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 3fg1_1_B DATA FIRST_RESID 373 DATA SEQUENCE HAIYNVEVET GDREHAGTDA TITIRITGAK GRTDYLKLDK GSXXXFEAGS DATA SEQUENCE KEQYTVQGFD VGDIQLIELH SDGGGYWSGD PDWFVNRVII ISSTQDRVYS DATA SEQUENCE FPCFRWVIKD MVLFPGEATL PFNEVPAIVS EQRQKELEQR KLTYQWDYVS DATA SEQUENCE DDMPGNIKAK THDDLPRDVQ FTDEKSRSYQ ESRKAALVNL GIGSLFTMFE DATA SEQUENCE NWDSYDDYHI LYRNWILGGT PNMADRWHED RWFGYQFLNG ANPVILTRCD DATA SEQUENCE ALPSNFPVTN EHVNASLDRG KNLDEEIKDG HIYIVDFKVL VGAKSYGGPV DATA SEQUENCE LEDIGYKXXX XXXXXXADIR YCAAPLALFY VNKLGHLMPI AIQINQEPGP DATA SEQUENCE ENPIWTPHEE NEHDWMMAKF WLGVAESNFH QLNTHLLRTH LTTESFALST DATA SEQUENCE WRNLASAHPI FKLLQPHIYG VLAIDTIGRK ELIGSGGIVD QSLSLGGGGH DATA SEQUENCE VTFMEKCFKE VNLQDYHLPN ALKKRGVDDP SKLPGFYYRD DGLALWEAIE DATA SEQUENCE TFIGEIIAIF YKNDDDVKRD NEIQSWIYDV HKNGWRVNPG HQDHGVPASF DATA SEQUENCE ESREQLKEVL TSLVFTFSCQ HAAVNFSQKD HYGFTPNAPA ILRHPPPKKK DATA SEQUENCE GEATLQSILS TLPSKSQAAK AIATVYILTK FSEDERYLGN YSATAWEDKD DATA SEQUENCE ALDAINRFQD KLEDISKKIK QRNENLEVPY IYLLPERIPN GTAI 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 373 H HA 0.000 nan 4.556 nan 0.000 0.296 373 H C 0.000 175.241 175.328 -0.145 0.000 0.993 373 H CA 0.000 56.001 56.048 -0.078 0.000 1.023 373 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 374 A N 2.523 125.232 122.820 -0.186 0.000 2.380 374 A HA 0.651 4.902 4.320 -0.114 0.000 0.315 374 A C -1.021 176.283 177.584 -0.467 0.000 1.101 374 A CA -0.639 51.160 52.037 -0.397 0.000 0.771 374 A CB 1.293 19.891 19.000 -0.670 0.000 1.287 374 A HN 0.349 nan 8.150 nan 0.000 0.436 375 I N 1.377 121.704 120.570 -0.405 0.000 2.336 375 I HA 0.282 4.383 4.170 -0.114 0.000 0.292 375 I C -1.107 174.789 176.117 -0.367 0.000 0.991 375 I CA -0.476 60.671 61.300 -0.255 0.000 1.227 375 I CB 0.231 38.177 38.000 -0.090 0.000 1.366 375 I HN 0.535 nan 8.210 nan 0.000 0.466 376 Y N 4.716 125.038 120.300 0.036 0.000 2.331 376 Y HA 0.345 4.828 4.550 -0.113 0.000 0.338 376 Y C 0.672 176.621 175.900 0.082 0.000 0.976 376 Y CA -0.675 57.457 58.100 0.054 0.000 1.137 376 Y CB 0.941 39.420 38.460 0.031 0.000 1.172 376 Y HN 0.433 nan 8.280 nan 0.000 0.478 377 N N 3.322 122.153 118.700 0.218 0.000 2.422 377 N HA 0.298 4.970 4.740 -0.114 0.000 0.264 377 N C -1.188 174.453 175.510 0.218 0.000 1.063 377 N CA -0.157 53.004 53.050 0.186 0.000 0.959 377 N CB 1.962 40.529 38.487 0.134 0.000 1.087 377 N HN 0.275 nan 8.380 nan 0.000 0.483 378 V N 1.896 121.950 119.914 0.234 0.000 2.444 378 V HA 0.286 4.338 4.120 -0.114 0.000 0.294 378 V C 0.125 176.388 176.094 0.282 0.000 1.022 378 V CA -0.751 61.694 62.300 0.242 0.000 0.850 378 V CB 1.944 33.906 31.823 0.232 0.000 0.992 378 V HN 0.601 nan 8.190 nan 0.000 0.426 379 E N 3.723 124.064 120.200 0.235 0.000 2.187 379 E HA 0.677 4.959 4.350 -0.114 0.000 0.268 379 E C -1.734 175.004 176.600 0.231 0.000 0.896 379 E CA -0.492 56.048 56.400 0.232 0.000 0.766 379 E CB 2.162 31.959 29.700 0.162 0.000 1.142 379 E HN 0.481 nan 8.360 nan 0.000 0.408 380 V N 4.291 124.391 119.914 0.310 0.000 2.495 380 V HA 0.286 4.338 4.120 -0.114 0.000 0.298 380 V C -0.641 175.574 176.094 0.202 0.000 1.031 380 V CA -0.768 61.670 62.300 0.231 0.000 0.871 380 V CB 1.709 33.738 31.823 0.343 0.000 0.988 380 V HN 0.711 nan 8.190 nan 0.000 0.432 381 E N 2.510 122.737 120.200 0.044 0.000 2.113 381 E HA 0.433 4.714 4.350 -0.114 0.000 0.273 381 E C -0.664 175.895 176.600 -0.069 0.000 0.924 381 E CA -0.456 55.961 56.400 0.027 0.000 0.764 381 E CB 1.642 31.337 29.700 -0.007 0.000 1.104 381 E HN 0.604 nan 8.360 nan 0.000 0.406 382 T N 1.897 116.485 114.554 0.056 0.000 2.845 382 T HA 0.314 4.595 4.350 -0.114 0.000 0.288 382 T C 0.596 175.320 174.700 0.040 0.000 0.980 382 T CA -0.642 61.479 62.100 0.036 0.000 1.071 382 T CB 1.266 70.321 68.868 0.311 0.000 0.941 382 T HN 0.569 nan 8.240 nan 0.000 0.487 383 G N 1.570 110.401 108.800 0.051 0.000 2.559 383 G HA2 0.071 3.962 3.960 -0.114 0.000 0.235 383 G HA3 0.071 3.962 3.960 -0.114 0.000 0.235 383 G C 0.243 175.171 174.900 0.047 0.000 1.266 383 G CA -0.429 44.739 45.100 0.115 0.000 0.847 383 G HN 0.791 nan 8.290 nan 0.000 0.583 384 D N -0.853 119.556 120.400 0.014 0.000 2.347 384 D HA 0.006 4.577 4.640 -0.114 0.000 0.215 384 D C 1.583 177.872 176.300 -0.018 0.000 0.976 384 D CA 0.200 54.207 54.000 0.011 0.000 0.884 384 D CB 0.191 41.000 40.800 0.014 0.000 0.915 384 D HN 0.562 nan 8.370 nan 0.000 0.526 385 R N 1.372 121.818 120.500 -0.090 0.000 2.734 385 R HA 0.102 4.373 4.340 -0.114 0.000 0.266 385 R C 0.244 176.565 176.300 0.036 0.000 1.044 385 R CA -0.319 55.739 56.100 -0.069 0.000 1.128 385 R CB 0.469 30.660 30.300 -0.183 0.000 1.010 385 R HN 0.018 nan 8.270 nan 0.000 0.461 386 E N 1.222 121.463 120.200 0.069 0.000 2.452 386 E HA -0.178 4.103 4.350 -0.114 0.000 0.261 386 E C -0.408 176.329 176.600 0.229 0.000 0.987 386 E CA 0.274 56.712 56.400 0.063 0.000 0.926 386 E CB 0.198 29.929 29.700 0.051 0.000 0.934 386 E HN 0.774 nan 8.360 nan 0.000 0.452 387 H N 0.648 119.853 119.070 0.225 0.000 3.211 387 H HA -0.244 4.250 4.556 -0.103 0.000 0.240 387 H C 0.934 176.552 175.328 0.482 0.000 1.148 387 H CA 0.792 57.022 56.048 0.303 0.000 1.160 387 H CB -1.722 28.193 29.762 0.255 0.000 1.232 387 H HN 0.569 nan 8.280 nan 0.000 0.321 388 A N 0.735 123.810 122.820 0.425 0.000 1.972 388 A HA 0.121 4.373 4.320 -0.114 0.000 0.219 388 A C 1.996 179.836 177.584 0.426 0.000 1.169 388 A CA 1.346 53.568 52.037 0.309 0.000 0.635 388 A CB -0.392 18.676 19.000 0.114 0.000 0.810 388 A HN 0.498 nan 8.150 nan 0.000 0.446 389 G N -1.846 107.173 108.800 0.364 0.000 2.651 389 G HA2 0.440 4.332 3.960 -0.114 0.000 0.260 389 G HA3 0.440 4.332 3.960 -0.114 0.000 0.260 389 G C -0.251 174.817 174.900 0.280 0.000 1.216 389 G CA 0.668 45.970 45.100 0.336 0.000 0.913 389 G HN 0.384 nan 8.290 nan 0.000 0.535 390 T N -1.634 112.975 114.554 0.092 0.000 2.894 390 T HA 0.408 4.690 4.350 -0.114 0.000 0.309 390 T C -0.769 173.922 174.700 -0.016 0.000 1.208 390 T CA -0.190 61.902 62.100 -0.014 0.000 1.016 390 T CB 1.807 70.528 68.868 -0.246 0.000 1.192 390 T HN 0.579 nan 8.240 nan 0.000 0.491 391 D N 1.426 121.828 120.400 0.003 0.000 2.501 391 D HA 0.382 4.954 4.640 -0.114 0.000 0.224 391 D C 0.738 177.027 176.300 -0.020 0.000 1.202 391 D CA -0.284 53.719 54.000 0.005 0.000 0.829 391 D CB -0.028 40.796 40.800 0.039 0.000 1.023 391 D HN 0.640 nan 8.370 nan 0.000 0.499 392 A N 0.219 123.000 122.820 -0.066 0.000 2.448 392 A HA 0.408 4.659 4.320 -0.114 0.000 0.239 392 A C 0.577 178.106 177.584 -0.092 0.000 1.080 392 A CA 0.008 51.996 52.037 -0.082 0.000 0.779 392 A CB -0.026 18.904 19.000 -0.116 0.000 1.026 392 A HN 0.179 nan 8.150 nan 0.000 0.499 393 T N 2.837 117.350 114.554 -0.068 0.000 2.779 393 T HA 0.389 4.671 4.350 -0.114 0.000 0.296 393 T C 0.073 174.724 174.700 -0.081 0.000 0.938 393 T CA 0.242 62.311 62.100 -0.051 0.000 1.119 393 T CB -0.196 68.662 68.868 -0.017 0.000 0.891 393 T HN 0.335 nan 8.240 nan 0.000 0.526 394 I N 4.447 124.972 120.570 -0.074 0.000 2.412 394 I HA 0.414 4.516 4.170 -0.114 0.000 0.296 394 I C 0.871 176.993 176.117 0.008 0.000 0.987 394 I CA -0.683 60.571 61.300 -0.077 0.000 1.180 394 I CB 1.411 39.293 38.000 -0.196 0.000 1.340 394 I HN 0.673 nan 8.210 nan 0.000 0.455 395 T N 4.273 118.877 114.554 0.083 0.000 2.916 395 T HA 0.796 5.078 4.350 -0.114 0.000 0.292 395 T C -0.495 174.356 174.700 0.251 0.000 1.055 395 T CA -0.784 61.415 62.100 0.165 0.000 1.009 395 T CB 2.712 71.707 68.868 0.213 0.000 1.118 395 T HN 0.491 nan 8.240 nan 0.000 0.497 396 I N 0.495 121.186 120.570 0.201 0.000 2.582 396 I HA 0.629 4.731 4.170 -0.114 0.000 0.292 396 I C -0.868 175.172 176.117 -0.127 0.000 1.066 396 I CA -1.187 60.152 61.300 0.066 0.000 1.053 396 I CB 2.010 39.979 38.000 -0.053 0.000 1.241 396 I HN 0.755 nan 8.210 nan 0.000 0.421 397 R N 7.695 127.965 120.500 -0.384 0.000 2.445 397 R HA 0.673 4.944 4.340 -0.114 0.000 0.308 397 R C -1.601 174.453 176.300 -0.410 0.000 0.961 397 R CA -0.547 55.189 56.100 -0.607 0.000 0.862 397 R CB 1.336 30.944 30.300 -1.153 0.000 1.144 397 R HN 0.627 nan 8.270 nan 0.000 0.447 398 I N 3.187 123.525 120.570 -0.387 0.000 2.377 398 I HA 0.302 4.403 4.170 -0.114 0.000 0.293 398 I C -0.330 175.640 176.117 -0.245 0.000 0.987 398 I CA -0.660 60.414 61.300 -0.377 0.000 1.185 398 I CB 2.267 39.906 38.000 -0.602 0.000 1.341 398 I HN 0.553 nan 8.210 nan 0.000 0.455 399 T N 4.252 118.704 114.554 -0.169 0.000 2.807 399 T HA 0.724 5.005 4.350 -0.114 0.000 0.279 399 T C 0.115 174.785 174.700 -0.050 0.000 0.993 399 T CA -0.601 61.451 62.100 -0.080 0.000 0.970 399 T CB 1.907 70.743 68.868 -0.054 0.000 0.950 399 T HN 0.893 nan 8.240 nan 0.000 0.441 400 G N 0.231 109.030 108.800 -0.002 0.000 2.827 400 G HA2 0.615 4.507 3.960 -0.114 0.000 0.296 400 G HA3 0.615 4.507 3.960 -0.114 0.000 0.296 400 G C 0.870 175.794 174.900 0.041 0.000 1.362 400 G CA -0.112 44.992 45.100 0.006 0.000 0.809 400 G HN 0.696 nan 8.290 nan 0.000 0.522 401 A N -0.363 122.482 122.820 0.042 0.000 1.948 401 A HA -0.057 4.194 4.320 -0.114 0.000 0.220 401 A C 1.945 179.573 177.584 0.074 0.000 1.177 401 A CA 2.159 54.224 52.037 0.047 0.000 0.636 401 A CB -0.381 18.645 19.000 0.044 0.000 0.815 401 A HN 0.508 nan 8.150 nan 0.000 0.449 402 K N -1.582 118.884 120.400 0.111 0.000 2.367 402 K HA 0.371 4.623 4.320 -0.114 0.000 0.194 402 K C 0.855 177.665 176.600 0.350 0.000 1.027 402 K CA 0.438 56.833 56.287 0.181 0.000 1.075 402 K CB 0.399 32.968 32.500 0.115 0.000 0.845 402 K HN 0.587 nan 8.250 nan 0.000 0.529 403 G N 1.946 110.923 108.800 0.295 0.000 2.347 403 G HA2 -0.012 3.880 3.960 -0.114 0.000 0.224 403 G HA3 -0.012 3.880 3.960 -0.114 0.000 0.224 403 G C -1.757 173.241 174.900 0.163 0.000 1.318 403 G CA -0.912 44.313 45.100 0.208 0.000 1.016 403 G HN 0.219 nan 8.290 nan 0.000 0.469 404 R N -1.060 119.460 120.500 0.033 0.000 2.680 404 R HA 0.726 4.998 4.340 -0.114 0.000 0.269 404 R C -0.051 176.230 176.300 -0.031 0.000 1.026 404 R CA -0.019 56.083 56.100 0.003 0.000 0.889 404 R CB 1.299 31.544 30.300 -0.091 0.000 1.241 404 R HN 1.128 nan 8.270 nan 0.000 0.463 405 T N -0.962 113.572 114.554 -0.034 0.000 2.816 405 T HA 0.248 4.529 4.350 -0.114 0.000 0.282 405 T C 0.069 174.693 174.700 -0.128 0.000 0.993 405 T CA -0.684 61.396 62.100 -0.034 0.000 0.994 405 T CB 0.724 69.535 68.868 -0.095 0.000 1.025 405 T HN 0.523 nan 8.240 nan 0.000 0.529 406 D N -0.185 120.171 120.400 -0.074 0.000 2.363 406 D HA 0.119 4.691 4.640 -0.114 0.000 0.240 406 D C -0.266 175.967 176.300 -0.111 0.000 1.236 406 D CA 0.078 54.043 54.000 -0.060 0.000 0.927 406 D CB 0.083 40.895 40.800 0.021 0.000 1.150 406 D HN 0.576 nan 8.370 nan 0.000 0.458 407 Y N 0.111 120.386 120.300 -0.042 0.000 2.569 407 Y HA 0.093 4.576 4.550 -0.112 0.000 0.332 407 Y C 0.394 176.284 175.900 -0.018 0.000 1.120 407 Y CA 0.109 58.185 58.100 -0.040 0.000 1.416 407 Y CB 0.203 38.635 38.460 -0.046 0.000 1.210 407 Y HN -0.043 nan 8.280 nan 0.000 0.528 408 L N 5.222 126.508 121.223 0.106 0.000 2.317 408 L HA 0.439 4.710 4.340 -0.114 0.000 0.281 408 L C -0.292 176.625 176.870 0.079 0.000 1.024 408 L CA -1.152 53.733 54.840 0.074 0.000 0.810 408 L CB 1.362 43.441 42.059 0.034 0.000 1.240 408 L HN 0.472 nan 8.230 nan 0.000 0.427 409 K N 3.965 124.406 120.400 0.068 0.000 2.298 409 K HA 0.401 4.653 4.320 -0.114 0.000 0.280 409 K C -0.810 175.784 176.600 -0.010 0.000 1.032 409 K CA -0.204 56.107 56.287 0.040 0.000 0.958 409 K CB 0.951 33.478 32.500 0.045 0.000 0.978 409 K HN 0.469 nan 8.250 nan 0.000 0.472 410 L N 3.281 124.438 121.223 -0.110 0.000 2.371 410 L HA 0.204 4.475 4.340 -0.114 0.000 0.262 410 L C -0.326 176.366 176.870 -0.298 0.000 1.054 410 L CA -0.194 54.386 54.840 -0.433 0.000 0.924 410 L CB 0.452 42.152 42.059 -0.600 0.000 1.295 410 L HN 0.685 nan 8.230 nan 0.000 0.441 411 D N 2.440 122.820 120.400 -0.033 0.000 3.078 411 D HA 0.153 4.724 4.640 -0.114 0.000 0.363 411 D C -0.658 175.692 176.300 0.083 0.000 1.391 411 D CA -0.276 53.735 54.000 0.019 0.000 0.754 411 D CB 0.592 41.400 40.800 0.013 0.000 1.238 411 D HN 0.352 nan 8.370 nan 0.000 0.500 412 K N -0.039 120.473 120.400 0.185 0.000 2.507 412 K HA 0.742 4.994 4.320 -0.114 0.000 0.252 412 K C 0.323 176.926 176.600 0.005 0.000 0.943 412 K CA -0.921 55.412 56.287 0.076 0.000 0.808 412 K CB 2.069 34.602 32.500 0.056 0.000 1.142 412 K HN 0.112 nan 8.250 nan 0.000 0.426 413 G N 1.555 110.318 108.800 -0.061 0.000 2.728 413 G HA2 -0.199 3.692 3.960 -0.114 0.000 0.294 413 G HA3 -0.199 3.692 3.960 -0.114 0.000 0.294 413 G C -0.354 174.437 174.900 -0.181 0.000 1.342 413 G CA -0.387 44.644 45.100 -0.114 0.000 0.866 413 G HN 0.990 nan 8.290 nan 0.000 0.534 419 E N 1.356 121.704 120.200 0.246 0.000 2.318 419 E HA 0.568 4.850 4.350 -0.114 0.000 0.265 419 E C 0.163 176.892 176.600 0.215 0.000 1.069 419 E CA -0.492 56.021 56.400 0.188 0.000 0.893 419 E CB 1.536 31.305 29.700 0.115 0.000 1.076 419 E HN 0.502 nan 8.360 nan 0.000 0.414 420 A N 0.684 123.608 122.820 0.173 0.000 2.584 420 A HA 0.303 4.554 4.320 -0.114 0.000 0.239 420 A C 1.278 178.933 177.584 0.118 0.000 1.043 420 A CA 1.051 53.175 52.037 0.145 0.000 0.756 420 A CB -0.659 18.401 19.000 0.100 0.000 0.963 420 A HN 0.816 nan 8.150 nan 0.000 0.511 421 G N 1.602 110.470 108.800 0.113 0.000 2.179 421 G HA2 -0.190 3.701 3.960 -0.114 0.000 0.260 421 G HA3 -0.190 3.701 3.960 -0.114 0.000 0.260 421 G C 0.571 175.535 174.900 0.106 0.000 0.977 421 G CA 0.953 46.108 45.100 0.091 0.000 0.641 421 G HN 2.223 nan 8.290 nan 0.000 0.533 422 S N -0.631 115.158 115.700 0.149 0.000 2.592 422 S HA 0.659 5.060 4.470 -0.114 0.000 0.271 422 S C -0.104 174.600 174.600 0.173 0.000 1.326 422 S CA -0.098 58.197 58.200 0.159 0.000 1.024 422 S CB 1.934 65.254 63.200 0.200 0.000 0.921 422 S HN 0.399 nan 8.310 nan 0.000 0.527 423 K N 1.685 122.169 120.400 0.139 0.000 2.483 423 K HA 0.375 4.627 4.320 -0.114 0.000 0.256 423 K C -0.954 175.725 176.600 0.132 0.000 0.961 423 K CA -0.477 55.895 56.287 0.142 0.000 0.873 423 K CB 1.100 33.658 32.500 0.097 0.000 1.107 423 K HN 0.587 nan 8.250 nan 0.000 0.432 424 E N 2.559 122.883 120.200 0.207 0.000 2.238 424 E HA 0.267 4.548 4.350 -0.114 0.000 0.267 424 E C -0.849 175.788 176.600 0.061 0.000 0.887 424 E CA -0.685 55.785 56.400 0.117 0.000 0.769 424 E CB 2.350 32.193 29.700 0.239 0.000 1.187 424 E HN 0.445 nan 8.360 nan 0.000 0.416 425 Q N 1.545 121.187 119.800 -0.263 0.000 2.342 425 Q HA 0.544 4.815 4.340 -0.114 0.000 0.267 425 Q C -1.142 174.447 176.000 -0.684 0.000 1.038 425 Q CA -0.675 54.992 55.803 -0.227 0.000 0.832 425 Q CB 1.878 30.551 28.738 -0.109 0.000 1.323 425 Q HN 0.421 nan 8.270 nan 0.000 0.448 426 Y N -0.309 120.044 120.300 0.088 0.000 2.512 426 Y HA 0.491 4.973 4.550 -0.113 0.000 0.348 426 Y C -0.312 175.641 175.900 0.088 0.000 0.990 426 Y CA -0.853 57.295 58.100 0.080 0.000 1.033 426 Y CB 2.633 41.156 38.460 0.106 0.000 1.259 426 Y HN 0.402 nan 8.280 nan 0.000 0.461 427 T N 3.183 117.859 114.554 0.204 0.000 2.864 427 T HA 0.579 4.860 4.350 -0.114 0.000 0.299 427 T C -0.877 173.926 174.700 0.171 0.000 1.011 427 T CA -0.694 61.501 62.100 0.158 0.000 0.975 427 T CB 0.412 69.336 68.868 0.092 0.000 0.962 427 T HN 0.544 nan 8.240 nan 0.000 0.448 428 V N 1.593 121.622 119.914 0.192 0.000 2.960 428 V HA 0.790 4.842 4.120 -0.114 0.000 0.315 428 V C -0.878 175.331 176.094 0.192 0.000 1.087 428 V CA -1.102 61.307 62.300 0.183 0.000 0.982 428 V CB 2.155 34.082 31.823 0.174 0.000 1.039 428 V HN 0.829 nan 8.190 nan 0.000 0.437 429 Q N 0.900 120.793 119.800 0.156 0.000 2.337 429 Q HA 0.777 5.048 4.340 -0.114 0.000 0.270 429 Q C -0.482 175.552 176.000 0.057 0.000 1.043 429 Q CA -0.030 55.839 55.803 0.111 0.000 0.794 429 Q CB 2.096 30.913 28.738 0.131 0.000 1.281 429 Q HN 1.405 nan 8.270 nan 0.000 0.446 430 G N 1.821 110.566 108.800 -0.091 0.000 2.606 430 G HA2 0.290 4.181 3.960 -0.114 0.000 0.300 430 G HA3 0.290 4.181 3.960 -0.114 0.000 0.300 430 G C -1.702 172.846 174.900 -0.587 0.000 1.360 430 G CA -0.981 43.923 45.100 -0.327 0.000 0.783 430 G HN 0.663 nan 8.290 nan 0.000 0.484 431 F N 1.191 120.866 119.950 -0.459 0.000 2.604 431 F HA 0.188 4.647 4.527 -0.114 0.000 0.390 431 F C 0.579 176.397 175.800 0.030 0.000 1.053 431 F CA 0.116 58.038 58.000 -0.130 0.000 1.256 431 F CB 0.715 39.702 39.000 -0.021 0.000 0.996 431 F HN 0.343 nan 8.300 nan 0.000 0.564 432 D N 5.813 125.781 120.400 -0.721 0.000 2.344 432 D HA 0.074 4.646 4.640 -0.114 0.000 0.253 432 D C 0.852 176.785 176.300 -0.611 0.000 1.255 432 D CA -0.091 53.614 54.000 -0.492 0.000 0.894 432 D CB 0.919 41.488 40.800 -0.385 0.000 1.067 432 D HN 0.399 nan 8.370 nan 0.000 0.492 433 V N 2.258 122.117 119.914 -0.092 0.000 3.623 433 V HA 0.378 4.429 4.120 -0.114 0.000 0.271 433 V C 1.331 177.442 176.094 0.028 0.000 1.248 433 V CA 0.664 62.994 62.300 0.051 0.000 1.156 433 V CB -0.984 30.912 31.823 0.122 0.000 0.870 433 V HN 0.744 nan 8.190 nan 0.000 0.453 434 G N 1.237 110.031 108.800 -0.009 0.000 2.528 434 G HA2 -0.371 3.521 3.960 -0.114 0.000 0.262 434 G HA3 -0.371 3.521 3.960 -0.114 0.000 0.262 434 G C -0.267 174.675 174.900 0.071 0.000 1.200 434 G CA 0.459 45.573 45.100 0.024 0.000 0.951 434 G HN 0.886 nan 8.290 nan 0.000 0.566 435 D N 0.819 121.271 120.400 0.087 0.000 2.401 435 D HA 0.380 4.952 4.640 -0.114 0.000 0.254 435 D C 1.048 177.361 176.300 0.022 0.000 1.192 435 D CA -0.091 53.996 54.000 0.145 0.000 0.885 435 D CB 0.038 40.928 40.800 0.149 0.000 1.147 435 D HN 0.520 nan 8.370 nan 0.000 0.478 436 I N 3.791 124.225 120.570 -0.226 0.000 2.496 436 I HA 0.009 4.111 4.170 -0.114 0.000 0.285 436 I C 1.313 177.329 176.117 -0.168 0.000 1.080 436 I CA 0.173 61.234 61.300 -0.399 0.000 1.404 436 I CB 1.051 38.511 38.000 -0.900 0.000 1.403 436 I HN 0.541 nan 8.210 nan 0.000 0.539 437 Q N 5.772 125.547 119.800 -0.041 0.000 2.431 437 Q HA 0.299 4.571 4.340 -0.114 0.000 0.244 437 Q C -0.694 175.383 176.000 0.129 0.000 0.880 437 Q CA 0.204 56.022 55.803 0.025 0.000 0.954 437 Q CB 0.879 29.610 28.738 -0.010 0.000 1.105 437 Q HN 0.653 nan 8.270 nan 0.000 0.558 438 L N -1.959 119.365 121.223 0.168 0.000 2.710 438 L HA 0.622 4.894 4.340 -0.114 0.000 0.260 438 L C -1.303 175.599 176.870 0.053 0.000 0.993 438 L CA -1.293 53.727 54.840 0.299 0.000 0.877 438 L CB 1.247 43.524 42.059 0.363 0.000 1.461 438 L HN 0.041 nan 8.230 nan 0.000 0.413 439 I N -2.172 118.346 120.570 -0.086 0.000 2.892 439 I HA 0.836 4.938 4.170 -0.114 0.000 0.306 439 I C -1.153 174.843 176.117 -0.201 0.000 1.078 439 I CA -0.600 60.519 61.300 -0.302 0.000 1.032 439 I CB 2.503 40.108 38.000 -0.658 0.000 1.229 439 I HN 0.775 nan 8.210 nan 0.000 0.435 440 E N 3.797 123.888 120.200 -0.181 0.000 2.224 440 E HA 0.577 4.858 4.350 -0.114 0.000 0.265 440 E C -1.472 175.141 176.600 0.021 0.000 0.878 440 E CA -0.661 55.702 56.400 -0.062 0.000 0.759 440 E CB 2.934 32.638 29.700 0.006 0.000 1.164 440 E HN 0.470 nan 8.360 nan 0.000 0.414 441 L N 2.619 123.863 121.223 0.036 0.000 2.325 441 L HA 0.465 4.737 4.340 -0.114 0.000 0.279 441 L C -0.413 176.582 176.870 0.209 0.000 1.054 441 L CA -0.704 54.200 54.840 0.107 0.000 0.804 441 L CB 0.846 42.913 42.059 0.014 0.000 1.200 441 L HN 0.552 nan 8.230 nan 0.000 0.436 442 H N 1.465 120.604 119.070 0.115 0.000 2.589 442 H HA 0.435 4.924 4.556 -0.113 0.000 0.351 442 H C -0.974 174.344 175.328 -0.016 0.000 1.074 442 H CA -0.363 55.673 56.048 -0.020 0.000 1.203 442 H CB 1.969 31.549 29.762 -0.304 0.000 1.558 442 H HN 0.486 nan 8.280 nan 0.000 0.522 443 S N 2.489 117.820 115.700 -0.614 0.000 2.454 443 S HA 0.127 4.529 4.470 -0.114 0.000 0.306 443 S C 0.500 174.707 174.600 -0.654 0.000 1.100 443 S CA -0.539 57.389 58.200 -0.453 0.000 1.087 443 S CB 0.716 63.808 63.200 -0.179 0.000 1.019 443 S HN 0.842 nan 8.310 nan 0.000 0.480 444 D N 3.227 123.428 120.400 -0.333 0.000 2.363 444 D HA 0.110 4.681 4.640 -0.114 0.000 0.226 444 D C 1.312 177.544 176.300 -0.113 0.000 1.020 444 D CA 0.862 54.766 54.000 -0.161 0.000 0.892 444 D CB -0.621 40.154 40.800 -0.041 0.000 0.900 444 D HN 1.061 nan 8.370 nan 0.000 0.531 445 G N -0.643 108.081 108.800 -0.127 0.000 2.143 445 G HA2 0.017 3.909 3.960 -0.114 0.000 0.249 445 G HA3 0.017 3.909 3.960 -0.114 0.000 0.249 445 G C 0.828 175.698 174.900 -0.049 0.000 0.981 445 G CA 0.391 45.445 45.100 -0.075 0.000 0.665 445 G HN 1.366 nan 8.290 nan 0.000 0.528 446 G N -1.773 107.000 108.800 -0.044 0.000 2.796 446 G HA2 0.470 4.362 3.960 -0.114 0.000 0.571 446 G HA3 0.470 4.362 3.960 -0.114 0.000 0.571 446 G C 0.773 175.670 174.900 -0.005 0.000 1.370 446 G CA 0.562 45.652 45.100 -0.017 0.000 0.856 446 G HN 2.050 nan 8.290 nan 0.000 0.538 447 G N -2.034 106.779 108.800 0.023 0.000 2.828 447 G HA2 0.610 4.502 3.960 -0.114 0.000 0.244 447 G HA3 0.610 4.502 3.960 -0.114 0.000 0.244 447 G C 0.787 175.683 174.900 -0.007 0.000 1.365 447 G CA 0.535 45.653 45.100 0.031 0.000 1.041 447 G HN 1.291 nan 8.290 nan 0.000 0.560 448 Y N -0.736 119.451 120.300 -0.187 0.000 2.139 448 Y HA -0.243 4.242 4.550 -0.109 0.000 0.282 448 Y C 2.214 177.867 175.900 -0.411 0.000 1.179 448 Y CA 2.209 60.070 58.100 -0.398 0.000 1.161 448 Y CB -0.023 38.039 38.460 -0.664 0.000 0.970 448 Y HN 0.497 nan 8.280 nan 0.000 0.511 449 W N -0.077 121.246 121.300 0.038 0.000 3.139 449 W HA 0.185 4.777 4.660 -0.112 0.000 0.260 449 W C 0.743 177.235 176.519 -0.044 0.000 1.312 449 W CA 0.045 57.377 57.345 -0.020 0.000 1.606 449 W CB -0.125 29.380 29.460 0.075 0.000 1.118 449 W HN -0.269 nan 8.180 nan 0.000 0.675 450 S N 1.097 116.867 115.700 0.116 0.000 2.509 450 S HA 0.141 4.542 4.470 -0.114 0.000 0.287 450 S C 1.369 175.992 174.600 0.038 0.000 1.248 450 S CA 0.330 58.576 58.200 0.077 0.000 1.089 450 S CB 1.043 64.265 63.200 0.036 0.000 0.900 450 S HN 0.385 nan 8.310 nan 0.000 0.496 451 G N 2.096 110.938 108.800 0.069 0.000 2.404 451 G HA2 -0.047 3.845 3.960 -0.114 0.000 0.214 451 G HA3 -0.047 3.845 3.960 -0.114 0.000 0.214 451 G C 0.138 175.046 174.900 0.012 0.000 1.189 451 G CA 0.407 45.536 45.100 0.049 0.000 0.789 451 G HN 0.673 nan 8.290 nan 0.000 0.533 452 D N -0.732 119.698 120.400 0.049 0.000 2.517 452 D HA 0.313 4.885 4.640 -0.114 0.000 0.263 452 D C -1.446 174.906 176.300 0.086 0.000 1.233 452 D CA -1.349 52.665 54.000 0.023 0.000 0.849 452 D CB 1.520 42.314 40.800 -0.011 0.000 1.261 452 D HN 0.008 nan 8.370 nan 0.000 0.516 453 P HA -0.058 nan 4.420 nan 0.000 0.222 453 P C -0.250 177.130 177.300 0.133 0.000 1.147 453 P CA 0.433 63.568 63.100 0.058 0.000 0.790 453 P CB 0.229 31.934 31.700 0.008 0.000 0.780 454 D N 0.033 120.531 120.400 0.163 0.000 2.443 454 D HA 0.047 4.619 4.640 -0.114 0.000 0.239 454 D C -0.457 176.216 176.300 0.622 0.000 1.136 454 D CA 0.490 54.678 54.000 0.313 0.000 0.879 454 D CB 0.113 41.006 40.800 0.154 0.000 1.195 454 D HN 0.104 nan 8.370 nan 0.000 0.443 455 W N 4.375 125.914 121.300 0.397 0.000 2.554 455 W HA 0.374 4.960 4.660 -0.123 0.000 0.324 455 W C -1.829 174.692 176.519 0.003 0.000 1.018 455 W CA -1.607 55.851 57.345 0.187 0.000 1.243 455 W CB 0.421 29.863 29.460 -0.029 0.000 1.345 455 W HN 0.191 nan 8.180 nan 0.000 0.441 456 F N 7.195 126.899 119.950 -0.410 0.000 2.390 456 F HA 0.527 4.981 4.527 -0.121 0.000 0.361 456 F C -0.596 174.716 175.800 -0.815 0.000 1.124 456 F CA -0.485 56.918 58.000 -0.994 0.000 1.149 456 F CB 0.607 38.677 39.000 -1.550 0.000 1.160 456 F HN -0.032 nan 8.300 nan 0.000 0.501 457 V N 7.733 126.884 119.914 -1.272 0.000 2.394 457 V HA 0.154 4.205 4.120 -0.114 0.000 0.282 457 V C 0.712 176.159 176.094 -1.079 0.000 1.031 457 V CA -0.366 61.249 62.300 -1.142 0.000 0.881 457 V CB 1.296 32.351 31.823 -1.279 0.000 0.982 457 V HN 0.865 nan 8.190 nan 0.000 0.451 458 N N 3.288 121.490 118.700 -0.830 0.000 2.092 458 N HA 0.027 4.699 4.740 -0.114 0.000 0.189 458 N C 0.847 175.733 175.510 -1.040 0.000 1.040 458 N CA 0.727 53.046 53.050 -1.217 0.000 0.845 458 N CB 0.254 38.284 38.487 -0.762 0.000 1.017 458 N HN 0.603 nan 8.380 nan 0.000 0.426 459 R N 0.134 120.314 120.500 -0.533 0.000 2.663 459 R HA 0.398 4.669 4.340 -0.114 0.000 0.267 459 R C -2.216 174.003 176.300 -0.134 0.000 1.038 459 R CA -0.443 55.504 56.100 -0.254 0.000 0.886 459 R CB 1.443 31.685 30.300 -0.095 0.000 1.249 459 R HN -0.197 nan 8.270 nan 0.000 0.463 460 V N 4.445 124.354 119.914 -0.007 0.000 2.604 460 V HA 0.572 4.624 4.120 -0.114 0.000 0.305 460 V C -0.305 175.943 176.094 0.256 0.000 1.043 460 V CA -0.676 61.659 62.300 0.059 0.000 0.888 460 V CB 1.840 33.617 31.823 -0.078 0.000 0.995 460 V HN 0.601 nan 8.190 nan 0.000 0.429 461 I N 5.127 125.836 120.570 0.232 0.000 2.465 461 I HA 0.583 4.684 4.170 -0.114 0.000 0.291 461 I C -0.834 175.460 176.117 0.295 0.000 1.014 461 I CA -0.395 61.077 61.300 0.286 0.000 1.093 461 I CB 1.994 40.106 38.000 0.187 0.000 1.267 461 I HN 0.408 nan 8.210 nan 0.000 0.431 462 I N 6.546 127.356 120.570 0.401 0.000 2.582 462 I HA 0.501 4.603 4.170 -0.114 0.000 0.292 462 I C -0.825 175.546 176.117 0.423 0.000 1.066 462 I CA -0.597 60.927 61.300 0.374 0.000 1.053 462 I CB 2.526 40.732 38.000 0.343 0.000 1.241 462 I HN 0.365 nan 8.210 nan 0.000 0.421 463 I N 3.923 124.691 120.570 0.329 0.000 2.436 463 I HA 0.285 4.387 4.170 -0.114 0.000 0.289 463 I C -0.036 176.249 176.117 0.281 0.000 1.010 463 I CA -0.365 61.104 61.300 0.282 0.000 1.098 463 I CB 2.101 40.197 38.000 0.161 0.000 1.266 463 I HN 0.517 nan 8.210 nan 0.000 0.434 464 S N 3.068 118.946 115.700 0.296 0.000 2.489 464 S HA 0.219 4.620 4.470 -0.114 0.000 0.291 464 S C 1.161 175.766 174.600 0.010 0.000 1.151 464 S CA -0.383 57.893 58.200 0.127 0.000 1.082 464 S CB 1.393 64.726 63.200 0.221 0.000 1.019 464 S HN 0.727 nan 8.310 nan 0.000 0.492 465 S N 2.588 118.216 115.700 -0.120 0.000 2.469 465 S HA -0.101 4.301 4.470 -0.114 0.000 0.238 465 S C 1.493 176.058 174.600 -0.059 0.000 0.998 465 S CA 1.296 59.448 58.200 -0.080 0.000 0.957 465 S CB -0.918 62.214 63.200 -0.113 0.000 0.764 465 S HN 0.949 nan 8.310 nan 0.000 0.514 466 T N -2.190 112.324 114.554 -0.066 0.000 3.069 466 T HA 0.261 4.543 4.350 -0.114 0.000 0.252 466 T C 0.321 175.031 174.700 0.017 0.000 1.053 466 T CA -0.399 61.680 62.100 -0.036 0.000 0.964 466 T CB 0.020 68.849 68.868 -0.066 0.000 1.005 466 T HN 0.225 nan 8.240 nan 0.000 0.532 467 Q N 1.194 121.030 119.800 0.060 0.000 2.375 467 Q HA 0.374 4.645 4.340 -0.114 0.000 0.271 467 Q C -1.213 174.820 176.000 0.055 0.000 1.074 467 Q CA -0.532 55.331 55.803 0.099 0.000 0.808 467 Q CB 2.029 30.913 28.738 0.243 0.000 1.327 467 Q HN 0.196 nan 8.270 nan 0.000 0.441 468 D N 1.717 122.125 120.400 0.013 0.000 2.889 468 D HA 0.186 4.757 4.640 -0.114 0.000 0.243 468 D C -0.103 176.150 176.300 -0.079 0.000 1.270 468 D CA 0.142 54.129 54.000 -0.022 0.000 0.838 468 D CB 0.454 41.241 40.800 -0.021 0.000 1.040 468 D HN 0.144 nan 8.370 nan 0.000 0.480 469 R N -0.542 119.870 120.500 -0.147 0.000 2.807 469 R HA 0.587 4.859 4.340 -0.114 0.000 0.276 469 R C -0.862 175.229 176.300 -0.348 0.000 0.979 469 R CA -0.882 55.007 56.100 -0.352 0.000 0.928 469 R CB 2.557 32.432 30.300 -0.710 0.000 1.191 469 R HN -0.170 nan 8.270 nan 0.000 0.471 470 V N 3.256 122.984 119.914 -0.310 0.000 2.347 470 V HA 0.292 4.344 4.120 -0.114 0.000 0.280 470 V C -1.045 174.906 176.094 -0.238 0.000 1.021 470 V CA -0.607 61.596 62.300 -0.161 0.000 0.847 470 V CB 0.751 32.542 31.823 -0.053 0.000 0.990 470 V HN 0.578 nan 8.190 nan 0.000 0.444 471 Y N 2.761 123.090 120.300 0.049 0.000 2.341 471 Y HA 0.481 4.962 4.550 -0.114 0.000 0.340 471 Y C 0.742 176.574 175.900 -0.113 0.000 0.997 471 Y CA 0.008 58.065 58.100 -0.072 0.000 1.149 471 Y CB 1.730 40.223 38.460 0.054 0.000 1.171 471 Y HN 0.555 nan 8.280 nan 0.000 0.494 472 S N 4.385 119.983 115.700 -0.170 0.000 2.449 472 S HA 0.629 5.031 4.470 -0.114 0.000 0.310 472 S C -1.315 173.120 174.600 -0.274 0.000 1.096 472 S CA -0.589 57.568 58.200 -0.071 0.000 1.095 472 S CB 0.043 63.242 63.200 -0.003 0.000 1.007 472 S HN 0.440 nan 8.310 nan 0.000 0.474 473 F N 6.268 126.249 119.950 0.052 0.000 2.359 473 F HA 0.395 4.854 4.527 -0.114 0.000 0.370 473 F C -2.018 173.755 175.800 -0.044 0.000 1.077 473 F CA -2.126 55.878 58.000 0.006 0.000 1.136 473 F CB 1.420 40.401 39.000 -0.031 0.000 1.387 473 F HN 0.353 nan 8.300 nan 0.000 0.468 474 P HA 0.101 nan 4.420 nan 0.000 0.275 474 P C -0.073 177.230 177.300 0.005 0.000 1.228 474 P CA -0.007 63.157 63.100 0.105 0.000 0.786 474 P CB 2.536 34.344 31.700 0.180 0.000 0.927 475 C N 2.353 121.581 119.300 -0.121 0.000 3.162 475 C HA 0.343 4.735 4.460 -0.114 0.000 0.220 475 C C 0.305 175.209 174.990 -0.144 0.000 2.475 475 C CA 0.091 58.962 59.018 -0.245 0.000 1.361 475 C CB -1.305 26.147 27.740 -0.480 0.000 1.251 475 C HN 0.549 nan 8.230 nan 0.000 0.734 476 F N 1.943 121.632 119.950 -0.435 0.000 3.071 476 F HA -0.109 4.349 4.527 -0.115 0.000 0.295 476 F C 0.297 175.790 175.800 -0.513 0.000 0.919 476 F CA 1.048 58.791 58.000 -0.428 0.000 1.050 476 F CB -1.482 37.493 39.000 -0.043 0.000 1.040 476 F HN 0.473 nan 8.300 nan 0.000 0.692 477 R N -2.077 117.897 120.500 -0.876 0.000 2.764 477 R HA 0.456 4.728 4.340 -0.114 0.000 0.270 477 R C -1.174 174.683 176.300 -0.739 0.000 1.014 477 R CA -1.134 54.698 56.100 -0.446 0.000 0.904 477 R CB 1.076 31.363 30.300 -0.022 0.000 1.236 477 R HN 0.091 nan 8.270 nan 0.000 0.466 478 W N 1.064 122.298 121.300 -0.111 0.000 2.304 478 W HA 0.260 4.876 4.660 -0.075 0.000 0.313 478 W C -0.020 176.438 176.519 -0.102 0.000 1.323 478 W CA -0.256 57.069 57.345 -0.034 0.000 1.223 478 W CB 0.793 30.326 29.460 0.122 0.000 1.237 478 W HN 0.057 nan 8.180 nan 0.000 0.535 479 V N 6.764 126.737 119.914 0.098 0.000 2.368 479 V HA 0.047 4.098 4.120 -0.114 0.000 0.266 479 V C 0.870 177.075 176.094 0.186 0.000 1.045 479 V CA -0.360 61.983 62.300 0.071 0.000 0.899 479 V CB 0.368 32.185 31.823 -0.010 0.000 1.006 479 V HN 0.534 nan 8.190 nan 0.000 0.470 480 I N 4.390 125.025 120.570 0.109 0.000 2.834 480 I HA 0.159 4.261 4.170 -0.114 0.000 0.239 480 I C 2.100 178.221 176.117 0.008 0.000 1.073 480 I CA 1.533 62.873 61.300 0.067 0.000 1.459 480 I CB -1.157 36.856 38.000 0.023 0.000 1.288 480 I HN 0.637 nan 8.210 nan 0.000 0.455 481 K N -0.078 120.312 120.400 -0.018 0.000 2.412 481 K HA 0.201 4.452 4.320 -0.114 0.000 0.201 481 K C 0.456 177.022 176.600 -0.057 0.000 1.275 481 K CA 0.440 56.678 56.287 -0.082 0.000 0.910 481 K CB 0.050 32.529 32.500 -0.035 0.000 1.346 481 K HN 0.323 nan 8.250 nan 0.000 0.490 482 D N -0.657 119.761 120.400 0.031 0.000 2.575 482 D HA 0.564 5.136 4.640 -0.114 0.000 0.236 482 D C -1.347 174.968 176.300 0.025 0.000 1.075 482 D CA -0.511 53.536 54.000 0.078 0.000 0.860 482 D CB 1.913 42.785 40.800 0.120 0.000 1.475 482 D HN 0.196 nan 8.370 nan 0.000 0.474 483 M N 1.935 121.539 119.600 0.008 0.000 2.206 483 M HA 0.221 4.633 4.480 -0.114 0.000 0.272 483 M C -2.177 174.068 176.300 -0.091 0.000 1.012 483 M CA -0.539 54.722 55.300 -0.064 0.000 0.986 483 M CB 1.697 34.225 32.600 -0.120 0.000 1.740 483 M HN 0.049 nan 8.290 nan 0.000 0.472 484 V N 6.278 126.117 119.914 -0.124 0.000 2.498 484 V HA 0.561 4.612 4.120 -0.114 0.000 0.279 484 V C -0.276 175.620 176.094 -0.329 0.000 1.048 484 V CA -0.392 61.800 62.300 -0.179 0.000 0.967 484 V CB 1.026 32.759 31.823 -0.151 0.000 0.988 484 V HN 0.821 nan 8.190 nan 0.000 0.473 485 L N 5.048 126.104 121.223 -0.278 0.000 2.381 485 L HA 0.655 4.926 4.340 -0.114 0.000 0.268 485 L C -0.883 176.011 176.870 0.040 0.000 0.997 485 L CA -0.353 54.347 54.840 -0.233 0.000 0.818 485 L CB 2.173 44.185 42.059 -0.078 0.000 1.310 485 L HN 0.465 nan 8.230 nan 0.000 0.416 486 F N 1.880 121.943 119.950 0.189 0.000 2.492 486 F HA 0.578 5.038 4.527 -0.110 0.000 0.327 486 F C -2.069 173.741 175.800 0.016 0.000 1.079 486 F CA -2.322 55.775 58.000 0.162 0.000 0.967 486 F CB 1.928 40.939 39.000 0.018 0.000 1.169 486 F HN 0.222 nan 8.300 nan 0.000 0.472 487 P HA 0.433 nan 4.420 nan 0.000 0.285 487 P C 0.122 177.307 177.300 -0.193 0.000 1.269 487 P CA 0.074 62.816 63.100 -0.597 0.000 0.844 487 P CB 1.668 32.913 31.700 -0.758 0.000 1.094 488 G N 1.502 110.195 108.800 -0.178 0.000 2.553 488 G HA2 -0.188 3.704 3.960 -0.114 0.000 0.242 488 G HA3 -0.188 3.704 3.960 -0.114 0.000 0.242 488 G C -0.701 174.199 174.900 -0.000 0.000 1.277 488 G CA -0.265 44.796 45.100 -0.064 0.000 0.910 488 G HN 0.573 nan 8.290 nan 0.000 0.576 489 E N 0.569 120.789 120.200 0.033 0.000 2.374 489 E HA 0.585 4.867 4.350 -0.114 0.000 0.260 489 E C 1.031 177.671 176.600 0.067 0.000 1.101 489 E CA 0.426 56.888 56.400 0.104 0.000 0.907 489 E CB 0.736 30.523 29.700 0.144 0.000 1.014 489 E HN 1.229 nan 8.360 nan 0.000 0.427 490 A N 1.652 124.510 122.820 0.062 0.000 2.520 490 A HA 0.390 4.642 4.320 -0.114 0.000 0.235 490 A C 0.136 177.632 177.584 -0.146 0.000 1.065 490 A CA 0.317 52.261 52.037 -0.155 0.000 0.764 490 A CB -0.235 18.485 19.000 -0.467 0.000 1.002 490 A HN 0.603 nan 8.150 nan 0.000 0.502 491 T N -0.009 114.383 114.554 -0.269 0.000 2.903 491 T HA 0.631 4.913 4.350 -0.114 0.000 0.299 491 T C -0.324 174.076 174.700 -0.500 0.000 1.093 491 T CA -0.837 61.089 62.100 -0.290 0.000 1.002 491 T CB 0.725 69.466 68.868 -0.212 0.000 1.127 491 T HN 0.496 nan 8.240 nan 0.000 0.488 492 L N 2.324 123.176 121.223 -0.618 0.000 2.453 492 L HA 0.339 4.611 4.340 -0.114 0.000 0.261 492 L C -1.104 175.397 176.870 -0.615 0.000 1.179 492 L CA -2.388 51.983 54.840 -0.783 0.000 0.813 492 L CB 0.791 42.178 42.059 -1.121 0.000 1.110 492 L HN 0.507 nan 8.230 nan 0.000 0.466 493 P HA -0.157 nan 4.420 nan 0.000 0.223 493 P C 1.068 178.289 177.300 -0.132 0.000 1.151 493 P CA 1.262 64.262 63.100 -0.166 0.000 0.787 493 P CB 0.007 31.716 31.700 0.015 0.000 0.788 494 F N -0.995 118.943 119.950 -0.020 0.000 2.789 494 F HA 0.255 4.713 4.527 -0.114 0.000 0.300 494 F C 0.379 176.159 175.800 -0.034 0.000 1.132 494 F CA -1.335 56.655 58.000 -0.017 0.000 1.404 494 F CB -2.039 36.962 39.000 0.002 0.000 1.114 494 F HN -0.261 nan 8.300 nan 0.000 0.584 495 N N 2.566 121.063 118.700 -0.338 0.000 2.458 495 N HA -0.075 4.597 4.740 -0.114 0.000 0.258 495 N C -0.091 175.378 175.510 -0.068 0.000 1.219 495 N CA -0.056 52.898 53.050 -0.160 0.000 0.902 495 N CB 0.368 38.703 38.487 -0.253 0.000 1.076 495 N HN 0.367 nan 8.380 nan 0.000 0.455 496 E N 2.335 122.524 120.200 -0.018 0.000 2.406 496 E HA 0.106 4.388 4.350 -0.114 0.000 0.258 496 E C -0.698 175.868 176.600 -0.057 0.000 1.043 496 E CA -0.458 55.930 56.400 -0.020 0.000 0.929 496 E CB 0.332 30.031 29.700 -0.002 0.000 0.969 496 E HN 0.340 nan 8.360 nan 0.000 0.462 497 V N 1.585 121.455 119.914 -0.073 0.000 3.159 497 V HA 0.623 4.675 4.120 -0.114 0.000 0.308 497 V C -2.613 173.425 176.094 -0.093 0.000 1.190 497 V CA -2.259 59.977 62.300 -0.107 0.000 1.037 497 V CB 1.045 32.758 31.823 -0.183 0.000 1.060 497 V HN 0.579 nan 8.190 nan 0.000 0.437 498 P HA 0.335 nan 4.420 nan 0.000 0.267 498 P C 0.940 178.189 177.300 -0.086 0.000 1.200 498 P CA 0.594 63.647 63.100 -0.077 0.000 0.772 498 P CB 0.876 32.531 31.700 -0.075 0.000 0.855 499 A N 3.302 126.090 122.820 -0.053 0.000 1.903 499 A HA -0.234 4.018 4.320 -0.114 0.000 0.219 499 A C 2.010 179.564 177.584 -0.049 0.000 1.191 499 A CA 1.680 53.692 52.037 -0.042 0.000 0.638 499 A CB -1.383 17.604 19.000 -0.022 0.000 0.823 499 A HN 0.701 nan 8.150 nan 0.000 0.451 500 I N -0.344 120.197 120.570 -0.049 0.000 2.394 500 I HA -0.173 3.929 4.170 -0.114 0.000 0.251 500 I C 2.127 178.203 176.117 -0.068 0.000 1.136 500 I CA 1.234 62.512 61.300 -0.037 0.000 1.425 500 I CB -0.067 37.920 38.000 -0.021 0.000 1.079 500 I HN 0.200 nan 8.210 nan 0.000 0.425 501 V N 0.351 120.161 119.914 -0.174 0.000 2.307 501 V HA -0.258 3.794 4.120 -0.114 0.000 0.245 501 V C 2.542 178.456 176.094 -0.299 0.000 1.045 501 V CA 2.093 64.137 62.300 -0.426 0.000 1.024 501 V CB -0.572 30.862 31.823 -0.648 0.000 0.651 501 V HN 0.397 nan 8.190 nan 0.000 0.449 502 S N -0.476 115.119 115.700 -0.175 0.000 2.370 502 S HA -0.255 4.146 4.470 -0.114 0.000 0.226 502 S C 1.927 176.521 174.600 -0.011 0.000 1.033 502 S CA 1.807 59.959 58.200 -0.081 0.000 1.011 502 S CB -0.294 62.874 63.200 -0.053 0.000 0.852 502 S HN 0.689 nan 8.310 nan 0.000 0.457 503 E N 0.676 120.873 120.200 -0.005 0.000 2.058 503 E HA -0.165 4.116 4.350 -0.114 0.000 0.194 503 E C 2.430 179.068 176.600 0.064 0.000 0.997 503 E CA 1.034 57.450 56.400 0.026 0.000 0.801 503 E CB -0.076 29.635 29.700 0.019 0.000 0.746 503 E HN 0.299 nan 8.360 nan 0.000 0.450 504 Q N 0.178 120.040 119.800 0.103 0.000 2.119 504 Q HA -0.138 4.134 4.340 -0.114 0.000 0.201 504 Q C 2.098 178.234 176.000 0.227 0.000 0.972 504 Q CA 1.094 57.011 55.803 0.191 0.000 0.847 504 Q CB -0.257 28.681 28.738 0.333 0.000 0.903 504 Q HN 0.214 nan 8.270 nan 0.000 0.433 505 R N 0.238 120.892 120.500 0.256 0.000 2.081 505 R HA -0.134 4.137 4.340 -0.114 0.000 0.235 505 R C 2.053 178.414 176.300 0.102 0.000 1.131 505 R CA 1.110 57.335 56.100 0.208 0.000 0.960 505 R CB 0.206 30.604 30.300 0.164 0.000 0.856 505 R HN 0.176 nan 8.270 nan 0.000 0.436 506 Q N 0.713 120.560 119.800 0.079 0.000 2.084 506 Q HA -0.148 4.123 4.340 -0.114 0.000 0.202 506 Q C 1.936 177.972 176.000 0.061 0.000 0.978 506 Q CA 1.463 57.304 55.803 0.063 0.000 0.844 506 Q CB -0.116 28.654 28.738 0.053 0.000 0.898 506 Q HN 0.382 nan 8.270 nan 0.000 0.426 507 K N 0.778 121.215 120.400 0.062 0.000 2.063 507 K HA -0.198 4.054 4.320 -0.114 0.000 0.208 507 K C 2.073 178.702 176.600 0.049 0.000 1.048 507 K CA 1.265 57.584 56.287 0.053 0.000 0.928 507 K CB -0.118 32.414 32.500 0.052 0.000 0.713 507 K HN 0.293 nan 8.250 nan 0.000 0.442 508 E N 1.206 121.433 120.200 0.045 0.000 2.049 508 E HA -0.220 4.062 4.350 -0.114 0.000 0.198 508 E C 2.040 178.665 176.600 0.042 0.000 1.007 508 E CA 1.170 57.584 56.400 0.023 0.000 0.809 508 E CB -0.035 29.651 29.700 -0.023 0.000 0.749 508 E HN 0.230 nan 8.360 nan 0.000 0.450 509 L N 0.465 121.716 121.223 0.047 0.000 2.093 509 L HA -0.172 4.099 4.340 -0.114 0.000 0.208 509 L C 2.485 179.403 176.870 0.081 0.000 1.085 509 L CA 1.270 56.148 54.840 0.064 0.000 0.755 509 L CB -0.340 41.757 42.059 0.063 0.000 0.904 509 L HN 0.187 nan 8.230 nan 0.000 0.435 510 E N -0.185 120.057 120.200 0.070 0.000 2.058 510 E HA -0.280 4.002 4.350 -0.114 0.000 0.194 510 E C 2.251 178.892 176.600 0.068 0.000 0.997 510 E CA 1.342 57.782 56.400 0.067 0.000 0.801 510 E CB -0.075 29.657 29.700 0.055 0.000 0.746 510 E HN 0.524 nan 8.360 nan 0.000 0.450 511 Q N 0.160 119.998 119.800 0.063 0.000 2.096 511 Q HA -0.147 4.124 4.340 -0.114 0.000 0.204 511 Q C 2.248 178.307 176.000 0.098 0.000 0.982 511 Q CA 0.992 56.831 55.803 0.060 0.000 0.850 511 Q CB -0.042 28.726 28.738 0.050 0.000 0.901 511 Q HN 0.101 nan 8.270 nan 0.000 0.422 512 R N 0.992 121.582 120.500 0.150 0.000 2.091 512 R HA -0.110 4.161 4.340 -0.114 0.000 0.238 512 R C 1.900 178.356 176.300 0.260 0.000 1.136 512 R CA 1.294 57.562 56.100 0.281 0.000 0.959 512 R CB -0.246 30.200 30.300 0.243 0.000 0.856 512 R HN 0.275 nan 8.270 nan 0.000 0.437 513 K N 0.349 120.842 120.400 0.156 0.000 2.288 513 K HA 0.025 4.277 4.320 -0.114 0.000 0.201 513 K C 2.136 178.784 176.600 0.079 0.000 1.048 513 K CA 0.549 56.910 56.287 0.123 0.000 0.956 513 K CB 0.040 32.608 32.500 0.115 0.000 0.746 513 K HN 0.112 nan 8.250 nan 0.000 0.461 514 L N 0.060 121.316 121.223 0.056 0.000 2.131 514 L HA -0.104 4.168 4.340 -0.114 0.000 0.206 514 L C 2.147 178.985 176.870 -0.053 0.000 1.087 514 L CA 1.073 55.918 54.840 0.008 0.000 0.767 514 L CB -0.296 41.765 42.059 0.003 0.000 0.917 514 L HN 0.124 nan 8.230 nan 0.000 0.441 515 T N -1.814 112.692 114.554 -0.081 0.000 2.851 515 T HA -0.083 4.199 4.350 -0.114 0.000 0.262 515 T C -0.053 174.368 174.700 -0.465 0.000 1.043 515 T CA 0.945 62.867 62.100 -0.297 0.000 1.140 515 T CB -0.134 68.504 68.868 -0.383 0.000 0.872 515 T HN 0.045 nan 8.240 nan 0.000 0.446 516 Y N 2.157 122.399 120.300 -0.097 0.000 2.491 516 Y HA 0.469 4.964 4.550 -0.092 0.000 0.334 516 Y C 0.326 176.106 175.900 -0.200 0.000 0.969 516 Y CA -0.943 57.066 58.100 -0.152 0.000 1.241 516 Y CB 0.548 38.951 38.460 -0.096 0.000 1.105 516 Y HN 0.058 nan 8.280 nan 0.000 0.503 517 Q N 1.982 121.707 119.800 -0.125 0.000 2.345 517 Q HA 0.308 4.580 4.340 -0.114 0.000 0.268 517 Q C -1.173 174.704 176.000 -0.205 0.000 1.054 517 Q CA -1.105 54.620 55.803 -0.129 0.000 0.835 517 Q CB 2.280 30.989 28.738 -0.047 0.000 1.339 517 Q HN 0.617 nan 8.270 nan 0.000 0.447 518 W N 1.225 122.482 121.300 -0.072 0.000 2.170 518 W HA 0.209 4.805 4.660 -0.107 0.000 0.336 518 W C 0.318 176.635 176.519 -0.338 0.000 1.283 518 W CA 0.621 57.824 57.345 -0.238 0.000 1.224 518 W CB 0.631 29.968 29.460 -0.206 0.000 1.132 518 W HN 0.482 nan 8.180 nan 0.000 0.571 519 D N 0.398 120.617 120.400 -0.302 0.000 2.609 519 D HA 0.396 4.968 4.640 -0.114 0.000 0.239 519 D C -1.876 174.048 176.300 -0.627 0.000 1.229 519 D CA -0.973 52.830 54.000 -0.328 0.000 0.808 519 D CB 1.382 42.107 40.800 -0.125 0.000 1.448 519 D HN 0.222 nan 8.370 nan 0.000 0.433 520 Y N 0.426 120.763 120.300 0.063 0.000 2.457 520 Y HA 0.297 4.781 4.550 -0.110 0.000 0.343 520 Y C 1.074 176.973 175.900 -0.001 0.000 0.994 520 Y CA -0.933 57.181 58.100 0.024 0.000 1.031 520 Y CB 2.052 40.513 38.460 0.001 0.000 1.246 520 Y HN 0.091 nan 8.280 nan 0.000 0.449 521 V N 0.998 120.976 119.914 0.107 0.000 2.379 521 V HA -0.096 3.956 4.120 -0.114 0.000 0.245 521 V C 0.728 176.854 176.094 0.054 0.000 1.044 521 V CA 1.920 64.248 62.300 0.046 0.000 1.036 521 V CB -0.067 31.755 31.823 -0.003 0.000 0.664 521 V HN 0.840 nan 8.190 nan 0.000 0.453 522 S N -2.464 113.279 115.700 0.071 0.000 2.688 522 S HA 0.284 4.686 4.470 -0.114 0.000 0.275 522 S C -0.031 174.593 174.600 0.040 0.000 1.175 522 S CA -0.407 57.823 58.200 0.049 0.000 0.818 522 S CB 1.286 64.502 63.200 0.027 0.000 1.157 522 S HN 0.083 nan 8.310 nan 0.000 0.482 523 D N 0.695 121.098 120.400 0.006 0.000 2.310 523 D HA 0.051 4.623 4.640 -0.114 0.000 0.212 523 D C -0.012 176.321 176.300 0.054 0.000 0.965 523 D CA 1.018 54.993 54.000 -0.041 0.000 0.879 523 D CB -0.163 40.612 40.800 -0.043 0.000 0.921 523 D HN 0.541 nan 8.370 nan 0.000 0.510 524 D N -0.314 120.177 120.400 0.152 0.000 2.463 524 D HA 0.091 4.663 4.640 -0.114 0.000 0.224 524 D C 0.371 176.851 176.300 0.299 0.000 1.174 524 D CA -0.031 54.180 54.000 0.351 0.000 0.829 524 D CB 0.623 41.577 40.800 0.258 0.000 0.993 524 D HN 0.068 nan 8.370 nan 0.000 0.497 525 M N 1.231 120.887 119.600 0.093 0.000 2.530 525 M HA 0.357 4.768 4.480 -0.114 0.000 0.307 525 M C -2.552 173.526 176.300 -0.370 0.000 1.161 525 M CA -2.395 52.766 55.300 -0.232 0.000 0.903 525 M CB 2.323 34.840 32.600 -0.138 0.000 1.711 525 M HN -0.319 nan 8.290 nan 0.000 0.451 526 P HA 0.102 nan 4.420 nan 0.000 0.268 526 P C 0.129 177.428 177.300 -0.002 0.000 1.208 526 P CA -0.063 62.743 63.100 -0.490 0.000 0.777 526 P CB 0.254 31.539 31.700 -0.692 0.000 0.875 527 G N 2.341 111.270 108.800 0.215 0.000 2.491 527 G HA2 0.181 4.072 3.960 -0.114 0.000 0.242 527 G HA3 0.181 4.072 3.960 -0.114 0.000 0.242 527 G C 0.125 175.182 174.900 0.261 0.000 1.266 527 G CA -0.553 44.680 45.100 0.222 0.000 0.844 527 G HN 0.771 nan 8.290 nan 0.000 0.571 528 N N 0.822 119.556 118.700 0.057 0.000 2.577 528 N HA 0.360 5.032 4.740 -0.114 0.000 0.285 528 N C -0.708 174.749 175.510 -0.089 0.000 1.309 528 N CA -1.000 52.052 53.050 0.004 0.000 0.798 528 N CB 2.155 40.623 38.487 -0.031 0.000 1.463 528 N HN 0.418 nan 8.380 nan 0.000 0.518 529 I N 0.202 120.707 120.570 -0.108 0.000 2.588 529 I HA 0.032 4.134 4.170 -0.114 0.000 0.283 529 I C 0.611 176.649 176.117 -0.132 0.000 1.119 529 I CA -0.373 60.839 61.300 -0.148 0.000 1.419 529 I CB 0.480 38.414 38.000 -0.109 0.000 1.394 529 I HN 0.555 nan 8.210 nan 0.000 0.562 530 K N 6.926 127.243 120.400 -0.139 0.000 2.363 530 K HA 0.511 4.762 4.320 -0.114 0.000 0.289 530 K C -1.126 175.398 176.600 -0.127 0.000 1.063 530 K CA -0.030 56.189 56.287 -0.113 0.000 0.967 530 K CB 0.285 32.729 32.500 -0.094 0.000 0.987 530 K HN 0.704 nan 8.250 nan 0.000 0.473 531 A N 3.291 126.044 122.820 -0.112 0.000 2.518 531 A HA 0.429 4.680 4.320 -0.114 0.000 0.295 531 A C 0.137 177.664 177.584 -0.095 0.000 1.052 531 A CA -0.395 51.568 52.037 -0.123 0.000 0.824 531 A CB 0.991 19.897 19.000 -0.157 0.000 1.325 531 A HN 0.709 nan 8.150 nan 0.000 0.394 532 K N 0.699 121.049 120.400 -0.084 0.000 2.025 532 K HA 0.282 4.534 4.320 -0.114 0.000 0.207 532 K C 1.148 177.714 176.600 -0.057 0.000 1.049 532 K CA 2.556 58.806 56.287 -0.061 0.000 0.933 532 K CB -0.606 31.862 32.500 -0.052 0.000 0.714 532 K HN 2.073 nan 8.250 nan 0.000 0.438 533 T N -5.153 109.362 114.554 -0.066 0.000 2.864 533 T HA 0.303 4.585 4.350 -0.114 0.000 0.289 533 T C 0.776 175.440 174.700 -0.061 0.000 1.082 533 T CA 0.011 62.084 62.100 -0.045 0.000 1.009 533 T CB 1.238 70.092 68.868 -0.022 0.000 1.234 533 T HN 0.307 nan 8.240 nan 0.000 0.526 534 H N 0.513 119.504 119.070 -0.132 0.000 2.353 534 H HA -0.123 4.370 4.556 -0.106 0.000 0.298 534 H C 0.746 175.984 175.328 -0.150 0.000 1.103 534 H CA 2.412 58.358 56.048 -0.171 0.000 1.293 534 H CB -0.207 29.441 29.762 -0.191 0.000 1.372 534 H HN 0.632 nan 8.280 nan 0.000 0.501 535 D N 0.411 120.788 120.400 -0.040 0.000 2.348 535 D HA -0.076 4.496 4.640 -0.114 0.000 0.216 535 D C 1.369 177.565 176.300 -0.173 0.000 0.970 535 D CA 0.452 54.388 54.000 -0.106 0.000 0.889 535 D CB -0.272 40.516 40.800 -0.021 0.000 0.912 535 D HN 0.469 nan 8.370 nan 0.000 0.524 536 D N 0.007 120.304 120.400 -0.171 0.000 2.347 536 D HA -0.000 4.571 4.640 -0.114 0.000 0.215 536 D C 0.846 176.999 176.300 -0.244 0.000 0.976 536 D CA 0.129 54.021 54.000 -0.181 0.000 0.884 536 D CB 0.467 41.180 40.800 -0.145 0.000 0.915 536 D HN 0.250 nan 8.370 nan 0.000 0.526 537 L N 1.670 122.705 121.223 -0.314 0.000 2.439 537 L HA 0.178 4.450 4.340 -0.114 0.000 0.269 537 L C -2.003 174.652 176.870 -0.358 0.000 1.179 537 L CA -1.715 52.911 54.840 -0.356 0.000 0.828 537 L CB 0.137 41.938 42.059 -0.429 0.000 1.106 537 L HN -0.291 nan 8.230 nan 0.000 0.467 538 P HA -0.028 nan 4.420 nan 0.000 0.265 538 P C 0.172 177.299 177.300 -0.288 0.000 1.187 538 P CA 0.100 62.984 63.100 -0.358 0.000 0.766 538 P CB 0.473 31.877 31.700 -0.493 0.000 0.820 539 R N 2.576 122.920 120.500 -0.260 0.000 2.127 539 R HA -0.181 4.090 4.340 -0.114 0.000 0.238 539 R C 1.204 177.454 176.300 -0.083 0.000 1.134 539 R CA 1.592 57.497 56.100 -0.326 0.000 0.975 539 R CB -0.352 29.578 30.300 -0.616 0.000 0.865 539 R HN 0.458 nan 8.270 nan 0.000 0.447 540 D N -0.380 120.075 120.400 0.092 0.000 2.221 540 D HA -0.139 4.432 4.640 -0.114 0.000 0.204 540 D C 1.491 177.880 176.300 0.148 0.000 0.982 540 D CA 1.627 55.792 54.000 0.276 0.000 0.857 540 D CB 0.183 41.014 40.800 0.051 0.000 0.934 540 D HN 0.331 nan 8.370 nan 0.000 0.475 541 V N -2.372 117.495 119.914 -0.078 0.000 3.427 541 V HA 0.219 4.270 4.120 -0.114 0.000 0.305 541 V C 0.575 176.617 176.094 -0.087 0.000 1.412 541 V CA -0.400 61.858 62.300 -0.070 0.000 1.086 541 V CB -0.144 31.558 31.823 -0.201 0.000 0.964 541 V HN -0.113 nan 8.190 nan 0.000 0.439 542 Q N 0.504 120.250 119.800 -0.089 0.000 2.417 542 Q HA 0.350 4.621 4.340 -0.114 0.000 0.241 542 Q C -0.468 175.706 176.000 0.289 0.000 1.008 542 Q CA -0.685 55.053 55.803 -0.108 0.000 0.901 542 Q CB 0.743 29.354 28.738 -0.213 0.000 1.259 542 Q HN 0.454 nan 8.270 nan 0.000 0.489 543 F N 1.315 121.495 119.950 0.383 0.000 2.628 543 F HA -0.070 4.390 4.527 -0.112 0.000 0.362 543 F C 1.248 177.219 175.800 0.286 0.000 1.148 543 F CA -0.246 57.906 58.000 0.253 0.000 1.352 543 F CB -0.054 39.020 39.000 0.123 0.000 1.081 543 F HN 0.493 nan 8.300 nan 0.000 0.605 544 T N -0.496 114.359 114.554 0.501 0.000 2.791 544 T HA 0.000 4.282 4.350 -0.114 0.000 0.323 544 T C 0.910 175.761 174.700 0.251 0.000 1.082 544 T CA -0.328 61.969 62.100 0.329 0.000 1.084 544 T CB 0.440 69.429 68.868 0.203 0.000 0.992 544 T HN 0.514 nan 8.240 nan 0.000 0.547 545 D N 0.573 121.108 120.400 0.225 0.000 2.178 545 D HA -0.042 4.530 4.640 -0.114 0.000 0.201 545 D C 2.022 178.398 176.300 0.127 0.000 0.980 545 D CA 1.183 55.297 54.000 0.190 0.000 0.842 545 D CB -0.029 40.912 40.800 0.235 0.000 0.948 545 D HN 0.739 nan 8.370 nan 0.000 0.472 546 E N 0.274 120.532 120.200 0.096 0.000 2.077 546 E HA -0.165 4.116 4.350 -0.114 0.000 0.193 546 E C 1.757 178.361 176.600 0.006 0.000 0.989 546 E CA 0.870 57.299 56.400 0.048 0.000 0.800 546 E CB 0.042 29.758 29.700 0.028 0.000 0.746 546 E HN -0.037 nan 8.360 nan 0.000 0.452 547 K N 0.272 120.642 120.400 -0.051 0.000 2.103 547 K HA 0.104 4.355 4.320 -0.114 0.000 0.204 547 K C 2.151 178.597 176.600 -0.257 0.000 1.052 547 K CA 0.760 56.877 56.287 -0.284 0.000 0.945 547 K CB -0.272 31.834 32.500 -0.656 0.000 0.722 547 K HN -0.002 nan 8.250 nan 0.000 0.443 548 S N 0.624 116.321 115.700 -0.005 0.000 2.370 548 S HA -0.144 4.257 4.470 -0.114 0.000 0.226 548 S C 1.983 176.680 174.600 0.162 0.000 1.033 548 S CA 1.413 59.729 58.200 0.194 0.000 1.011 548 S CB -0.151 63.161 63.200 0.187 0.000 0.852 548 S HN 0.373 nan 8.310 nan 0.000 0.457 549 R N 0.786 121.347 120.500 0.101 0.000 2.066 549 R HA -0.060 4.212 4.340 -0.114 0.000 0.232 549 R C 2.558 178.901 176.300 0.072 0.000 1.131 549 R CA 1.647 57.797 56.100 0.083 0.000 0.955 549 R CB -0.588 29.753 30.300 0.069 0.000 0.851 549 R HN 0.347 nan 8.270 nan 0.000 0.432 550 S N -0.421 115.312 115.700 0.055 0.000 2.359 550 S HA -0.235 4.167 4.470 -0.114 0.000 0.224 550 S C 1.789 176.435 174.600 0.077 0.000 1.035 550 S CA 1.496 59.727 58.200 0.053 0.000 1.018 550 S CB -0.504 62.713 63.200 0.029 0.000 0.876 550 S HN 0.569 nan 8.310 nan 0.000 0.448 551 Y N 1.881 122.175 120.300 -0.010 0.000 2.114 551 Y HA -0.106 4.376 4.550 -0.114 0.000 0.284 551 Y C 2.590 178.532 175.900 0.070 0.000 1.143 551 Y CA 2.163 60.292 58.100 0.049 0.000 1.135 551 Y CB -0.616 37.928 38.460 0.140 0.000 0.980 551 Y HN 0.261 nan 8.280 nan 0.000 0.499 552 Q N 0.312 120.101 119.800 -0.018 0.000 2.124 552 Q HA -0.169 4.103 4.340 -0.114 0.000 0.202 552 Q C 2.045 177.996 176.000 -0.082 0.000 0.977 552 Q CA 1.522 57.267 55.803 -0.097 0.000 0.850 552 Q CB -0.333 28.429 28.738 0.041 0.000 0.901 552 Q HN 0.578 nan 8.270 nan 0.000 0.429 553 E N 0.592 120.783 120.200 -0.015 0.000 2.110 553 E HA -0.112 4.169 4.350 -0.114 0.000 0.193 553 E C 2.062 178.688 176.600 0.045 0.000 0.988 553 E CA 1.309 57.719 56.400 0.018 0.000 0.804 553 E CB -0.201 29.526 29.700 0.045 0.000 0.745 553 E HN 0.404 nan 8.360 nan 0.000 0.458 554 S N 0.812 116.528 115.700 0.027 0.000 2.382 554 S HA -0.103 4.299 4.470 -0.114 0.000 0.228 554 S C 1.916 176.595 174.600 0.132 0.000 1.027 554 S CA 0.563 58.846 58.200 0.138 0.000 0.991 554 S CB -0.049 63.126 63.200 -0.042 0.000 0.823 554 S HN 0.073 nan 8.310 nan 0.000 0.469 555 R N 1.706 122.153 120.500 -0.089 0.000 2.075 555 R HA 0.111 4.382 4.340 -0.114 0.000 0.232 555 R C 2.399 178.693 176.300 -0.009 0.000 1.126 555 R CA 1.338 57.386 56.100 -0.087 0.000 0.963 555 R CB -0.602 29.557 30.300 -0.236 0.000 0.858 555 R HN 0.570 nan 8.270 nan 0.000 0.435 556 K N 0.544 120.933 120.400 -0.019 0.000 2.032 556 K HA -0.075 4.176 4.320 -0.114 0.000 0.209 556 K C 2.185 178.775 176.600 -0.017 0.000 1.048 556 K CA 1.549 57.829 56.287 -0.013 0.000 0.927 556 K CB -0.223 32.270 32.500 -0.012 0.000 0.712 556 K HN 0.111 nan 8.250 nan 0.000 0.441 557 A N 1.692 124.519 122.820 0.013 0.000 1.902 557 A HA -0.120 4.131 4.320 -0.114 0.000 0.217 557 A C 2.422 179.903 177.584 -0.171 0.000 1.181 557 A CA 1.823 53.822 52.037 -0.065 0.000 0.623 557 A CB -0.720 18.288 19.000 0.014 0.000 0.818 557 A HN 0.343 nan 8.150 nan 0.000 0.443 558 A N -0.119 122.726 122.820 0.042 0.000 1.883 558 A HA -0.119 4.133 4.320 -0.114 0.000 0.217 558 A C 2.196 179.811 177.584 0.052 0.000 1.186 558 A CA 1.661 53.806 52.037 0.181 0.000 0.624 558 A CB -0.688 18.538 19.000 0.376 0.000 0.822 558 A HN 0.483 nan 8.150 nan 0.000 0.444 559 L N -0.656 120.577 121.223 0.017 0.000 2.046 559 L HA -0.160 4.111 4.340 -0.114 0.000 0.208 559 L C 2.565 179.393 176.870 -0.070 0.000 1.077 559 L CA 1.082 55.917 54.840 -0.008 0.000 0.747 559 L CB -0.591 41.462 42.059 -0.011 0.000 0.896 559 L HN 0.258 nan 8.230 nan 0.000 0.432 560 V N 0.205 120.049 119.914 -0.117 0.000 2.287 560 V HA -0.292 3.759 4.120 -0.114 0.000 0.248 560 V C 2.234 178.177 176.094 -0.251 0.000 1.053 560 V CA 1.986 64.190 62.300 -0.160 0.000 1.027 560 V CB -0.667 31.063 31.823 -0.155 0.000 0.646 560 V HN 0.492 nan 8.190 nan 0.000 0.447 561 N N 0.028 118.460 118.700 -0.446 0.000 2.142 561 N HA -0.073 4.599 4.740 -0.114 0.000 0.186 561 N C 1.790 177.068 175.510 -0.385 0.000 1.023 561 N CA 1.210 53.827 53.050 -0.722 0.000 0.852 561 N CB -0.459 36.961 38.487 -1.777 0.000 0.998 561 N HN 0.379 nan 8.380 nan 0.000 0.424 562 L N 0.288 121.426 121.223 -0.143 0.000 2.012 562 L HA -0.113 4.158 4.340 -0.114 0.000 0.210 562 L C 2.396 179.257 176.870 -0.016 0.000 1.073 562 L CA 1.503 56.381 54.840 0.064 0.000 0.748 562 L CB -0.874 41.258 42.059 0.122 0.000 0.891 562 L HN 0.232 nan 8.230 nan 0.000 0.431 563 G N 0.007 108.772 108.800 -0.058 0.000 2.421 563 G HA2 -0.217 3.675 3.960 -0.114 0.000 0.216 563 G HA3 -0.217 3.675 3.960 -0.114 0.000 0.216 563 G C 1.568 176.433 174.900 -0.057 0.000 1.171 563 G CA 0.733 45.799 45.100 -0.056 0.000 0.775 563 G HN 0.281 nan 8.290 nan 0.000 0.543 564 I N 1.179 121.698 120.570 -0.084 0.000 2.202 564 I HA -0.048 4.054 4.170 -0.114 0.000 0.242 564 I C 3.119 179.229 176.117 -0.011 0.000 1.091 564 I CA 0.974 62.236 61.300 -0.063 0.000 1.368 564 I CB -0.520 37.408 38.000 -0.121 0.000 1.058 564 I HN 0.238 nan 8.210 nan 0.000 0.410 565 G N -0.188 108.592 108.800 -0.033 0.000 2.469 565 G HA2 -0.339 3.553 3.960 -0.114 0.000 0.219 565 G HA3 -0.339 3.553 3.960 -0.114 0.000 0.219 565 G C 1.785 176.728 174.900 0.071 0.000 1.150 565 G CA 1.222 46.352 45.100 0.051 0.000 0.763 565 G HN 0.410 nan 8.290 nan 0.000 0.561 566 S N -0.020 115.684 115.700 0.006 0.000 2.356 566 S HA -0.026 4.375 4.470 -0.114 0.000 0.223 566 S C 2.462 177.006 174.600 -0.093 0.000 1.032 566 S CA 1.238 59.403 58.200 -0.058 0.000 1.005 566 S CB -0.305 62.849 63.200 -0.076 0.000 0.867 566 S HN 0.332 nan 8.310 nan 0.000 0.449 567 L N -0.276 120.915 121.223 -0.054 0.000 2.042 567 L HA -0.062 4.210 4.340 -0.114 0.000 0.210 567 L C 2.353 179.203 176.870 -0.033 0.000 1.076 567 L CA 1.846 56.648 54.840 -0.064 0.000 0.749 567 L CB -0.559 41.492 42.059 -0.013 0.000 0.893 567 L HN 0.398 nan 8.230 nan 0.000 0.432 568 F N 0.805 120.711 119.950 -0.074 0.000 2.146 568 F HA -0.220 4.238 4.527 -0.114 0.000 0.298 568 F C 2.580 178.362 175.800 -0.030 0.000 1.096 568 F CA 1.835 59.814 58.000 -0.035 0.000 1.275 568 F CB -0.115 38.875 39.000 -0.017 0.000 1.008 568 F HN 0.097 nan 8.300 nan 0.000 0.480 569 T N -2.111 112.502 114.554 0.098 0.000 3.144 569 T HA 0.015 4.297 4.350 -0.114 0.000 0.249 569 T C 1.785 176.384 174.700 -0.167 0.000 1.089 569 T CA 0.343 62.464 62.100 0.035 0.000 0.989 569 T CB -0.476 68.477 68.868 0.142 0.000 0.992 569 T HN 0.425 nan 8.240 nan 0.000 0.540 570 M N 0.601 120.009 119.600 -0.321 0.000 2.108 570 M HA -0.022 4.390 4.480 -0.114 0.000 0.257 570 M C 0.428 176.321 176.300 -0.678 0.000 1.071 570 M CA 1.952 56.871 55.300 -0.635 0.000 1.093 570 M CB -0.258 31.707 32.600 -1.058 0.000 1.345 570 M HN 0.405 nan 8.290 nan 0.000 0.403 571 F N -0.172 119.717 119.950 -0.102 0.000 2.684 571 F HA 0.294 4.753 4.527 -0.114 0.000 0.298 571 F C 0.126 175.882 175.800 -0.074 0.000 1.120 571 F CA -0.690 57.256 58.000 -0.090 0.000 1.332 571 F CB 0.161 39.112 39.000 -0.081 0.000 0.986 571 F HN 0.008 nan 8.300 nan 0.000 0.524 572 E N 1.170 121.383 120.200 0.021 0.000 2.313 572 E HA 0.087 4.368 4.350 -0.114 0.000 0.276 572 E C -0.426 176.191 176.600 0.028 0.000 1.031 572 E CA -0.521 55.925 56.400 0.076 0.000 0.857 572 E CB 0.786 30.603 29.700 0.196 0.000 1.040 572 E HN 0.027 nan 8.360 nan 0.000 0.408 573 N N 2.543 121.314 118.700 0.117 0.000 2.426 573 N HA 0.120 4.791 4.740 -0.114 0.000 0.275 573 N C -1.674 174.020 175.510 0.306 0.000 1.019 573 N CA -0.499 52.617 53.050 0.110 0.000 0.941 573 N CB 0.519 39.052 38.487 0.076 0.000 1.123 573 N HN 0.297 nan 8.380 nan 0.000 0.486 574 W N 2.433 123.684 121.300 -0.082 0.000 2.332 574 W HA 0.236 4.827 4.660 -0.114 0.000 0.306 574 W C 0.352 176.827 176.519 -0.074 0.000 1.149 574 W CA -0.853 56.429 57.345 -0.106 0.000 1.271 574 W CB 0.837 30.175 29.460 -0.204 0.000 1.243 574 W HN 0.606 nan 8.180 nan 0.000 0.459 575 D N 0.026 120.482 120.400 0.093 0.000 2.469 575 D HA 0.092 4.664 4.640 -0.114 0.000 0.213 575 D C 0.272 176.549 176.300 -0.037 0.000 1.135 575 D CA 0.023 54.038 54.000 0.026 0.000 0.834 575 D CB 0.107 40.922 40.800 0.024 0.000 1.009 575 D HN 0.026 nan 8.370 nan 0.000 0.507 576 S N -1.661 113.999 115.700 -0.067 0.000 2.651 576 S HA 0.399 4.800 4.470 -0.114 0.000 0.279 576 S C 0.280 174.869 174.600 -0.018 0.000 1.148 576 S CA -0.845 57.303 58.200 -0.086 0.000 0.837 576 S CB 0.450 63.643 63.200 -0.013 0.000 1.138 576 S HN -0.025 nan 8.310 nan 0.000 0.478 577 Y N 0.383 120.811 120.300 0.213 0.000 2.224 577 Y HA -0.075 4.406 4.550 -0.114 0.000 0.289 577 Y C 1.849 177.917 175.900 0.280 0.000 1.146 577 Y CA 1.085 59.340 58.100 0.258 0.000 1.182 577 Y CB -0.169 38.530 38.460 0.398 0.000 0.983 577 Y HN 0.585 nan 8.280 nan 0.000 0.524 578 D N -0.063 120.583 120.400 0.410 0.000 2.350 578 D HA -0.125 4.447 4.640 -0.114 0.000 0.216 578 D C 1.243 177.632 176.300 0.149 0.000 0.968 578 D CA 0.819 55.078 54.000 0.431 0.000 0.894 578 D CB -0.331 40.663 40.800 0.323 0.000 0.909 578 D HN 0.365 nan 8.370 nan 0.000 0.520 579 D N -0.569 119.699 120.400 -0.221 0.000 2.263 579 D HA -0.146 4.426 4.640 -0.114 0.000 0.208 579 D C 1.498 177.121 176.300 -1.129 0.000 0.971 579 D CA 0.604 54.108 54.000 -0.827 0.000 0.867 579 D CB -0.227 39.660 40.800 -1.522 0.000 0.929 579 D HN 0.387 nan 8.370 nan 0.000 0.492 580 Y N 0.267 120.138 120.300 -0.715 0.000 2.439 580 Y HA -0.089 4.393 4.550 -0.114 0.000 0.292 580 Y C 2.346 178.144 175.900 -0.170 0.000 1.130 580 Y CA 0.734 58.539 58.100 -0.491 0.000 1.254 580 Y CB -0.122 38.037 38.460 -0.502 0.000 1.000 580 Y HN 0.216 nan 8.280 nan 0.000 0.554 581 H N -0.876 118.260 119.070 0.110 0.000 2.456 581 H HA -0.161 4.326 4.556 -0.114 0.000 0.296 581 H C 2.269 177.258 175.328 -0.566 0.000 1.079 581 H CA 1.614 57.553 56.048 -0.182 0.000 1.322 581 H CB -0.239 29.429 29.762 -0.157 0.000 1.388 581 H HN 0.386 nan 8.280 nan 0.000 0.538 582 I N 1.078 121.545 120.570 -0.172 0.000 2.567 582 I HA -0.225 3.877 4.170 -0.114 0.000 0.257 582 I C 1.956 178.036 176.117 -0.062 0.000 1.184 582 I CA 0.816 62.044 61.300 -0.119 0.000 1.451 582 I CB -0.127 37.892 38.000 0.032 0.000 1.089 582 I HN 0.097 nan 8.210 nan 0.000 0.441 583 L N -0.481 120.743 121.223 0.002 0.000 2.395 583 L HA -0.118 4.153 4.340 -0.114 0.000 0.218 583 L C 1.825 178.845 176.870 0.250 0.000 1.130 583 L CA 0.697 55.642 54.840 0.175 0.000 0.826 583 L CB -0.693 41.499 42.059 0.223 0.000 0.941 583 L HN 0.464 nan 8.230 nan 0.000 0.451 584 Y N -2.326 118.114 120.300 0.233 0.000 2.449 584 Y HA 0.256 4.738 4.550 -0.114 0.000 0.254 584 Y C 2.295 178.383 175.900 0.313 0.000 1.140 584 Y CA -0.665 57.578 58.100 0.237 0.000 1.272 584 Y CB -0.625 37.914 38.460 0.132 0.000 1.114 584 Y HN -0.122 nan 8.280 nan 0.000 0.525 585 R N 2.056 122.634 120.500 0.130 0.000 2.081 585 R HA -0.152 4.119 4.340 -0.114 0.000 0.235 585 R C 1.143 177.503 176.300 0.099 0.000 1.131 585 R CA 1.827 57.976 56.100 0.081 0.000 0.960 585 R CB -0.201 30.039 30.300 -0.099 0.000 0.856 585 R HN 0.553 nan 8.270 nan 0.000 0.436 586 N N -0.857 117.877 118.700 0.056 0.000 2.322 586 N HA -0.052 4.619 4.740 -0.114 0.000 0.216 586 N C -1.102 174.245 175.510 -0.271 0.000 1.144 586 N CA 0.018 52.983 53.050 -0.142 0.000 0.830 586 N CB -0.013 38.306 38.487 -0.280 0.000 1.034 586 N HN 0.111 nan 8.380 nan 0.000 0.484 587 W N 0.380 121.664 121.300 -0.027 0.000 2.606 587 W HA 0.512 5.103 4.660 -0.115 0.000 0.332 587 W C -0.026 176.491 176.519 -0.004 0.000 1.052 587 W CA -0.917 56.383 57.345 -0.076 0.000 1.223 587 W CB 1.056 30.500 29.460 -0.028 0.000 1.383 587 W HN -0.194 nan 8.180 nan 0.000 0.524 588 I N 4.842 125.525 120.570 0.190 0.000 2.294 588 I HA 0.081 4.182 4.170 -0.114 0.000 0.295 588 I C 0.419 176.761 176.117 0.376 0.000 1.098 588 I CA 0.029 61.476 61.300 0.244 0.000 1.277 588 I CB -0.238 37.895 38.000 0.222 0.000 1.434 588 I HN 0.585 nan 8.210 nan 0.000 0.498 589 L N 4.321 125.718 121.223 0.291 0.000 2.817 589 L HA 0.310 4.581 4.340 -0.114 0.000 0.248 589 L C 1.355 178.336 176.870 0.184 0.000 1.133 589 L CA 0.156 55.154 54.840 0.263 0.000 0.935 589 L CB 0.444 42.627 42.059 0.207 0.000 1.266 589 L HN 0.856 nan 8.230 nan 0.000 0.535 590 G N 0.375 109.273 108.800 0.163 0.000 2.132 590 G HA2 -0.006 3.886 3.960 -0.114 0.000 0.228 590 G HA3 -0.006 3.886 3.960 -0.114 0.000 0.228 590 G C 0.449 175.402 174.900 0.088 0.000 1.000 590 G CA -0.020 45.154 45.100 0.125 0.000 0.693 590 G HN 0.808 nan 8.290 nan 0.000 0.515 591 G N -2.117 106.732 108.800 0.081 0.000 2.402 591 G HA2 0.465 4.357 3.960 -0.114 0.000 0.666 591 G HA3 0.465 4.357 3.960 -0.114 0.000 0.666 591 G C -0.228 174.675 174.900 0.006 0.000 1.402 591 G CA 0.130 45.257 45.100 0.045 0.000 0.920 591 G HN 1.354 nan 8.290 nan 0.000 0.651 592 T N 3.384 117.929 114.554 -0.016 0.000 2.905 592 T HA 0.337 4.618 4.350 -0.114 0.000 0.299 592 T C -1.856 172.726 174.700 -0.196 0.000 1.024 592 T CA 0.447 62.465 62.100 -0.135 0.000 1.151 592 T CB 0.494 69.339 68.868 -0.038 0.000 0.987 592 T HN 0.465 nan 8.240 nan 0.000 0.535 593 P HA -0.019 nan 4.420 nan 0.000 0.261 593 P C 0.859 178.086 177.300 -0.122 0.000 1.173 593 P CA 0.140 63.117 63.100 -0.206 0.000 0.760 593 P CB 0.186 31.723 31.700 -0.272 0.000 0.783 594 N N 2.913 121.578 118.700 -0.058 0.000 2.571 594 N HA -0.062 4.609 4.740 -0.114 0.000 0.189 594 N C 0.672 176.111 175.510 -0.119 0.000 1.154 594 N CA 0.251 53.252 53.050 -0.081 0.000 0.907 594 N CB -0.147 38.307 38.487 -0.056 0.000 0.977 594 N HN 0.283 nan 8.380 nan 0.000 0.449 595 M N -0.006 119.562 119.600 -0.052 0.000 2.371 595 M HA 0.249 4.661 4.480 -0.114 0.000 0.246 595 M C 1.966 178.322 176.300 0.095 0.000 1.103 595 M CA -0.054 55.243 55.300 -0.006 0.000 1.010 595 M CB -0.073 32.571 32.600 0.073 0.000 1.457 595 M HN 0.259 nan 8.290 nan 0.000 0.486 596 A N 1.706 124.538 122.820 0.019 0.000 1.978 596 A HA -0.188 4.064 4.320 -0.114 0.000 0.220 596 A C 1.608 179.242 177.584 0.082 0.000 1.170 596 A CA 2.225 54.233 52.037 -0.048 0.000 0.636 596 A CB -0.641 18.346 19.000 -0.021 0.000 0.810 596 A HN 0.586 nan 8.150 nan 0.000 0.448 597 D N -1.122 119.311 120.400 0.056 0.000 2.339 597 D HA -0.044 4.528 4.640 -0.114 0.000 0.217 597 D C 1.195 177.547 176.300 0.086 0.000 1.050 597 D CA 0.677 54.717 54.000 0.066 0.000 0.856 597 D CB -0.239 40.536 40.800 -0.041 0.000 0.922 597 D HN 0.718 nan 8.370 nan 0.000 0.518 598 R N -0.276 120.253 120.500 0.048 0.000 2.496 598 R HA 0.104 4.376 4.340 -0.114 0.000 0.369 598 R C 1.445 177.686 176.300 -0.099 0.000 0.896 598 R CA -0.531 55.459 56.100 -0.183 0.000 1.147 598 R CB -1.272 28.715 30.300 -0.522 0.000 1.697 598 R HN 0.122 nan 8.270 nan 0.000 0.518 599 W N 2.855 124.209 121.300 0.091 0.000 2.331 599 W HA -0.202 4.390 4.660 -0.114 0.000 0.291 599 W C 0.905 177.534 176.519 0.183 0.000 1.214 599 W CA 1.721 59.178 57.345 0.186 0.000 1.228 599 W CB -0.975 28.672 29.460 0.312 0.000 1.135 599 W HN 0.289 nan 8.180 nan 0.000 0.537 600 H N 0.151 118.611 119.070 -1.017 0.000 2.551 600 H HA 0.267 4.755 4.556 -0.114 0.000 0.266 600 H C -0.366 174.702 175.328 -0.433 0.000 0.964 600 H CA 0.356 55.702 56.048 -1.170 0.000 1.180 600 H CB -0.664 28.150 29.762 -1.580 0.000 1.408 600 H HN 0.182 nan 8.280 nan 0.000 0.563 601 E N 1.792 121.622 120.200 -0.618 0.000 2.289 601 E HA 0.005 4.286 4.350 -0.114 0.000 0.278 601 E C 0.072 176.673 176.600 0.001 0.000 1.032 601 E CA -0.451 55.792 56.400 -0.261 0.000 0.854 601 E CB 1.190 30.805 29.700 -0.141 0.000 1.046 601 E HN 0.169 nan 8.360 nan 0.000 0.409 602 D N 2.211 122.641 120.400 0.051 0.000 2.149 602 D HA -0.188 4.384 4.640 -0.114 0.000 0.198 602 D C 1.725 178.148 176.300 0.204 0.000 0.990 602 D CA 1.072 55.180 54.000 0.180 0.000 0.839 602 D CB 0.056 40.982 40.800 0.211 0.000 0.948 602 D HN 0.382 nan 8.370 nan 0.000 0.460 603 R N -0.470 120.045 120.500 0.026 0.000 2.081 603 R HA -0.144 4.128 4.340 -0.114 0.000 0.235 603 R C 1.919 178.099 176.300 -0.200 0.000 1.131 603 R CA 1.175 57.172 56.100 -0.170 0.000 0.960 603 R CB -0.324 29.675 30.300 -0.502 0.000 0.856 603 R HN 0.280 nan 8.270 nan 0.000 0.436 604 W N -0.769 120.571 121.300 0.067 0.000 2.737 604 W HA 0.018 4.609 4.660 -0.114 0.000 0.262 604 W C 1.825 178.470 176.519 0.209 0.000 1.282 604 W CA -0.409 56.980 57.345 0.075 0.000 1.386 604 W CB -0.290 29.134 29.460 -0.059 0.000 1.099 604 W HN 0.041 nan 8.180 nan 0.000 0.621 605 F N 1.174 121.291 119.950 0.278 0.000 2.102 605 F HA -0.095 4.363 4.527 -0.114 0.000 0.298 605 F C 2.247 178.319 175.800 0.453 0.000 1.105 605 F CA 2.360 60.535 58.000 0.292 0.000 1.239 605 F CB -0.785 38.340 39.000 0.208 0.000 0.991 605 F HN -0.141 nan 8.300 nan 0.000 0.474 606 G N -1.486 107.637 108.800 0.539 0.000 2.402 606 G HA2 -0.338 3.554 3.960 -0.114 0.000 0.216 606 G HA3 -0.338 3.554 3.960 -0.114 0.000 0.216 606 G C 1.560 176.604 174.900 0.239 0.000 1.162 606 G CA 0.753 46.140 45.100 0.478 0.000 0.777 606 G HN 0.512 nan 8.290 nan 0.000 0.539 607 Y N 1.479 121.814 120.300 0.059 0.000 2.132 607 Y HA -0.298 4.183 4.550 -0.114 0.000 0.280 607 Y C 2.873 178.791 175.900 0.031 0.000 1.193 607 Y CA 2.509 60.615 58.100 0.010 0.000 1.157 607 Y CB -0.111 38.402 38.460 0.090 0.000 0.966 607 Y HN 0.325 nan 8.280 nan 0.000 0.511 608 Q N -1.351 118.524 119.800 0.124 0.000 2.436 608 Q HA -0.094 4.178 4.340 -0.114 0.000 0.209 608 Q C 1.637 177.449 176.000 -0.313 0.000 0.965 608 Q CA 0.767 56.532 55.803 -0.064 0.000 0.910 608 Q CB -0.219 28.461 28.738 -0.097 0.000 0.980 608 Q HN 0.515 nan 8.270 nan 0.000 0.491 609 F N -0.136 119.629 119.950 -0.309 0.000 2.502 609 F HA -0.070 4.389 4.527 -0.114 0.000 0.298 609 F C 1.643 177.165 175.800 -0.464 0.000 1.111 609 F CA 0.833 58.592 58.000 -0.401 0.000 1.445 609 F CB 0.170 38.794 39.000 -0.626 0.000 1.081 609 F HN 0.047 nan 8.300 nan 0.000 0.558 610 L N -1.138 119.852 121.223 -0.388 0.000 2.286 610 L HA 0.073 4.344 4.340 -0.114 0.000 0.203 610 L C 1.098 177.861 176.870 -0.179 0.000 1.068 610 L CA 0.699 55.201 54.840 -0.563 0.000 0.811 610 L CB -0.159 41.452 42.059 -0.747 0.000 0.989 610 L HN 0.009 nan 8.230 nan 0.000 0.467 611 N N -0.396 118.166 118.700 -0.229 0.000 2.194 611 N HA 0.156 4.828 4.740 -0.114 0.000 0.231 611 N C 0.479 176.167 175.510 0.298 0.000 1.247 611 N CA 0.223 53.264 53.050 -0.015 0.000 0.884 611 N CB 1.605 39.930 38.487 -0.269 0.000 1.146 611 N HN 0.161 nan 8.380 nan 0.000 0.516 612 G N 0.071 108.938 108.800 0.112 0.000 2.695 612 G HA2 0.503 4.395 3.960 -0.114 0.000 0.213 612 G HA3 0.503 4.395 3.960 -0.114 0.000 0.213 612 G C 0.852 175.692 174.900 -0.099 0.000 1.406 612 G CA 0.283 45.458 45.100 0.125 0.000 1.049 612 G HN 0.072 nan 8.290 nan 0.000 0.573 613 A N -1.150 121.387 122.820 -0.472 0.000 2.067 613 A HA 0.104 4.355 4.320 -0.114 0.000 0.217 613 A C 1.445 178.686 177.584 -0.572 0.000 1.156 613 A CA 0.966 52.538 52.037 -0.774 0.000 0.683 613 A CB -0.244 17.829 19.000 -1.544 0.000 0.808 613 A HN 0.525 nan 8.150 nan 0.000 0.455 614 N N 0.064 118.488 118.700 -0.461 0.000 2.735 614 N HA 0.153 4.825 4.740 -0.114 0.000 0.312 614 N C -2.595 172.834 175.510 -0.135 0.000 1.843 614 N CA -1.077 51.881 53.050 -0.153 0.000 0.945 614 N CB 0.947 39.410 38.487 -0.040 0.000 1.299 614 N HN 0.123 nan 8.380 nan 0.000 0.489 615 P HA 0.052 nan 4.420 nan 0.000 0.258 615 P C 0.910 178.157 177.300 -0.087 0.000 1.559 615 P CA 0.253 63.226 63.100 -0.211 0.000 0.855 615 P CB -0.133 31.330 31.700 -0.395 0.000 1.594 616 V N -4.450 115.464 119.914 -0.000 0.000 3.477 616 V HA 0.291 4.343 4.120 -0.114 0.000 0.297 616 V C 1.490 177.653 176.094 0.114 0.000 1.433 616 V CA 0.141 62.505 62.300 0.107 0.000 1.052 616 V CB -0.322 31.591 31.823 0.150 0.000 0.895 616 V HN 0.054 nan 8.190 nan 0.000 0.438 617 I N -0.300 120.291 120.570 0.036 0.000 3.616 617 I HA 0.384 4.485 4.170 -0.114 0.000 0.296 617 I C 0.898 176.963 176.117 -0.086 0.000 1.226 617 I CA -0.168 61.083 61.300 -0.081 0.000 1.394 617 I CB 0.964 38.730 38.000 -0.390 0.000 1.171 617 I HN 0.339 nan 8.210 nan 0.000 0.442 618 L N 2.121 123.306 121.223 -0.064 0.000 2.540 618 L HA 0.134 4.405 4.340 -0.114 0.000 0.276 618 L C -0.501 176.381 176.870 0.019 0.000 1.212 618 L CA 1.280 56.070 54.840 -0.083 0.000 0.893 618 L CB 0.452 42.372 42.059 -0.232 0.000 1.138 618 L HN 0.102 nan 8.230 nan 0.000 0.491 619 T N 5.181 119.786 114.554 0.085 0.000 2.900 619 T HA 0.369 4.650 4.350 -0.114 0.000 0.295 619 T C -0.447 174.373 174.700 0.199 0.000 1.044 619 T CA -0.741 61.438 62.100 0.132 0.000 0.995 619 T CB 1.490 70.396 68.868 0.062 0.000 1.072 619 T HN 0.576 nan 8.240 nan 0.000 0.473 620 R N 0.931 121.528 120.500 0.163 0.000 2.538 620 R HA 0.169 4.441 4.340 -0.114 0.000 0.282 620 R C -0.225 175.989 176.300 -0.143 0.000 1.009 620 R CA -0.120 55.881 56.100 -0.164 0.000 1.063 620 R CB -0.028 30.192 30.300 -0.134 0.000 0.945 620 R HN 0.668 nan 8.270 nan 0.000 0.414 621 C N 5.698 124.861 119.300 -0.228 0.000 2.281 621 C HA 0.190 4.582 4.460 -0.114 0.000 0.336 621 C C 0.765 175.691 174.990 -0.107 0.000 1.217 621 C CA -0.713 58.249 59.018 -0.093 0.000 1.730 621 C CB -0.279 27.440 27.740 -0.035 0.000 2.338 621 C HN 0.827 nan 8.230 nan 0.000 0.521 622 D N 2.913 123.276 120.400 -0.061 0.000 2.323 622 D HA 0.237 4.809 4.640 -0.114 0.000 0.218 622 D C 0.533 176.813 176.300 -0.033 0.000 0.973 622 D CA 0.895 54.862 54.000 -0.054 0.000 0.890 622 D CB 0.473 41.249 40.800 -0.039 0.000 1.011 622 D HN 0.718 nan 8.370 nan 0.000 0.499 623 A N 0.687 123.498 122.820 -0.015 0.000 2.459 623 A HA 0.416 4.668 4.320 -0.114 0.000 0.296 623 A C -0.802 176.791 177.584 0.015 0.000 1.039 623 A CA -0.596 51.438 52.037 -0.006 0.000 0.698 623 A CB 1.325 20.323 19.000 -0.002 0.000 1.261 623 A HN -0.037 nan 8.150 nan 0.000 0.405 624 L N 2.611 123.839 121.223 0.009 0.000 2.540 624 L HA 0.162 4.434 4.340 -0.114 0.000 0.276 624 L C -1.836 175.076 176.870 0.070 0.000 1.212 624 L CA -0.460 54.400 54.840 0.034 0.000 0.893 624 L CB -0.303 41.732 42.059 -0.041 0.000 1.138 624 L HN 0.476 nan 8.230 nan 0.000 0.491 625 P HA 0.022 nan 4.420 nan 0.000 0.265 625 P C 0.871 178.242 177.300 0.117 0.000 1.193 625 P CA -0.055 63.123 63.100 0.130 0.000 0.765 625 P CB 0.507 32.312 31.700 0.175 0.000 0.823 626 S N 2.551 118.296 115.700 0.076 0.000 2.387 626 S HA -0.272 4.130 4.470 -0.114 0.000 0.230 626 S C 1.228 175.876 174.600 0.079 0.000 1.035 626 S CA 1.707 59.942 58.200 0.058 0.000 1.014 626 S CB -1.355 61.870 63.200 0.041 0.000 0.836 626 S HN 0.702 nan 8.310 nan 0.000 0.466 627 N N -0.450 118.314 118.700 0.107 0.000 2.449 627 N HA 0.083 4.755 4.740 -0.114 0.000 0.191 627 N C -0.082 175.559 175.510 0.217 0.000 1.161 627 N CA -0.120 53.002 53.050 0.120 0.000 0.863 627 N CB -0.112 38.428 38.487 0.088 0.000 0.980 627 N HN 0.402 nan 8.380 nan 0.000 0.458 628 F N 1.719 121.676 119.950 0.011 0.000 2.660 628 F HA 0.467 4.926 4.527 -0.114 0.000 0.352 628 F C -2.696 173.101 175.800 -0.006 0.000 1.257 628 F CA -3.470 54.532 58.000 0.004 0.000 1.200 628 F CB 1.287 40.297 39.000 0.016 0.000 1.473 628 F HN -0.016 nan 8.300 nan 0.000 0.561 629 P HA 0.091 nan 4.420 nan 0.000 0.218 629 P C -0.325 176.877 177.300 -0.164 0.000 1.793 629 P CA 0.282 63.331 63.100 -0.084 0.000 0.941 629 P CB 0.115 31.816 31.700 0.002 0.000 1.919 630 V N 1.419 121.098 119.914 -0.392 0.000 2.614 630 V HA 0.250 4.302 4.120 -0.114 0.000 0.291 630 V C 1.310 177.385 176.094 -0.031 0.000 1.049 630 V CA 0.194 62.308 62.300 -0.311 0.000 1.038 630 V CB 0.671 32.143 31.823 -0.585 0.000 0.980 630 V HN 0.435 nan 8.190 nan 0.000 0.481 631 T N 0.318 115.009 114.554 0.228 0.000 2.942 631 T HA 0.316 4.598 4.350 -0.114 0.000 0.289 631 T C 0.692 175.371 174.700 -0.035 0.000 1.044 631 T CA -0.569 61.541 62.100 0.017 0.000 1.023 631 T CB 1.437 70.230 68.868 -0.126 0.000 1.123 631 T HN 0.477 nan 8.240 nan 0.000 0.512 632 N N 0.401 119.053 118.700 -0.081 0.000 2.520 632 N HA -0.023 4.649 4.740 -0.114 0.000 0.185 632 N C 1.913 177.355 175.510 -0.114 0.000 1.068 632 N CA 1.763 54.758 53.050 -0.092 0.000 0.911 632 N CB -0.330 38.103 38.487 -0.090 0.000 0.961 632 N HN 0.827 nan 8.380 nan 0.000 0.446 633 E N 0.311 120.415 120.200 -0.160 0.000 2.006 633 E HA -0.193 4.088 4.350 -0.114 0.000 0.192 633 E C 1.757 178.249 176.600 -0.180 0.000 0.993 633 E CA 1.535 57.811 56.400 -0.206 0.000 0.808 633 E CB -1.343 28.181 29.700 -0.293 0.000 0.764 633 E HN 0.569 nan 8.360 nan 0.000 0.449 634 H N -0.579 118.423 119.070 -0.112 0.000 2.330 634 H HA -0.111 4.377 4.556 -0.114 0.000 0.290 634 H C 2.090 177.360 175.328 -0.097 0.000 1.111 634 H CA 2.107 58.090 56.048 -0.107 0.000 1.226 634 H CB -0.441 29.248 29.762 -0.123 0.000 1.355 634 H HN 0.297 nan 8.280 nan 0.000 0.485 635 V N 0.400 120.324 119.914 0.017 0.000 3.605 635 V HA -0.016 4.036 4.120 -0.114 0.000 0.284 635 V C 1.848 177.888 176.094 -0.090 0.000 1.386 635 V CA 0.360 62.642 62.300 -0.032 0.000 1.053 635 V CB 0.098 31.882 31.823 -0.064 0.000 0.857 635 V HN 0.310 nan 8.190 nan 0.000 0.436 636 N N 1.869 120.496 118.700 -0.122 0.000 2.149 636 N HA -0.169 4.502 4.740 -0.114 0.000 0.188 636 N C 1.774 177.182 175.510 -0.170 0.000 1.019 636 N CA 1.716 54.675 53.050 -0.150 0.000 0.857 636 N CB -0.118 38.284 38.487 -0.141 0.000 0.997 636 N HN 0.441 nan 8.380 nan 0.000 0.426 637 A N -0.977 121.699 122.820 -0.240 0.000 2.125 637 A HA -0.028 4.224 4.320 -0.114 0.000 0.219 637 A C 2.179 179.709 177.584 -0.089 0.000 1.156 637 A CA 1.484 53.337 52.037 -0.307 0.000 0.671 637 A CB -0.406 18.114 19.000 -0.799 0.000 0.794 637 A HN 0.336 nan 8.150 nan 0.000 0.459 638 S N -0.541 115.170 115.700 0.018 0.000 2.446 638 S HA 0.200 4.601 4.470 -0.114 0.000 0.225 638 S C 0.710 175.264 174.600 -0.077 0.000 1.016 638 S CA -0.054 58.181 58.200 0.060 0.000 0.943 638 S CB -0.262 62.967 63.200 0.048 0.000 0.786 638 S HN 0.501 nan 8.310 nan 0.000 0.508 639 L N 2.653 123.721 121.223 -0.257 0.000 2.436 639 L HA 0.266 4.537 4.340 -0.114 0.000 0.265 639 L C 0.649 177.470 176.870 -0.083 0.000 1.168 639 L CA -0.175 54.416 54.840 -0.415 0.000 0.815 639 L CB 0.254 42.054 42.059 -0.431 0.000 1.109 639 L HN 0.222 nan 8.230 nan 0.000 0.462 640 D N -0.542 119.895 120.400 0.062 0.000 2.640 640 D HA 0.037 4.609 4.640 -0.114 0.000 0.282 640 D C 0.927 177.273 176.300 0.076 0.000 1.558 640 D CA -0.282 53.770 54.000 0.087 0.000 0.820 640 D CB 0.199 41.070 40.800 0.119 0.000 1.243 640 D HN 0.447 nan 8.370 nan 0.000 0.456 641 R N -0.051 120.500 120.500 0.085 0.000 2.279 641 R HA 0.447 4.718 4.340 -0.114 0.000 0.195 641 R C 1.196 177.517 176.300 0.034 0.000 0.905 641 R CA 0.690 56.825 56.100 0.058 0.000 1.044 641 R CB 1.032 31.381 30.300 0.083 0.000 1.056 641 R HN 0.186 nan 8.270 nan 0.000 0.535 642 G N 1.085 109.897 108.800 0.019 0.000 2.198 642 G HA2 -0.162 3.729 3.960 -0.114 0.000 0.156 642 G HA3 -0.162 3.729 3.960 -0.114 0.000 0.156 642 G C -0.225 174.674 174.900 -0.002 0.000 1.012 642 G CA -0.556 44.546 45.100 0.003 0.000 0.692 642 G HN 0.112 nan 8.290 nan 0.000 0.492 643 K N -0.194 120.206 120.400 0.000 0.000 2.346 643 K HA 0.617 4.868 4.320 -0.114 0.000 0.238 643 K C -0.451 176.124 176.600 -0.042 0.000 1.039 643 K CA -1.115 55.169 56.287 -0.005 0.000 0.861 643 K CB 1.090 33.609 32.500 0.031 0.000 1.278 643 K HN 0.039 nan 8.250 nan 0.000 0.460 644 N N 0.465 119.138 118.700 -0.045 0.000 2.530 644 N HA 0.169 4.840 4.740 -0.114 0.000 0.283 644 N C 0.833 176.298 175.510 -0.074 0.000 1.238 644 N CA -0.505 52.502 53.050 -0.072 0.000 0.971 644 N CB 0.544 38.993 38.487 -0.063 0.000 1.195 644 N HN 0.376 nan 8.380 nan 0.000 0.583 645 L N 1.999 123.168 121.223 -0.090 0.000 1.956 645 L HA -0.217 4.054 4.340 -0.114 0.000 0.216 645 L C 2.120 178.961 176.870 -0.048 0.000 1.073 645 L CA 2.878 57.669 54.840 -0.082 0.000 0.762 645 L CB -1.295 40.712 42.059 -0.087 0.000 0.889 645 L HN 0.768 nan 8.230 nan 0.000 0.433 646 D N -1.639 118.733 120.400 -0.046 0.000 2.228 646 D HA -0.237 4.334 4.640 -0.114 0.000 0.203 646 D C 1.836 178.122 176.300 -0.025 0.000 0.988 646 D CA 1.715 55.693 54.000 -0.036 0.000 0.864 646 D CB -0.519 40.259 40.800 -0.036 0.000 0.928 646 D HN 0.738 nan 8.370 nan 0.000 0.469 647 E N -0.356 119.833 120.200 -0.018 0.000 2.051 647 E HA -0.103 4.178 4.350 -0.114 0.000 0.189 647 E C 2.253 178.867 176.600 0.024 0.000 0.979 647 E CA 0.803 57.203 56.400 -0.001 0.000 0.803 647 E CB 0.027 29.729 29.700 0.004 0.000 0.761 647 E HN 0.417 nan 8.360 nan 0.000 0.451 648 E N 0.809 121.037 120.200 0.047 0.000 2.204 648 E HA -0.139 4.143 4.350 -0.114 0.000 0.195 648 E C 2.113 178.757 176.600 0.073 0.000 0.990 648 E CA 0.622 57.103 56.400 0.135 0.000 0.821 648 E CB -0.102 29.704 29.700 0.177 0.000 0.750 648 E HN 0.369 nan 8.360 nan 0.000 0.477 649 I N 0.835 121.412 120.570 0.011 0.000 2.286 649 I HA -0.274 3.827 4.170 -0.114 0.000 0.248 649 I C 2.372 178.450 176.117 -0.065 0.000 1.115 649 I CA 1.107 62.384 61.300 -0.039 0.000 1.392 649 I CB -0.141 37.836 38.000 -0.039 0.000 1.065 649 I HN -0.051 nan 8.210 nan 0.000 0.418 650 K N -0.562 119.811 120.400 -0.046 0.000 2.155 650 K HA -0.112 4.140 4.320 -0.114 0.000 0.203 650 K C 1.548 178.100 176.600 -0.080 0.000 1.052 650 K CA 0.904 57.159 56.287 -0.053 0.000 0.948 650 K CB -0.540 31.941 32.500 -0.032 0.000 0.728 650 K HN 0.408 nan 8.250 nan 0.000 0.448 651 D N -0.334 120.012 120.400 -0.091 0.000 2.371 651 D HA -0.005 4.567 4.640 -0.114 0.000 0.221 651 D C 0.949 177.001 176.300 -0.413 0.000 0.986 651 D CA 1.020 54.901 54.000 -0.198 0.000 0.899 651 D CB 0.091 40.832 40.800 -0.099 0.000 0.902 651 D HN 0.489 nan 8.370 nan 0.000 0.530 652 G N 1.075 109.709 108.800 -0.276 0.000 2.246 652 G HA2 -0.298 3.594 3.960 -0.114 0.000 0.273 652 G HA3 -0.298 3.594 3.960 -0.114 0.000 0.273 652 G C 0.360 175.142 174.900 -0.197 0.000 1.055 652 G CA 0.424 45.368 45.100 -0.261 0.000 0.851 652 G HN 0.533 nan 8.290 nan 0.000 0.500 653 H N -1.354 117.739 119.070 0.039 0.000 2.893 653 H HA 0.342 4.829 4.556 -0.114 0.000 0.270 653 H C 0.759 176.232 175.328 0.243 0.000 1.095 653 H CA -0.589 55.575 56.048 0.193 0.000 1.186 653 H CB 0.863 30.746 29.762 0.202 0.000 1.562 653 H HN 0.341 nan 8.280 nan 0.000 0.536 654 I N 1.514 122.120 120.570 0.060 0.000 2.378 654 I HA 0.195 4.297 4.170 -0.114 0.000 0.291 654 I C -0.764 175.182 176.117 -0.284 0.000 0.992 654 I CA -0.653 60.694 61.300 0.078 0.000 1.154 654 I CB 0.668 38.711 38.000 0.071 0.000 1.315 654 I HN 0.087 nan 8.210 nan 0.000 0.448 655 Y N 5.809 126.220 120.300 0.184 0.000 2.562 655 Y HA 0.684 5.166 4.550 -0.114 0.000 0.343 655 Y C -0.034 176.005 175.900 0.232 0.000 1.025 655 Y CA -0.862 57.321 58.100 0.138 0.000 1.082 655 Y CB 2.700 41.180 38.460 0.034 0.000 1.264 655 Y HN 0.440 nan 8.280 nan 0.000 0.478 656 I N 2.063 122.807 120.570 0.291 0.000 2.802 656 I HA 0.700 4.801 4.170 -0.114 0.000 0.298 656 I C -1.588 174.615 176.117 0.143 0.000 1.176 656 I CA -1.090 60.369 61.300 0.265 0.000 1.025 656 I CB 1.782 39.898 38.000 0.194 0.000 1.243 656 I HN 0.469 nan 8.210 nan 0.000 0.424 657 V N 2.529 122.518 119.914 0.125 0.000 2.555 657 V HA 0.731 4.783 4.120 -0.114 0.000 0.302 657 V C -1.335 174.674 176.094 -0.142 0.000 1.038 657 V CA -0.296 61.955 62.300 -0.082 0.000 0.887 657 V CB 1.674 33.447 31.823 -0.084 0.000 0.991 657 V HN 0.761 nan 8.190 nan 0.000 0.434 658 D N 3.001 123.221 120.400 -0.299 0.000 2.476 658 D HA 0.426 4.998 4.640 -0.114 0.000 0.251 658 D C -0.560 175.578 176.300 -0.270 0.000 1.291 658 D CA -0.510 53.373 54.000 -0.196 0.000 0.939 658 D CB 1.303 42.046 40.800 -0.096 0.000 1.221 658 D HN 0.490 nan 8.370 nan 0.000 0.567 659 F N 2.667 122.605 119.950 -0.021 0.000 2.701 659 F HA 0.124 4.583 4.527 -0.115 0.000 0.295 659 F C 2.114 177.982 175.800 0.112 0.000 1.165 659 F CA -0.236 57.782 58.000 0.029 0.000 1.399 659 F CB 0.252 39.268 39.000 0.027 0.000 0.996 659 F HN 0.385 nan 8.300 nan 0.000 0.513 660 K N -0.937 119.575 120.400 0.187 0.000 2.281 660 K HA -0.146 4.105 4.320 -0.114 0.000 0.203 660 K C 1.855 178.582 176.600 0.212 0.000 1.046 660 K CA 1.290 57.673 56.287 0.161 0.000 0.938 660 K CB -0.671 31.884 32.500 0.092 0.000 0.737 660 K HN 0.319 nan 8.250 nan 0.000 0.458 661 V N 1.385 121.478 119.914 0.298 0.000 2.720 661 V HA -0.115 3.936 4.120 -0.114 0.000 0.256 661 V C 1.785 178.158 176.094 0.464 0.000 1.082 661 V CA 1.241 63.748 62.300 0.346 0.000 1.101 661 V CB -0.277 31.767 31.823 0.369 0.000 0.693 661 V HN 0.421 nan 8.190 nan 0.000 0.479 662 L N -0.291 121.193 121.223 0.435 0.000 2.395 662 L HA 0.052 4.324 4.340 -0.114 0.000 0.218 662 L C 0.912 177.883 176.870 0.167 0.000 1.130 662 L CA 0.005 55.014 54.840 0.281 0.000 0.826 662 L CB -0.097 42.071 42.059 0.182 0.000 0.941 662 L HN 0.113 nan 8.230 nan 0.000 0.451 663 V N 1.088 121.092 119.914 0.151 0.000 2.644 663 V HA 0.060 4.112 4.120 -0.114 0.000 0.305 663 V C 1.391 177.539 176.094 0.090 0.000 1.053 663 V CA 1.306 63.654 62.300 0.081 0.000 1.186 663 V CB 0.086 31.946 31.823 0.063 0.000 0.895 663 V HN 0.644 nan 8.190 nan 0.000 0.490 664 G N 3.336 112.165 108.800 0.048 0.000 2.175 664 G HA2 -0.091 3.801 3.960 -0.114 0.000 0.244 664 G HA3 -0.091 3.801 3.960 -0.114 0.000 0.244 664 G C 0.403 175.352 174.900 0.082 0.000 0.982 664 G CA 0.109 45.244 45.100 0.059 0.000 0.641 664 G HN 1.631 nan 8.290 nan 0.000 0.527 665 A N 0.205 123.078 122.820 0.088 0.000 2.488 665 A HA 0.562 4.813 4.320 -0.114 0.000 0.249 665 A C 0.531 178.170 177.584 0.092 0.000 1.083 665 A CA 1.013 53.103 52.037 0.088 0.000 0.768 665 A CB 0.331 19.334 19.000 0.006 0.000 1.017 665 A HN 0.610 nan 8.150 nan 0.000 0.496 666 K N 2.626 123.080 120.400 0.090 0.000 2.253 666 K HA 0.408 4.659 4.320 -0.114 0.000 0.277 666 K C -0.365 176.279 176.600 0.073 0.000 1.053 666 K CA -0.160 56.175 56.287 0.081 0.000 0.892 666 K CB 0.582 33.116 32.500 0.057 0.000 1.102 666 K HN 0.687 nan 8.250 nan 0.000 0.469 667 S N 2.390 118.129 115.700 0.064 0.000 2.672 667 S HA 0.150 4.551 4.470 -0.114 0.000 0.276 667 S C -0.826 173.782 174.600 0.013 0.000 1.207 667 S CA -0.648 57.575 58.200 0.039 0.000 1.002 667 S CB 0.369 63.567 63.200 -0.002 0.000 0.998 667 S HN 0.534 nan 8.310 nan 0.000 0.542 668 Y N 1.116 121.368 120.300 -0.080 0.000 2.805 668 Y HA 0.282 4.763 4.550 -0.115 0.000 0.337 668 Y C 1.474 177.298 175.900 -0.127 0.000 1.252 668 Y CA 1.990 60.041 58.100 -0.083 0.000 1.515 668 Y CB -0.054 38.353 38.460 -0.087 0.000 1.305 668 Y HN 0.913 nan 8.280 nan 0.000 0.600 669 G N 2.053 110.607 108.800 -0.410 0.000 2.358 669 G HA2 -0.174 3.717 3.960 -0.114 0.000 0.224 669 G HA3 -0.174 3.717 3.960 -0.114 0.000 0.224 669 G C 0.910 175.698 174.900 -0.186 0.000 1.073 669 G CA 0.477 45.436 45.100 -0.236 0.000 0.635 669 G HN 2.008 nan 8.290 nan 0.000 0.509 670 G N -0.999 107.707 108.800 -0.156 0.000 3.033 670 G HA2 0.112 4.004 3.960 -0.114 0.000 0.208 670 G HA3 0.112 4.004 3.960 -0.114 0.000 0.208 670 G C -1.936 172.942 174.900 -0.037 0.000 1.006 670 G CA 0.499 45.545 45.100 -0.090 0.000 0.808 670 G HN 0.984 nan 8.290 nan 0.000 0.499 671 P HA 0.456 nan 4.420 nan 0.000 0.263 671 P C -0.150 177.282 177.300 0.220 0.000 1.195 671 P CA 0.234 63.362 63.100 0.047 0.000 0.762 671 P CB 1.499 33.029 31.700 -0.283 0.000 0.799 672 V N 5.299 125.377 119.914 0.272 0.000 2.398 672 V HA 0.179 4.231 4.120 -0.114 0.000 0.286 672 V C 0.281 176.433 176.094 0.097 0.000 1.026 672 V CA -0.833 61.575 62.300 0.179 0.000 0.868 672 V CB 1.466 33.346 31.823 0.095 0.000 0.982 672 V HN 0.385 nan 8.190 nan 0.000 0.443 673 L N 5.371 126.577 121.223 -0.029 0.000 2.367 673 L HA 0.611 4.882 4.340 -0.114 0.000 0.275 673 L C 0.390 177.132 176.870 -0.213 0.000 1.129 673 L CA 0.867 55.489 54.840 -0.364 0.000 0.839 673 L CB 0.646 42.588 42.059 -0.195 0.000 1.133 673 L HN 0.904 nan 8.230 nan 0.000 0.453 674 E N 2.184 122.220 120.200 -0.274 0.000 2.281 674 E HA 0.349 4.631 4.350 -0.114 0.000 0.257 674 E C 0.532 177.068 176.600 -0.106 0.000 0.971 674 E CA 0.143 56.467 56.400 -0.126 0.000 0.839 674 E CB 0.425 30.073 29.700 -0.085 0.000 1.238 674 E HN 0.750 nan 8.360 nan 0.000 0.412 675 D N -0.512 119.860 120.400 -0.048 0.000 2.221 675 D HA -0.160 4.411 4.640 -0.114 0.000 0.204 675 D C 1.411 177.691 176.300 -0.034 0.000 0.982 675 D CA 1.748 55.732 54.000 -0.026 0.000 0.857 675 D CB -0.505 40.294 40.800 -0.002 0.000 0.934 675 D HN 0.541 nan 8.370 nan 0.000 0.475 676 I N -3.748 116.796 120.570 -0.044 0.000 3.883 676 I HA 0.576 4.677 4.170 -0.114 0.000 0.326 676 I C 1.398 177.476 176.117 -0.064 0.000 1.283 676 I CA 0.002 61.282 61.300 -0.034 0.000 1.161 676 I CB 0.338 38.331 38.000 -0.011 0.000 1.012 676 I HN 0.241 nan 8.210 nan 0.000 0.421 677 G N 0.416 109.131 108.800 -0.143 0.000 2.541 677 G HA2 -0.140 3.751 3.960 -0.114 0.000 0.208 677 G HA3 -0.140 3.751 3.960 -0.114 0.000 0.208 677 G C -1.109 173.561 174.900 -0.383 0.000 1.191 677 G CA -0.493 44.463 45.100 -0.240 0.000 1.217 677 G HN 0.167 nan 8.290 nan 0.000 0.566 678 Y N 2.437 122.756 120.300 0.033 0.000 2.328 678 Y HA 0.677 5.159 4.550 -0.114 0.000 0.333 678 Y C 0.820 176.756 175.900 0.060 0.000 0.958 678 Y CA 0.212 58.359 58.100 0.078 0.000 1.167 678 Y CB 1.449 40.001 38.460 0.154 0.000 1.151 678 Y HN 0.908 nan 8.280 nan 0.000 0.470 690 D N 1.388 121.815 120.400 0.045 0.000 2.402 690 D HA 0.504 5.075 4.640 -0.114 0.000 0.235 690 D C -1.021 175.350 176.300 0.118 0.000 1.226 690 D CA 0.466 54.506 54.000 0.066 0.000 0.918 690 D CB -0.037 40.827 40.800 0.107 0.000 1.043 690 D HN 0.309 nan 8.370 nan 0.000 0.506 691 I N 3.950 124.530 120.570 0.015 0.000 2.439 691 I HA 0.302 4.403 4.170 -0.114 0.000 0.283 691 I C 0.176 176.177 176.117 -0.194 0.000 1.023 691 I CA -0.442 60.811 61.300 -0.079 0.000 1.100 691 I CB 1.383 39.332 38.000 -0.085 0.000 1.238 691 I HN 0.095 nan 8.210 nan 0.000 0.445 692 R N 4.934 125.274 120.500 -0.267 0.000 2.758 692 R HA 0.753 5.025 4.340 -0.114 0.000 0.265 692 R C -1.476 174.501 176.300 -0.539 0.000 1.016 692 R CA -0.865 55.092 56.100 -0.238 0.000 1.040 692 R CB 1.718 31.971 30.300 -0.078 0.000 1.152 692 R HN 0.343 nan 8.270 nan 0.000 0.503 693 Y N -0.929 119.372 120.300 0.001 0.000 2.553 693 Y HA 0.512 4.993 4.550 -0.114 0.000 0.347 693 Y C -0.162 175.887 175.900 0.248 0.000 1.019 693 Y CA -0.694 57.462 58.100 0.094 0.000 1.032 693 Y CB 2.049 40.589 38.460 0.133 0.000 1.284 693 Y HN 0.520 nan 8.280 nan 0.000 0.466 694 C N 0.916 120.575 119.300 0.599 0.000 3.307 694 C HA 0.996 5.387 4.460 -0.114 0.000 0.350 694 C C -0.927 174.402 174.990 0.564 0.000 1.549 694 C CA -0.188 59.112 59.018 0.469 0.000 1.396 694 C CB 1.240 29.110 27.740 0.216 0.000 1.970 694 C HN 1.012 nan 8.230 nan 0.000 0.441 695 A N 0.050 123.078 122.820 0.347 0.000 2.594 695 A HA 0.858 5.109 4.320 -0.114 0.000 0.291 695 A C -1.011 176.647 177.584 0.124 0.000 1.105 695 A CA 0.228 52.396 52.037 0.219 0.000 0.694 695 A CB 1.012 20.179 19.000 0.278 0.000 1.291 695 A HN 1.916 nan 8.150 nan 0.000 0.410 696 A N 1.771 124.647 122.820 0.093 0.000 3.150 696 A HA 0.691 4.942 4.320 -0.114 0.000 0.328 696 A C -2.737 174.930 177.584 0.138 0.000 1.104 696 A CA -1.401 50.722 52.037 0.143 0.000 0.937 696 A CB -0.378 18.695 19.000 0.121 0.000 1.073 696 A HN 0.459 nan 8.150 nan 0.000 0.497 697 P HA 0.511 nan 4.420 nan 0.000 0.276 697 P C -0.645 176.707 177.300 0.087 0.000 1.261 697 P CA -0.270 62.900 63.100 0.116 0.000 0.800 697 P CB 0.919 32.710 31.700 0.152 0.000 1.066 698 L N 0.308 121.421 121.223 -0.185 0.000 2.342 698 L HA 0.821 5.092 4.340 -0.114 0.000 0.271 698 L C 0.076 176.705 176.870 -0.403 0.000 1.008 698 L CA -0.534 54.026 54.840 -0.465 0.000 0.818 698 L CB 1.715 43.053 42.059 -1.202 0.000 1.296 698 L HN 0.422 nan 8.230 nan 0.000 0.427 699 A N 2.299 125.034 122.820 -0.141 0.000 2.520 699 A HA 0.832 5.083 4.320 -0.114 0.000 0.298 699 A C -1.832 175.831 177.584 0.131 0.000 1.051 699 A CA -0.406 51.660 52.037 0.047 0.000 0.690 699 A CB 1.500 20.535 19.000 0.058 0.000 1.281 699 A HN 0.517 nan 8.150 nan 0.000 0.402 700 L N 1.479 122.752 121.223 0.083 0.000 2.334 700 L HA 0.886 5.158 4.340 -0.114 0.000 0.276 700 L C -1.400 175.333 176.870 -0.227 0.000 1.014 700 L CA -0.182 54.724 54.840 0.110 0.000 0.815 700 L CB 1.248 43.417 42.059 0.182 0.000 1.268 700 L HN 0.631 nan 8.230 nan 0.000 0.428 701 F N 3.275 123.327 119.950 0.170 0.000 2.577 701 F HA 0.490 4.948 4.527 -0.114 0.000 0.318 701 F C -1.093 174.878 175.800 0.286 0.000 1.065 701 F CA -0.600 57.509 58.000 0.182 0.000 0.929 701 F CB 1.763 40.815 39.000 0.087 0.000 1.237 701 F HN 0.310 nan 8.300 nan 0.000 0.468 702 Y N 1.626 122.105 120.300 0.298 0.000 2.373 702 Y HA 0.668 5.150 4.550 -0.114 0.000 0.336 702 Y C -1.465 174.548 175.900 0.190 0.000 0.979 702 Y CA -1.483 56.750 58.100 0.222 0.000 1.080 702 Y CB 1.425 39.958 38.460 0.122 0.000 1.190 702 Y HN 0.342 nan 8.280 nan 0.000 0.446 703 V N 7.805 127.541 119.914 -0.296 0.000 2.405 703 V HA 0.123 4.175 4.120 -0.114 0.000 0.264 703 V C 0.147 175.614 176.094 -1.045 0.000 1.048 703 V CA -0.473 61.563 62.300 -0.439 0.000 0.966 703 V CB -0.407 31.339 31.823 -0.130 0.000 1.015 703 V HN 0.841 nan 8.190 nan 0.000 0.477 704 N N 5.546 123.799 118.700 -0.746 0.000 2.364 704 N HA 0.144 4.816 4.740 -0.114 0.000 0.264 704 N C 1.004 176.258 175.510 -0.426 0.000 1.263 704 N CA -0.508 52.159 53.050 -0.639 0.000 0.959 704 N CB 0.431 38.771 38.487 -0.245 0.000 1.204 704 N HN 0.587 nan 8.380 nan 0.000 0.550 705 K N -0.571 119.671 120.400 -0.264 0.000 2.288 705 K HA 0.016 4.268 4.320 -0.114 0.000 0.201 705 K C 1.406 177.875 176.600 -0.217 0.000 1.048 705 K CA 0.946 57.111 56.287 -0.204 0.000 0.956 705 K CB -0.370 32.065 32.500 -0.107 0.000 0.746 705 K HN 0.424 nan 8.250 nan 0.000 0.461 706 L N 0.475 121.510 121.223 -0.313 0.000 2.492 706 L HA 0.114 4.385 4.340 -0.114 0.000 0.223 706 L C 1.200 177.837 176.870 -0.389 0.000 1.132 706 L CA 0.734 55.324 54.840 -0.416 0.000 0.850 706 L CB -0.165 41.471 42.059 -0.705 0.000 0.966 706 L HN 0.657 nan 8.230 nan 0.000 0.454 707 G N -0.855 107.753 108.800 -0.321 0.000 2.159 707 G HA2 -0.239 3.653 3.960 -0.114 0.000 0.227 707 G HA3 -0.239 3.653 3.960 -0.114 0.000 0.227 707 G C 0.062 174.931 174.900 -0.052 0.000 0.986 707 G CA -0.366 44.634 45.100 -0.165 0.000 0.651 707 G HN 0.515 nan 8.290 nan 0.000 0.523 708 H N -0.685 118.295 119.070 -0.149 0.000 2.683 708 H HA 0.437 4.925 4.556 -0.114 0.000 0.339 708 H C 0.147 175.395 175.328 -0.133 0.000 1.081 708 H CA -0.762 55.200 56.048 -0.144 0.000 1.432 708 H CB 1.701 31.372 29.762 -0.153 0.000 1.462 708 H HN 0.162 nan 8.280 nan 0.000 0.557 709 L N 4.713 125.951 121.223 0.026 0.000 2.295 709 L HA 0.155 4.426 4.340 -0.114 0.000 0.288 709 L C -0.808 176.180 176.870 0.195 0.000 1.079 709 L CA -0.030 54.832 54.840 0.036 0.000 0.830 709 L CB 0.136 42.137 42.059 -0.097 0.000 1.200 709 L HN 0.579 nan 8.230 nan 0.000 0.438 710 M N 7.431 127.185 119.600 0.256 0.000 2.336 710 M HA 0.482 4.893 4.480 -0.114 0.000 0.342 710 M C -2.425 174.089 176.300 0.358 0.000 1.128 710 M CA -2.291 53.190 55.300 0.302 0.000 1.016 710 M CB 1.401 34.141 32.600 0.234 0.000 1.665 710 M HN 0.303 nan 8.290 nan 0.000 0.445 711 P HA 0.278 nan 4.420 nan 0.000 0.281 711 P C 0.222 177.564 177.300 0.069 0.000 1.252 711 P CA -0.123 62.986 63.100 0.014 0.000 0.778 711 P CB 0.562 32.440 31.700 0.296 0.000 0.895 712 I N 0.164 120.698 120.570 -0.059 0.000 4.471 712 I HA 0.618 4.719 4.170 -0.114 0.000 0.326 712 I C 0.201 176.260 176.117 -0.097 0.000 1.300 712 I CA -0.308 60.942 61.300 -0.083 0.000 1.237 712 I CB 0.666 38.655 38.000 -0.019 0.000 1.195 712 I HN 0.187 nan 8.210 nan 0.000 0.427 713 A N 1.622 124.458 122.820 0.026 0.000 2.540 713 A HA 0.811 5.063 4.320 -0.114 0.000 0.297 713 A C -1.344 176.436 177.584 0.327 0.000 1.056 713 A CA -0.321 51.800 52.037 0.139 0.000 0.700 713 A CB 1.365 20.373 19.000 0.014 0.000 1.280 713 A HN 0.243 nan 8.150 nan 0.000 0.398 714 I N 1.410 122.248 120.570 0.446 0.000 2.499 714 I HA 0.404 4.506 4.170 -0.114 0.000 0.288 714 I C -0.372 176.036 176.117 0.486 0.000 1.048 714 I CA -0.292 61.251 61.300 0.405 0.000 1.062 714 I CB 2.279 40.471 38.000 0.321 0.000 1.238 714 I HN 0.800 nan 8.210 nan 0.000 0.426 715 Q N 5.685 125.682 119.800 0.328 0.000 2.333 715 Q HA 0.474 4.746 4.340 -0.114 0.000 0.268 715 Q C 0.128 176.221 176.000 0.155 0.000 1.007 715 Q CA -0.489 55.487 55.803 0.288 0.000 0.810 715 Q CB 1.908 30.798 28.738 0.253 0.000 1.264 715 Q HN 0.737 nan 8.270 nan 0.000 0.452 716 I N 2.386 123.081 120.570 0.208 0.000 2.439 716 I HA -0.096 4.005 4.170 -0.114 0.000 0.251 716 I C 0.771 176.900 176.117 0.020 0.000 1.139 716 I CA 0.691 62.038 61.300 0.078 0.000 1.438 716 I CB 0.045 38.001 38.000 -0.072 0.000 1.085 716 I HN 0.559 nan 8.210 nan 0.000 0.427 717 N N -0.979 117.732 118.700 0.018 0.000 3.038 717 N HA 0.202 4.874 4.740 -0.114 0.000 0.307 717 N C 0.331 175.843 175.510 0.003 0.000 1.441 717 N CA -0.559 52.488 53.050 -0.005 0.000 0.772 717 N CB 1.274 39.732 38.487 -0.048 0.000 1.651 717 N HN -0.125 nan 8.380 nan 0.000 0.593 718 Q N 0.555 120.357 119.800 0.003 0.000 2.049 718 Q HA -0.043 4.229 4.340 -0.114 0.000 0.198 718 Q C -0.080 175.935 176.000 0.026 0.000 0.971 718 Q CA 1.349 57.159 55.803 0.011 0.000 0.833 718 Q CB -0.211 28.539 28.738 0.020 0.000 0.896 718 Q HN 0.505 nan 8.270 nan 0.000 0.434 719 E N 2.419 122.632 120.200 0.022 0.000 2.089 719 E HA 0.155 4.437 4.350 -0.114 0.000 0.284 719 E C -2.394 174.228 176.600 0.037 0.000 1.023 719 E CA -2.609 53.809 56.400 0.029 0.000 0.819 719 E CB 0.934 30.644 29.700 0.017 0.000 1.076 719 E HN -0.033 nan 8.360 nan 0.000 0.396 720 P HA 0.378 nan 4.420 nan 0.000 0.272 720 P C -0.193 177.125 177.300 0.029 0.000 1.223 720 P CA -0.201 62.932 63.100 0.054 0.000 0.784 720 P CB 1.381 33.125 31.700 0.072 0.000 0.923 721 G N 1.149 109.958 108.800 0.016 0.000 2.349 721 G HA2 0.323 4.215 3.960 -0.114 0.000 0.294 721 G HA3 0.323 4.215 3.960 -0.114 0.000 0.294 721 G C -2.759 172.132 174.900 -0.014 0.000 1.380 721 G CA -0.730 44.372 45.100 0.004 0.000 0.811 721 G HN 0.096 nan 8.290 nan 0.000 0.519 722 P HA 0.082 nan 4.420 nan 0.000 0.219 722 P C 1.054 178.337 177.300 -0.028 0.000 1.150 722 P CA 1.066 64.148 63.100 -0.031 0.000 0.814 722 P CB 0.296 31.986 31.700 -0.017 0.000 0.787 723 E N -1.333 118.867 120.200 -0.000 0.000 2.479 723 E HA 0.036 4.318 4.350 -0.114 0.000 0.193 723 E C 0.279 176.906 176.600 0.044 0.000 1.049 723 E CA 0.149 56.564 56.400 0.025 0.000 0.870 723 E CB -0.288 29.429 29.700 0.028 0.000 0.944 723 E HN 0.123 nan 8.360 nan 0.000 0.492 724 N N 1.275 119.990 118.700 0.026 0.000 2.726 724 N HA 0.115 4.787 4.740 -0.114 0.000 0.253 724 N C -2.832 172.682 175.510 0.008 0.000 1.530 724 N CA -1.814 51.272 53.050 0.059 0.000 0.772 724 N CB 0.901 39.416 38.487 0.047 0.000 1.220 724 N HN -0.136 nan 8.380 nan 0.000 0.508 725 P HA 0.349 nan 4.420 nan 0.000 0.282 725 P C -0.202 176.885 177.300 -0.355 0.000 1.287 725 P CA -0.493 62.420 63.100 -0.312 0.000 0.792 725 P CB 1.616 32.971 31.700 -0.575 0.000 1.163 726 I N 0.152 120.506 120.570 -0.360 0.000 2.325 726 I HA 0.165 4.267 4.170 -0.114 0.000 0.291 726 I C -0.038 175.890 176.117 -0.315 0.000 1.019 726 I CA -0.241 60.896 61.300 -0.271 0.000 1.302 726 I CB 0.062 37.735 38.000 -0.544 0.000 1.401 726 I HN 0.242 nan 8.210 nan 0.000 0.485 727 W N 4.928 126.286 121.300 0.096 0.000 2.448 727 W HA 0.670 5.262 4.660 -0.114 0.000 0.339 727 W C 0.405 176.999 176.519 0.124 0.000 1.124 727 W CA -0.486 56.958 57.345 0.166 0.000 1.262 727 W CB 1.105 30.737 29.460 0.287 0.000 1.251 727 W HN 0.229 nan 8.180 nan 0.000 0.597 728 T N 1.436 116.082 114.554 0.153 0.000 2.868 728 T HA 0.302 4.584 4.350 -0.114 0.000 0.306 728 T C -2.052 171.909 174.700 -1.232 0.000 1.224 728 T CA -1.770 60.067 62.100 -0.439 0.000 1.012 728 T CB 1.704 70.475 68.868 -0.162 0.000 1.221 728 T HN 0.117 nan 8.240 nan 0.000 0.499 729 P HA 0.001 nan 4.420 nan 0.000 0.231 729 P C 0.229 176.849 177.300 -1.133 0.000 1.158 729 P CA 1.084 62.896 63.100 -2.147 0.000 0.763 729 P CB -0.174 30.638 31.700 -1.481 0.000 0.805 730 H N -1.644 117.149 119.070 -0.462 0.000 2.542 730 H HA 0.172 4.659 4.556 -0.114 0.000 0.283 730 H C 0.484 175.743 175.328 -0.115 0.000 1.059 730 H CA -0.510 55.404 56.048 -0.224 0.000 1.162 730 H CB -0.054 29.603 29.762 -0.175 0.000 1.539 730 H HN -0.015 nan 8.280 nan 0.000 0.543 731 E N 1.427 121.617 120.200 -0.017 0.000 2.653 731 E HA -0.157 4.124 4.350 -0.114 0.000 0.264 731 E C 1.104 177.760 176.600 0.092 0.000 0.949 731 E CA 0.393 56.855 56.400 0.104 0.000 0.953 731 E CB 0.751 30.595 29.700 0.239 0.000 0.925 731 E HN 0.612 nan 8.360 nan 0.000 0.475 732 E N 2.317 122.574 120.200 0.095 0.000 2.072 732 E HA -0.185 4.096 4.350 -0.114 0.000 0.191 732 E C 0.464 177.120 176.600 0.093 0.000 0.985 732 E CA 0.525 56.971 56.400 0.077 0.000 0.801 732 E CB 0.209 29.949 29.700 0.066 0.000 0.750 732 E HN 0.247 nan 8.360 nan 0.000 0.452 733 N N 1.012 119.794 118.700 0.136 0.000 2.415 733 N HA -0.054 4.617 4.740 -0.114 0.000 0.246 733 N C 0.415 176.007 175.510 0.138 0.000 1.078 733 N CA 0.064 53.208 53.050 0.156 0.000 0.942 733 N CB 0.906 39.521 38.487 0.214 0.000 1.140 733 N HN 0.223 nan 8.380 nan 0.000 0.501 734 E N 2.943 123.153 120.200 0.017 0.000 2.118 734 E HA -0.262 4.020 4.350 -0.114 0.000 0.195 734 E C 0.387 176.985 176.600 -0.004 0.000 0.992 734 E CA 1.288 57.666 56.400 -0.037 0.000 0.804 734 E CB -0.357 29.237 29.700 -0.177 0.000 0.741 734 E HN 0.623 nan 8.360 nan 0.000 0.458 735 H N 0.804 119.972 119.070 0.163 0.000 2.491 735 H HA -0.034 4.454 4.556 -0.114 0.000 0.290 735 H C 1.197 176.597 175.328 0.121 0.000 1.050 735 H CA 1.349 57.491 56.048 0.156 0.000 1.309 735 H CB 0.011 29.867 29.762 0.156 0.000 1.392 735 H HN 0.319 nan 8.280 nan 0.000 0.554 736 D N 0.165 120.713 120.400 0.246 0.000 2.149 736 D HA -0.150 4.422 4.640 -0.114 0.000 0.201 736 D C 2.114 178.487 176.300 0.122 0.000 0.972 736 D CA 0.382 54.484 54.000 0.169 0.000 0.835 736 D CB -0.384 40.655 40.800 0.399 0.000 0.966 736 D HN 0.495 nan 8.370 nan 0.000 0.476 737 W N 0.803 122.101 121.300 -0.004 0.000 2.378 737 W HA -0.203 4.389 4.660 -0.114 0.000 0.313 737 W C 2.075 178.460 176.519 -0.224 0.000 1.197 737 W CA 0.505 57.801 57.345 -0.082 0.000 1.304 737 W CB -0.163 29.245 29.460 -0.086 0.000 1.148 737 W HN -0.089 nan 8.180 nan 0.000 0.494 738 M N 1.157 120.568 119.600 -0.316 0.000 2.082 738 M HA -0.296 4.115 4.480 -0.114 0.000 0.258 738 M C 2.334 178.216 176.300 -0.696 0.000 1.069 738 M CA 2.430 57.363 55.300 -0.612 0.000 1.102 738 M CB -0.946 31.506 32.600 -0.247 0.000 1.336 738 M HN 0.080 nan 8.290 nan 0.000 0.404 739 M N -0.174 119.280 119.600 -0.243 0.000 2.117 739 M HA -0.044 4.368 4.480 -0.114 0.000 0.262 739 M C 2.012 178.243 176.300 -0.114 0.000 1.065 739 M CA 2.132 57.406 55.300 -0.043 0.000 1.114 739 M CB -0.779 31.867 32.600 0.078 0.000 1.361 739 M HN 0.340 nan 8.290 nan 0.000 0.408 740 A N -0.063 122.560 122.820 -0.328 0.000 1.902 740 A HA -0.210 4.041 4.320 -0.114 0.000 0.217 740 A C 2.169 179.563 177.584 -0.317 0.000 1.181 740 A CA 1.995 53.836 52.037 -0.327 0.000 0.623 740 A CB -0.710 18.042 19.000 -0.412 0.000 0.818 740 A HN 0.593 nan 8.150 nan 0.000 0.443 741 K N -1.087 118.874 120.400 -0.732 0.000 2.063 741 K HA -0.142 4.109 4.320 -0.114 0.000 0.208 741 K C 1.710 178.127 176.600 -0.306 0.000 1.048 741 K CA 1.751 57.535 56.287 -0.838 0.000 0.928 741 K CB -0.431 31.145 32.500 -1.540 0.000 0.713 741 K HN 0.625 nan 8.250 nan 0.000 0.442 742 F N -0.800 119.023 119.950 -0.213 0.000 2.171 742 F HA -0.190 4.269 4.527 -0.114 0.000 0.300 742 F C 2.103 177.769 175.800 -0.224 0.000 1.090 742 F CA 0.457 58.335 58.000 -0.202 0.000 1.293 742 F CB -0.330 38.488 39.000 -0.302 0.000 1.013 742 F HN 0.129 nan 8.300 nan 0.000 0.486 743 W N -0.120 121.219 121.300 0.066 0.000 2.363 743 W HA -0.179 4.412 4.660 -0.114 0.000 0.296 743 W C 2.297 178.828 176.519 0.019 0.000 1.212 743 W CA 0.401 57.761 57.345 0.025 0.000 1.260 743 W CB -0.595 28.845 29.460 -0.034 0.000 1.131 743 W HN -0.024 nan 8.180 nan 0.000 0.530 744 L N 0.770 122.143 121.223 0.250 0.000 2.017 744 L HA -0.004 4.267 4.340 -0.114 0.000 0.208 744 L C 2.346 179.300 176.870 0.140 0.000 1.073 744 L CA 2.541 57.513 54.840 0.219 0.000 0.745 744 L CB -1.475 40.819 42.059 0.391 0.000 0.894 744 L HN 0.017 nan 8.230 nan 0.000 0.432 745 G N -1.205 107.725 108.800 0.216 0.000 2.446 745 G HA2 -0.264 3.627 3.960 -0.114 0.000 0.217 745 G HA3 -0.264 3.627 3.960 -0.114 0.000 0.217 745 G C 1.702 176.628 174.900 0.044 0.000 1.168 745 G CA 1.040 46.225 45.100 0.143 0.000 0.771 745 G HN 0.343 nan 8.290 nan 0.000 0.551 746 V N 1.188 121.106 119.914 0.006 0.000 2.407 746 V HA -0.014 4.037 4.120 -0.114 0.000 0.248 746 V C 3.166 179.248 176.094 -0.021 0.000 1.055 746 V CA 2.380 64.666 62.300 -0.024 0.000 1.049 746 V CB -0.520 31.244 31.823 -0.098 0.000 0.662 746 V HN 0.453 nan 8.190 nan 0.000 0.455 747 A N -0.836 121.932 122.820 -0.086 0.000 1.873 747 A HA -0.248 4.004 4.320 -0.114 0.000 0.215 747 A C 2.262 179.617 177.584 -0.381 0.000 1.186 747 A CA 1.882 53.763 52.037 -0.260 0.000 0.616 747 A CB -0.643 18.076 19.000 -0.468 0.000 0.823 747 A HN 0.668 nan 8.150 nan 0.000 0.442 748 E N -0.098 119.835 120.200 -0.445 0.000 2.077 748 E HA -0.144 4.137 4.350 -0.114 0.000 0.193 748 E C 2.135 178.856 176.600 0.202 0.000 0.989 748 E CA 1.322 57.635 56.400 -0.145 0.000 0.800 748 E CB -0.069 29.613 29.700 -0.030 0.000 0.746 748 E HN 0.551 nan 8.360 nan 0.000 0.452 749 S N 0.746 116.554 115.700 0.181 0.000 2.356 749 S HA -0.130 4.271 4.470 -0.114 0.000 0.223 749 S C 1.659 176.422 174.600 0.272 0.000 1.032 749 S CA 1.462 59.861 58.200 0.331 0.000 1.005 749 S CB -0.311 63.054 63.200 0.276 0.000 0.867 749 S HN 0.322 nan 8.310 nan 0.000 0.449 750 N N 0.623 119.415 118.700 0.153 0.000 2.142 750 N HA 0.043 4.715 4.740 -0.114 0.000 0.186 750 N C 1.420 177.055 175.510 0.208 0.000 1.023 750 N CA 0.861 53.965 53.050 0.091 0.000 0.852 750 N CB -0.309 38.148 38.487 -0.050 0.000 0.998 750 N HN 0.375 nan 8.380 nan 0.000 0.424 751 F N 1.248 121.296 119.950 0.164 0.000 2.075 751 F HA -0.229 4.231 4.527 -0.113 0.000 0.297 751 F C 2.659 178.666 175.800 0.345 0.000 1.113 751 F CA 1.614 59.850 58.000 0.394 0.000 1.218 751 F CB -0.358 38.956 39.000 0.524 0.000 0.984 751 F HN 0.232 nan 8.300 nan 0.000 0.472 752 H N 0.242 119.641 119.070 0.548 0.000 2.290 752 H HA -0.190 4.298 4.556 -0.114 0.000 0.298 752 H C 2.018 177.484 175.328 0.230 0.000 1.087 752 H CA 2.306 58.567 56.048 0.355 0.000 1.291 752 H CB -0.450 29.451 29.762 0.231 0.000 1.369 752 H HN 0.429 nan 8.280 nan 0.000 0.492 753 Q N 0.049 119.825 119.800 -0.041 0.000 2.079 753 Q HA -0.066 4.205 4.340 -0.114 0.000 0.200 753 Q C 2.805 178.776 176.000 -0.048 0.000 0.974 753 Q CA 1.442 57.170 55.803 -0.125 0.000 0.840 753 Q CB 0.256 28.997 28.738 0.004 0.000 0.898 753 Q HN 0.481 nan 8.270 nan 0.000 0.430 754 L N -0.205 121.050 121.223 0.053 0.000 2.168 754 L HA -0.041 4.230 4.340 -0.114 0.000 0.203 754 L C 2.093 178.952 176.870 -0.018 0.000 1.078 754 L CA 0.602 55.494 54.840 0.087 0.000 0.780 754 L CB -0.206 42.039 42.059 0.310 0.000 0.939 754 L HN 0.211 nan 8.230 nan 0.000 0.451 755 N N -0.415 118.234 118.700 -0.086 0.000 2.319 755 N HA -0.093 4.578 4.740 -0.114 0.000 0.189 755 N C 1.749 177.129 175.510 -0.215 0.000 1.042 755 N CA 1.788 54.662 53.050 -0.294 0.000 0.879 755 N CB -0.186 37.896 38.487 -0.676 0.000 1.052 755 N HN -0.060 nan 8.380 nan 0.000 0.446 756 T N -0.254 114.190 114.554 -0.183 0.000 2.746 756 T HA -0.134 4.148 4.350 -0.114 0.000 0.267 756 T C 1.559 176.282 174.700 0.040 0.000 1.039 756 T CA 1.417 63.505 62.100 -0.020 0.000 1.142 756 T CB -0.411 68.552 68.868 0.158 0.000 0.866 756 T HN 0.406 nan 8.240 nan 0.000 0.444 757 H N -0.327 118.650 119.070 -0.156 0.000 2.283 757 H HA 0.140 4.627 4.556 -0.114 0.000 0.320 757 H C 2.336 177.703 175.328 0.066 0.000 1.074 757 H CA 0.613 56.615 56.048 -0.076 0.000 1.476 757 H CB -0.242 29.355 29.762 -0.275 0.000 1.465 757 H HN 0.150 nan 8.280 nan 0.000 0.573 758 L N 1.079 122.122 121.223 -0.300 0.000 2.017 758 L HA -0.132 4.139 4.340 -0.114 0.000 0.208 758 L C 2.468 179.272 176.870 -0.111 0.000 1.073 758 L CA 1.406 56.054 54.840 -0.320 0.000 0.745 758 L CB -0.915 40.980 42.059 -0.273 0.000 0.894 758 L HN 0.399 nan 8.230 nan 0.000 0.432 759 L N -0.386 120.777 121.223 -0.100 0.000 2.023 759 L HA -0.094 4.177 4.340 -0.114 0.000 0.205 759 L C 2.536 179.390 176.870 -0.027 0.000 1.073 759 L CA 1.680 56.461 54.840 -0.097 0.000 0.745 759 L CB -0.495 41.478 42.059 -0.143 0.000 0.900 759 L HN 0.201 nan 8.230 nan 0.000 0.435 760 R N -1.291 119.206 120.500 -0.005 0.000 2.313 760 R HA 0.039 4.310 4.340 -0.114 0.000 0.199 760 R C 1.420 177.818 176.300 0.164 0.000 0.958 760 R CA 0.948 57.077 56.100 0.048 0.000 1.047 760 R CB -0.200 30.051 30.300 -0.082 0.000 0.955 760 R HN 0.650 nan 8.270 nan 0.000 0.481 761 T N -3.139 111.517 114.554 0.171 0.000 3.556 761 T HA 0.059 4.340 4.350 -0.114 0.000 0.204 761 T C 1.610 176.393 174.700 0.138 0.000 0.896 761 T CA -0.227 61.993 62.100 0.199 0.000 1.380 761 T CB -0.420 68.624 68.868 0.294 0.000 1.584 761 T HN 0.020 nan 8.240 nan 0.000 0.411 762 H N 1.754 120.861 119.070 0.061 0.000 2.306 762 H HA -0.082 4.404 4.556 -0.116 0.000 0.289 762 H C 2.352 177.712 175.328 0.053 0.000 1.081 762 H CA 2.404 58.469 56.048 0.028 0.000 1.163 762 H CB -0.613 29.099 29.762 -0.083 0.000 1.357 762 H HN 0.253 nan 8.280 nan 0.000 0.524 763 L N 0.458 121.761 121.223 0.133 0.000 2.109 763 L HA -0.119 4.153 4.340 -0.114 0.000 0.207 763 L C 2.925 179.822 176.870 0.045 0.000 1.086 763 L CA 1.595 56.456 54.840 0.036 0.000 0.760 763 L CB -0.597 41.411 42.059 -0.085 0.000 0.910 763 L HN 0.460 nan 8.230 nan 0.000 0.437 764 T N -4.061 110.528 114.554 0.059 0.000 2.851 764 T HA -0.142 4.140 4.350 -0.114 0.000 0.262 764 T C 1.893 176.948 174.700 0.592 0.000 1.043 764 T CA 1.353 63.555 62.100 0.169 0.000 1.140 764 T CB -0.819 68.022 68.868 -0.045 0.000 0.872 764 T HN 0.412 nan 8.240 nan 0.000 0.446 765 T N 0.065 114.852 114.554 0.390 0.000 2.962 765 T HA -0.010 4.271 4.350 -0.114 0.000 0.270 765 T C 1.828 176.788 174.700 0.433 0.000 1.088 765 T CA 1.225 63.495 62.100 0.283 0.000 1.127 765 T CB -0.514 68.180 68.868 -0.290 0.000 0.883 765 T HN 0.583 nan 8.240 nan 0.000 0.493 766 E N 1.295 121.715 120.200 0.367 0.000 2.130 766 E HA -0.176 4.105 4.350 -0.114 0.000 0.196 766 E C 2.207 178.989 176.600 0.303 0.000 0.998 766 E CA 1.448 58.037 56.400 0.315 0.000 0.806 766 E CB -0.300 29.517 29.700 0.195 0.000 0.738 766 E HN 0.622 nan 8.360 nan 0.000 0.459 767 S N 0.004 115.920 115.700 0.359 0.000 2.374 767 S HA -0.169 4.233 4.470 -0.114 0.000 0.227 767 S C 1.569 176.255 174.600 0.143 0.000 1.037 767 S CA 1.346 59.754 58.200 0.346 0.000 1.024 767 S CB -0.419 63.022 63.200 0.400 0.000 0.861 767 S HN 0.298 nan 8.310 nan 0.000 0.456 768 F N 1.762 121.796 119.950 0.139 0.000 2.186 768 F HA 0.010 4.468 4.527 -0.115 0.000 0.299 768 F C 2.585 178.546 175.800 0.269 0.000 1.090 768 F CA 0.690 58.731 58.000 0.068 0.000 1.307 768 F CB -0.699 38.340 39.000 0.065 0.000 1.019 768 F HN 0.170 nan 8.300 nan 0.000 0.489 769 A N -0.051 123.094 122.820 0.541 0.000 1.883 769 A HA -0.206 4.045 4.320 -0.114 0.000 0.217 769 A C 2.096 179.849 177.584 0.282 0.000 1.186 769 A CA 1.721 54.004 52.037 0.411 0.000 0.624 769 A CB -1.097 18.118 19.000 0.358 0.000 0.822 769 A HN 0.346 nan 8.150 nan 0.000 0.444 770 L N -0.387 120.916 121.223 0.133 0.000 2.046 770 L HA -0.082 4.190 4.340 -0.114 0.000 0.208 770 L C 2.627 179.436 176.870 -0.101 0.000 1.077 770 L CA 2.466 57.263 54.840 -0.072 0.000 0.747 770 L CB -0.687 41.119 42.059 -0.422 0.000 0.896 770 L HN 0.341 nan 8.230 nan 0.000 0.432 771 S N -1.732 113.928 115.700 -0.066 0.000 2.399 771 S HA -0.192 4.210 4.470 -0.114 0.000 0.231 771 S C 1.882 176.658 174.600 0.292 0.000 1.022 771 S CA 1.712 59.919 58.200 0.012 0.000 0.983 771 S CB -0.385 62.675 63.200 -0.232 0.000 0.803 771 S HN 0.666 nan 8.310 nan 0.000 0.480 772 T N 0.340 115.145 114.554 0.418 0.000 2.652 772 T HA -0.142 4.140 4.350 -0.114 0.000 0.267 772 T C 1.204 175.930 174.700 0.044 0.000 1.039 772 T CA 1.704 63.996 62.100 0.319 0.000 1.153 772 T CB -0.513 68.418 68.868 0.106 0.000 0.863 772 T HN 0.643 nan 8.240 nan 0.000 0.428 773 W N 1.445 122.715 121.300 -0.051 0.000 2.388 773 W HA 0.056 4.662 4.660 -0.090 0.000 0.294 773 W C 2.712 179.085 176.519 -0.244 0.000 1.212 773 W CA 0.362 57.514 57.345 -0.323 0.000 1.271 773 W CB -0.170 28.614 29.460 -1.126 0.000 1.126 773 W HN 0.106 nan 8.180 nan 0.000 0.535 774 R N -0.245 120.295 120.500 0.067 0.000 2.090 774 R HA -0.070 4.201 4.340 -0.114 0.000 0.228 774 R C 1.381 177.760 176.300 0.131 0.000 1.110 774 R CA 1.277 57.436 56.100 0.099 0.000 0.973 774 R CB -0.272 30.054 30.300 0.044 0.000 0.869 774 R HN 0.231 nan 8.270 nan 0.000 0.440 775 N N -0.733 118.064 118.700 0.161 0.000 2.257 775 N HA 0.113 4.785 4.740 -0.114 0.000 0.200 775 N C -0.228 175.337 175.510 0.093 0.000 1.163 775 N CA 0.175 53.329 53.050 0.174 0.000 0.891 775 N CB 1.158 39.812 38.487 0.279 0.000 1.067 775 N HN 0.037 nan 8.380 nan 0.000 0.497 776 L N 1.638 122.877 121.223 0.028 0.000 2.287 776 L HA 0.547 4.818 4.340 -0.114 0.000 0.287 776 L C 0.294 177.052 176.870 -0.188 0.000 1.022 776 L CA -0.727 54.038 54.840 -0.125 0.000 0.814 776 L CB 1.607 43.529 42.059 -0.229 0.000 1.217 776 L HN -0.075 nan 8.230 nan 0.000 0.420 777 A N 2.049 124.770 122.820 -0.165 0.000 2.406 777 A HA 0.206 4.457 4.320 -0.114 0.000 0.243 777 A C 1.344 178.577 177.584 -0.585 0.000 1.082 777 A CA 0.294 52.170 52.037 -0.269 0.000 0.786 777 A CB 0.439 19.385 19.000 -0.089 0.000 1.029 777 A HN 0.907 nan 8.150 nan 0.000 0.495 778 S N 0.966 116.196 115.700 -0.785 0.000 2.419 778 S HA -0.072 4.330 4.470 -0.114 0.000 0.233 778 S C 1.589 175.924 174.600 -0.441 0.000 1.016 778 S CA 1.260 58.860 58.200 -1.000 0.000 0.974 778 S CB -0.488 62.287 63.200 -0.709 0.000 0.786 778 S HN 1.394 nan 8.310 nan 0.000 0.492 779 A N 0.507 123.182 122.820 -0.241 0.000 2.235 779 A HA 0.181 4.432 4.320 -0.114 0.000 0.208 779 A C 0.823 178.303 177.584 -0.174 0.000 1.172 779 A CA 0.145 52.116 52.037 -0.111 0.000 0.786 779 A CB -0.796 18.266 19.000 0.103 0.000 0.804 779 A HN 0.727 nan 8.150 nan 0.000 0.479 780 H N 0.315 119.227 119.070 -0.263 0.000 2.683 780 H HA 0.227 4.714 4.556 -0.114 0.000 0.339 780 H C -1.408 173.689 175.328 -0.385 0.000 1.081 780 H CA -1.375 54.501 56.048 -0.287 0.000 1.432 780 H CB 1.326 30.965 29.762 -0.205 0.000 1.462 780 H HN 0.018 nan 8.280 nan 0.000 0.557 781 P HA -0.178 nan 4.420 nan 0.000 0.220 781 P C 1.055 178.209 177.300 -0.242 0.000 1.148 781 P CA 1.022 63.728 63.100 -0.655 0.000 0.803 781 P CB 0.449 31.349 31.700 -1.335 0.000 0.782 782 I N -1.749 118.886 120.570 0.107 0.000 2.716 782 I HA -0.084 4.017 4.170 -0.114 0.000 0.259 782 I C 2.338 178.307 176.117 -0.247 0.000 1.172 782 I CA 0.505 61.766 61.300 -0.066 0.000 1.478 782 I CB -1.565 36.344 38.000 -0.152 0.000 1.104 782 I HN -0.134 nan 8.210 nan 0.000 0.439 783 F N 2.665 122.403 119.950 -0.354 0.000 2.102 783 F HA -0.238 4.218 4.527 -0.118 0.000 0.298 783 F C 2.480 177.994 175.800 -0.476 0.000 1.105 783 F CA 1.887 59.623 58.000 -0.441 0.000 1.239 783 F CB -0.117 38.632 39.000 -0.419 0.000 0.991 783 F HN -0.091 nan 8.300 nan 0.000 0.474 784 K N -0.004 120.144 120.400 -0.420 0.000 2.063 784 K HA -0.221 4.031 4.320 -0.114 0.000 0.208 784 K C 1.953 178.133 176.600 -0.700 0.000 1.048 784 K CA 1.774 57.554 56.287 -0.846 0.000 0.928 784 K CB -0.645 30.867 32.500 -1.646 0.000 0.713 784 K HN 0.305 nan 8.250 nan 0.000 0.442 785 L N 1.149 122.188 121.223 -0.307 0.000 2.046 785 L HA -0.145 4.127 4.340 -0.114 0.000 0.208 785 L C 1.857 178.707 176.870 -0.032 0.000 1.077 785 L CA 1.586 56.470 54.840 0.072 0.000 0.747 785 L CB -0.130 41.992 42.059 0.105 0.000 0.896 785 L HN 0.129 nan 8.230 nan 0.000 0.432 786 L N -1.258 119.840 121.223 -0.208 0.000 2.270 786 L HA -0.093 4.178 4.340 -0.114 0.000 0.210 786 L C 2.526 179.223 176.870 -0.288 0.000 1.104 786 L CA 0.853 55.599 54.840 -0.157 0.000 0.804 786 L CB -0.460 41.464 42.059 -0.226 0.000 0.937 786 L HN 0.435 nan 8.230 nan 0.000 0.450 787 Q N 1.039 120.510 119.800 -0.549 0.000 2.062 787 Q HA -0.217 4.055 4.340 -0.114 0.000 0.209 787 Q C -0.687 175.153 176.000 -0.268 0.000 0.996 787 Q CA 2.408 57.874 55.803 -0.561 0.000 0.859 787 Q CB -0.694 27.652 28.738 -0.653 0.000 0.920 787 Q HN 0.305 nan 8.270 nan 0.000 0.415 788 P HA -0.143 nan 4.420 nan 0.000 0.223 788 P C 0.376 177.517 177.300 -0.265 0.000 1.151 788 P CA 1.326 64.285 63.100 -0.235 0.000 0.787 788 P CB -0.029 31.540 31.700 -0.219 0.000 0.788 789 H N -0.299 118.745 119.070 -0.042 0.000 2.553 789 H HA 0.168 4.655 4.556 -0.114 0.000 0.276 789 H C 2.026 176.987 175.328 -0.612 0.000 0.979 789 H CA 0.662 56.634 56.048 -0.127 0.000 1.268 789 H CB 0.059 29.842 29.762 0.035 0.000 1.450 789 H HN 0.254 nan 8.280 nan 0.000 0.527 790 I N -1.762 118.532 120.570 -0.459 0.000 3.578 790 I HA 0.008 4.109 4.170 -0.114 0.000 0.295 790 I C 0.810 176.802 176.117 -0.208 0.000 1.280 790 I CA -0.209 60.728 61.300 -0.605 0.000 1.347 790 I CB -0.526 37.325 38.000 -0.248 0.000 1.051 790 I HN -0.144 nan 8.210 nan 0.000 0.460 791 Y N 3.542 123.754 120.300 -0.148 0.000 2.717 791 Y HA 0.340 4.820 4.550 -0.116 0.000 0.330 791 Y C 1.337 177.265 175.900 0.046 0.000 1.217 791 Y CA 0.977 59.087 58.100 0.015 0.000 1.506 791 Y CB 0.479 38.953 38.460 0.024 0.000 1.268 791 Y HN 0.419 nan 8.280 nan 0.000 0.561 792 G N 3.342 111.703 108.800 -0.731 0.000 2.284 792 G HA2 -0.358 3.533 3.960 -0.114 0.000 0.230 792 G HA3 -0.358 3.533 3.960 -0.114 0.000 0.230 792 G C 0.825 175.620 174.900 -0.176 0.000 1.021 792 G CA 0.443 45.199 45.100 -0.573 0.000 0.619 792 G HN 1.012 nan 8.290 nan 0.000 0.510 793 V N 1.567 121.422 119.914 -0.098 0.000 2.358 793 V HA 0.091 4.143 4.120 -0.114 0.000 0.246 793 V C 2.771 178.868 176.094 0.005 0.000 1.047 793 V CA 2.670 64.978 62.300 0.014 0.000 1.035 793 V CB -0.246 31.668 31.823 0.152 0.000 0.658 793 V HN 0.504 nan 8.190 nan 0.000 0.452 794 L N 0.030 121.240 121.223 -0.022 0.000 2.046 794 L HA -0.102 4.170 4.340 -0.114 0.000 0.208 794 L C 2.760 179.542 176.870 -0.147 0.000 1.077 794 L CA 1.639 56.447 54.840 -0.053 0.000 0.747 794 L CB -0.884 41.151 42.059 -0.041 0.000 0.896 794 L HN 0.419 nan 8.230 nan 0.000 0.432 795 A N 0.115 122.795 122.820 -0.234 0.000 1.841 795 A HA -0.227 4.025 4.320 -0.114 0.000 0.214 795 A C 2.207 179.482 177.584 -0.515 0.000 1.195 795 A CA 1.806 53.606 52.037 -0.395 0.000 0.611 795 A CB -0.678 17.962 19.000 -0.599 0.000 0.835 795 A HN 0.287 nan 8.150 nan 0.000 0.443 796 I N 0.327 120.615 120.570 -0.470 0.000 2.315 796 I HA -0.161 3.941 4.170 -0.114 0.000 0.248 796 I C 1.287 177.294 176.117 -0.183 0.000 1.117 796 I CA 1.728 62.826 61.300 -0.336 0.000 1.404 796 I CB -0.436 37.570 38.000 0.011 0.000 1.071 796 I HN 0.263 nan 8.210 nan 0.000 0.419 797 D N -0.350 119.998 120.400 -0.087 0.000 2.144 797 D HA -0.130 4.442 4.640 -0.114 0.000 0.200 797 D C 2.197 178.437 176.300 -0.099 0.000 0.978 797 D CA 1.629 55.592 54.000 -0.061 0.000 0.833 797 D CB -0.425 40.379 40.800 0.006 0.000 0.961 797 D HN 0.300 nan 8.370 nan 0.000 0.470 798 T N 0.894 115.373 114.554 -0.126 0.000 2.708 798 T HA -0.066 4.216 4.350 -0.114 0.000 0.266 798 T C 2.204 176.835 174.700 -0.115 0.000 1.037 798 T CA 0.575 62.605 62.100 -0.116 0.000 1.146 798 T CB -0.224 68.564 68.868 -0.132 0.000 0.865 798 T HN 0.140 nan 8.240 nan 0.000 0.435 799 I N 1.151 121.616 120.570 -0.176 0.000 2.163 799 I HA -0.128 3.973 4.170 -0.114 0.000 0.243 799 I C 2.813 178.862 176.117 -0.114 0.000 1.085 799 I CA 1.452 62.642 61.300 -0.182 0.000 1.347 799 I CB -0.535 37.231 38.000 -0.390 0.000 1.044 799 I HN 0.320 nan 8.210 nan 0.000 0.408 800 G N -0.104 108.620 108.800 -0.126 0.000 2.572 800 G HA2 -0.133 3.758 3.960 -0.114 0.000 0.216 800 G HA3 -0.133 3.758 3.960 -0.114 0.000 0.216 800 G C 1.741 176.607 174.900 -0.057 0.000 1.133 800 G CA -0.020 45.028 45.100 -0.085 0.000 0.791 800 G HN 0.263 nan 8.290 nan 0.000 0.538 801 R N 0.068 120.534 120.500 -0.057 0.000 2.237 801 R HA 0.063 4.334 4.340 -0.114 0.000 0.219 801 R C 2.830 179.121 176.300 -0.015 0.000 1.080 801 R CA 1.419 57.498 56.100 -0.034 0.000 0.995 801 R CB 0.020 30.296 30.300 -0.041 0.000 0.875 801 R HN 0.451 nan 8.270 nan 0.000 0.462 802 K N 0.954 121.344 120.400 -0.017 0.000 2.159 802 K HA 0.009 4.260 4.320 -0.114 0.000 0.210 802 K C 1.676 178.284 176.600 0.013 0.000 1.026 802 K CA 0.819 57.106 56.287 0.001 0.000 0.959 802 K CB -0.398 32.103 32.500 0.001 0.000 0.890 802 K HN 0.214 nan 8.250 nan 0.000 0.459 803 E N 0.300 120.512 120.200 0.020 0.000 2.358 803 E HA 0.104 4.386 4.350 -0.114 0.000 0.195 803 E C 2.101 178.720 176.600 0.033 0.000 1.010 803 E CA 1.007 57.436 56.400 0.048 0.000 0.856 803 E CB 0.012 29.782 29.700 0.116 0.000 0.795 803 E HN 0.415 nan 8.360 nan 0.000 0.504 804 L N -0.022 121.204 121.223 0.005 0.000 2.519 804 L HA 0.398 4.670 4.340 -0.114 0.000 0.194 804 L C 2.308 179.154 176.870 -0.041 0.000 1.072 804 L CA 1.135 55.962 54.840 -0.022 0.000 0.845 804 L CB -0.871 41.160 42.059 -0.047 0.000 1.138 804 L HN 0.184 nan 8.230 nan 0.000 0.487 805 I N 0.325 120.891 120.570 -0.007 0.000 4.018 805 I HA 0.714 4.815 4.170 -0.114 0.000 0.337 805 I C 1.198 177.406 176.117 0.151 0.000 1.327 805 I CA 0.376 61.719 61.300 0.072 0.000 1.100 805 I CB -0.884 37.194 38.000 0.131 0.000 1.025 805 I HN 0.511 nan 8.210 nan 0.000 0.396 806 G N 0.408 109.249 108.800 0.067 0.000 2.544 806 G HA2 0.355 4.246 3.960 -0.114 0.000 0.242 806 G HA3 0.355 4.246 3.960 -0.114 0.000 0.242 806 G C 0.571 175.515 174.900 0.074 0.000 1.247 806 G CA 0.659 45.799 45.100 0.066 0.000 0.840 806 G HN 0.701 nan 8.290 nan 0.000 0.578 807 S N 0.155 115.902 115.700 0.079 0.000 2.673 807 S HA 0.348 4.750 4.470 -0.114 0.000 0.308 807 S C 1.655 176.286 174.600 0.051 0.000 1.246 807 S CA 1.211 59.458 58.200 0.078 0.000 1.077 807 S CB -0.430 62.807 63.200 0.060 0.000 0.814 807 S HN 2.281 nan 8.310 nan 0.000 0.503 808 G N 3.266 112.098 108.800 0.052 0.000 2.157 808 G HA2 -0.168 3.723 3.960 -0.114 0.000 0.248 808 G HA3 -0.168 3.723 3.960 -0.114 0.000 0.248 808 G C 0.562 175.460 174.900 -0.004 0.000 0.979 808 G CA 0.154 45.271 45.100 0.029 0.000 0.650 808 G HN 1.240 nan 8.290 nan 0.000 0.529 809 G N -0.588 108.203 108.800 -0.015 0.000 2.535 809 G HA2 0.521 4.412 3.960 -0.114 0.000 0.282 809 G HA3 0.521 4.412 3.960 -0.114 0.000 0.282 809 G C 1.343 176.202 174.900 -0.068 0.000 1.350 809 G CA -0.111 44.970 45.100 -0.032 0.000 1.039 809 G HN 0.140 nan 8.290 nan 0.000 0.509 810 I N -0.304 120.230 120.570 -0.060 0.000 2.236 810 I HA -0.183 3.919 4.170 -0.114 0.000 0.249 810 I C 2.889 178.928 176.117 -0.130 0.000 1.102 810 I CA 0.993 62.246 61.300 -0.077 0.000 1.365 810 I CB -0.914 37.057 38.000 -0.048 0.000 1.051 810 I HN 0.120 nan 8.210 nan 0.000 0.420 811 V N 0.980 120.792 119.914 -0.170 0.000 2.270 811 V HA -0.248 3.804 4.120 -0.114 0.000 0.245 811 V C 1.897 177.836 176.094 -0.258 0.000 1.043 811 V CA 1.928 64.077 62.300 -0.253 0.000 1.014 811 V CB -0.660 30.912 31.823 -0.417 0.000 0.645 811 V HN 0.298 nan 8.190 nan 0.000 0.447 812 D N -0.661 119.600 120.400 -0.231 0.000 2.384 812 D HA -0.122 4.449 4.640 -0.114 0.000 0.222 812 D C 2.146 178.304 176.300 -0.237 0.000 0.976 812 D CA 0.819 54.729 54.000 -0.149 0.000 0.915 812 D CB -0.019 40.772 40.800 -0.016 0.000 0.896 812 D HN 0.544 nan 8.370 nan 0.000 0.523 813 Q N -1.080 118.590 119.800 -0.218 0.000 2.423 813 Q HA 0.085 4.357 4.340 -0.114 0.000 0.231 813 Q C 1.601 177.459 176.000 -0.235 0.000 0.894 813 Q CA 0.575 56.235 55.803 -0.238 0.000 0.938 813 Q CB 0.621 29.263 28.738 -0.160 0.000 1.079 813 Q HN 0.230 nan 8.270 nan 0.000 0.552 814 S N -1.212 114.364 115.700 -0.207 0.000 2.578 814 S HA 0.252 4.653 4.470 -0.114 0.000 0.228 814 S C 0.128 174.615 174.600 -0.188 0.000 1.022 814 S CA -0.341 57.742 58.200 -0.194 0.000 0.967 814 S CB 0.506 63.595 63.200 -0.185 0.000 0.914 814 S HN -0.021 nan 8.310 nan 0.000 0.515 815 L N 1.583 122.700 121.223 -0.177 0.000 2.334 815 L HA 0.595 4.867 4.340 -0.114 0.000 0.273 815 L C 1.352 178.160 176.870 -0.103 0.000 1.013 815 L CA -0.077 54.683 54.840 -0.132 0.000 0.816 815 L CB 1.662 43.654 42.059 -0.113 0.000 1.278 815 L HN 0.026 nan 8.230 nan 0.000 0.431 816 S N 1.508 117.168 115.700 -0.066 0.000 2.370 816 S HA -0.135 4.267 4.470 -0.114 0.000 0.226 816 S C 1.426 176.037 174.600 0.019 0.000 1.033 816 S CA 1.398 59.584 58.200 -0.024 0.000 1.011 816 S CB -0.233 62.972 63.200 0.009 0.000 0.852 816 S HN 0.433 nan 8.310 nan 0.000 0.457 817 L N 1.361 122.592 121.223 0.012 0.000 2.599 817 L HA 0.257 4.529 4.340 -0.114 0.000 0.230 817 L C 1.404 178.356 176.870 0.137 0.000 1.141 817 L CA -0.003 54.875 54.840 0.063 0.000 0.877 817 L CB -1.301 40.772 42.059 0.023 0.000 1.009 817 L HN 0.188 nan 8.230 nan 0.000 0.447 818 G N -1.337 107.497 108.800 0.056 0.000 2.630 818 G HA2 0.342 4.233 3.960 -0.114 0.000 0.236 818 G HA3 0.342 4.233 3.960 -0.114 0.000 0.236 818 G C 1.028 176.107 174.900 0.299 0.000 1.248 818 G CA 0.271 45.392 45.100 0.034 0.000 0.844 818 G HN 0.490 nan 8.290 nan 0.000 0.588 819 G N -1.233 107.750 108.800 0.306 0.000 2.179 819 G HA2 0.265 4.157 3.960 -0.114 0.000 0.220 819 G HA3 0.265 4.157 3.960 -0.114 0.000 0.220 819 G C 1.231 176.247 174.900 0.194 0.000 0.990 819 G CA 0.855 46.109 45.100 0.257 0.000 0.646 819 G HN 2.551 nan 8.290 nan 0.000 0.517 820 G N -1.338 107.673 108.800 0.351 0.000 2.617 820 G HA2 0.174 4.066 3.960 -0.114 0.000 0.197 820 G HA3 0.174 4.066 3.960 -0.114 0.000 0.197 820 G C 1.833 176.717 174.900 -0.027 0.000 1.017 820 G CA 1.154 46.299 45.100 0.074 0.000 0.713 820 G HN 1.758 nan 8.290 nan 0.000 0.481 821 G N 1.077 109.949 108.800 0.120 0.000 2.470 821 G HA2 -0.048 3.843 3.960 -0.114 0.000 0.220 821 G HA3 -0.048 3.843 3.960 -0.114 0.000 0.220 821 G C 1.466 176.448 174.900 0.137 0.000 1.121 821 G CA 2.046 47.208 45.100 0.103 0.000 0.766 821 G HN 0.933 nan 8.290 nan 0.000 0.553 822 H N 0.007 119.135 119.070 0.096 0.000 2.389 822 H HA 0.033 4.520 4.556 -0.115 0.000 0.299 822 H C 2.338 177.747 175.328 0.135 0.000 1.081 822 H CA 1.202 57.328 56.048 0.129 0.000 1.345 822 H CB -0.928 28.880 29.762 0.076 0.000 1.393 822 H HN 0.202 nan 8.280 nan 0.000 0.520 823 V N 1.673 121.286 119.914 -0.502 0.000 2.307 823 V HA -0.219 3.832 4.120 -0.114 0.000 0.245 823 V C 2.649 178.686 176.094 -0.094 0.000 1.045 823 V CA 2.245 64.368 62.300 -0.294 0.000 1.024 823 V CB -0.865 30.749 31.823 -0.347 0.000 0.651 823 V HN 0.475 nan 8.190 nan 0.000 0.449 824 T N 0.299 114.825 114.554 -0.047 0.000 2.788 824 T HA -0.198 4.084 4.350 -0.114 0.000 0.268 824 T C 1.689 176.438 174.700 0.082 0.000 1.044 824 T CA 1.909 64.022 62.100 0.021 0.000 1.139 824 T CB -0.398 68.495 68.868 0.042 0.000 0.867 824 T HN 0.444 nan 8.240 nan 0.000 0.454 825 F N 1.650 121.594 119.950 -0.009 0.000 2.146 825 F HA 0.052 4.510 4.527 -0.114 0.000 0.298 825 F C 2.186 177.984 175.800 -0.004 0.000 1.096 825 F CA 1.072 59.082 58.000 0.016 0.000 1.275 825 F CB -0.466 38.564 39.000 0.050 0.000 1.008 825 F HN 0.042 nan 8.300 nan 0.000 0.480 826 M N -0.004 119.512 119.600 -0.140 0.000 2.117 826 M HA -0.219 4.193 4.480 -0.114 0.000 0.262 826 M C 2.080 178.276 176.300 -0.175 0.000 1.065 826 M CA 1.936 57.097 55.300 -0.231 0.000 1.114 826 M CB -0.682 31.854 32.600 -0.107 0.000 1.361 826 M HN 0.181 nan 8.290 nan 0.000 0.408 827 E N 0.467 120.610 120.200 -0.095 0.000 2.049 827 E HA -0.265 4.017 4.350 -0.114 0.000 0.198 827 E C 1.999 178.549 176.600 -0.084 0.000 1.007 827 E CA 1.558 57.938 56.400 -0.033 0.000 0.809 827 E CB -0.202 29.492 29.700 -0.010 0.000 0.749 827 E HN 0.395 nan 8.360 nan 0.000 0.450 828 K N 0.534 120.858 120.400 -0.128 0.000 2.063 828 K HA -0.180 4.071 4.320 -0.114 0.000 0.208 828 K C 2.160 178.629 176.600 -0.218 0.000 1.048 828 K CA 1.680 57.878 56.287 -0.148 0.000 0.928 828 K CB -0.197 32.259 32.500 -0.074 0.000 0.713 828 K HN 0.171 nan 8.250 nan 0.000 0.442 829 C N 0.279 119.369 119.300 -0.350 0.000 2.446 829 C HA -0.076 4.316 4.460 -0.114 0.000 0.277 829 C C 2.382 177.262 174.990 -0.183 0.000 1.275 829 C CA 0.357 59.168 59.018 -0.346 0.000 1.727 829 C CB -1.063 26.336 27.740 -0.569 0.000 2.010 829 C HN 0.587 nan 8.230 nan 0.000 0.486 830 F N 2.102 121.875 119.950 -0.295 0.000 2.234 830 F HA -0.072 4.388 4.527 -0.112 0.000 0.299 830 F C 2.178 177.867 175.800 -0.186 0.000 1.087 830 F CA 1.422 59.259 58.000 -0.272 0.000 1.340 830 F CB -0.526 38.314 39.000 -0.267 0.000 1.031 830 F HN 0.164 nan 8.300 nan 0.000 0.500 831 K N -0.168 119.999 120.400 -0.388 0.000 2.211 831 K HA -0.172 4.080 4.320 -0.114 0.000 0.204 831 K C 1.437 177.899 176.600 -0.229 0.000 1.047 831 K CA 1.453 57.426 56.287 -0.523 0.000 0.935 831 K CB -0.129 32.065 32.500 -0.510 0.000 0.728 831 K HN 0.257 nan 8.250 nan 0.000 0.452 832 E N 0.263 120.360 120.200 -0.173 0.000 2.472 832 E HA 0.036 4.318 4.350 -0.114 0.000 0.196 832 E C 0.041 176.622 176.600 -0.031 0.000 1.033 832 E CA 0.054 56.404 56.400 -0.084 0.000 0.886 832 E CB 0.289 29.953 29.700 -0.060 0.000 0.944 832 E HN -0.050 nan 8.360 nan 0.000 0.492 833 V N 2.462 122.321 119.914 -0.091 0.000 2.585 833 V HA 0.012 4.064 4.120 -0.114 0.000 0.296 833 V C 0.224 176.414 176.094 0.161 0.000 1.035 833 V CA 0.216 62.493 62.300 -0.037 0.000 1.084 833 V CB 0.312 32.003 31.823 -0.219 0.000 0.953 833 V HN 0.127 nan 8.190 nan 0.000 0.483 834 N N 2.746 121.605 118.700 0.265 0.000 2.225 834 N HA 0.369 5.040 4.740 -0.114 0.000 0.298 834 N C 0.387 176.223 175.510 0.543 0.000 1.076 834 N CA -0.823 52.446 53.050 0.364 0.000 0.792 834 N CB 1.463 40.090 38.487 0.233 0.000 1.498 834 N HN 0.445 nan 8.380 nan 0.000 0.474 835 L N 2.070 123.640 121.223 0.578 0.000 2.129 835 L HA -0.099 4.173 4.340 -0.114 0.000 0.212 835 L C 1.801 178.963 176.870 0.488 0.000 1.087 835 L CA 1.798 56.945 54.840 0.511 0.000 0.757 835 L CB -0.490 41.728 42.059 0.266 0.000 0.896 835 L HN 0.722 nan 8.230 nan 0.000 0.434 836 Q N -0.386 119.630 119.800 0.360 0.000 2.291 836 Q HA -0.190 4.082 4.340 -0.114 0.000 0.206 836 Q C 1.650 177.830 176.000 0.299 0.000 0.976 836 Q CA 1.337 57.311 55.803 0.284 0.000 0.875 836 Q CB -0.378 28.456 28.738 0.161 0.000 0.927 836 Q HN 0.612 nan 8.270 nan 0.000 0.450 837 D N -0.664 119.946 120.400 0.350 0.000 2.263 837 D HA -0.151 4.421 4.640 -0.114 0.000 0.208 837 D C 1.043 177.437 176.300 0.156 0.000 0.971 837 D CA 0.917 55.040 54.000 0.205 0.000 0.867 837 D CB -0.191 40.677 40.800 0.114 0.000 0.929 837 D HN 0.379 nan 8.370 nan 0.000 0.492 838 Y N -0.739 119.703 120.300 0.237 0.000 2.490 838 Y HA 0.083 4.565 4.550 -0.114 0.000 0.281 838 Y C 0.626 176.663 175.900 0.228 0.000 1.174 838 Y CA -0.138 58.124 58.100 0.269 0.000 1.295 838 Y CB -0.437 38.205 38.460 0.304 0.000 1.062 838 Y HN 0.018 nan 8.280 nan 0.000 0.522 839 H N 0.639 119.795 119.070 0.143 0.000 2.761 839 H HA 0.167 4.654 4.556 -0.114 0.000 0.284 839 H C 1.108 176.074 175.328 -0.604 0.000 1.105 839 H CA -0.379 55.542 56.048 -0.212 0.000 1.352 839 H CB 0.627 30.360 29.762 -0.048 0.000 1.423 839 H HN 0.179 nan 8.280 nan 0.000 0.464 840 L N 7.287 127.762 121.223 -1.248 0.000 1.994 840 L HA 0.048 4.320 4.340 -0.114 0.000 0.208 840 L C -0.945 175.547 176.870 -0.630 0.000 1.071 840 L CA 1.385 55.720 54.840 -0.842 0.000 0.745 840 L CB -0.686 40.769 42.059 -1.007 0.000 0.892 840 L HN 0.597 nan 8.230 nan 0.000 0.431 841 P HA -0.158 nan 4.420 nan 0.000 0.216 841 P C 0.983 178.200 177.300 -0.139 0.000 1.153 841 P CA 1.922 64.795 63.100 -0.378 0.000 0.858 841 P CB -0.218 31.284 31.700 -0.330 0.000 0.789 842 N N -0.793 117.902 118.700 -0.010 0.000 2.142 842 N HA -0.116 4.556 4.740 -0.114 0.000 0.186 842 N C 1.786 177.258 175.510 -0.063 0.000 1.023 842 N CA 0.909 53.882 53.050 -0.129 0.000 0.852 842 N CB -0.426 37.851 38.487 -0.350 0.000 0.998 842 N HN 0.041 nan 8.380 nan 0.000 0.424 843 A N 1.446 124.243 122.820 -0.038 0.000 1.902 843 A HA -0.094 4.158 4.320 -0.114 0.000 0.217 843 A C 2.142 179.736 177.584 0.016 0.000 1.181 843 A CA 1.076 53.115 52.037 0.003 0.000 0.623 843 A CB -0.681 18.332 19.000 0.022 0.000 0.818 843 A HN 0.168 nan 8.150 nan 0.000 0.443 844 L N -0.937 120.274 121.223 -0.020 0.000 2.109 844 L HA -0.142 4.129 4.340 -0.114 0.000 0.207 844 L C 2.600 179.488 176.870 0.030 0.000 1.086 844 L CA 1.706 56.558 54.840 0.020 0.000 0.760 844 L CB -0.443 41.585 42.059 -0.051 0.000 0.910 844 L HN 0.449 nan 8.230 nan 0.000 0.437 845 K N 1.125 121.520 120.400 -0.009 0.000 2.002 845 K HA -0.262 3.989 4.320 -0.114 0.000 0.209 845 K C 2.236 178.846 176.600 0.017 0.000 1.048 845 K CA 1.765 58.052 56.287 0.000 0.000 0.930 845 K CB -0.006 32.479 32.500 -0.025 0.000 0.714 845 K HN 0.015 nan 8.250 nan 0.000 0.438 846 K N 0.689 121.095 120.400 0.010 0.000 2.074 846 K HA -0.180 4.071 4.320 -0.114 0.000 0.209 846 K C 1.954 178.578 176.600 0.041 0.000 1.048 846 K CA 1.694 57.993 56.287 0.020 0.000 0.926 846 K CB -0.001 32.509 32.500 0.018 0.000 0.713 846 K HN 0.120 nan 8.250 nan 0.000 0.444 847 R N -1.176 119.361 120.500 0.062 0.000 2.236 847 R HA 0.046 4.318 4.340 -0.114 0.000 0.208 847 R C 1.017 177.383 176.300 0.110 0.000 1.036 847 R CA 0.684 56.837 56.100 0.088 0.000 1.001 847 R CB 0.116 30.486 30.300 0.117 0.000 0.896 847 R HN 0.520 nan 8.270 nan 0.000 0.464 848 G N 0.666 109.527 108.800 0.102 0.000 2.147 848 G HA2 -0.248 3.644 3.960 -0.114 0.000 0.244 848 G HA3 -0.248 3.644 3.960 -0.114 0.000 0.244 848 G C 0.511 175.540 174.900 0.214 0.000 1.005 848 G CA 0.334 45.506 45.100 0.119 0.000 0.713 848 G HN 0.332 nan 8.290 nan 0.000 0.515 849 V N -1.971 118.066 119.914 0.205 0.000 3.319 849 V HA 0.391 4.443 4.120 -0.114 0.000 0.317 849 V C 1.225 177.447 176.094 0.213 0.000 1.411 849 V CA 0.996 63.443 62.300 0.245 0.000 1.112 849 V CB 0.656 32.650 31.823 0.285 0.000 1.031 849 V HN 0.327 nan 8.190 nan 0.000 0.448 850 D N -0.629 119.843 120.400 0.120 0.000 2.342 850 D HA 0.054 4.626 4.640 -0.114 0.000 0.221 850 D C 0.132 176.457 176.300 0.042 0.000 1.101 850 D CA 0.015 54.043 54.000 0.046 0.000 0.837 850 D CB 0.146 40.942 40.800 -0.007 0.000 0.938 850 D HN 0.479 nan 8.370 nan 0.000 0.508 851 D N 1.056 121.501 120.400 0.076 0.000 2.427 851 D HA 0.200 4.772 4.640 -0.114 0.000 0.226 851 D C -1.827 174.510 176.300 0.062 0.000 1.076 851 D CA -2.294 51.742 54.000 0.061 0.000 0.849 851 D CB 2.151 42.991 40.800 0.067 0.000 1.052 851 D HN -0.138 nan 8.370 nan 0.000 0.515 852 P HA -0.069 nan 4.420 nan 0.000 0.226 852 P C 1.102 178.427 177.300 0.042 0.000 1.153 852 P CA 0.635 63.755 63.100 0.034 0.000 0.777 852 P CB 0.178 31.892 31.700 0.024 0.000 0.794 853 S N -1.526 114.205 115.700 0.051 0.000 2.562 853 S HA 0.096 4.498 4.470 -0.114 0.000 0.221 853 S C 1.526 176.184 174.600 0.097 0.000 0.975 853 S CA 0.469 58.706 58.200 0.062 0.000 0.918 853 S CB -0.492 62.739 63.200 0.052 0.000 0.772 853 S HN 0.129 nan 8.310 nan 0.000 0.531 854 K N -0.442 120.022 120.400 0.107 0.000 2.435 854 K HA 0.385 4.636 4.320 -0.114 0.000 0.199 854 K C -0.643 176.074 176.600 0.195 0.000 1.153 854 K CA -0.012 56.380 56.287 0.176 0.000 0.974 854 K CB 0.579 33.157 32.500 0.129 0.000 0.997 854 K HN 0.274 nan 8.250 nan 0.000 0.547 855 L N 2.911 124.174 121.223 0.066 0.000 2.490 855 L HA 0.384 4.655 4.340 -0.114 0.000 0.256 855 L C -2.950 173.872 176.870 -0.079 0.000 1.089 855 L CA -2.110 52.666 54.840 -0.106 0.000 0.916 855 L CB 1.223 43.100 42.059 -0.303 0.000 1.188 855 L HN -0.154 nan 8.230 nan 0.000 0.476 856 P HA 0.403 nan 4.420 nan 0.000 0.281 856 P C 0.279 177.495 177.300 -0.141 0.000 1.281 856 P CA 0.101 63.165 63.100 -0.059 0.000 0.811 856 P CB 1.074 32.764 31.700 -0.018 0.000 1.154 857 G N -0.226 108.463 108.800 -0.185 0.000 2.338 857 G HA2 -0.242 3.649 3.960 -0.114 0.000 0.296 857 G HA3 -0.242 3.649 3.960 -0.114 0.000 0.296 857 G C -0.487 173.884 174.900 -0.882 0.000 1.040 857 G CA -0.226 44.566 45.100 -0.513 0.000 1.004 857 G HN 0.495 nan 8.290 nan 0.000 0.509 858 F N 1.211 120.612 119.950 -0.914 0.000 2.363 858 F HA 0.589 5.048 4.527 -0.114 0.000 0.366 858 F C 0.836 176.262 175.800 -0.623 0.000 1.083 858 F CA -2.771 54.822 58.000 -0.678 0.000 1.176 858 F CB 0.175 38.954 39.000 -0.369 0.000 1.432 858 F HN 0.189 nan 8.300 nan 0.000 0.482 859 Y N 2.925 123.155 120.300 -0.117 0.000 2.420 859 Y HA -0.183 4.299 4.550 -0.114 0.000 0.292 859 Y C 2.097 177.717 175.900 -0.465 0.000 1.119 859 Y CA 0.990 58.889 58.100 -0.336 0.000 1.229 859 Y CB -0.451 37.774 38.460 -0.392 0.000 1.026 859 Y HN 0.574 nan 8.280 nan 0.000 0.554 860 Y N 1.965 121.911 120.300 -0.590 0.000 2.128 860 Y HA -0.322 4.159 4.550 -0.115 0.000 0.284 860 Y C 2.712 178.418 175.900 -0.324 0.000 1.154 860 Y CA 1.960 59.910 58.100 -0.250 0.000 1.149 860 Y CB -0.434 38.015 38.460 -0.018 0.000 0.976 860 Y HN 0.005 nan 8.280 nan 0.000 0.505 861 R N 0.280 120.198 120.500 -0.969 0.000 2.080 861 R HA -0.185 4.086 4.340 -0.114 0.000 0.236 861 R C 1.758 177.768 176.300 -0.484 0.000 1.137 861 R CA 2.289 57.804 56.100 -0.975 0.000 0.943 861 R CB -0.578 28.915 30.300 -1.344 0.000 0.846 861 R HN 0.350 nan 8.270 nan 0.000 0.431 862 D N 0.589 120.799 120.400 -0.317 0.000 2.097 862 D HA -0.140 4.432 4.640 -0.114 0.000 0.195 862 D C 1.570 177.850 176.300 -0.032 0.000 0.989 862 D CA 1.414 55.347 54.000 -0.112 0.000 0.827 862 D CB -0.422 40.382 40.800 0.008 0.000 0.966 862 D HN 0.341 nan 8.370 nan 0.000 0.456 863 D N -0.019 120.391 120.400 0.018 0.000 2.123 863 D HA -0.036 4.536 4.640 -0.114 0.000 0.200 863 D C 2.204 178.574 176.300 0.118 0.000 0.976 863 D CA 1.203 55.273 54.000 0.117 0.000 0.831 863 D CB -0.711 40.240 40.800 0.250 0.000 0.974 863 D HN 0.248 nan 8.370 nan 0.000 0.469 864 G N 1.022 109.835 108.800 0.021 0.000 2.446 864 G HA2 -0.219 3.672 3.960 -0.114 0.000 0.217 864 G HA3 -0.219 3.672 3.960 -0.114 0.000 0.217 864 G C 1.751 176.717 174.900 0.111 0.000 1.168 864 G CA 0.396 45.553 45.100 0.095 0.000 0.771 864 G HN 0.243 nan 8.290 nan 0.000 0.551 865 L N 0.625 121.813 121.223 -0.059 0.000 2.083 865 L HA -0.058 4.214 4.340 -0.114 0.000 0.209 865 L C 3.424 180.361 176.870 0.111 0.000 1.083 865 L CA 0.973 55.800 54.840 -0.022 0.000 0.752 865 L CB -0.386 41.612 42.059 -0.101 0.000 0.899 865 L HN 0.320 nan 8.230 nan 0.000 0.433 866 A N 0.138 123.021 122.820 0.105 0.000 1.902 866 A HA -0.164 4.087 4.320 -0.114 0.000 0.217 866 A C 2.223 179.919 177.584 0.188 0.000 1.181 866 A CA 1.484 53.597 52.037 0.127 0.000 0.623 866 A CB -0.649 18.409 19.000 0.097 0.000 0.818 866 A HN 0.355 nan 8.150 nan 0.000 0.443 867 L N -1.848 119.525 121.223 0.250 0.000 2.072 867 L HA -0.166 4.106 4.340 -0.114 0.000 0.205 867 L C 2.585 179.692 176.870 0.395 0.000 1.079 867 L CA 1.147 56.179 54.840 0.320 0.000 0.752 867 L CB -0.560 41.719 42.059 0.366 0.000 0.906 867 L HN 0.760 nan 8.230 nan 0.000 0.436 868 W N 1.718 123.151 121.300 0.221 0.000 2.302 868 W HA -0.294 4.298 4.660 -0.114 0.000 0.320 868 W C 2.376 178.916 176.519 0.035 0.000 1.241 868 W CA 2.300 59.646 57.345 0.000 0.000 1.264 868 W CB -0.212 29.033 29.460 -0.357 0.000 1.154 868 W HN 0.292 nan 8.180 nan 0.000 0.483 869 E N 0.753 121.096 120.200 0.238 0.000 2.085 869 E HA -0.196 4.086 4.350 -0.114 0.000 0.194 869 E C 2.172 178.826 176.600 0.089 0.000 0.994 869 E CA 1.815 58.303 56.400 0.148 0.000 0.801 869 E CB -0.526 29.274 29.700 0.167 0.000 0.743 869 E HN 0.249 nan 8.360 nan 0.000 0.453 870 A N 1.131 124.049 122.820 0.162 0.000 1.877 870 A HA -0.142 4.109 4.320 -0.114 0.000 0.216 870 A C 2.398 180.136 177.584 0.256 0.000 1.186 870 A CA 1.456 53.644 52.037 0.252 0.000 0.620 870 A CB -0.653 18.530 19.000 0.304 0.000 0.822 870 A HN 0.303 nan 8.150 nan 0.000 0.443 871 I N -0.719 119.956 120.570 0.175 0.000 2.202 871 I HA -0.242 3.860 4.170 -0.114 0.000 0.242 871 I C 2.583 178.576 176.117 -0.206 0.000 1.091 871 I CA 1.689 62.969 61.300 -0.033 0.000 1.368 871 I CB -0.336 37.667 38.000 0.004 0.000 1.058 871 I HN 0.521 nan 8.210 nan 0.000 0.410 872 E N 0.640 120.654 120.200 -0.309 0.000 2.058 872 E HA -0.239 4.043 4.350 -0.114 0.000 0.194 872 E C 2.082 178.585 176.600 -0.162 0.000 0.997 872 E CA 2.052 58.261 56.400 -0.319 0.000 0.801 872 E CB 0.036 29.523 29.700 -0.355 0.000 0.746 872 E HN 0.407 nan 8.360 nan 0.000 0.450 873 T N 0.749 115.263 114.554 -0.068 0.000 2.708 873 T HA -0.179 4.103 4.350 -0.114 0.000 0.266 873 T C 1.398 176.083 174.700 -0.027 0.000 1.037 873 T CA 1.425 63.517 62.100 -0.013 0.000 1.146 873 T CB -0.502 68.401 68.868 0.058 0.000 0.865 873 T HN 0.264 nan 8.240 nan 0.000 0.435 874 F N 1.821 121.635 119.950 -0.226 0.000 2.069 874 F HA -0.052 4.406 4.527 -0.115 0.000 0.298 874 F C 2.019 177.649 175.800 -0.283 0.000 1.113 874 F CA 0.920 58.720 58.000 -0.333 0.000 1.214 874 F CB -0.712 37.778 39.000 -0.851 0.000 0.978 874 F HN 0.098 nan 8.300 nan 0.000 0.474 875 I N 0.382 120.629 120.570 -0.538 0.000 2.208 875 I HA -0.269 3.833 4.170 -0.114 0.000 0.245 875 I C 2.764 178.667 176.117 -0.356 0.000 1.097 875 I CA 1.454 62.431 61.300 -0.539 0.000 1.363 875 I CB -1.442 36.347 38.000 -0.351 0.000 1.051 875 I HN 0.354 nan 8.210 nan 0.000 0.413 876 G N 0.480 109.134 108.800 -0.243 0.000 2.476 876 G HA2 -0.262 3.630 3.960 -0.114 0.000 0.218 876 G HA3 -0.262 3.630 3.960 -0.114 0.000 0.218 876 G C 1.513 176.323 174.900 -0.150 0.000 1.164 876 G CA 0.797 45.803 45.100 -0.157 0.000 0.768 876 G HN 0.436 nan 8.290 nan 0.000 0.560 877 E N -0.132 119.963 120.200 -0.175 0.000 2.072 877 E HA -0.076 4.206 4.350 -0.114 0.000 0.191 877 E C 2.576 179.055 176.600 -0.202 0.000 0.985 877 E CA 0.536 56.843 56.400 -0.155 0.000 0.801 877 E CB -0.083 29.554 29.700 -0.106 0.000 0.750 877 E HN 0.301 nan 8.360 nan 0.000 0.452 878 I N 1.241 121.607 120.570 -0.339 0.000 2.163 878 I HA -0.269 3.833 4.170 -0.114 0.000 0.243 878 I C 2.438 178.572 176.117 0.027 0.000 1.085 878 I CA 1.345 62.493 61.300 -0.252 0.000 1.347 878 I CB -0.897 36.823 38.000 -0.466 0.000 1.044 878 I HN 0.165 nan 8.210 nan 0.000 0.408 879 I N 1.089 121.654 120.570 -0.007 0.000 2.151 879 I HA -0.313 3.789 4.170 -0.114 0.000 0.243 879 I C 2.694 178.915 176.117 0.174 0.000 1.080 879 I CA 1.641 63.034 61.300 0.154 0.000 1.339 879 I CB -0.484 37.501 38.000 -0.026 0.000 1.039 879 I HN 0.148 nan 8.210 nan 0.000 0.409 880 A N 0.594 123.427 122.820 0.022 0.000 2.019 880 A HA -0.156 4.096 4.320 -0.114 0.000 0.219 880 A C 2.250 179.786 177.584 -0.080 0.000 1.164 880 A CA 1.394 53.425 52.037 -0.009 0.000 0.644 880 A CB -0.800 18.173 19.000 -0.044 0.000 0.805 880 A HN 0.438 nan 8.150 nan 0.000 0.449 881 I N -2.166 118.294 120.570 -0.182 0.000 2.252 881 I HA -0.210 3.892 4.170 -0.114 0.000 0.245 881 I C 2.010 177.765 176.117 -0.603 0.000 1.102 881 I CA 1.395 62.416 61.300 -0.464 0.000 1.385 881 I CB -0.235 37.328 38.000 -0.728 0.000 1.064 881 I HN 0.357 nan 8.210 nan 0.000 0.414 882 F N -1.233 118.664 119.950 -0.088 0.000 2.505 882 F HA 0.108 4.567 4.527 -0.112 0.000 0.289 882 F C 0.312 175.926 175.800 -0.310 0.000 1.101 882 F CA -0.120 57.739 58.000 -0.235 0.000 1.446 882 F CB -0.040 38.747 39.000 -0.356 0.000 1.123 882 F HN -0.160 nan 8.300 nan 0.000 0.564 883 Y N 1.183 121.542 120.300 0.099 0.000 2.369 883 Y HA 0.305 4.787 4.550 -0.115 0.000 0.337 883 Y C 1.028 176.950 175.900 0.038 0.000 0.961 883 Y CA -1.101 57.050 58.100 0.085 0.000 1.186 883 Y CB 0.800 39.302 38.460 0.070 0.000 1.139 883 Y HN -0.247 nan 8.280 nan 0.000 0.494 884 K N 2.021 122.519 120.400 0.164 0.000 2.418 884 K HA 0.064 4.316 4.320 -0.114 0.000 0.195 884 K C -0.365 176.286 176.600 0.084 0.000 1.035 884 K CA 0.402 56.740 56.287 0.086 0.000 1.003 884 K CB -0.335 32.198 32.500 0.055 0.000 0.793 884 K HN 0.890 nan 8.250 nan 0.000 0.494 885 N N -1.918 116.854 118.700 0.120 0.000 3.261 885 N HA 0.077 4.749 4.740 -0.114 0.000 0.248 885 N C -0.401 175.165 175.510 0.095 0.000 1.498 885 N CA -0.583 52.516 53.050 0.081 0.000 0.884 885 N CB 0.069 38.590 38.487 0.055 0.000 1.428 885 N HN -0.394 nan 8.380 nan 0.000 0.517 886 D N -0.536 119.898 120.400 0.056 0.000 2.178 886 D HA -0.118 4.453 4.640 -0.114 0.000 0.201 886 D C 0.787 177.126 176.300 0.065 0.000 0.980 886 D CA 1.327 55.357 54.000 0.049 0.000 0.842 886 D CB -0.241 40.580 40.800 0.034 0.000 0.948 886 D HN 0.733 nan 8.370 nan 0.000 0.472 887 D N 0.386 120.816 120.400 0.050 0.000 2.144 887 D HA -0.142 4.430 4.640 -0.114 0.000 0.199 887 D C 1.302 177.622 176.300 0.033 0.000 0.984 887 D CA 0.948 54.960 54.000 0.021 0.000 0.834 887 D CB 0.095 40.884 40.800 -0.017 0.000 0.955 887 D HN -0.079 nan 8.370 nan 0.000 0.465 888 D N -0.614 119.862 120.400 0.126 0.000 2.123 888 D HA -0.129 4.442 4.640 -0.114 0.000 0.196 888 D C 2.225 178.843 176.300 0.530 0.000 0.992 888 D CA 0.683 54.884 54.000 0.334 0.000 0.833 888 D CB -0.246 40.833 40.800 0.466 0.000 0.954 888 D HN 0.158 nan 8.370 nan 0.000 0.455 889 V N 1.012 121.156 119.914 0.384 0.000 2.261 889 V HA -0.247 3.804 4.120 -0.114 0.000 0.246 889 V C 2.318 178.559 176.094 0.245 0.000 1.047 889 V CA 1.601 64.037 62.300 0.227 0.000 1.015 889 V CB -0.411 31.376 31.823 -0.061 0.000 0.642 889 V HN 0.184 nan 8.190 nan 0.000 0.446 890 K N -0.023 120.472 120.400 0.158 0.000 2.074 890 K HA -0.212 4.040 4.320 -0.114 0.000 0.209 890 K C 2.240 178.909 176.600 0.114 0.000 1.048 890 K CA 1.731 58.090 56.287 0.120 0.000 0.926 890 K CB -0.272 32.263 32.500 0.058 0.000 0.713 890 K HN 0.406 nan 8.250 nan 0.000 0.444 891 R N 0.702 121.247 120.500 0.074 0.000 2.275 891 R HA -0.024 4.247 4.340 -0.114 0.000 0.199 891 R C 0.266 176.716 176.300 0.250 0.000 0.989 891 R CA 0.182 56.276 56.100 -0.009 0.000 1.016 891 R CB 0.018 30.051 30.300 -0.445 0.000 0.918 891 R HN 0.108 nan 8.270 nan 0.000 0.473 892 D N 0.635 121.305 120.400 0.450 0.000 2.374 892 D HA -0.035 4.536 4.640 -0.114 0.000 0.240 892 D C 0.482 176.999 176.300 0.363 0.000 1.229 892 D CA 0.029 54.358 54.000 0.548 0.000 0.895 892 D CB 0.450 41.625 40.800 0.624 0.000 1.046 892 D HN -0.098 nan 8.370 nan 0.000 0.498 893 N N 3.236 122.112 118.700 0.294 0.000 2.289 893 N HA -0.155 4.517 4.740 -0.114 0.000 0.184 893 N C 1.165 176.805 175.510 0.215 0.000 1.016 893 N CA 1.209 54.387 53.050 0.213 0.000 0.872 893 N CB 0.279 38.864 38.487 0.162 0.000 0.973 893 N HN 0.493 nan 8.380 nan 0.000 0.433 894 E N -0.458 119.879 120.200 0.228 0.000 2.046 894 E HA -0.105 4.177 4.350 -0.114 0.000 0.190 894 E C 1.625 178.336 176.600 0.186 0.000 0.982 894 E CA 0.719 57.222 56.400 0.172 0.000 0.800 894 E CB -0.017 29.756 29.700 0.122 0.000 0.756 894 E HN 0.330 nan 8.360 nan 0.000 0.449 895 I N 1.341 122.052 120.570 0.235 0.000 2.493 895 I HA -0.224 3.877 4.170 -0.114 0.000 0.254 895 I C 1.987 178.408 176.117 0.506 0.000 1.160 895 I CA 1.199 62.681 61.300 0.302 0.000 1.445 895 I CB 0.030 38.202 38.000 0.285 0.000 1.086 895 I HN 0.011 nan 8.210 nan 0.000 0.433 896 Q N -0.269 119.764 119.800 0.388 0.000 2.083 896 Q HA -0.088 4.183 4.340 -0.114 0.000 0.198 896 Q C 2.414 178.582 176.000 0.280 0.000 0.969 896 Q CA 1.685 57.675 55.803 0.313 0.000 0.838 896 Q CB -0.554 28.311 28.738 0.212 0.000 0.900 896 Q HN 0.443 nan 8.270 nan 0.000 0.436 897 S N 0.534 116.399 115.700 0.274 0.000 2.382 897 S HA -0.153 4.249 4.470 -0.114 0.000 0.228 897 S C 1.358 176.146 174.600 0.314 0.000 1.027 897 S CA 0.996 59.361 58.200 0.276 0.000 0.991 897 S CB -0.389 62.951 63.200 0.233 0.000 0.823 897 S HN 0.513 nan 8.310 nan 0.000 0.469 898 W N 1.878 123.266 121.300 0.148 0.000 2.333 898 W HA -0.169 4.420 4.660 -0.117 0.000 0.316 898 W C 1.890 178.478 176.519 0.115 0.000 1.215 898 W CA 1.194 58.617 57.345 0.131 0.000 1.278 898 W CB -0.588 28.945 29.460 0.120 0.000 1.154 898 W HN 0.231 nan 8.180 nan 0.000 0.486 899 I N -0.381 120.297 120.570 0.181 0.000 2.439 899 I HA -0.191 3.911 4.170 -0.114 0.000 0.251 899 I C 2.246 178.255 176.117 -0.180 0.000 1.139 899 I CA 1.469 62.654 61.300 -0.191 0.000 1.438 899 I CB -1.139 36.698 38.000 -0.271 0.000 1.085 899 I HN 0.202 nan 8.210 nan 0.000 0.427 900 Y N 0.875 121.109 120.300 -0.110 0.000 2.200 900 Y HA -0.235 4.246 4.550 -0.114 0.000 0.290 900 Y C 2.267 178.142 175.900 -0.041 0.000 1.137 900 Y CA 1.999 60.057 58.100 -0.070 0.000 1.163 900 Y CB -0.435 38.007 38.460 -0.030 0.000 0.988 900 Y HN 0.235 nan 8.280 nan 0.000 0.518 901 D N -0.512 119.857 120.400 -0.053 0.000 2.123 901 D HA -0.174 4.398 4.640 -0.114 0.000 0.196 901 D C 2.210 178.363 176.300 -0.245 0.000 0.992 901 D CA 1.679 55.648 54.000 -0.051 0.000 0.833 901 D CB -0.164 40.760 40.800 0.207 0.000 0.954 901 D HN 0.270 nan 8.370 nan 0.000 0.455 902 V N -0.191 119.486 119.914 -0.395 0.000 2.358 902 V HA -0.221 3.830 4.120 -0.114 0.000 0.246 902 V C 2.331 178.095 176.094 -0.551 0.000 1.047 902 V CA 2.046 63.967 62.300 -0.632 0.000 1.035 902 V CB -0.804 30.262 31.823 -1.262 0.000 0.658 902 V HN 0.341 nan 8.190 nan 0.000 0.452 903 H N 0.842 119.584 119.070 -0.546 0.000 2.289 903 H HA -0.237 4.251 4.556 -0.114 0.000 0.296 903 H C 2.237 177.308 175.328 -0.428 0.000 1.091 903 H CA 2.525 58.323 56.048 -0.416 0.000 1.274 903 H CB 0.044 29.593 29.762 -0.356 0.000 1.364 903 H HN 0.265 nan 8.280 nan 0.000 0.490 904 K N -0.200 119.841 120.400 -0.599 0.000 2.098 904 K HA 0.073 4.324 4.320 -0.114 0.000 0.203 904 K C 1.088 177.380 176.600 -0.514 0.000 1.051 904 K CA 1.720 57.649 56.287 -0.597 0.000 0.957 904 K CB 0.283 32.294 32.500 -0.814 0.000 0.738 904 K HN 0.522 nan 8.250 nan 0.000 0.447 905 N N -1.733 116.597 118.700 -0.618 0.000 2.181 905 N HA 0.169 4.840 4.740 -0.114 0.000 0.207 905 N C 0.901 175.759 175.510 -1.086 0.000 1.182 905 N CA 0.246 52.794 53.050 -0.837 0.000 0.893 905 N CB 1.263 39.078 38.487 -1.120 0.000 1.032 905 N HN 0.195 nan 8.380 nan 0.000 0.513 906 G N 0.055 108.382 108.800 -0.789 0.000 2.765 906 G HA2 -0.010 3.881 3.960 -0.114 0.000 0.218 906 G HA3 -0.010 3.881 3.960 -0.114 0.000 0.218 906 G C -0.568 174.420 174.900 0.146 0.000 1.271 906 G CA -0.146 44.677 45.100 -0.462 0.000 0.865 906 G HN 0.127 nan 8.290 nan 0.000 0.604 907 W N 2.980 124.175 121.300 -0.174 0.000 2.060 907 W HA 0.619 5.209 4.660 -0.116 0.000 0.347 907 W C 0.003 176.524 176.519 0.004 0.000 0.831 907 W CA -1.789 55.597 57.345 0.070 0.000 1.590 907 W CB -0.457 29.024 29.460 0.035 0.000 1.737 907 W HN -0.019 nan 8.180 nan 0.000 0.329 908 R N 0.886 121.473 120.500 0.144 0.000 2.401 908 R HA 0.249 4.520 4.340 -0.114 0.000 0.299 908 R C 0.048 176.286 176.300 -0.103 0.000 1.064 908 R CA -0.367 55.672 56.100 -0.101 0.000 1.000 908 R CB 0.976 31.128 30.300 -0.247 0.000 0.973 908 R HN -0.068 nan 8.270 nan 0.000 0.438 909 V N 5.114 124.923 119.914 -0.174 0.000 2.287 909 V HA 0.024 4.076 4.120 -0.114 0.000 0.246 909 V C 0.211 176.112 176.094 -0.322 0.000 1.165 909 V CA -0.160 61.974 62.300 -0.277 0.000 1.088 909 V CB -0.435 31.224 31.823 -0.273 0.000 1.242 909 V HN 0.645 nan 8.190 nan 0.000 0.497 910 N N 4.947 123.323 118.700 -0.539 0.000 2.478 910 N HA 0.464 5.136 4.740 -0.114 0.000 0.275 910 N C -2.633 172.786 175.510 -0.153 0.000 1.221 910 N CA -2.073 50.754 53.050 -0.372 0.000 0.979 910 N CB 0.772 39.013 38.487 -0.411 0.000 1.202 910 N HN 0.188 nan 8.380 nan 0.000 0.564 911 P HA 0.076 nan 4.420 nan 0.000 0.260 911 P C 0.502 177.867 177.300 0.109 0.000 1.185 911 P CA 0.980 64.087 63.100 0.012 0.000 0.763 911 P CB 0.071 31.769 31.700 -0.003 0.000 0.776 912 G N 1.586 110.436 108.800 0.083 0.000 2.176 912 G HA2 -0.176 3.715 3.960 -0.114 0.000 0.232 912 G HA3 -0.176 3.715 3.960 -0.114 0.000 0.232 912 G C 0.044 174.968 174.900 0.040 0.000 0.986 912 G CA -0.464 44.674 45.100 0.064 0.000 0.643 912 G HN 0.644 nan 8.290 nan 0.000 0.522 913 H N 0.813 119.822 119.070 -0.102 0.000 2.463 913 H HA 0.388 4.876 4.556 -0.114 0.000 0.332 913 H C 0.256 175.437 175.328 -0.244 0.000 1.127 913 H CA -0.744 55.201 56.048 -0.172 0.000 1.238 913 H CB 1.058 30.696 29.762 -0.207 0.000 1.478 913 H HN 0.191 nan 8.280 nan 0.000 0.499 914 Q N 1.308 121.000 119.800 -0.180 0.000 2.535 914 Q HA -0.010 4.261 4.340 -0.114 0.000 0.228 914 Q C -0.180 175.585 176.000 -0.390 0.000 1.062 914 Q CA -0.008 55.672 55.803 -0.205 0.000 0.967 914 Q CB 0.691 29.346 28.738 -0.138 0.000 1.273 914 Q HN 0.640 nan 8.270 nan 0.000 0.554 915 D N -0.425 119.827 120.400 -0.246 0.000 2.414 915 D HA -0.061 4.511 4.640 -0.114 0.000 0.242 915 D C 0.277 176.445 176.300 -0.220 0.000 1.129 915 D CA 0.187 54.042 54.000 -0.242 0.000 0.885 915 D CB 0.542 41.294 40.800 -0.080 0.000 1.198 915 D HN 0.323 nan 8.370 nan 0.000 0.437 916 H N 2.805 121.897 119.070 0.035 0.000 2.529 916 H HA 0.224 4.712 4.556 -0.113 0.000 0.277 916 H C 1.486 176.951 175.328 0.229 0.000 1.004 916 H CA 0.551 56.675 56.048 0.127 0.000 1.167 916 H CB 0.526 30.399 29.762 0.186 0.000 1.445 916 H HN 0.697 nan 8.280 nan 0.000 0.554 917 G N 1.116 110.051 108.800 0.226 0.000 2.166 917 G HA2 -0.296 3.596 3.960 -0.114 0.000 0.260 917 G HA3 -0.296 3.596 3.960 -0.114 0.000 0.260 917 G C 0.266 175.272 174.900 0.176 0.000 0.986 917 G CA 0.545 45.763 45.100 0.196 0.000 0.683 917 G HN 0.254 nan 8.290 nan 0.000 0.527 918 V N 2.504 122.521 119.914 0.171 0.000 2.408 918 V HA 0.387 4.439 4.120 -0.114 0.000 0.267 918 V C -1.136 175.021 176.094 0.105 0.000 1.047 918 V CA -1.487 60.851 62.300 0.063 0.000 0.937 918 V CB 1.123 32.890 31.823 -0.093 0.000 0.999 918 V HN 0.205 nan 8.190 nan 0.000 0.472 919 P HA 0.160 nan 4.420 nan 0.000 0.269 919 P C 0.438 177.559 177.300 -0.299 0.000 1.215 919 P CA -0.187 62.827 63.100 -0.144 0.000 0.780 919 P CB 1.037 32.610 31.700 -0.212 0.000 0.898 920 A N 1.536 124.084 122.820 -0.454 0.000 2.123 920 A HA 0.183 4.435 4.320 -0.114 0.000 0.214 920 A C 0.866 178.323 177.584 -0.211 0.000 1.152 920 A CA 1.196 52.898 52.037 -0.558 0.000 0.728 920 A CB -0.494 18.144 19.000 -0.604 0.000 0.814 920 A HN 0.699 nan 8.150 nan 0.000 0.464 921 S N -2.420 113.132 115.700 -0.247 0.000 2.625 921 S HA 0.719 5.120 4.470 -0.114 0.000 0.271 921 S C -0.989 173.449 174.600 -0.270 0.000 1.161 921 S CA -0.796 57.292 58.200 -0.188 0.000 0.820 921 S CB 0.616 63.773 63.200 -0.070 0.000 1.137 921 S HN 0.097 nan 8.310 nan 0.000 0.470 922 F N 1.637 121.628 119.950 0.069 0.000 2.420 922 F HA 0.444 4.902 4.527 -0.115 0.000 0.342 922 F C 1.579 177.399 175.800 0.034 0.000 1.113 922 F CA -0.667 57.367 58.000 0.057 0.000 1.059 922 F CB 1.775 40.813 39.000 0.064 0.000 1.128 922 F HN 0.732 nan 8.300 nan 0.000 0.475 923 E N 0.804 121.137 120.200 0.222 0.000 2.415 923 E HA 0.080 4.362 4.350 -0.114 0.000 0.197 923 E C 0.105 176.765 176.600 0.100 0.000 1.007 923 E CA 0.279 56.754 56.400 0.125 0.000 0.890 923 E CB 0.543 30.292 29.700 0.082 0.000 0.891 923 E HN 0.471 nan 8.360 nan 0.000 0.496 924 S N -0.353 115.409 115.700 0.102 0.000 2.596 924 S HA 0.438 4.840 4.470 -0.114 0.000 0.270 924 S C 0.470 175.036 174.600 -0.057 0.000 1.155 924 S CA -0.925 57.293 58.200 0.030 0.000 0.827 924 S CB 2.366 65.589 63.200 0.039 0.000 1.130 924 S HN -0.091 nan 8.310 nan 0.000 0.467 925 R N 0.823 121.267 120.500 -0.093 0.000 2.091 925 R HA -0.111 4.160 4.340 -0.114 0.000 0.238 925 R C 2.078 178.302 176.300 -0.127 0.000 1.136 925 R CA 1.821 57.821 56.100 -0.167 0.000 0.959 925 R CB -0.443 29.799 30.300 -0.097 0.000 0.856 925 R HN 0.877 nan 8.270 nan 0.000 0.437 926 E N 1.036 121.208 120.200 -0.047 0.000 2.077 926 E HA -0.266 4.016 4.350 -0.114 0.000 0.193 926 E C 2.126 178.737 176.600 0.018 0.000 0.989 926 E CA 1.253 57.649 56.400 -0.007 0.000 0.800 926 E CB 0.079 29.795 29.700 0.028 0.000 0.746 926 E HN 0.325 nan 8.360 nan 0.000 0.452 927 Q N 0.095 119.925 119.800 0.049 0.000 2.119 927 Q HA -0.176 4.096 4.340 -0.114 0.000 0.201 927 Q C 2.342 178.390 176.000 0.081 0.000 0.972 927 Q CA 1.030 56.922 55.803 0.149 0.000 0.847 927 Q CB -0.033 28.866 28.738 0.269 0.000 0.903 927 Q HN 0.281 nan 8.270 nan 0.000 0.433 928 L N 1.328 122.394 121.223 -0.261 0.000 2.046 928 L HA -0.181 4.091 4.340 -0.114 0.000 0.208 928 L C 2.256 178.937 176.870 -0.315 0.000 1.077 928 L CA 1.996 56.412 54.840 -0.708 0.000 0.747 928 L CB -0.554 40.987 42.059 -0.862 0.000 0.896 928 L HN 0.102 nan 8.230 nan 0.000 0.432 929 K N -0.523 119.757 120.400 -0.200 0.000 2.057 929 K HA -0.265 3.986 4.320 -0.114 0.000 0.207 929 K C 2.162 178.720 176.600 -0.069 0.000 1.049 929 K CA 1.849 58.051 56.287 -0.142 0.000 0.931 929 K CB -0.226 32.208 32.500 -0.110 0.000 0.714 929 K HN 0.539 nan 8.250 nan 0.000 0.440 930 E N -0.026 120.199 120.200 0.041 0.000 2.051 930 E HA -0.171 4.110 4.350 -0.114 0.000 0.192 930 E C 1.817 178.520 176.600 0.170 0.000 0.991 930 E CA 1.471 57.970 56.400 0.166 0.000 0.799 930 E CB 0.129 29.993 29.700 0.272 0.000 0.748 930 E HN 0.167 nan 8.360 nan 0.000 0.449 931 V N 1.148 121.171 119.914 0.183 0.000 2.379 931 V HA -0.226 3.826 4.120 -0.114 0.000 0.245 931 V C 2.417 178.570 176.094 0.098 0.000 1.044 931 V CA 1.321 63.748 62.300 0.212 0.000 1.036 931 V CB -0.373 31.719 31.823 0.448 0.000 0.664 931 V HN 0.325 nan 8.190 nan 0.000 0.453 932 L N -0.348 120.896 121.223 0.036 0.000 2.093 932 L HA -0.142 4.129 4.340 -0.114 0.000 0.208 932 L C 2.631 179.444 176.870 -0.096 0.000 1.085 932 L CA 1.762 56.587 54.840 -0.026 0.000 0.755 932 L CB -0.964 41.022 42.059 -0.123 0.000 0.904 932 L HN 0.348 nan 8.230 nan 0.000 0.435 933 T N -0.915 113.527 114.554 -0.187 0.000 2.708 933 T HA -0.172 4.110 4.350 -0.114 0.000 0.266 933 T C 2.155 176.652 174.700 -0.338 0.000 1.037 933 T CA 1.689 63.538 62.100 -0.418 0.000 1.146 933 T CB -0.177 68.243 68.868 -0.747 0.000 0.865 933 T HN 0.264 nan 8.240 nan 0.000 0.435 934 S N 1.411 117.079 115.700 -0.054 0.000 2.365 934 S HA -0.094 4.308 4.470 -0.114 0.000 0.225 934 S C 1.951 176.680 174.600 0.216 0.000 1.039 934 S CA 0.986 59.370 58.200 0.307 0.000 1.033 934 S CB -0.568 62.843 63.200 0.352 0.000 0.887 934 S HN 0.258 nan 8.310 nan 0.000 0.447 935 L N 1.640 122.860 121.223 -0.005 0.000 2.027 935 L HA -0.010 4.262 4.340 -0.114 0.000 0.206 935 L C 2.232 179.122 176.870 0.033 0.000 1.074 935 L CA 1.590 56.345 54.840 -0.142 0.000 0.745 935 L CB -0.675 41.244 42.059 -0.234 0.000 0.898 935 L HN 0.136 nan 8.230 nan 0.000 0.433 936 V N -0.793 119.175 119.914 0.091 0.000 2.358 936 V HA -0.279 3.773 4.120 -0.114 0.000 0.246 936 V C 2.314 178.489 176.094 0.136 0.000 1.047 936 V CA 1.910 64.254 62.300 0.074 0.000 1.035 936 V CB -0.807 30.910 31.823 -0.176 0.000 0.658 936 V HN 0.517 nan 8.190 nan 0.000 0.452 937 F N 1.378 121.344 119.950 0.027 0.000 2.161 937 F HA -0.240 4.218 4.527 -0.114 0.000 0.300 937 F C 2.355 178.308 175.800 0.255 0.000 1.089 937 F CA 2.303 60.394 58.000 0.152 0.000 1.282 937 F CB -0.394 38.735 39.000 0.215 0.000 1.010 937 F HN 0.127 nan 8.300 nan 0.000 0.485 938 T N 0.329 115.096 114.554 0.355 0.000 2.770 938 T HA -0.157 4.125 4.350 -0.114 0.000 0.263 938 T C 1.837 176.657 174.700 0.200 0.000 1.039 938 T CA 1.626 63.897 62.100 0.284 0.000 1.142 938 T CB -0.793 68.268 68.868 0.322 0.000 0.868 938 T HN 0.265 nan 8.240 nan 0.000 0.435 939 F N 1.873 121.939 119.950 0.192 0.000 2.154 939 F HA -0.201 4.258 4.527 -0.113 0.000 0.301 939 F C 2.781 178.697 175.800 0.194 0.000 1.087 939 F CA 1.192 59.293 58.000 0.169 0.000 1.274 939 F CB -0.129 38.986 39.000 0.191 0.000 1.009 939 F HN 0.263 nan 8.300 nan 0.000 0.485 940 S N -1.403 114.515 115.700 0.363 0.000 2.440 940 S HA -0.086 4.316 4.470 -0.114 0.000 0.194 940 S C 1.970 176.679 174.600 0.182 0.000 0.952 940 S CA 0.633 59.015 58.200 0.303 0.000 0.898 940 S CB -0.843 62.532 63.200 0.291 0.000 0.875 940 S HN 0.299 nan 8.310 nan 0.000 0.581 941 C N 1.754 120.991 119.300 -0.104 0.000 2.453 941 C HA 0.064 4.456 4.460 -0.114 0.000 0.277 941 C C 3.045 177.935 174.990 -0.168 0.000 1.262 941 C CA 1.214 60.072 59.018 -0.268 0.000 1.718 941 C CB -1.368 25.886 27.740 -0.810 0.000 2.031 941 C HN 0.773 nan 8.230 nan 0.000 0.480 942 Q N 0.576 120.221 119.800 -0.259 0.000 2.050 942 Q HA -0.193 4.079 4.340 -0.114 0.000 0.202 942 Q C 2.219 178.351 176.000 0.220 0.000 0.980 942 Q CA 1.903 57.795 55.803 0.148 0.000 0.840 942 Q CB -0.803 28.119 28.738 0.306 0.000 0.898 942 Q HN 0.803 nan 8.270 nan 0.000 0.424 943 H N -0.553 118.609 119.070 0.154 0.000 2.352 943 H HA -0.140 4.348 4.556 -0.113 0.000 0.299 943 H C 1.608 177.033 175.328 0.161 0.000 1.097 943 H CA 1.764 57.914 56.048 0.170 0.000 1.311 943 H CB -0.032 29.830 29.762 0.167 0.000 1.377 943 H HN 0.391 nan 8.280 nan 0.000 0.504 944 A N 1.410 124.358 122.820 0.212 0.000 1.865 944 A HA -0.132 4.120 4.320 -0.114 0.000 0.217 944 A C 2.775 180.470 177.584 0.185 0.000 1.191 944 A CA 2.113 54.361 52.037 0.351 0.000 0.623 944 A CB -1.271 18.009 19.000 0.465 0.000 0.826 944 A HN 0.602 nan 8.150 nan 0.000 0.444 945 A N -0.373 122.573 122.820 0.210 0.000 1.948 945 A HA -0.048 4.204 4.320 -0.114 0.000 0.220 945 A C 2.177 179.770 177.584 0.015 0.000 1.177 945 A CA 2.444 54.625 52.037 0.239 0.000 0.636 945 A CB -0.994 18.312 19.000 0.510 0.000 0.815 945 A HN 1.287 nan 8.150 nan 0.000 0.449 946 V N -3.287 116.602 119.914 -0.041 0.000 3.660 946 V HA 0.127 4.179 4.120 -0.114 0.000 0.276 946 V C 1.401 177.346 176.094 -0.248 0.000 1.317 946 V CA 1.231 63.492 62.300 -0.065 0.000 1.097 946 V CB -0.451 31.425 31.823 0.088 0.000 0.863 946 V HN 0.622 nan 8.190 nan 0.000 0.438 947 N N 0.517 118.896 118.700 -0.535 0.000 2.513 947 N HA 0.110 4.781 4.740 -0.114 0.000 0.196 947 N C 1.510 176.576 175.510 -0.741 0.000 1.041 947 N CA 0.832 53.360 53.050 -0.869 0.000 0.916 947 N CB 0.121 37.765 38.487 -1.405 0.000 1.172 947 N HN 0.495 nan 8.380 nan 0.000 0.444 948 F N 1.867 121.619 119.950 -0.330 0.000 2.748 948 F HA 0.081 4.539 4.527 -0.115 0.000 0.299 948 F C 2.373 177.898 175.800 -0.458 0.000 1.154 948 F CA 0.343 58.174 58.000 -0.282 0.000 1.446 948 F CB 0.067 39.015 39.000 -0.087 0.000 1.112 948 F HN 0.115 nan 8.300 nan 0.000 0.584 949 S N -0.783 114.501 115.700 -0.692 0.000 2.561 949 S HA -0.120 4.282 4.470 -0.114 0.000 0.225 949 S C 1.603 175.926 174.600 -0.462 0.000 0.977 949 S CA 0.311 57.812 58.200 -1.164 0.000 0.926 949 S CB -0.373 62.192 63.200 -1.058 0.000 0.769 949 S HN 0.490 nan 8.310 nan 0.000 0.533 950 Q N 1.090 120.725 119.800 -0.274 0.000 2.172 950 Q HA 0.004 4.276 4.340 -0.114 0.000 0.200 950 Q C 2.206 178.240 176.000 0.056 0.000 0.964 950 Q CA 0.833 56.605 55.803 -0.053 0.000 0.855 950 Q CB -0.160 28.607 28.738 0.048 0.000 0.918 950 Q HN 0.451 nan 8.270 nan 0.000 0.444 951 K N 1.434 121.844 120.400 0.016 0.000 2.009 951 K HA -0.208 4.044 4.320 -0.114 0.000 0.210 951 K C 1.148 177.767 176.600 0.031 0.000 1.049 951 K CA 1.660 57.973 56.287 0.043 0.000 0.929 951 K CB -0.068 32.471 32.500 0.065 0.000 0.714 951 K HN 0.162 nan 8.250 nan 0.000 0.440 952 D N -0.768 119.662 120.400 0.049 0.000 2.178 952 D HA -0.130 4.442 4.640 -0.114 0.000 0.202 952 D C 1.974 178.285 176.300 0.019 0.000 0.974 952 D CA 1.003 55.037 54.000 0.057 0.000 0.841 952 D CB -0.130 40.773 40.800 0.172 0.000 0.953 952 D HN 0.461 nan 8.370 nan 0.000 0.478 953 H N -1.162 117.818 119.070 -0.149 0.000 2.343 953 H HA -0.030 4.458 4.556 -0.114 0.000 0.303 953 H C 1.124 176.250 175.328 -0.336 0.000 1.068 953 H CA 1.494 57.340 56.048 -0.336 0.000 1.359 953 H CB 0.138 29.511 29.762 -0.649 0.000 1.402 953 H HN 0.124 nan 8.280 nan 0.000 0.515 954 Y N -1.526 118.796 120.300 0.036 0.000 2.442 954 Y HA 0.219 4.700 4.550 -0.114 0.000 0.250 954 Y C 2.439 178.297 175.900 -0.070 0.000 1.113 954 Y CA 0.010 58.091 58.100 -0.031 0.000 1.273 954 Y CB 0.623 39.077 38.460 -0.010 0.000 1.138 954 Y HN 0.293 nan 8.280 nan 0.000 0.522 955 G N 0.872 109.723 108.800 0.085 0.000 2.440 955 G HA2 -0.304 3.587 3.960 -0.114 0.000 0.218 955 G HA3 -0.304 3.587 3.960 -0.114 0.000 0.218 955 G C 0.208 175.204 174.900 0.161 0.000 1.154 955 G CA 0.464 45.585 45.100 0.036 0.000 0.767 955 G HN 0.268 nan 8.290 nan 0.000 0.552 956 F N 1.977 121.894 119.950 -0.055 0.000 2.334 956 F HA 0.476 4.934 4.527 -0.114 0.000 0.367 956 F C 1.438 177.111 175.800 -0.211 0.000 1.115 956 F CA -0.724 57.245 58.000 -0.051 0.000 1.116 956 F CB 1.071 40.002 39.000 -0.115 0.000 1.230 956 F HN -0.078 nan 8.300 nan 0.000 0.484 957 T N 6.042 120.166 114.554 -0.717 0.000 2.720 957 T HA -0.079 4.203 4.350 -0.114 0.000 0.268 957 T C -0.965 173.171 174.700 -0.941 0.000 1.037 957 T CA 1.654 63.366 62.100 -0.647 0.000 1.144 957 T CB -0.705 67.881 68.868 -0.469 0.000 0.864 957 T HN 0.421 nan 8.240 nan 0.000 0.444 958 P HA -0.020 nan 4.420 nan 0.000 0.225 958 P C 1.282 178.232 177.300 -0.585 0.000 1.148 958 P CA 0.610 62.928 63.100 -1.304 0.000 0.779 958 P CB -0.215 30.349 31.700 -1.892 0.000 0.780 959 N N 0.068 118.479 118.700 -0.481 0.000 2.289 959 N HA -0.107 4.565 4.740 -0.114 0.000 0.184 959 N C 0.042 175.497 175.510 -0.090 0.000 1.016 959 N CA 1.030 54.073 53.050 -0.011 0.000 0.872 959 N CB 0.107 38.617 38.487 0.039 0.000 0.973 959 N HN -0.064 nan 8.380 nan 0.000 0.433 960 A N 0.994 123.715 122.820 -0.166 0.000 2.913 960 A HA 0.292 4.543 4.320 -0.114 0.000 0.284 960 A C -2.784 174.814 177.584 0.022 0.000 1.273 960 A CA -0.908 51.078 52.037 -0.086 0.000 0.899 960 A CB 0.654 19.460 19.000 -0.323 0.000 1.444 960 A HN 0.057 nan 8.150 nan 0.000 0.586 961 P HA 0.385 nan 4.420 nan 0.000 0.271 961 P C 0.630 177.897 177.300 -0.055 0.000 1.218 961 P CA 0.428 63.433 63.100 -0.158 0.000 0.780 961 P CB 1.642 33.154 31.700 -0.313 0.000 0.901 962 A N 2.978 125.744 122.820 -0.090 0.000 2.419 962 A HA 0.347 4.599 4.320 -0.114 0.000 0.233 962 A C 0.676 178.198 177.584 -0.104 0.000 1.217 962 A CA 0.153 52.147 52.037 -0.073 0.000 0.944 962 A CB 0.003 18.927 19.000 -0.126 0.000 1.025 962 A HN 0.487 nan 8.150 nan 0.000 0.524 963 I N 0.785 121.271 120.570 -0.139 0.000 2.582 963 I HA 0.433 4.535 4.170 -0.114 0.000 0.292 963 I C -1.146 174.863 176.117 -0.180 0.000 1.066 963 I CA -0.603 60.615 61.300 -0.135 0.000 1.053 963 I CB 2.197 40.110 38.000 -0.144 0.000 1.241 963 I HN 0.025 nan 8.210 nan 0.000 0.421 964 L N 5.455 126.582 121.223 -0.160 0.000 2.354 964 L HA 0.572 4.844 4.340 -0.114 0.000 0.269 964 L C 0.654 177.509 176.870 -0.024 0.000 1.005 964 L CA -0.696 54.012 54.840 -0.221 0.000 0.819 964 L CB 2.265 43.994 42.059 -0.550 0.000 1.311 964 L HN 0.591 nan 8.230 nan 0.000 0.423 965 R N -0.462 119.992 120.500 -0.077 0.000 2.404 965 R HA 0.249 4.520 4.340 -0.114 0.000 0.237 965 R C -0.357 175.805 176.300 -0.230 0.000 0.907 965 R CA -0.120 55.914 56.100 -0.109 0.000 1.063 965 R CB 0.519 30.656 30.300 -0.272 0.000 1.134 965 R HN 0.493 nan 8.270 nan 0.000 0.529 966 H N -0.208 118.886 119.070 0.039 0.000 2.865 966 H HA 0.352 4.839 4.556 -0.114 0.000 0.372 966 H C -2.471 172.499 175.328 -0.596 0.000 1.173 966 H CA -2.628 53.287 56.048 -0.222 0.000 1.147 966 H CB 1.812 31.539 29.762 -0.059 0.000 1.805 966 H HN -0.217 nan 8.280 nan 0.000 0.553 967 P HA 0.058 nan 4.420 nan 0.000 0.270 967 P C -2.403 174.839 177.300 -0.096 0.000 1.227 967 P CA -0.962 61.767 63.100 -0.618 0.000 0.788 967 P CB -0.365 31.108 31.700 -0.378 0.000 0.926 968 P HA 0.194 nan 4.420 nan 0.000 0.272 968 P C -2.199 175.009 177.300 -0.153 0.000 1.240 968 P CA -1.157 61.608 63.100 -0.559 0.000 0.791 968 P CB -1.229 29.909 31.700 -0.937 0.000 0.978 969 P HA 0.181 nan 4.420 nan 0.000 0.275 969 P C -0.011 177.368 177.300 0.131 0.000 1.228 969 P CA -0.006 63.143 63.100 0.083 0.000 0.786 969 P CB 0.400 32.200 31.700 0.167 0.000 0.927 970 K N -0.611 119.861 120.400 0.120 0.000 2.373 970 K HA 0.478 4.730 4.320 -0.114 0.000 0.202 970 K C 0.835 177.500 176.600 0.110 0.000 1.025 970 K CA 0.774 57.122 56.287 0.102 0.000 1.115 970 K CB -0.195 32.342 32.500 0.061 0.000 0.858 970 K HN 0.838 nan 8.250 nan 0.000 0.525 971 K N 0.797 121.296 120.400 0.164 0.000 2.551 971 K HA 0.581 4.833 4.320 -0.114 0.000 0.269 971 K C -0.903 175.840 176.600 0.238 0.000 0.949 971 K CA -0.750 55.616 56.287 0.132 0.000 0.849 971 K CB 0.794 33.351 32.500 0.096 0.000 1.411 971 K HN 0.264 nan 8.250 nan 0.000 0.432 972 K N -0.362 120.121 120.400 0.139 0.000 2.107 972 K HA 0.605 4.856 4.320 -0.114 0.000 0.251 972 K C 1.056 177.790 176.600 0.223 0.000 1.012 972 K CA 0.653 57.081 56.287 0.234 0.000 0.920 972 K CB 1.162 33.678 32.500 0.027 0.000 1.033 972 K HN 1.395 nan 8.250 nan 0.000 0.478 973 G N -0.408 108.553 108.800 0.268 0.000 2.179 973 G HA2 -0.385 3.506 3.960 -0.114 0.000 0.260 973 G HA3 -0.385 3.506 3.960 -0.114 0.000 0.260 973 G C 0.917 175.919 174.900 0.170 0.000 0.977 973 G CA 0.909 46.125 45.100 0.193 0.000 0.641 973 G HN 0.715 nan 8.290 nan 0.000 0.533 974 E N -0.369 119.939 120.200 0.181 0.000 2.158 974 E HA 0.621 4.903 4.350 -0.114 0.000 0.191 974 E C 1.696 178.365 176.600 0.115 0.000 0.982 974 E CA 1.554 58.032 56.400 0.130 0.000 0.823 974 E CB -0.298 29.473 29.700 0.119 0.000 0.766 974 E HN 2.168 nan 8.360 nan 0.000 0.468 975 A N 1.365 124.276 122.820 0.151 0.000 2.488 975 A HA 0.513 4.765 4.320 -0.114 0.000 0.249 975 A C 0.784 178.416 177.584 0.080 0.000 1.083 975 A CA 0.494 52.612 52.037 0.135 0.000 0.768 975 A CB -0.139 18.973 19.000 0.185 0.000 1.017 975 A HN 0.604 nan 8.150 nan 0.000 0.496 976 T N 0.238 114.761 114.554 -0.052 0.000 2.930 976 T HA 0.446 4.728 4.350 -0.114 0.000 0.290 976 T C 0.818 175.315 174.700 -0.339 0.000 1.052 976 T CA -0.535 61.387 62.100 -0.297 0.000 1.017 976 T CB 0.898 69.674 68.868 -0.152 0.000 1.137 976 T HN 0.596 nan 8.240 nan 0.000 0.511 977 L N 1.043 121.950 121.223 -0.527 0.000 2.081 977 L HA -0.080 4.191 4.340 -0.114 0.000 0.212 977 L C 2.933 179.731 176.870 -0.119 0.000 1.080 977 L CA 2.481 57.184 54.840 -0.228 0.000 0.754 977 L CB -0.985 40.965 42.059 -0.182 0.000 0.893 977 L HN 0.874 nan 8.230 nan 0.000 0.433 978 Q N -1.176 118.563 119.800 -0.102 0.000 2.083 978 Q HA -0.129 4.142 4.340 -0.114 0.000 0.198 978 Q C 2.596 178.589 176.000 -0.011 0.000 0.969 978 Q CA 1.615 57.392 55.803 -0.044 0.000 0.838 978 Q CB -0.568 28.148 28.738 -0.036 0.000 0.900 978 Q HN 0.928 nan 8.270 nan 0.000 0.436 979 S N -0.499 115.191 115.700 -0.017 0.000 2.406 979 S HA -0.011 4.390 4.470 -0.114 0.000 0.228 979 S C 1.964 176.601 174.600 0.061 0.000 1.020 979 S CA 1.177 59.381 58.200 0.007 0.000 0.965 979 S CB -0.507 62.688 63.200 -0.008 0.000 0.798 979 S HN 0.629 nan 8.310 nan 0.000 0.488 980 I N 1.528 122.145 120.570 0.077 0.000 2.133 980 I HA -0.142 3.960 4.170 -0.114 0.000 0.238 980 I C 2.415 178.579 176.117 0.078 0.000 1.074 980 I CA 1.305 62.688 61.300 0.140 0.000 1.342 980 I CB -0.441 37.740 38.000 0.300 0.000 1.053 980 I HN 0.267 nan 8.210 nan 0.000 0.404 981 L N 0.440 121.701 121.223 0.063 0.000 2.129 981 L HA -0.229 4.043 4.340 -0.114 0.000 0.212 981 L C 2.596 179.515 176.870 0.081 0.000 1.087 981 L CA 1.681 56.566 54.840 0.076 0.000 0.757 981 L CB -0.654 41.441 42.059 0.060 0.000 0.896 981 L HN 0.384 nan 8.230 nan 0.000 0.434 982 S N -2.267 113.487 115.700 0.090 0.000 2.562 982 S HA -0.055 4.347 4.470 -0.114 0.000 0.221 982 S C 1.693 176.393 174.600 0.166 0.000 0.975 982 S CA 0.905 59.185 58.200 0.133 0.000 0.918 982 S CB -0.082 63.229 63.200 0.185 0.000 0.772 982 S HN 0.337 nan 8.310 nan 0.000 0.531 983 T N 2.119 116.752 114.554 0.132 0.000 2.983 983 T HA 0.351 4.632 4.350 -0.114 0.000 0.250 983 T C 0.729 175.345 174.700 -0.140 0.000 1.037 983 T CA -0.025 62.106 62.100 0.051 0.000 1.142 983 T CB -0.248 68.655 68.868 0.059 0.000 0.876 983 T HN 0.287 nan 8.240 nan 0.000 0.455 984 L N 2.145 123.263 121.223 -0.176 0.000 2.483 984 L HA 0.128 4.399 4.340 -0.114 0.000 0.277 984 L C -2.151 174.635 176.870 -0.140 0.000 1.248 984 L CA -1.673 53.002 54.840 -0.274 0.000 0.825 984 L CB -0.231 41.626 42.059 -0.337 0.000 1.096 984 L HN -0.002 nan 8.230 nan 0.000 0.512 985 P HA -0.008 nan 4.420 nan 0.000 0.266 985 P C -0.603 176.708 177.300 0.018 0.000 1.195 985 P CA -0.235 62.816 63.100 -0.082 0.000 0.768 985 P CB 0.510 32.155 31.700 -0.091 0.000 0.838 986 S N 2.584 118.241 115.700 -0.072 0.000 2.572 986 S HA -0.004 4.397 4.470 -0.114 0.000 0.267 986 S C 1.395 175.877 174.600 -0.197 0.000 1.361 986 S CA -0.001 58.112 58.200 -0.145 0.000 1.009 986 S CB 0.361 63.454 63.200 -0.178 0.000 0.888 986 S HN 0.561 nan 8.310 nan 0.000 0.553 987 K N 0.662 120.774 120.400 -0.480 0.000 2.103 987 K HA -0.152 4.100 4.320 -0.114 0.000 0.207 987 K C 2.139 178.563 176.600 -0.293 0.000 1.048 987 K CA 1.804 57.700 56.287 -0.652 0.000 0.930 987 K CB -0.754 30.895 32.500 -1.418 0.000 0.716 987 K HN 0.694 nan 8.250 nan 0.000 0.444 988 S N 0.774 116.319 115.700 -0.259 0.000 2.387 988 S HA -0.142 4.260 4.470 -0.114 0.000 0.226 988 S C 2.125 176.650 174.600 -0.126 0.000 1.026 988 S CA 0.688 58.789 58.200 -0.165 0.000 0.972 988 S CB -0.190 62.911 63.200 -0.166 0.000 0.814 988 S HN 0.453 nan 8.310 nan 0.000 0.477 989 Q N 1.057 120.775 119.800 -0.137 0.000 2.084 989 Q HA 0.044 4.316 4.340 -0.114 0.000 0.202 989 Q C 2.629 178.569 176.000 -0.099 0.000 0.978 989 Q CA 1.499 57.224 55.803 -0.130 0.000 0.844 989 Q CB -0.540 28.113 28.738 -0.141 0.000 0.898 989 Q HN 0.784 nan 8.270 nan 0.000 0.426 990 A N 1.017 123.809 122.820 -0.046 0.000 1.902 990 A HA -0.121 4.131 4.320 -0.114 0.000 0.217 990 A C 2.288 179.861 177.584 -0.019 0.000 1.181 990 A CA 1.564 53.607 52.037 0.010 0.000 0.623 990 A CB -0.800 18.327 19.000 0.211 0.000 0.818 990 A HN 0.402 nan 8.150 nan 0.000 0.443 991 A N -0.172 122.644 122.820 -0.007 0.000 1.902 991 A HA -0.176 4.075 4.320 -0.114 0.000 0.217 991 A C 2.111 179.664 177.584 -0.052 0.000 1.181 991 A CA 1.898 53.943 52.037 0.014 0.000 0.623 991 A CB -0.445 18.592 19.000 0.062 0.000 0.818 991 A HN 0.539 nan 8.150 nan 0.000 0.443 992 K N -0.373 119.990 120.400 -0.063 0.000 2.097 992 K HA -0.049 4.203 4.320 -0.114 0.000 0.206 992 K C 2.276 178.792 176.600 -0.139 0.000 1.049 992 K CA 1.059 57.296 56.287 -0.084 0.000 0.933 992 K CB -0.308 32.136 32.500 -0.092 0.000 0.717 992 K HN 0.453 nan 8.250 nan 0.000 0.442 993 A N 1.245 123.968 122.820 -0.162 0.000 1.902 993 A HA -0.155 4.097 4.320 -0.114 0.000 0.217 993 A C 2.096 179.537 177.584 -0.239 0.000 1.181 993 A CA 1.330 53.241 52.037 -0.210 0.000 0.623 993 A CB -0.538 18.334 19.000 -0.214 0.000 0.818 993 A HN 0.176 nan 8.150 nan 0.000 0.443 994 I N -0.230 120.175 120.570 -0.275 0.000 2.226 994 I HA -0.264 3.838 4.170 -0.114 0.000 0.245 994 I C 2.953 178.674 176.117 -0.660 0.000 1.100 994 I CA 1.036 62.068 61.300 -0.447 0.000 1.374 994 I CB -0.281 37.397 38.000 -0.535 0.000 1.057 994 I HN 0.344 nan 8.210 nan 0.000 0.413 995 A N 0.197 122.651 122.820 -0.610 0.000 1.883 995 A HA -0.224 4.027 4.320 -0.114 0.000 0.217 995 A C 2.400 179.931 177.584 -0.088 0.000 1.186 995 A CA 2.539 54.350 52.037 -0.377 0.000 0.624 995 A CB -1.180 17.840 19.000 0.032 0.000 0.822 995 A HN 0.382 nan 8.150 nan 0.000 0.444 996 T N -0.313 114.174 114.554 -0.111 0.000 2.684 996 T HA -0.143 4.139 4.350 -0.114 0.000 0.267 996 T C 1.890 176.552 174.700 -0.064 0.000 1.036 996 T CA 1.665 63.724 62.100 -0.070 0.000 1.148 996 T CB -0.508 68.288 68.868 -0.119 0.000 0.863 996 T HN 0.149 nan 8.240 nan 0.000 0.436 997 V N 0.548 120.394 119.914 -0.114 0.000 2.287 997 V HA -0.203 3.849 4.120 -0.114 0.000 0.248 997 V C 2.016 178.098 176.094 -0.021 0.000 1.053 997 V CA 1.828 64.083 62.300 -0.075 0.000 1.027 997 V CB -0.756 31.029 31.823 -0.063 0.000 0.646 997 V HN 0.503 nan 8.190 nan 0.000 0.447 998 Y N 0.623 120.848 120.300 -0.125 0.000 2.069 998 Y HA -0.308 4.174 4.550 -0.114 0.000 0.278 998 Y C 2.227 178.164 175.900 0.063 0.000 1.175 998 Y CA 2.127 60.230 58.100 0.004 0.000 1.134 998 Y CB -0.352 38.164 38.460 0.094 0.000 0.965 998 Y HN 0.212 nan 8.280 nan 0.000 0.498 999 I N -0.359 120.204 120.570 -0.011 0.000 2.252 999 I HA -0.317 3.784 4.170 -0.114 0.000 0.245 999 I C 2.170 178.276 176.117 -0.019 0.000 1.102 999 I CA 1.284 62.558 61.300 -0.044 0.000 1.385 999 I CB -0.380 37.664 38.000 0.074 0.000 1.064 999 I HN 0.224 nan 8.210 nan 0.000 0.414 1000 L N 0.090 121.308 121.223 -0.008 0.000 2.478 1000 L HA -0.060 4.212 4.340 -0.114 0.000 0.223 1000 L C 1.883 178.695 176.870 -0.098 0.000 1.140 1000 L CA 1.207 56.048 54.840 0.002 0.000 0.842 1000 L CB -0.714 41.340 42.059 -0.007 0.000 0.953 1000 L HN 0.426 nan 8.230 nan 0.000 0.452 1001 T N -4.640 109.841 114.554 -0.121 0.000 3.132 1001 T HA 0.111 4.392 4.350 -0.114 0.000 0.274 1001 T C 0.416 175.065 174.700 -0.086 0.000 1.011 1001 T CA -0.478 61.560 62.100 -0.105 0.000 0.899 1001 T CB 0.185 69.015 68.868 -0.064 0.000 1.089 1001 T HN -0.174 nan 8.240 nan 0.000 0.543 1002 K N 1.960 122.287 120.400 -0.120 0.000 2.316 1002 K HA 0.418 4.669 4.320 -0.114 0.000 0.289 1002 K C -0.994 175.598 176.600 -0.014 0.000 1.070 1002 K CA -1.507 54.695 56.287 -0.143 0.000 0.928 1002 K CB -0.634 31.721 32.500 -0.242 0.000 1.039 1002 K HN 0.304 nan 8.250 nan 0.000 0.480 1003 F N 2.582 122.608 119.950 0.126 0.000 2.495 1003 F HA 0.094 4.552 4.527 -0.115 0.000 0.365 1003 F C 1.394 177.230 175.800 0.060 0.000 1.090 1003 F CA -0.064 57.992 58.000 0.094 0.000 1.235 1003 F CB 1.024 40.065 39.000 0.069 0.000 1.119 1003 F HN 0.477 nan 8.300 nan 0.000 0.562 1004 S N 1.991 117.831 115.700 0.234 0.000 2.585 1004 S HA 0.034 4.435 4.470 -0.114 0.000 0.273 1004 S C 1.154 175.812 174.600 0.097 0.000 1.339 1004 S CA -0.671 57.593 58.200 0.106 0.000 1.028 1004 S CB 0.861 64.075 63.200 0.023 0.000 0.906 1004 S HN 0.644 nan 8.310 nan 0.000 0.528 1005 E N 1.345 121.584 120.200 0.065 0.000 2.204 1005 E HA -0.097 4.185 4.350 -0.114 0.000 0.195 1005 E C 1.130 177.743 176.600 0.021 0.000 0.990 1005 E CA 1.377 57.808 56.400 0.052 0.000 0.821 1005 E CB -0.053 29.672 29.700 0.042 0.000 0.750 1005 E HN 0.755 nan 8.360 nan 0.000 0.477 1006 D N -0.019 120.378 120.400 -0.005 0.000 2.342 1006 D HA -0.030 4.542 4.640 -0.114 0.000 0.221 1006 D C -0.120 176.117 176.300 -0.105 0.000 1.101 1006 D CA -0.178 53.794 54.000 -0.046 0.000 0.837 1006 D CB -0.213 40.557 40.800 -0.049 0.000 0.938 1006 D HN -0.063 nan 8.370 nan 0.000 0.508 1007 E N 1.172 121.302 120.200 -0.117 0.000 2.502 1007 E HA 0.018 4.299 4.350 -0.114 0.000 0.261 1007 E C -0.287 176.048 176.600 -0.441 0.000 0.974 1007 E CA 0.399 56.617 56.400 -0.304 0.000 0.936 1007 E CB 0.476 29.920 29.700 -0.427 0.000 0.926 1007 E HN 0.129 nan 8.360 nan 0.000 0.459 1008 R N 3.556 123.778 120.500 -0.463 0.000 2.445 1008 R HA 0.318 4.590 4.340 -0.114 0.000 0.308 1008 R C -0.788 175.230 176.300 -0.470 0.000 0.961 1008 R CA -0.662 55.215 56.100 -0.372 0.000 0.862 1008 R CB 1.064 31.230 30.300 -0.222 0.000 1.144 1008 R HN 0.532 nan 8.270 nan 0.000 0.447 1009 Y N 0.886 121.116 120.300 -0.118 0.000 2.565 1009 Y HA 0.239 4.722 4.550 -0.112 0.000 0.325 1009 Y C 0.442 176.266 175.900 -0.128 0.000 1.221 1009 Y CA -1.054 56.977 58.100 -0.115 0.000 1.316 1009 Y CB 0.567 38.921 38.460 -0.177 0.000 1.404 1009 Y HN 0.343 nan 8.280 nan 0.000 0.527 1010 L N 2.026 123.302 121.223 0.087 0.000 2.628 1010 L HA 0.215 4.487 4.340 -0.114 0.000 0.274 1010 L C 1.025 177.748 176.870 -0.245 0.000 1.209 1010 L CA 1.512 56.352 54.840 0.001 0.000 0.930 1010 L CB -0.558 41.525 42.059 0.040 0.000 1.183 1010 L HN 0.859 nan 8.230 nan 0.000 0.492 1011 G N 2.924 111.488 108.800 -0.393 0.000 2.179 1011 G HA2 -0.336 3.555 3.960 -0.114 0.000 0.260 1011 G HA3 -0.336 3.555 3.960 -0.114 0.000 0.260 1011 G C 0.455 174.789 174.900 -0.943 0.000 0.977 1011 G CA 0.275 44.824 45.100 -0.918 0.000 0.641 1011 G HN 0.903 nan 8.290 nan 0.000 0.533 1012 N N 0.397 118.778 118.700 -0.530 0.000 2.402 1012 N HA 0.326 4.998 4.740 -0.114 0.000 0.259 1012 N C -0.071 175.323 175.510 -0.193 0.000 1.167 1012 N CA -0.262 52.605 53.050 -0.305 0.000 0.949 1012 N CB -0.095 38.301 38.487 -0.151 0.000 1.212 1012 N HN 0.207 nan 8.380 nan 0.000 0.493 1013 Y N 0.972 121.248 120.300 -0.040 0.000 2.751 1013 Y HA 0.137 4.618 4.550 -0.115 0.000 0.289 1013 Y C 1.909 177.781 175.900 -0.047 0.000 1.110 1013 Y CA -0.686 57.399 58.100 -0.024 0.000 1.251 1013 Y CB -0.547 37.955 38.460 0.070 0.000 1.178 1013 Y HN 0.572 nan 8.280 nan 0.000 0.540 1014 S N -0.677 115.066 115.700 0.073 0.000 2.447 1014 S HA -0.024 4.378 4.470 -0.114 0.000 0.233 1014 S C 1.523 176.123 174.600 0.000 0.000 1.006 1014 S CA 0.777 59.000 58.200 0.040 0.000 0.957 1014 S CB -0.030 63.185 63.200 0.027 0.000 0.773 1014 S HN 0.294 nan 8.310 nan 0.000 0.507 1015 A N 1.770 124.548 122.820 -0.070 0.000 2.827 1015 A HA 0.534 4.785 4.320 -0.114 0.000 0.300 1015 A C 0.642 177.855 177.584 -0.617 0.000 1.237 1015 A CA -0.245 51.682 52.037 -0.183 0.000 0.964 1015 A CB -0.394 18.616 19.000 0.016 0.000 1.143 1015 A HN 0.550 nan 8.150 nan 0.000 0.554 1016 T N -4.129 110.034 114.554 -0.651 0.000 2.948 1016 T HA 0.648 4.930 4.350 -0.114 0.000 0.285 1016 T C 0.562 174.703 174.700 -0.932 0.000 1.019 1016 T CA -0.032 61.678 62.100 -0.649 0.000 1.013 1016 T CB 1.881 70.603 68.868 -0.244 0.000 1.117 1016 T HN 0.600 nan 8.240 nan 0.000 0.533 1017 A N -0.050 122.367 122.820 -0.672 0.000 2.507 1017 A HA 0.366 4.617 4.320 -0.114 0.000 0.270 1017 A C -0.133 177.324 177.584 -0.212 0.000 1.318 1017 A CA -1.052 50.782 52.037 -0.338 0.000 0.924 1017 A CB -0.759 18.160 19.000 -0.135 0.000 1.061 1017 A HN 0.792 nan 8.150 nan 0.000 0.516 1018 W N 0.402 121.647 121.300 -0.093 0.000 2.216 1018 W HA 0.311 4.905 4.660 -0.111 0.000 0.326 1018 W C 0.934 177.468 176.519 0.025 0.000 1.319 1018 W CA -0.367 56.965 57.345 -0.022 0.000 1.213 1018 W CB 0.750 30.203 29.460 -0.011 0.000 1.171 1018 W HN 0.293 nan 8.180 nan 0.000 0.557 1019 E N 0.775 121.162 120.200 0.312 0.000 2.441 1019 E HA -0.073 4.208 4.350 -0.114 0.000 0.212 1019 E C 0.022 176.729 176.600 0.178 0.000 0.840 1019 E CA 0.137 56.653 56.400 0.193 0.000 1.143 1019 E CB -0.092 29.678 29.700 0.116 0.000 1.153 1019 E HN 0.485 nan 8.360 nan 0.000 0.539 1020 D N 2.050 122.600 120.400 0.249 0.000 2.450 1020 D HA -0.044 4.527 4.640 -0.114 0.000 0.247 1020 D C 0.903 177.249 176.300 0.077 0.000 1.162 1020 D CA 0.225 54.323 54.000 0.163 0.000 0.879 1020 D CB 1.176 42.127 40.800 0.251 0.000 1.163 1020 D HN -0.257 nan 8.370 nan 0.000 0.472 1021 K N 3.044 123.457 120.400 0.023 0.000 2.097 1021 K HA -0.112 4.139 4.320 -0.114 0.000 0.206 1021 K C 1.358 177.938 176.600 -0.034 0.000 1.049 1021 K CA 1.361 57.648 56.287 -0.001 0.000 0.933 1021 K CB -0.220 32.274 32.500 -0.011 0.000 0.717 1021 K HN 0.587 nan 8.250 nan 0.000 0.442 1022 D N 0.250 120.607 120.400 -0.072 0.000 2.144 1022 D HA -0.030 4.542 4.640 -0.114 0.000 0.200 1022 D C 1.981 178.204 176.300 -0.128 0.000 0.978 1022 D CA 1.429 55.363 54.000 -0.109 0.000 0.833 1022 D CB -0.353 40.348 40.800 -0.165 0.000 0.961 1022 D HN 0.357 nan 8.370 nan 0.000 0.470 1023 A N 1.095 123.825 122.820 -0.149 0.000 1.902 1023 A HA -0.115 4.137 4.320 -0.114 0.000 0.217 1023 A C 2.422 179.865 177.584 -0.234 0.000 1.181 1023 A CA 0.826 52.697 52.037 -0.277 0.000 0.623 1023 A CB -0.792 17.976 19.000 -0.387 0.000 0.818 1023 A HN 0.182 nan 8.150 nan 0.000 0.443 1024 L N -0.463 120.694 121.223 -0.110 0.000 2.079 1024 L HA -0.215 4.056 4.340 -0.114 0.000 0.210 1024 L C 2.086 178.947 176.870 -0.014 0.000 1.081 1024 L CA 1.480 56.298 54.840 -0.038 0.000 0.752 1024 L CB -0.780 41.292 42.059 0.021 0.000 0.896 1024 L HN 0.311 nan 8.230 nan 0.000 0.433 1025 D N 0.311 120.698 120.400 -0.021 0.000 2.117 1025 D HA -0.145 4.426 4.640 -0.114 0.000 0.197 1025 D C 2.263 178.577 176.300 0.024 0.000 0.987 1025 D CA 1.557 55.554 54.000 -0.004 0.000 0.829 1025 D CB -0.004 40.785 40.800 -0.019 0.000 0.961 1025 D HN 0.306 nan 8.370 nan 0.000 0.460 1026 A N 0.746 123.582 122.820 0.026 0.000 1.902 1026 A HA -0.145 4.107 4.320 -0.114 0.000 0.217 1026 A C 2.392 180.134 177.584 0.264 0.000 1.181 1026 A CA 0.889 53.005 52.037 0.131 0.000 0.623 1026 A CB -0.713 18.323 19.000 0.061 0.000 0.818 1026 A HN 0.200 nan 8.150 nan 0.000 0.443 1027 I N 0.147 120.832 120.570 0.193 0.000 2.163 1027 I HA -0.303 3.799 4.170 -0.114 0.000 0.243 1027 I C 2.176 178.318 176.117 0.043 0.000 1.085 1027 I CA 1.316 62.671 61.300 0.092 0.000 1.347 1027 I CB -0.550 37.512 38.000 0.103 0.000 1.044 1027 I HN 0.306 nan 8.210 nan 0.000 0.408 1028 N N 1.066 119.787 118.700 0.035 0.000 2.061 1028 N HA -0.200 4.471 4.740 -0.114 0.000 0.193 1028 N C 1.909 177.424 175.510 0.008 0.000 1.030 1028 N CA 1.490 54.544 53.050 0.007 0.000 0.856 1028 N CB -0.419 38.073 38.487 0.008 0.000 1.023 1028 N HN 0.373 nan 8.380 nan 0.000 0.424 1029 R N -0.505 120.027 120.500 0.053 0.000 2.075 1029 R HA -0.062 4.210 4.340 -0.114 0.000 0.232 1029 R C 2.044 178.403 176.300 0.098 0.000 1.126 1029 R CA 0.789 56.930 56.100 0.068 0.000 0.963 1029 R CB -0.485 29.870 30.300 0.091 0.000 0.858 1029 R HN 0.194 nan 8.270 nan 0.000 0.435 1030 F N 2.392 122.289 119.950 -0.088 0.000 2.095 1030 F HA -0.212 4.247 4.527 -0.115 0.000 0.298 1030 F C 2.104 177.794 175.800 -0.183 0.000 1.104 1030 F CA 1.637 59.532 58.000 -0.175 0.000 1.232 1030 F CB -0.426 38.256 39.000 -0.529 0.000 0.987 1030 F HN -0.042 nan 8.300 nan 0.000 0.475 1031 Q N -0.220 119.396 119.800 -0.306 0.000 2.084 1031 Q HA -0.203 4.069 4.340 -0.114 0.000 0.202 1031 Q C 1.850 177.699 176.000 -0.251 0.000 0.978 1031 Q CA 1.727 57.293 55.803 -0.394 0.000 0.844 1031 Q CB -0.294 28.286 28.738 -0.264 0.000 0.898 1031 Q HN 0.385 nan 8.270 nan 0.000 0.426 1032 D N 0.404 120.721 120.400 -0.138 0.000 2.144 1032 D HA -0.141 4.430 4.640 -0.114 0.000 0.200 1032 D C 1.692 177.943 176.300 -0.081 0.000 0.978 1032 D CA 1.057 55.003 54.000 -0.090 0.000 0.833 1032 D CB -0.058 40.715 40.800 -0.044 0.000 0.961 1032 D HN -0.006 nan 8.370 nan 0.000 0.470 1033 K N 0.693 121.054 120.400 -0.066 0.000 2.057 1033 K HA -0.021 4.231 4.320 -0.114 0.000 0.207 1033 K C 2.075 178.625 176.600 -0.084 0.000 1.049 1033 K CA 0.722 56.989 56.287 -0.033 0.000 0.931 1033 K CB -0.396 32.134 32.500 0.050 0.000 0.714 1033 K HN 0.115 nan 8.250 nan 0.000 0.440 1034 L N 0.270 121.372 121.223 -0.203 0.000 2.093 1034 L HA -0.135 4.137 4.340 -0.114 0.000 0.208 1034 L C 2.508 179.287 176.870 -0.152 0.000 1.085 1034 L CA 1.615 56.322 54.840 -0.222 0.000 0.755 1034 L CB -0.452 41.359 42.059 -0.413 0.000 0.904 1034 L HN 0.382 nan 8.230 nan 0.000 0.435 1035 E N 0.378 120.488 120.200 -0.150 0.000 2.077 1035 E HA -0.249 4.033 4.350 -0.114 0.000 0.193 1035 E C 1.637 178.193 176.600 -0.073 0.000 0.989 1035 E CA 1.533 57.867 56.400 -0.110 0.000 0.800 1035 E CB 0.142 29.780 29.700 -0.103 0.000 0.746 1035 E HN 0.393 nan 8.360 nan 0.000 0.452 1036 D N 0.403 120.768 120.400 -0.058 0.000 2.117 1036 D HA -0.155 4.416 4.640 -0.114 0.000 0.197 1036 D C 2.042 178.329 176.300 -0.022 0.000 0.987 1036 D CA 1.032 55.013 54.000 -0.032 0.000 0.829 1036 D CB -0.204 40.585 40.800 -0.017 0.000 0.961 1036 D HN 0.321 nan 8.370 nan 0.000 0.460 1037 I N 0.507 121.064 120.570 -0.021 0.000 2.179 1037 I HA -0.278 3.823 4.170 -0.114 0.000 0.242 1037 I C 2.560 178.671 176.117 -0.010 0.000 1.088 1037 I CA 0.909 62.208 61.300 -0.001 0.000 1.357 1037 I CB -0.256 37.751 38.000 0.011 0.000 1.051 1037 I HN -0.043 nan 8.210 nan 0.000 0.409 1038 S N 0.928 116.605 115.700 -0.038 0.000 2.359 1038 S HA -0.312 4.089 4.470 -0.114 0.000 0.223 1038 S C 2.465 177.042 174.600 -0.040 0.000 1.039 1038 S CA 2.546 60.717 58.200 -0.048 0.000 1.042 1038 S CB -0.361 62.791 63.200 -0.079 0.000 0.915 1038 S HN 0.425 nan 8.310 nan 0.000 0.439 1039 K N 1.141 121.517 120.400 -0.039 0.000 2.063 1039 K HA -0.079 4.172 4.320 -0.114 0.000 0.208 1039 K C 2.037 178.625 176.600 -0.019 0.000 1.048 1039 K CA 1.900 58.168 56.287 -0.032 0.000 0.928 1039 K CB -1.031 31.451 32.500 -0.030 0.000 0.713 1039 K HN 0.689 nan 8.250 nan 0.000 0.442 1040 K N -0.257 120.137 120.400 -0.009 0.000 2.057 1040 K HA 0.009 4.261 4.320 -0.114 0.000 0.207 1040 K C 2.253 178.858 176.600 0.008 0.000 1.049 1040 K CA 1.572 57.861 56.287 0.005 0.000 0.931 1040 K CB -0.404 32.105 32.500 0.015 0.000 0.714 1040 K HN 0.415 nan 8.250 nan 0.000 0.440 1041 I N 1.365 121.941 120.570 0.010 0.000 2.179 1041 I HA -0.302 3.799 4.170 -0.114 0.000 0.242 1041 I C 2.158 178.266 176.117 -0.015 0.000 1.088 1041 I CA 1.412 62.721 61.300 0.014 0.000 1.357 1041 I CB -0.212 37.805 38.000 0.028 0.000 1.051 1041 I HN 0.126 nan 8.210 nan 0.000 0.409 1042 K N 0.483 120.867 120.400 -0.027 0.000 2.057 1042 K HA -0.219 4.033 4.320 -0.114 0.000 0.207 1042 K C 2.175 178.756 176.600 -0.032 0.000 1.049 1042 K CA 1.439 57.703 56.287 -0.039 0.000 0.931 1042 K CB -0.202 32.271 32.500 -0.045 0.000 0.714 1042 K HN 0.410 nan 8.250 nan 0.000 0.440 1043 Q N 0.248 120.035 119.800 -0.022 0.000 2.084 1043 Q HA -0.131 4.141 4.340 -0.114 0.000 0.202 1043 Q C 2.276 178.267 176.000 -0.014 0.000 0.978 1043 Q CA 0.943 56.738 55.803 -0.015 0.000 0.844 1043 Q CB -0.090 28.644 28.738 -0.007 0.000 0.898 1043 Q HN 0.163 nan 8.270 nan 0.000 0.426 1044 R N 1.083 121.575 120.500 -0.013 0.000 2.083 1044 R HA -0.141 4.130 4.340 -0.114 0.000 0.237 1044 R C 1.472 177.734 176.300 -0.064 0.000 1.137 1044 R CA 1.474 57.561 56.100 -0.023 0.000 0.951 1044 R CB -0.347 29.945 30.300 -0.013 0.000 0.851 1044 R HN 0.305 nan 8.270 nan 0.000 0.434 1045 N N 1.325 119.982 118.700 -0.073 0.000 2.309 1045 N HA -0.162 4.509 4.740 -0.114 0.000 0.182 1045 N C 1.498 176.972 175.510 -0.059 0.000 1.018 1045 N CA 1.371 54.368 53.050 -0.090 0.000 0.876 1045 N CB -0.178 38.261 38.487 -0.080 0.000 0.972 1045 N HN 0.570 nan 8.380 nan 0.000 0.434 1046 E N -0.067 120.109 120.200 -0.040 0.000 2.338 1046 E HA -0.059 4.223 4.350 -0.114 0.000 0.197 1046 E C 0.382 176.973 176.600 -0.015 0.000 1.007 1046 E CA 0.750 57.134 56.400 -0.027 0.000 0.849 1046 E CB -0.138 29.548 29.700 -0.022 0.000 0.774 1046 E HN 0.200 nan 8.360 nan 0.000 0.506 1047 N N 0.671 119.363 118.700 -0.013 0.000 2.322 1047 N HA 0.166 4.838 4.740 -0.114 0.000 0.194 1047 N C -0.129 175.390 175.510 0.015 0.000 1.126 1047 N CA 0.236 53.290 53.050 0.007 0.000 0.845 1047 N CB 0.626 39.124 38.487 0.018 0.000 0.976 1047 N HN 0.218 nan 8.380 nan 0.000 0.475 1048 L N 0.531 121.749 121.223 -0.008 0.000 2.334 1048 L HA 0.251 4.523 4.340 -0.114 0.000 0.275 1048 L C 1.448 178.339 176.870 0.035 0.000 1.036 1048 L CA -0.505 54.343 54.840 0.013 0.000 0.807 1048 L CB 1.737 43.759 42.059 -0.062 0.000 1.231 1048 L HN -0.086 nan 8.230 nan 0.000 0.438 1049 E N 0.994 121.249 120.200 0.093 0.000 2.072 1049 E HA -0.078 4.203 4.350 -0.114 0.000 0.191 1049 E C -0.263 176.319 176.600 -0.030 0.000 0.985 1049 E CA 1.027 57.468 56.400 0.069 0.000 0.801 1049 E CB 0.248 30.071 29.700 0.206 0.000 0.750 1049 E HN 0.277 nan 8.360 nan 0.000 0.452 1050 V N 2.758 122.672 119.914 0.000 0.000 2.340 1050 V HA 0.213 4.264 4.120 -0.114 0.000 0.277 1050 V C -2.428 173.699 176.094 0.055 0.000 1.017 1050 V CA -1.764 60.509 62.300 -0.045 0.000 0.820 1050 V CB 1.019 32.746 31.823 -0.162 0.000 1.028 1050 V HN 0.008 nan 8.190 nan 0.000 0.436 1051 P HA -0.033 nan 4.420 nan 0.000 0.266 1051 P C -1.044 176.244 177.300 -0.020 0.000 1.186 1051 P CA 0.288 63.362 63.100 -0.045 0.000 0.767 1051 P CB 0.231 31.885 31.700 -0.076 0.000 0.820 1052 Y N 4.161 124.353 120.300 -0.181 0.000 2.402 1052 Y HA 0.378 4.860 4.550 -0.114 0.000 0.332 1052 Y C 0.900 176.643 175.900 -0.262 0.000 0.960 1052 Y CA -0.336 57.638 58.100 -0.210 0.000 1.228 1052 Y CB 0.272 38.732 38.460 -0.000 0.000 1.120 1052 Y HN 0.297 nan 8.280 nan 0.000 0.491 1053 I N 1.406 121.503 120.570 -0.789 0.000 4.139 1053 I HA 0.114 4.216 4.170 -0.114 0.000 0.335 1053 I C 0.198 176.059 176.117 -0.426 0.000 1.327 1053 I CA -0.039 60.977 61.300 -0.473 0.000 1.112 1053 I CB -0.070 37.744 38.000 -0.310 0.000 1.058 1053 I HN 0.494 nan 8.210 nan 0.000 0.396 1054 Y N 1.500 121.536 120.300 -0.441 0.000 2.421 1054 Y HA 0.116 4.598 4.550 -0.114 0.000 0.292 1054 Y C 1.732 177.599 175.900 -0.054 0.000 1.136 1054 Y CA 0.486 58.459 58.100 -0.213 0.000 1.255 1054 Y CB -0.087 38.239 38.460 -0.223 0.000 0.991 1054 Y HN 0.193 nan 8.280 nan 0.000 0.552 1055 L N 0.585 121.840 121.223 0.053 0.000 2.872 1055 L HA 0.205 4.476 4.340 -0.114 0.000 0.245 1055 L C -0.297 176.628 176.870 0.091 0.000 1.211 1055 L CA -0.185 54.757 54.840 0.169 0.000 1.013 1055 L CB 0.072 42.319 42.059 0.314 0.000 1.326 1055 L HN 0.149 nan 8.230 nan 0.000 0.525 1056 L N 1.648 122.877 121.223 0.010 0.000 2.462 1056 L HA 0.066 4.338 4.340 -0.114 0.000 0.272 1056 L C -1.022 175.818 176.870 -0.049 0.000 1.166 1056 L CA -1.305 53.513 54.840 -0.037 0.000 0.880 1056 L CB 0.718 42.720 42.059 -0.096 0.000 1.142 1056 L HN -0.102 nan 8.230 nan 0.000 0.473 1057 P HA -0.243 nan 4.420 nan 0.000 0.217 1057 P C 1.138 178.368 177.300 -0.116 0.000 1.148 1057 P CA 1.255 64.315 63.100 -0.067 0.000 0.834 1057 P CB 0.089 31.721 31.700 -0.115 0.000 0.783 1058 E N -0.353 119.721 120.200 -0.210 0.000 2.478 1058 E HA -0.125 4.157 4.350 -0.114 0.000 0.198 1058 E C 1.409 177.546 176.600 -0.772 0.000 1.046 1058 E CA 0.648 56.809 56.400 -0.397 0.000 0.870 1058 E CB -0.297 29.194 29.700 -0.349 0.000 0.818 1058 E HN 0.291 nan 8.360 nan 0.000 0.527 1059 R N 0.387 120.601 120.500 -0.476 0.000 2.437 1059 R HA 0.360 4.632 4.340 -0.114 0.000 0.257 1059 R C 0.221 176.478 176.300 -0.071 0.000 0.927 1059 R CA -0.130 55.682 56.100 -0.480 0.000 1.078 1059 R CB 0.750 30.918 30.300 -0.221 0.000 1.161 1059 R HN 0.149 nan 8.270 nan 0.000 0.529 1060 I N 3.254 123.898 120.570 0.123 0.000 2.307 1060 I HA 0.255 4.357 4.170 -0.114 0.000 0.289 1060 I C -2.363 173.985 176.117 0.385 0.000 1.021 1060 I CA -2.530 58.939 61.300 0.281 0.000 1.224 1060 I CB 1.434 39.551 38.000 0.195 0.000 1.376 1060 I HN -0.338 nan 8.210 nan 0.000 0.470 1061 P HA 0.074 nan 4.420 nan 0.000 0.269 1061 P C 0.313 177.742 177.300 0.216 0.000 1.209 1061 P CA -0.111 63.085 63.100 0.160 0.000 0.776 1061 P CB 0.578 32.457 31.700 0.299 0.000 0.876 1062 N N 0.643 119.413 118.700 0.118 0.000 2.205 1062 N HA -0.092 4.579 4.740 -0.114 0.000 0.186 1062 N C 1.132 176.851 175.510 0.350 0.000 1.015 1062 N CA 1.434 54.617 53.050 0.223 0.000 0.862 1062 N CB -0.249 38.233 38.487 -0.009 0.000 0.986 1062 N HN 0.542 nan 8.380 nan 0.000 0.429 1063 G N -1.720 107.231 108.800 0.252 0.000 3.211 1063 G HA2 0.428 4.319 3.960 -0.114 0.000 0.262 1063 G HA3 0.428 4.319 3.960 -0.114 0.000 0.262 1063 G C -1.148 173.880 174.900 0.213 0.000 1.352 1063 G CA -0.275 44.958 45.100 0.220 0.000 1.004 1063 G HN -0.046 nan 8.290 nan 0.000 0.559 1064 T N 0.762 115.363 114.554 0.077 0.000 2.947 1064 T HA 0.535 4.817 4.350 -0.114 0.000 0.337 1064 T C 0.522 175.126 174.700 -0.160 0.000 1.139 1064 T CA 0.390 62.334 62.100 -0.260 0.000 0.992 1064 T CB 0.957 69.606 68.868 -0.365 0.000 1.043 1064 T HN 0.806 nan 8.240 nan 0.000 0.498 1065 A N 3.303 126.137 122.820 0.023 0.000 2.585 1065 A HA 0.666 4.918 4.320 -0.114 0.000 0.266 1065 A C 0.103 177.876 177.584 0.316 0.000 1.178 1065 A CA -0.055 52.086 52.037 0.174 0.000 0.966 1065 A CB 0.292 19.409 19.000 0.196 0.000 1.170 1065 A HN 0.602 nan 8.150 nan 0.000 0.558 1066 I N 0.000 120.768 120.570 0.330 0.000 2.984 1066 I HA 0.000 4.102 4.170 -0.114 0.000 0.288 1066 I CA 0.000 61.518 61.300 0.364 0.000 1.566 1066 I CB 0.000 38.186 38.000 0.309 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494