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 3fg4_1_D 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 LEDIGYXXXX XXXXXXADIR YCAAPLALFY VNKLGHLMPI AIQINQEPGP DATA SEQUENCE ENPIWTPHEE NEHDWMMAKF WLGVAESNFH QLNTHLLRTH LTTESFALST DATA SEQUENCE WRNLASAHPI FKLLQPHIYG VLAIDTIGRK ELXXXGGIVD 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 0.000 175.242 175.328 -0.144 0.000 0.993 373 H CA 0.000 55.985 56.048 -0.105 0.000 1.023 373 H CB 0.000 29.738 29.762 -0.041 0.000 1.292 374 A N 1.151 123.853 122.820 -0.198 0.000 2.288 374 A HA 0.871 5.193 4.320 0.003 0.000 0.328 374 A C -0.324 176.999 177.584 -0.435 0.000 1.123 374 A CA -0.521 51.298 52.037 -0.364 0.000 0.861 374 A CB 0.855 19.518 19.000 -0.560 0.000 1.272 374 A HN 0.904 nan 8.150 nan 0.000 0.490 375 I N 0.894 121.216 120.570 -0.413 0.000 2.382 375 I HA 0.259 4.431 4.170 0.003 0.000 0.285 375 I C -1.501 174.462 176.117 -0.257 0.000 1.007 375 I CA -0.119 61.033 61.300 -0.246 0.000 1.142 375 I CB 1.070 39.015 38.000 -0.092 0.000 1.289 375 I HN 0.589 nan 8.210 nan 0.000 0.453 376 Y N 5.116 125.460 120.300 0.074 0.000 2.367 376 Y HA 0.278 4.830 4.550 0.003 0.000 0.342 376 Y C 0.505 176.470 175.900 0.108 0.000 0.979 376 Y CA -0.849 57.305 58.100 0.091 0.000 1.161 376 Y CB 0.568 39.076 38.460 0.081 0.000 1.155 376 Y HN 0.453 nan 8.280 nan 0.000 0.503 377 N N 3.788 122.636 118.700 0.247 0.000 2.399 377 N HA 0.122 4.864 4.740 0.003 0.000 0.259 377 N C -0.965 174.687 175.510 0.236 0.000 1.160 377 N CA -0.006 53.167 53.050 0.206 0.000 0.946 377 N CB 1.266 39.843 38.487 0.151 0.000 1.156 377 N HN 0.284 nan 8.380 nan 0.000 0.489 378 V N 2.042 122.108 119.914 0.253 0.000 2.383 378 V HA 0.215 4.337 4.120 0.003 0.000 0.275 378 V C 0.533 176.804 176.094 0.295 0.000 1.036 378 V CA -0.587 61.868 62.300 0.258 0.000 0.889 378 V CB 1.442 33.411 31.823 0.244 0.000 0.985 378 V HN 0.512 nan 8.190 nan 0.000 0.459 379 E N 3.895 124.239 120.200 0.240 0.000 2.129 379 E HA 0.546 4.898 4.350 0.003 0.000 0.268 379 E C -1.508 175.226 176.600 0.224 0.000 0.900 379 E CA -0.459 56.078 56.400 0.229 0.000 0.755 379 E CB 1.996 31.791 29.700 0.158 0.000 1.117 379 E HN 0.526 nan 8.360 nan 0.000 0.410 380 V N 4.334 124.433 119.914 0.309 0.000 2.435 380 V HA 0.271 4.392 4.120 0.003 0.000 0.290 380 V C -0.298 175.906 176.094 0.184 0.000 1.030 380 V CA -0.731 61.706 62.300 0.228 0.000 0.881 380 V CB 1.532 33.554 31.823 0.332 0.000 0.983 380 V HN 0.650 nan 8.190 nan 0.000 0.445 381 E N 2.535 122.754 120.200 0.032 0.000 2.113 381 E HA 0.434 4.785 4.350 0.003 0.000 0.273 381 E C -0.712 175.836 176.600 -0.086 0.000 0.924 381 E CA -0.485 55.919 56.400 0.007 0.000 0.764 381 E CB 1.579 31.262 29.700 -0.029 0.000 1.104 381 E HN 0.600 nan 8.360 nan 0.000 0.406 382 T N 2.087 116.660 114.554 0.030 0.000 2.799 382 T HA 0.341 4.693 4.350 0.003 0.000 0.286 382 T C 0.550 175.260 174.700 0.017 0.000 0.973 382 T CA -0.649 61.461 62.100 0.017 0.000 1.035 382 T CB 1.325 70.357 68.868 0.274 0.000 0.932 382 T HN 0.570 nan 8.240 nan 0.000 0.469 383 G N 1.087 109.897 108.800 0.016 0.000 2.664 383 G HA2 0.065 4.027 3.960 0.003 0.000 0.242 383 G HA3 0.065 4.027 3.960 0.003 0.000 0.242 383 G C 0.602 175.502 174.900 0.000 0.000 1.225 383 G CA -0.369 44.758 45.100 0.045 0.000 0.849 383 G HN 0.748 nan 8.290 nan 0.000 0.581 384 D N -0.463 119.920 120.400 -0.028 0.000 2.323 384 D HA -0.034 4.608 4.640 0.003 0.000 0.209 384 D C 1.409 177.679 176.300 -0.050 0.000 0.973 384 D CA 0.115 54.103 54.000 -0.020 0.000 0.874 384 D CB 0.270 41.066 40.800 -0.007 0.000 0.930 384 D HN 0.515 nan 8.370 nan 0.000 0.521 385 R N 1.774 122.195 120.500 -0.132 0.000 2.734 385 R HA 0.094 4.435 4.340 0.003 0.000 0.266 385 R C 0.331 176.627 176.300 -0.007 0.000 1.044 385 R CA -0.300 55.735 56.100 -0.108 0.000 1.128 385 R CB 0.565 30.723 30.300 -0.237 0.000 1.010 385 R HN -0.097 nan 8.270 nan 0.000 0.461 386 E N 1.456 121.668 120.200 0.019 0.000 2.568 386 E HA -0.228 4.124 4.350 0.003 0.000 0.262 386 E C -0.400 176.298 176.600 0.162 0.000 0.961 386 E CA 0.457 56.855 56.400 -0.003 0.000 0.945 386 E CB 0.184 29.860 29.700 -0.041 0.000 0.924 386 E HN 0.804 nan 8.360 nan 0.000 0.467 387 H N 0.492 119.684 119.070 0.204 0.000 3.395 387 H HA -0.253 4.305 4.556 0.003 0.000 0.222 387 H C 1.049 176.648 175.328 0.452 0.000 1.099 387 H CA 0.849 57.069 56.048 0.286 0.000 1.182 387 H CB -1.819 28.093 29.762 0.249 0.000 1.188 387 H HN 0.577 nan 8.280 nan 0.000 0.317 388 A N 0.846 123.903 122.820 0.395 0.000 1.978 388 A HA 0.056 4.377 4.320 0.003 0.000 0.220 388 A C 2.009 179.833 177.584 0.400 0.000 1.170 388 A CA 1.487 53.676 52.037 0.253 0.000 0.636 388 A CB -0.504 18.529 19.000 0.056 0.000 0.810 388 A HN 0.536 nan 8.150 nan 0.000 0.448 389 G N -1.917 107.098 108.800 0.359 0.000 2.634 389 G HA2 0.439 4.401 3.960 0.003 0.000 0.255 389 G HA3 0.439 4.401 3.960 0.003 0.000 0.255 389 G C -0.218 174.853 174.900 0.287 0.000 1.205 389 G CA 0.654 45.954 45.100 0.332 0.000 0.884 389 G HN 0.377 nan 8.290 nan 0.000 0.549 390 T N -1.667 112.952 114.554 0.109 0.000 2.883 390 T HA 0.426 4.778 4.350 0.003 0.000 0.301 390 T C -0.510 174.193 174.700 0.005 0.000 1.158 390 T CA -0.235 61.867 62.100 0.004 0.000 1.007 390 T CB 1.825 70.551 68.868 -0.236 0.000 1.186 390 T HN 0.553 nan 8.240 nan 0.000 0.499 391 D N 1.289 121.695 120.400 0.011 0.000 2.479 391 D HA 0.365 5.006 4.640 0.003 0.000 0.218 391 D C 0.784 177.071 176.300 -0.022 0.000 1.177 391 D CA -0.289 53.715 54.000 0.005 0.000 0.830 391 D CB -0.111 40.708 40.800 0.032 0.000 1.014 391 D HN 0.636 nan 8.370 nan 0.000 0.503 392 A N 0.324 123.107 122.820 -0.061 0.000 2.492 392 A HA 0.392 4.714 4.320 0.003 0.000 0.236 392 A C 0.563 178.090 177.584 -0.095 0.000 1.078 392 A CA 0.045 52.035 52.037 -0.078 0.000 0.773 392 A CB -0.059 18.881 19.000 -0.101 0.000 1.023 392 A HN 0.175 nan 8.150 nan 0.000 0.504 393 T N 2.947 117.458 114.554 -0.072 0.000 2.779 393 T HA 0.393 4.745 4.350 0.003 0.000 0.296 393 T C 0.089 174.740 174.700 -0.083 0.000 0.938 393 T CA 0.158 62.223 62.100 -0.058 0.000 1.119 393 T CB -0.169 68.684 68.868 -0.025 0.000 0.891 393 T HN 0.336 nan 8.240 nan 0.000 0.526 394 I N 4.545 125.068 120.570 -0.079 0.000 2.377 394 I HA 0.377 4.549 4.170 0.003 0.000 0.293 394 I C 0.938 177.059 176.117 0.006 0.000 0.987 394 I CA -0.704 60.553 61.300 -0.072 0.000 1.185 394 I CB 1.152 39.050 38.000 -0.171 0.000 1.341 394 I HN 0.655 nan 8.210 nan 0.000 0.455 395 T N 4.422 119.027 114.554 0.084 0.000 2.924 395 T HA 0.779 5.131 4.350 0.003 0.000 0.291 395 T C -0.374 174.468 174.700 0.236 0.000 1.045 395 T CA -0.785 61.412 62.100 0.161 0.000 1.015 395 T CB 2.737 71.740 68.868 0.225 0.000 1.103 395 T HN 0.492 nan 8.240 nan 0.000 0.496 396 I N 0.631 121.310 120.570 0.183 0.000 2.533 396 I HA 0.593 4.765 4.170 0.003 0.000 0.290 396 I C -0.753 175.302 176.117 -0.103 0.000 1.056 396 I CA -1.201 60.136 61.300 0.062 0.000 1.057 396 I CB 1.873 39.843 38.000 -0.050 0.000 1.240 396 I HN 0.700 nan 8.210 nan 0.000 0.423 397 R N 7.906 128.215 120.500 -0.317 0.000 2.387 397 R HA 0.643 4.984 4.340 0.003 0.000 0.314 397 R C -1.500 174.557 176.300 -0.405 0.000 0.958 397 R CA -0.565 55.194 56.100 -0.567 0.000 0.846 397 R CB 1.270 30.886 30.300 -1.141 0.000 1.147 397 R HN 0.621 nan 8.270 nan 0.000 0.447 398 I N 3.286 123.628 120.570 -0.380 0.000 2.354 398 I HA 0.299 4.471 4.170 0.003 0.000 0.292 398 I C -0.351 175.615 176.117 -0.252 0.000 0.989 398 I CA -0.613 60.470 61.300 -0.361 0.000 1.188 398 I CB 2.227 39.903 38.000 -0.540 0.000 1.342 398 I HN 0.538 nan 8.210 nan 0.000 0.457 399 T N 4.404 118.848 114.554 -0.184 0.000 2.812 399 T HA 0.676 5.028 4.350 0.003 0.000 0.282 399 T C 0.091 174.758 174.700 -0.056 0.000 0.990 399 T CA -0.593 61.442 62.100 -0.110 0.000 0.960 399 T CB 1.868 70.684 68.868 -0.088 0.000 0.948 399 T HN 0.887 nan 8.240 nan 0.000 0.438 400 G N 0.518 109.307 108.800 -0.018 0.000 2.975 400 G HA2 0.640 4.602 3.960 0.003 0.000 0.291 400 G HA3 0.640 4.602 3.960 0.003 0.000 0.291 400 G C 0.975 175.900 174.900 0.041 0.000 1.334 400 G CA -0.112 44.995 45.100 0.012 0.000 0.843 400 G HN 0.686 nan 8.290 nan 0.000 0.548 401 A N -0.449 122.406 122.820 0.058 0.000 1.958 401 A HA -0.058 4.264 4.320 0.003 0.000 0.221 401 A C 1.903 179.535 177.584 0.081 0.000 1.178 401 A CA 2.103 54.178 52.037 0.063 0.000 0.642 401 A CB -0.367 18.673 19.000 0.068 0.000 0.816 401 A HN 0.497 nan 8.150 nan 0.000 0.453 402 K N -1.493 118.989 120.400 0.136 0.000 2.358 402 K HA 0.397 4.719 4.320 0.003 0.000 0.197 402 K C 0.730 177.469 176.600 0.231 0.000 1.025 402 K CA 0.435 56.846 56.287 0.206 0.000 1.104 402 K CB 0.470 33.131 32.500 0.268 0.000 0.855 402 K HN 0.580 nan 8.250 nan 0.000 0.531 403 G N 2.103 110.947 108.800 0.072 0.000 2.302 403 G HA2 -0.025 3.937 3.960 0.003 0.000 0.264 403 G HA3 -0.025 3.937 3.960 0.003 0.000 0.264 403 G C -1.816 172.947 174.900 -0.228 0.000 1.335 403 G CA -1.051 43.930 45.100 -0.200 0.000 0.982 403 G HN 0.221 nan 8.290 nan 0.000 0.473 404 R N -1.212 119.028 120.500 -0.432 0.000 2.740 404 R HA 0.765 5.107 4.340 0.003 0.000 0.273 404 R C 0.128 176.256 176.300 -0.286 0.000 0.998 404 R CA -0.040 55.893 56.100 -0.279 0.000 0.900 404 R CB 1.453 31.617 30.300 -0.227 0.000 1.223 404 R HN 1.152 nan 8.270 nan 0.000 0.466 405 T N -0.889 113.563 114.554 -0.170 0.000 2.828 405 T HA 0.096 4.448 4.350 0.003 0.000 0.290 405 T C 0.272 174.871 174.700 -0.168 0.000 1.019 405 T CA -0.568 61.473 62.100 -0.098 0.000 1.031 405 T CB 0.820 69.638 68.868 -0.083 0.000 1.001 405 T HN 0.577 nan 8.240 nan 0.000 0.531 406 D N -0.235 120.116 120.400 -0.082 0.000 2.364 406 D HA 0.024 4.666 4.640 0.003 0.000 0.236 406 D C -0.348 175.872 176.300 -0.133 0.000 1.221 406 D CA 0.012 53.972 54.000 -0.067 0.000 0.891 406 D CB 0.131 40.942 40.800 0.018 0.000 1.190 406 D HN 0.604 nan 8.370 nan 0.000 0.449 407 Y N 0.760 121.029 120.300 -0.052 0.000 2.677 407 Y HA 0.045 4.597 4.550 0.003 0.000 0.335 407 Y C 0.288 176.173 175.900 -0.026 0.000 1.162 407 Y CA 0.028 58.097 58.100 -0.052 0.000 1.483 407 Y CB 0.162 38.583 38.460 -0.066 0.000 1.209 407 Y HN 0.039 nan 8.280 nan 0.000 0.528 408 L N 5.076 126.354 121.223 0.091 0.000 2.325 408 L HA 0.411 4.752 4.340 0.003 0.000 0.279 408 L C 0.041 176.954 176.870 0.071 0.000 1.054 408 L CA -1.198 53.684 54.840 0.071 0.000 0.804 408 L CB 0.781 42.865 42.059 0.041 0.000 1.200 408 L HN 0.354 nan 8.230 nan 0.000 0.436 409 K N 3.424 123.857 120.400 0.054 0.000 2.276 409 K HA 0.373 4.695 4.320 0.003 0.000 0.283 409 K C -0.537 176.035 176.600 -0.046 0.000 1.044 409 K CA -0.150 56.149 56.287 0.021 0.000 0.944 409 K CB 1.125 33.643 32.500 0.031 0.000 1.012 409 K HN 0.503 nan 8.250 nan 0.000 0.472 410 L N 3.640 124.774 121.223 -0.149 0.000 2.494 410 L HA 0.264 4.606 4.340 0.003 0.000 0.251 410 L C -0.055 176.636 176.870 -0.299 0.000 1.119 410 L CA -0.209 54.340 54.840 -0.486 0.000 1.026 410 L CB 0.389 42.007 42.059 -0.736 0.000 1.370 410 L HN 0.267 nan 8.230 nan 0.000 0.426 411 D N 3.535 123.902 120.400 -0.055 0.000 2.420 411 D HA 0.516 5.157 4.640 0.003 0.000 0.255 411 D C -0.253 176.105 176.300 0.097 0.000 1.185 411 D CA 0.009 54.017 54.000 0.014 0.000 0.904 411 D CB 1.755 42.558 40.800 0.005 0.000 1.102 411 D HN 0.391 nan 8.370 nan 0.000 0.534 412 K N 0.634 121.113 120.400 0.131 0.000 2.301 412 K HA 0.558 4.879 4.320 0.003 0.000 0.365 412 K C -0.025 176.579 176.600 0.007 0.000 1.459 412 K CA -0.229 56.101 56.287 0.072 0.000 1.166 412 K CB 0.265 32.817 32.500 0.087 0.000 1.406 412 K HN 0.792 nan 8.250 nan 0.000 0.475 413 G N 0.677 109.436 108.800 -0.068 0.000 2.592 413 G HA2 0.360 4.321 3.960 0.003 0.000 0.684 413 G HA3 0.360 4.321 3.960 0.003 0.000 0.684 413 G C 0.227 175.010 174.900 -0.194 0.000 1.291 413 G CA 0.486 45.510 45.100 -0.126 0.000 0.891 413 G HN 2.126 nan 8.290 nan 0.000 0.544 419 E N 1.461 121.817 120.200 0.261 0.000 2.314 419 E HA 0.592 4.944 4.350 0.003 0.000 0.262 419 E C 0.055 176.784 176.600 0.215 0.000 1.093 419 E CA -0.647 55.871 56.400 0.198 0.000 0.908 419 E CB 1.394 31.166 29.700 0.120 0.000 1.091 419 E HN 0.530 nan 8.360 nan 0.000 0.425 420 A N 0.311 123.230 122.820 0.165 0.000 2.548 420 A HA 0.363 4.685 4.320 0.003 0.000 0.247 420 A C 1.213 178.857 177.584 0.100 0.000 1.067 420 A CA 0.876 52.991 52.037 0.129 0.000 0.757 420 A CB -0.679 18.372 19.000 0.084 0.000 0.996 420 A HN 0.792 nan 8.150 nan 0.000 0.504 421 G N 1.635 110.490 108.800 0.091 0.000 2.179 421 G HA2 -0.182 3.779 3.960 0.003 0.000 0.260 421 G HA3 -0.182 3.779 3.960 0.003 0.000 0.260 421 G C 0.564 175.520 174.900 0.093 0.000 0.977 421 G CA 0.925 46.069 45.100 0.073 0.000 0.641 421 G HN 2.190 nan 8.290 nan 0.000 0.533 422 S N -0.864 114.918 115.700 0.136 0.000 2.601 422 S HA 0.700 5.172 4.470 0.003 0.000 0.271 422 S C -0.250 174.447 174.600 0.162 0.000 1.305 422 S CA 0.094 58.383 58.200 0.149 0.000 1.022 422 S CB 2.201 65.515 63.200 0.191 0.000 0.940 422 S HN 0.633 nan 8.310 nan 0.000 0.525 423 K N 1.950 122.430 120.400 0.133 0.000 2.507 423 K HA 0.453 4.775 4.320 0.003 0.000 0.253 423 K C -1.256 175.420 176.600 0.128 0.000 0.969 423 K CA -0.708 55.657 56.287 0.131 0.000 0.908 423 K CB 1.102 33.653 32.500 0.086 0.000 1.127 423 K HN 0.775 nan 8.250 nan 0.000 0.437 424 E N 1.861 122.183 120.200 0.204 0.000 2.195 424 E HA 0.356 4.708 4.350 0.003 0.000 0.271 424 E C -0.529 176.103 176.600 0.053 0.000 0.923 424 E CA -0.692 55.781 56.400 0.122 0.000 0.790 424 E CB 2.052 31.913 29.700 0.269 0.000 1.155 424 E HN 0.503 nan 8.360 nan 0.000 0.402 425 Q N 1.686 121.345 119.800 -0.236 0.000 2.309 425 Q HA 0.534 4.876 4.340 0.003 0.000 0.264 425 Q C -1.082 174.518 176.000 -0.667 0.000 1.008 425 Q CA -0.678 54.986 55.803 -0.231 0.000 0.853 425 Q CB 1.832 30.503 28.738 -0.112 0.000 1.314 425 Q HN 0.432 nan 8.270 nan 0.000 0.448 426 Y N -0.352 120.004 120.300 0.092 0.000 2.553 426 Y HA 0.460 5.011 4.550 0.003 0.000 0.347 426 Y C -0.310 175.646 175.900 0.093 0.000 1.019 426 Y CA -0.835 57.315 58.100 0.084 0.000 1.032 426 Y CB 2.656 41.181 38.460 0.107 0.000 1.284 426 Y HN 0.400 nan 8.280 nan 0.000 0.466 427 T N 3.118 117.808 114.554 0.226 0.000 2.847 427 T HA 0.601 4.952 4.350 0.003 0.000 0.291 427 T C -0.932 173.878 174.700 0.184 0.000 0.998 427 T CA -0.700 61.503 62.100 0.172 0.000 0.967 427 T CB 0.432 69.360 68.868 0.100 0.000 0.954 427 T HN 0.498 nan 8.240 nan 0.000 0.441 428 V N -0.083 119.956 119.914 0.208 0.000 2.960 428 V HA 1.057 5.179 4.120 0.003 0.000 0.315 428 V C -0.382 175.840 176.094 0.213 0.000 1.087 428 V CA -1.166 61.253 62.300 0.197 0.000 0.982 428 V CB 1.172 33.111 31.823 0.193 0.000 1.039 428 V HN 0.938 nan 8.190 nan 0.000 0.437 429 Q N 0.195 120.098 119.800 0.171 0.000 2.353 429 Q HA 0.904 5.246 4.340 0.003 0.000 0.268 429 Q C -0.110 176.005 176.000 0.191 0.000 1.045 429 Q CA -0.234 55.652 55.803 0.138 0.000 0.811 429 Q CB 1.871 30.647 28.738 0.063 0.000 1.305 429 Q HN 2.164 nan 8.270 nan 0.000 0.447 430 G N -0.403 108.543 108.800 0.243 0.000 2.634 430 G HA2 0.546 4.507 3.960 0.003 0.000 0.309 430 G HA3 0.546 4.507 3.960 0.003 0.000 0.309 430 G C -1.228 173.838 174.900 0.277 0.000 1.299 430 G CA -0.640 44.620 45.100 0.266 0.000 0.798 430 G HN 1.054 nan 8.290 nan 0.000 0.490 431 F N 1.425 121.452 119.950 0.128 0.000 2.623 431 F HA 0.229 4.757 4.527 0.003 0.000 0.386 431 F C 0.626 176.519 175.800 0.155 0.000 1.068 431 F CA 0.004 58.062 58.000 0.097 0.000 1.265 431 F CB 0.728 39.764 39.000 0.061 0.000 1.026 431 F HN 0.298 nan 8.300 nan 0.000 0.568 432 D N 5.354 125.616 120.400 -0.229 0.000 2.342 432 D HA 0.055 4.697 4.640 0.003 0.000 0.260 432 D C 0.888 177.278 176.300 0.149 0.000 1.278 432 D CA 0.035 53.995 54.000 -0.065 0.000 0.910 432 D CB 0.726 41.397 40.800 -0.214 0.000 1.079 432 D HN 0.398 nan 8.370 nan 0.000 0.496 433 V N 2.286 122.440 119.914 0.400 0.000 3.646 433 V HA 0.361 4.483 4.120 0.003 0.000 0.277 433 V C 1.382 177.606 176.094 0.216 0.000 1.274 433 V CA 0.489 63.016 62.300 0.377 0.000 1.164 433 V CB -0.895 31.064 31.823 0.228 0.000 0.926 433 V HN 0.706 nan 8.190 nan 0.000 0.442 434 G N 1.377 110.274 108.800 0.162 0.000 2.556 434 G HA2 -0.396 3.565 3.960 0.003 0.000 0.283 434 G HA3 -0.396 3.565 3.960 0.003 0.000 0.283 434 G C -0.175 174.803 174.900 0.130 0.000 1.177 434 G CA 0.580 45.752 45.100 0.120 0.000 0.978 434 G HN 0.862 nan 8.290 nan 0.000 0.554 435 D N 0.961 121.434 120.400 0.122 0.000 2.401 435 D HA 0.394 5.036 4.640 0.003 0.000 0.254 435 D C 1.013 177.321 176.300 0.013 0.000 1.192 435 D CA -0.134 53.953 54.000 0.146 0.000 0.885 435 D CB 0.023 40.916 40.800 0.154 0.000 1.147 435 D HN 0.504 nan 8.370 nan 0.000 0.478 436 I N 3.815 124.230 120.570 -0.258 0.000 2.496 436 I HA 0.000 4.172 4.170 0.003 0.000 0.285 436 I C 1.342 177.346 176.117 -0.189 0.000 1.080 436 I CA 0.232 61.311 61.300 -0.368 0.000 1.404 436 I CB 1.034 38.587 38.000 -0.746 0.000 1.403 436 I HN 0.546 nan 8.210 nan 0.000 0.539 437 Q N 5.757 125.543 119.800 -0.023 0.000 2.477 437 Q HA 0.280 4.621 4.340 0.003 0.000 0.252 437 Q C -0.744 175.378 176.000 0.204 0.000 0.869 437 Q CA 0.219 56.065 55.803 0.071 0.000 0.969 437 Q CB 0.789 29.555 28.738 0.047 0.000 1.144 437 Q HN 0.622 nan 8.270 nan 0.000 0.577 438 L N -1.630 119.705 121.223 0.187 0.000 2.568 438 L HA 0.648 4.989 4.340 0.003 0.000 0.257 438 L C -0.983 175.870 176.870 -0.029 0.000 1.024 438 L CA -1.347 53.641 54.840 0.246 0.000 0.854 438 L CB 1.269 43.508 42.059 0.300 0.000 1.460 438 L HN 0.049 nan 8.230 nan 0.000 0.409 439 I N -2.000 118.426 120.570 -0.240 0.000 2.846 439 I HA 0.815 4.986 4.170 0.003 0.000 0.307 439 I C -1.241 174.691 176.117 -0.309 0.000 1.053 439 I CA -0.567 60.495 61.300 -0.397 0.000 1.050 439 I CB 2.530 40.117 38.000 -0.687 0.000 1.239 439 I HN 0.794 nan 8.210 nan 0.000 0.439 440 E N 4.775 124.828 120.200 -0.245 0.000 2.218 440 E HA 0.532 4.884 4.350 0.003 0.000 0.263 440 E C -1.361 175.229 176.600 -0.017 0.000 0.879 440 E CA -0.603 55.724 56.400 -0.120 0.000 0.762 440 E CB 2.715 32.391 29.700 -0.040 0.000 1.166 440 E HN 0.484 nan 8.360 nan 0.000 0.415 441 L N 2.897 124.114 121.223 -0.010 0.000 2.312 441 L HA 0.421 4.763 4.340 0.003 0.000 0.281 441 L C -0.348 176.632 176.870 0.183 0.000 1.070 441 L CA -0.587 54.301 54.840 0.080 0.000 0.805 441 L CB 0.648 42.702 42.059 -0.008 0.000 1.174 441 L HN 0.575 nan 8.230 nan 0.000 0.434 442 H N 1.693 120.830 119.070 0.112 0.000 2.589 442 H HA 0.445 5.003 4.556 0.003 0.000 0.351 442 H C -0.999 174.322 175.328 -0.011 0.000 1.074 442 H CA -0.354 55.691 56.048 -0.006 0.000 1.203 442 H CB 1.974 31.585 29.762 -0.250 0.000 1.558 442 H HN 0.478 nan 8.280 nan 0.000 0.522 443 S N 2.407 117.727 115.700 -0.634 0.000 2.473 443 S HA 0.132 4.604 4.470 0.003 0.000 0.307 443 S C 0.394 174.626 174.600 -0.614 0.000 1.094 443 S CA -0.563 57.379 58.200 -0.430 0.000 1.070 443 S CB 0.752 63.849 63.200 -0.173 0.000 1.019 443 S HN 0.851 nan 8.310 nan 0.000 0.480 444 D N 3.238 123.454 120.400 -0.308 0.000 2.363 444 D HA 0.132 4.773 4.640 0.003 0.000 0.226 444 D C 1.339 177.572 176.300 -0.110 0.000 1.020 444 D CA 0.933 54.841 54.000 -0.153 0.000 0.892 444 D CB -0.506 40.267 40.800 -0.046 0.000 0.900 444 D HN 1.045 nan 8.370 nan 0.000 0.531 445 G N -0.867 107.861 108.800 -0.120 0.000 2.176 445 G HA2 0.037 3.999 3.960 0.003 0.000 0.253 445 G HA3 0.037 3.999 3.960 0.003 0.000 0.253 445 G C 0.786 175.656 174.900 -0.049 0.000 0.979 445 G CA 0.309 45.364 45.100 -0.075 0.000 0.641 445 G HN 1.416 nan 8.290 nan 0.000 0.530 446 G N -1.684 107.089 108.800 -0.044 0.000 2.699 446 G HA2 0.491 4.452 3.960 0.003 0.000 0.686 446 G HA3 0.491 4.452 3.960 0.003 0.000 0.686 446 G C 0.790 175.685 174.900 -0.008 0.000 1.301 446 G CA 0.543 45.630 45.100 -0.021 0.000 0.816 446 G HN 1.950 nan 8.290 nan 0.000 0.595 447 G N -1.025 107.787 108.800 0.020 0.000 2.531 447 G HA2 0.516 4.478 3.960 0.003 0.000 0.253 447 G HA3 0.516 4.478 3.960 0.003 0.000 0.253 447 G C 0.945 175.847 174.900 0.004 0.000 1.439 447 G CA 0.584 45.706 45.100 0.037 0.000 1.056 447 G HN 1.303 nan 8.290 nan 0.000 0.555 448 Y N -0.995 119.206 120.300 -0.167 0.000 2.224 448 Y HA -0.148 4.404 4.550 0.003 0.000 0.289 448 Y C 2.211 177.855 175.900 -0.427 0.000 1.146 448 Y CA 1.688 59.558 58.100 -0.384 0.000 1.182 448 Y CB 0.045 38.133 38.460 -0.620 0.000 0.983 448 Y HN 0.486 nan 8.280 nan 0.000 0.524 449 W N -0.130 121.112 121.300 -0.097 0.000 3.197 449 W HA 0.199 4.861 4.660 0.003 0.000 0.274 449 W C 0.724 177.177 176.519 -0.110 0.000 1.297 449 W CA -0.047 57.210 57.345 -0.146 0.000 1.662 449 W CB -0.108 29.335 29.460 -0.027 0.000 1.106 449 W HN -0.291 nan 8.180 nan 0.000 0.663 450 S N 1.300 117.049 115.700 0.081 0.000 2.506 450 S HA 0.125 4.597 4.470 0.003 0.000 0.291 450 S C 1.398 176.001 174.600 0.005 0.000 1.230 450 S CA 0.422 58.650 58.200 0.047 0.000 1.107 450 S CB 0.846 64.057 63.200 0.017 0.000 0.942 450 S HN 0.396 nan 8.310 nan 0.000 0.502 451 G N 1.789 110.607 108.800 0.030 0.000 2.394 451 G HA2 -0.067 3.894 3.960 0.003 0.000 0.214 451 G HA3 -0.067 3.894 3.960 0.003 0.000 0.214 451 G C 0.382 175.261 174.900 -0.035 0.000 1.176 451 G CA 0.345 45.446 45.100 0.002 0.000 0.786 451 G HN 0.670 nan 8.290 nan 0.000 0.533 452 D N -0.162 120.235 120.400 -0.005 0.000 2.468 452 D HA 0.194 4.835 4.640 0.003 0.000 0.272 452 D C -1.656 174.675 176.300 0.052 0.000 1.221 452 D CA -1.248 52.734 54.000 -0.029 0.000 0.860 452 D CB 1.682 42.404 40.800 -0.129 0.000 1.190 452 D HN 0.058 nan 8.370 nan 0.000 0.509 453 P HA -0.068 nan 4.420 nan 0.000 0.222 453 P C 0.050 177.424 177.300 0.124 0.000 1.147 453 P CA 0.412 63.538 63.100 0.045 0.000 0.790 453 P CB 0.378 32.078 31.700 -0.001 0.000 0.780 454 D N 0.173 120.660 120.400 0.144 0.000 2.533 454 D HA -0.006 4.635 4.640 0.003 0.000 0.236 454 D C -0.425 176.252 176.300 0.627 0.000 1.137 454 D CA 0.554 54.732 54.000 0.298 0.000 0.867 454 D CB -0.035 40.818 40.800 0.089 0.000 1.170 454 D HN 0.129 nan 8.370 nan 0.000 0.474 455 W N 5.152 126.694 121.300 0.405 0.000 2.499 455 W HA 0.370 5.031 4.660 0.003 0.000 0.320 455 W C -1.799 174.749 176.519 0.048 0.000 1.010 455 W CA -1.612 55.853 57.345 0.200 0.000 1.267 455 W CB 0.313 29.763 29.460 -0.017 0.000 1.316 455 W HN 0.200 nan 8.180 nan 0.000 0.431 456 F N 7.075 126.788 119.950 -0.395 0.000 2.390 456 F HA 0.511 5.040 4.527 0.003 0.000 0.361 456 F C -0.514 174.805 175.800 -0.802 0.000 1.124 456 F CA -0.472 56.956 58.000 -0.952 0.000 1.149 456 F CB 0.644 38.732 39.000 -1.519 0.000 1.160 456 F HN -0.047 nan 8.300 nan 0.000 0.501 457 V N 7.686 126.922 119.914 -1.129 0.000 2.383 457 V HA 0.131 4.252 4.120 0.003 0.000 0.275 457 V C 0.782 176.296 176.094 -0.967 0.000 1.036 457 V CA -0.327 61.340 62.300 -1.055 0.000 0.889 457 V CB 1.274 32.335 31.823 -1.270 0.000 0.985 457 V HN 0.859 nan 8.190 nan 0.000 0.459 458 N N 3.345 121.589 118.700 -0.759 0.000 2.080 458 N HA 0.017 4.758 4.740 0.003 0.000 0.189 458 N C 0.821 175.698 175.510 -1.054 0.000 1.036 458 N CA 0.783 53.135 53.050 -1.163 0.000 0.846 458 N CB 0.234 38.267 38.487 -0.758 0.000 1.015 458 N HN 0.550 nan 8.380 nan 0.000 0.423 459 R N 0.047 120.220 120.500 -0.545 0.000 2.644 459 R HA 0.305 4.647 4.340 0.003 0.000 0.257 459 R C -2.219 173.997 176.300 -0.140 0.000 1.082 459 R CA -0.340 55.601 56.100 -0.265 0.000 0.927 459 R CB 1.407 31.632 30.300 -0.125 0.000 1.258 459 R HN -0.203 nan 8.270 nan 0.000 0.459 460 V N 5.324 125.225 119.914 -0.021 0.000 2.495 460 V HA 0.552 4.674 4.120 0.003 0.000 0.298 460 V C -0.184 176.058 176.094 0.246 0.000 1.031 460 V CA -0.620 61.711 62.300 0.051 0.000 0.871 460 V CB 1.777 33.552 31.823 -0.080 0.000 0.988 460 V HN 0.574 nan 8.190 nan 0.000 0.432 461 I N 5.751 126.451 120.570 0.216 0.000 2.406 461 I HA 0.544 4.716 4.170 0.003 0.000 0.290 461 I C -0.636 175.650 176.117 0.281 0.000 0.999 461 I CA -0.289 61.167 61.300 0.260 0.000 1.124 461 I CB 1.655 39.759 38.000 0.173 0.000 1.289 461 I HN 0.396 nan 8.210 nan 0.000 0.441 462 I N 6.812 127.613 120.570 0.384 0.000 2.569 462 I HA 0.534 4.706 4.170 0.003 0.000 0.296 462 I C -0.667 175.696 176.117 0.409 0.000 1.028 462 I CA -0.721 60.800 61.300 0.368 0.000 1.082 462 I CB 2.515 40.737 38.000 0.370 0.000 1.264 462 I HN 0.390 nan 8.210 nan 0.000 0.429 463 I N 3.507 124.282 120.570 0.341 0.000 2.498 463 I HA 0.271 4.443 4.170 0.003 0.000 0.290 463 I C -0.176 176.132 176.117 0.317 0.000 1.032 463 I CA -0.394 61.092 61.300 0.310 0.000 1.073 463 I CB 2.214 40.320 38.000 0.178 0.000 1.251 463 I HN 0.469 nan 8.210 nan 0.000 0.426 464 S N 2.454 118.353 115.700 0.332 0.000 2.541 464 S HA 0.271 4.742 4.470 0.003 0.000 0.283 464 S C 1.167 175.803 174.600 0.060 0.000 1.196 464 S CA -0.340 57.980 58.200 0.199 0.000 1.062 464 S CB 1.347 64.719 63.200 0.287 0.000 1.009 464 S HN 0.741 nan 8.310 nan 0.000 0.502 465 S N 2.631 118.285 115.700 -0.077 0.000 2.383 465 S HA -0.134 4.338 4.470 0.003 0.000 0.227 465 S C 1.814 176.396 174.600 -0.031 0.000 1.026 465 S CA 1.603 59.768 58.200 -0.058 0.000 0.981 465 S CB -1.279 61.858 63.200 -0.105 0.000 0.818 465 S HN 0.937 nan 8.310 nan 0.000 0.472 466 T N -1.097 113.432 114.554 -0.042 0.000 3.148 466 T HA 0.163 4.515 4.350 0.003 0.000 0.253 466 T C 0.516 175.242 174.700 0.044 0.000 1.134 466 T CA -0.063 62.032 62.100 -0.010 0.000 1.051 466 T CB -0.178 68.671 68.868 -0.031 0.000 0.959 466 T HN 0.321 nan 8.240 nan 0.000 0.525 467 Q N 0.396 120.251 119.800 0.091 0.000 2.433 467 Q HA 0.369 4.710 4.340 0.003 0.000 0.279 467 Q C -0.963 175.088 176.000 0.084 0.000 1.105 467 Q CA -0.581 55.298 55.803 0.128 0.000 0.815 467 Q CB 1.951 30.855 28.738 0.277 0.000 1.403 467 Q HN 0.191 nan 8.270 nan 0.000 0.435 468 D N 0.458 120.880 120.400 0.037 0.000 2.755 468 D HA 0.215 4.857 4.640 0.003 0.000 0.257 468 D C -0.446 175.813 176.300 -0.068 0.000 1.291 468 D CA 0.175 54.171 54.000 -0.006 0.000 0.836 468 D CB 0.424 41.221 40.800 -0.005 0.000 1.059 468 D HN 0.518 nan 8.370 nan 0.000 0.486 469 R N -0.451 119.965 120.500 -0.141 0.000 2.854 469 R HA 0.650 4.992 4.340 0.003 0.000 0.271 469 R C -0.968 175.105 176.300 -0.378 0.000 0.994 469 R CA -0.539 55.355 56.100 -0.342 0.000 0.945 469 R CB 1.060 31.005 30.300 -0.592 0.000 1.194 469 R HN 0.004 nan 8.270 nan 0.000 0.476 470 V N 2.874 122.588 119.914 -0.334 0.000 2.333 470 V HA 0.396 4.518 4.120 0.003 0.000 0.274 470 V C -1.074 174.860 176.094 -0.268 0.000 1.028 470 V CA -0.789 61.396 62.300 -0.191 0.000 0.851 470 V CB 0.509 32.291 31.823 -0.068 0.000 1.000 470 V HN 0.754 nan 8.190 nan 0.000 0.456 471 Y N 2.681 122.999 120.300 0.030 0.000 2.383 471 Y HA 0.470 5.022 4.550 0.003 0.000 0.344 471 Y C 0.796 176.625 175.900 -0.120 0.000 0.986 471 Y CA 0.010 58.054 58.100 -0.093 0.000 1.175 471 Y CB 1.580 40.029 38.460 -0.018 0.000 1.152 471 Y HN 0.555 nan 8.280 nan 0.000 0.511 472 S N 4.398 120.008 115.700 -0.151 0.000 2.449 472 S HA 0.646 5.118 4.470 0.003 0.000 0.310 472 S C -1.307 173.139 174.600 -0.256 0.000 1.096 472 S CA -0.590 57.569 58.200 -0.068 0.000 1.095 472 S CB 0.035 63.230 63.200 -0.008 0.000 1.007 472 S HN 0.442 nan 8.310 nan 0.000 0.474 473 F N 6.168 126.147 119.950 0.049 0.000 2.443 473 F HA 0.395 4.924 4.527 0.003 0.000 0.369 473 F C -2.071 173.706 175.800 -0.037 0.000 1.090 473 F CA -2.070 55.931 58.000 0.002 0.000 1.129 473 F CB 1.503 40.473 39.000 -0.049 0.000 1.367 473 F HN 0.354 nan 8.300 nan 0.000 0.465 474 P HA 0.124 nan 4.420 nan 0.000 0.274 474 P C -0.070 177.254 177.300 0.040 0.000 1.231 474 P CA -0.030 63.150 63.100 0.134 0.000 0.790 474 P CB 2.510 34.335 31.700 0.209 0.000 0.951 475 C N 1.911 121.167 119.300 -0.074 0.000 3.162 475 C HA 0.329 4.791 4.460 0.003 0.000 0.220 475 C C 0.348 175.283 174.990 -0.092 0.000 2.475 475 C CA 0.073 58.971 59.018 -0.200 0.000 1.361 475 C CB -1.320 26.150 27.740 -0.450 0.000 1.251 475 C HN 0.544 nan 8.230 nan 0.000 0.734 476 F N 2.122 121.824 119.950 -0.413 0.000 3.067 476 F HA -0.135 4.393 4.527 0.003 0.000 0.279 476 F C 0.357 175.791 175.800 -0.610 0.000 0.945 476 F CA 1.079 58.809 58.000 -0.451 0.000 0.948 476 F CB -1.459 37.490 39.000 -0.085 0.000 0.898 476 F HN 0.464 nan 8.300 nan 0.000 0.746 477 R N -2.161 117.807 120.500 -0.887 0.000 2.817 477 R HA 0.501 4.842 4.340 0.003 0.000 0.268 477 R C -1.069 174.711 176.300 -0.868 0.000 1.027 477 R CA -1.179 54.562 56.100 -0.597 0.000 0.928 477 R CB 1.022 31.295 30.300 -0.045 0.000 1.228 477 R HN 0.100 nan 8.270 nan 0.000 0.469 478 W N 0.866 122.031 121.300 -0.226 0.000 2.266 478 W HA 0.284 4.946 4.660 0.003 0.000 0.317 478 W C -0.101 176.341 176.519 -0.128 0.000 1.310 478 W CA -0.280 57.010 57.345 -0.090 0.000 1.207 478 W CB 0.819 30.335 29.460 0.092 0.000 1.199 478 W HN 0.038 nan 8.180 nan 0.000 0.544 479 V N 6.487 126.466 119.914 0.109 0.000 2.383 479 V HA 0.119 4.240 4.120 0.003 0.000 0.275 479 V C 0.772 176.973 176.094 0.177 0.000 1.036 479 V CA -0.424 61.917 62.300 0.068 0.000 0.889 479 V CB 0.742 32.558 31.823 -0.012 0.000 0.985 479 V HN 0.546 nan 8.190 nan 0.000 0.459 480 I N 4.313 124.938 120.570 0.093 0.000 3.649 480 I HA 0.184 4.356 4.170 0.003 0.000 0.234 480 I C 2.147 178.259 176.117 -0.008 0.000 1.053 480 I CA 1.363 62.693 61.300 0.050 0.000 1.538 480 I CB -1.091 36.912 38.000 0.006 0.000 1.445 480 I HN 0.639 nan 8.210 nan 0.000 0.464 481 K N 0.046 120.423 120.400 -0.038 0.000 2.312 481 K HA 0.167 4.489 4.320 0.003 0.000 0.206 481 K C 0.462 177.002 176.600 -0.099 0.000 1.121 481 K CA 0.597 56.816 56.287 -0.112 0.000 0.923 481 K CB -0.042 32.419 32.500 -0.066 0.000 1.162 481 K HN 0.352 nan 8.250 nan 0.000 0.478 482 D N -0.750 119.651 120.400 0.001 0.000 2.738 482 D HA 0.542 5.184 4.640 0.003 0.000 0.237 482 D C -1.406 174.898 176.300 0.007 0.000 1.123 482 D CA -0.475 53.557 54.000 0.054 0.000 0.856 482 D CB 1.873 42.733 40.800 0.100 0.000 1.552 482 D HN 0.203 nan 8.370 nan 0.000 0.480 483 M N 1.927 121.516 119.600 -0.017 0.000 2.238 483 M HA 0.272 4.754 4.480 0.003 0.000 0.278 483 M C -2.233 173.981 176.300 -0.144 0.000 1.040 483 M CA -0.551 54.694 55.300 -0.092 0.000 0.969 483 M CB 1.824 34.340 32.600 -0.140 0.000 1.694 483 M HN 0.056 nan 8.290 nan 0.000 0.472 484 V N 6.228 126.025 119.914 -0.195 0.000 2.439 484 V HA 0.616 4.738 4.120 0.003 0.000 0.282 484 V C -0.385 175.411 176.094 -0.498 0.000 1.039 484 V CA -0.491 61.624 62.300 -0.308 0.000 0.913 484 V CB 1.279 32.931 31.823 -0.285 0.000 0.983 484 V HN 0.838 nan 8.190 nan 0.000 0.460 485 L N 4.745 125.652 121.223 -0.526 0.000 2.388 485 L HA 0.667 5.009 4.340 0.003 0.000 0.264 485 L C -1.082 175.567 176.870 -0.369 0.000 0.998 485 L CA -0.369 54.184 54.840 -0.479 0.000 0.817 485 L CB 2.270 44.177 42.059 -0.254 0.000 1.338 485 L HN 0.480 nan 8.230 nan 0.000 0.414 486 F N 1.700 121.776 119.950 0.210 0.000 2.492 486 F HA 0.595 5.124 4.527 0.003 0.000 0.327 486 F C -2.077 173.786 175.800 0.105 0.000 1.079 486 F CA -2.315 55.816 58.000 0.217 0.000 0.967 486 F CB 1.377 40.404 39.000 0.044 0.000 1.169 486 F HN 0.207 nan 8.300 nan 0.000 0.472 487 P HA 0.374 nan 4.420 nan 0.000 0.279 487 P C 0.262 177.464 177.300 -0.164 0.000 1.252 487 P CA 0.149 62.925 63.100 -0.541 0.000 0.811 487 P CB 1.335 32.675 31.700 -0.601 0.000 1.035 488 G N 1.725 110.428 108.800 -0.162 0.000 2.562 488 G HA2 -0.206 3.756 3.960 0.003 0.000 0.250 488 G HA3 -0.206 3.756 3.960 0.003 0.000 0.250 488 G C -0.656 174.248 174.900 0.007 0.000 1.269 488 G CA -0.233 44.836 45.100 -0.052 0.000 0.919 488 G HN 0.567 nan 8.290 nan 0.000 0.574 489 E N 0.577 120.800 120.200 0.039 0.000 2.373 489 E HA 0.570 4.922 4.350 0.003 0.000 0.263 489 E C 1.007 177.642 176.600 0.058 0.000 1.073 489 E CA 0.317 56.780 56.400 0.105 0.000 0.894 489 E CB 0.892 30.681 29.700 0.149 0.000 1.008 489 E HN 1.148 nan 8.360 nan 0.000 0.420 490 A N 1.798 124.644 122.820 0.042 0.000 2.520 490 A HA 0.356 4.678 4.320 0.003 0.000 0.235 490 A C 0.156 177.633 177.584 -0.177 0.000 1.065 490 A CA 0.300 52.219 52.037 -0.197 0.000 0.764 490 A CB -0.162 18.517 19.000 -0.535 0.000 1.002 490 A HN 0.603 nan 8.150 nan 0.000 0.502 491 T N -0.187 114.186 114.554 -0.302 0.000 2.896 491 T HA 0.634 4.985 4.350 0.003 0.000 0.297 491 T C -0.337 174.059 174.700 -0.507 0.000 1.108 491 T CA -0.849 61.062 62.100 -0.315 0.000 1.004 491 T CB 0.713 69.427 68.868 -0.257 0.000 1.159 491 T HN 0.499 nan 8.240 nan 0.000 0.499 492 L N 2.317 123.171 121.223 -0.615 0.000 2.418 492 L HA 0.327 4.668 4.340 0.003 0.000 0.265 492 L C -1.046 175.473 176.870 -0.584 0.000 1.143 492 L CA -2.404 52.001 54.840 -0.724 0.000 0.809 492 L CB 0.739 42.153 42.059 -1.074 0.000 1.124 492 L HN 0.498 nan 8.230 nan 0.000 0.456 493 P HA -0.218 nan 4.420 nan 0.000 0.216 493 P C 1.156 178.376 177.300 -0.134 0.000 1.150 493 P CA 1.678 64.690 63.100 -0.146 0.000 0.843 493 P CB -0.064 31.659 31.700 0.037 0.000 0.787 494 F N -1.245 118.690 119.950 -0.025 0.000 2.789 494 F HA 0.240 4.769 4.527 0.003 0.000 0.300 494 F C 0.447 176.223 175.800 -0.040 0.000 1.132 494 F CA -1.222 56.764 58.000 -0.024 0.000 1.404 494 F CB -2.007 36.992 39.000 -0.002 0.000 1.114 494 F HN -0.247 nan 8.300 nan 0.000 0.584 495 N N 2.560 121.015 118.700 -0.407 0.000 2.407 495 N HA -0.087 4.655 4.740 0.003 0.000 0.250 495 N C -0.045 175.411 175.510 -0.091 0.000 1.236 495 N CA -0.026 52.894 53.050 -0.218 0.000 0.879 495 N CB 0.338 38.649 38.487 -0.293 0.000 1.088 495 N HN 0.341 nan 8.380 nan 0.000 0.450 496 E N 1.910 122.091 120.200 -0.031 0.000 2.415 496 E HA 0.073 4.424 4.350 0.003 0.000 0.260 496 E C -1.180 175.388 176.600 -0.053 0.000 1.016 496 E CA 0.162 56.549 56.400 -0.022 0.000 0.924 496 E CB 0.523 30.222 29.700 -0.001 0.000 0.961 496 E HN 0.142 nan 8.360 nan 0.000 0.459 497 V N 6.025 125.903 119.914 -0.060 0.000 3.012 497 V HA 0.298 4.420 4.120 0.003 0.000 0.307 497 V C -2.277 173.776 176.094 -0.067 0.000 1.166 497 V CA -1.689 60.558 62.300 -0.089 0.000 0.974 497 V CB 2.320 34.050 31.823 -0.154 0.000 1.040 497 V HN 0.725 nan 8.190 nan 0.000 0.428 498 P HA 0.204 nan 4.420 nan 0.000 0.268 498 P C 0.572 177.843 177.300 -0.048 0.000 1.208 498 P CA 0.303 63.381 63.100 -0.037 0.000 0.777 498 P CB 0.688 32.376 31.700 -0.021 0.000 0.875 499 A N 2.449 125.252 122.820 -0.027 0.000 1.892 499 A HA -0.235 4.087 4.320 0.003 0.000 0.218 499 A C 1.996 179.565 177.584 -0.025 0.000 1.188 499 A CA 1.784 53.807 52.037 -0.024 0.000 0.631 499 A CB -1.422 17.572 19.000 -0.010 0.000 0.822 499 A HN 0.585 nan 8.150 nan 0.000 0.447 500 I N -0.113 120.448 120.570 -0.015 0.000 2.248 500 I HA -0.195 3.977 4.170 0.003 0.000 0.248 500 I C 2.214 178.335 176.117 0.007 0.000 1.107 500 I CA 1.499 62.800 61.300 0.002 0.000 1.373 500 I CB -0.240 37.766 38.000 0.009 0.000 1.055 500 I HN 0.118 nan 8.210 nan 0.000 0.418 501 V N -0.362 119.519 119.914 -0.054 0.000 2.379 501 V HA -0.219 3.903 4.120 0.003 0.000 0.245 501 V C 2.559 178.511 176.094 -0.236 0.000 1.044 501 V CA 1.935 64.118 62.300 -0.195 0.000 1.036 501 V CB -0.839 30.779 31.823 -0.342 0.000 0.664 501 V HN 0.422 nan 8.190 nan 0.000 0.453 502 S N -0.363 115.244 115.700 -0.154 0.000 2.356 502 S HA -0.246 4.226 4.470 0.003 0.000 0.223 502 S C 1.944 176.522 174.600 -0.036 0.000 1.032 502 S CA 1.767 59.906 58.200 -0.101 0.000 1.005 502 S CB -0.271 62.890 63.200 -0.064 0.000 0.867 502 S HN 0.675 nan 8.310 nan 0.000 0.449 503 E N 0.767 120.961 120.200 -0.010 0.000 2.049 503 E HA -0.183 4.168 4.350 0.003 0.000 0.198 503 E C 2.458 179.089 176.600 0.050 0.000 1.007 503 E CA 1.180 57.591 56.400 0.019 0.000 0.809 503 E CB -0.078 29.633 29.700 0.020 0.000 0.749 503 E HN 0.291 nan 8.360 nan 0.000 0.450 504 Q N 0.087 119.942 119.800 0.092 0.000 2.124 504 Q HA -0.146 4.196 4.340 0.003 0.000 0.202 504 Q C 2.153 178.278 176.000 0.209 0.000 0.977 504 Q CA 1.116 57.026 55.803 0.178 0.000 0.850 504 Q CB -0.274 28.660 28.738 0.325 0.000 0.901 504 Q HN 0.218 nan 8.270 nan 0.000 0.429 505 R N 0.225 120.826 120.500 0.169 0.000 2.080 505 R HA -0.182 4.160 4.340 0.003 0.000 0.236 505 R C 2.424 178.764 176.300 0.067 0.000 1.137 505 R CA 1.718 57.885 56.100 0.111 0.000 0.943 505 R CB 0.008 30.278 30.300 -0.051 0.000 0.846 505 R HN 0.100 nan 8.270 nan 0.000 0.431 506 Q N -0.006 119.820 119.800 0.044 0.000 2.030 506 Q HA -0.181 4.161 4.340 0.003 0.000 0.204 506 Q C 2.475 178.507 176.000 0.053 0.000 0.986 506 Q CA 2.156 57.985 55.803 0.043 0.000 0.843 506 Q CB -0.319 28.439 28.738 0.034 0.000 0.904 506 Q HN 0.440 nan 8.270 nan 0.000 0.420 507 K N 0.160 120.594 120.400 0.056 0.000 2.044 507 K HA -0.217 4.105 4.320 0.003 0.000 0.210 507 K C 2.164 178.798 176.600 0.058 0.000 1.049 507 K CA 1.709 58.029 56.287 0.054 0.000 0.927 507 K CB -0.680 31.851 32.500 0.052 0.000 0.713 507 K HN 0.711 nan 8.250 nan 0.000 0.443 508 E N 0.266 120.506 120.200 0.066 0.000 2.070 508 E HA -0.215 4.137 4.350 0.003 0.000 0.197 508 E C 2.101 178.740 176.600 0.066 0.000 1.004 508 E CA 1.751 58.187 56.400 0.059 0.000 0.805 508 E CB -0.184 29.549 29.700 0.055 0.000 0.744 508 E HN 0.363 nan 8.360 nan 0.000 0.451 509 L N 0.434 121.693 121.223 0.060 0.000 2.083 509 L HA -0.193 4.149 4.340 0.003 0.000 0.209 509 L C 2.500 179.421 176.870 0.084 0.000 1.083 509 L CA 1.401 56.282 54.840 0.068 0.000 0.752 509 L CB -0.356 41.737 42.059 0.057 0.000 0.899 509 L HN 0.206 nan 8.230 nan 0.000 0.433 510 E N -0.268 119.974 120.200 0.071 0.000 2.051 510 E HA -0.266 4.086 4.350 0.003 0.000 0.192 510 E C 2.241 178.883 176.600 0.071 0.000 0.991 510 E CA 1.222 57.663 56.400 0.068 0.000 0.799 510 E CB -0.070 29.663 29.700 0.054 0.000 0.748 510 E HN 0.530 nan 8.360 nan 0.000 0.449 511 Q N 0.206 120.046 119.800 0.068 0.000 2.135 511 Q HA -0.147 4.194 4.340 0.003 0.000 0.204 511 Q C 2.182 178.242 176.000 0.099 0.000 0.981 511 Q CA 0.964 56.805 55.803 0.064 0.000 0.856 511 Q CB -0.067 28.704 28.738 0.055 0.000 0.902 511 Q HN 0.128 nan 8.270 nan 0.000 0.425 512 R N 0.770 121.364 120.500 0.157 0.000 2.120 512 R HA -0.056 4.285 4.340 0.003 0.000 0.234 512 R C 1.869 178.316 176.300 0.246 0.000 1.123 512 R CA 0.862 57.132 56.100 0.284 0.000 0.975 512 R CB -0.159 30.305 30.300 0.272 0.000 0.866 512 R HN 0.222 nan 8.270 nan 0.000 0.446 513 K N 0.662 121.152 120.400 0.150 0.000 2.288 513 K HA 0.015 4.336 4.320 0.003 0.000 0.201 513 K C 2.186 178.834 176.600 0.079 0.000 1.048 513 K CA 0.654 57.013 56.287 0.120 0.000 0.956 513 K CB -0.014 32.552 32.500 0.110 0.000 0.746 513 K HN 0.219 nan 8.250 nan 0.000 0.461 514 L N 0.321 121.576 121.223 0.054 0.000 2.127 514 L HA -0.052 4.290 4.340 0.003 0.000 0.203 514 L C 2.254 179.093 176.870 -0.050 0.000 1.080 514 L CA 0.963 55.808 54.840 0.008 0.000 0.768 514 L CB -0.482 41.578 42.059 0.002 0.000 0.924 514 L HN 0.039 nan 8.230 nan 0.000 0.444 515 T N -1.659 112.849 114.554 -0.078 0.000 2.857 515 T HA -0.092 4.260 4.350 0.003 0.000 0.266 515 T C -0.071 174.377 174.700 -0.421 0.000 1.048 515 T CA 1.056 62.985 62.100 -0.286 0.000 1.139 515 T CB -0.145 68.494 68.868 -0.381 0.000 0.874 515 T HN 0.052 nan 8.240 nan 0.000 0.455 516 Y N 1.828 122.076 120.300 -0.085 0.000 2.478 516 Y HA 0.483 5.035 4.550 0.003 0.000 0.329 516 Y C 0.232 176.018 175.900 -0.191 0.000 0.967 516 Y CA -0.949 57.068 58.100 -0.138 0.000 1.255 516 Y CB 0.736 39.149 38.460 -0.078 0.000 1.103 516 Y HN 0.037 nan 8.280 nan 0.000 0.497 517 Q N 1.958 121.692 119.800 -0.110 0.000 2.377 517 Q HA 0.309 4.651 4.340 0.003 0.000 0.271 517 Q C -1.229 174.647 176.000 -0.207 0.000 1.077 517 Q CA -1.090 54.638 55.803 -0.126 0.000 0.820 517 Q CB 2.318 31.030 28.738 -0.043 0.000 1.347 517 Q HN 0.613 nan 8.270 nan 0.000 0.444 518 W N 1.286 122.545 121.300 -0.068 0.000 2.158 518 W HA 0.212 4.873 4.660 0.003 0.000 0.339 518 W C 0.235 176.534 176.519 -0.366 0.000 1.294 518 W CA 0.678 57.881 57.345 -0.236 0.000 1.231 518 W CB 0.606 29.962 29.460 -0.172 0.000 1.143 518 W HN 0.557 nan 8.180 nan 0.000 0.571 519 D N 0.571 120.761 120.400 -0.349 0.000 2.609 519 D HA 0.438 5.080 4.640 0.003 0.000 0.239 519 D C -1.958 173.925 176.300 -0.694 0.000 1.229 519 D CA -0.807 52.970 54.000 -0.371 0.000 0.808 519 D CB 1.172 41.883 40.800 -0.148 0.000 1.448 519 D HN 0.220 nan 8.370 nan 0.000 0.433 520 Y N 1.094 121.435 120.300 0.068 0.000 2.433 520 Y HA 0.288 4.839 4.550 0.003 0.000 0.337 520 Y C 0.922 176.824 175.900 0.004 0.000 1.026 520 Y CA -0.999 57.120 58.100 0.030 0.000 1.037 520 Y CB 2.101 40.567 38.460 0.009 0.000 1.245 520 Y HN 0.147 nan 8.280 nan 0.000 0.443 521 V N 1.123 121.103 119.914 0.110 0.000 2.490 521 V HA -0.138 3.984 4.120 0.003 0.000 0.250 521 V C 0.772 176.902 176.094 0.060 0.000 1.061 521 V CA 1.935 64.267 62.300 0.052 0.000 1.064 521 V CB -0.340 31.485 31.823 0.004 0.000 0.670 521 V HN 0.850 nan 8.190 nan 0.000 0.461 522 S N -2.569 113.181 115.700 0.084 0.000 2.669 522 S HA 0.230 4.701 4.470 0.003 0.000 0.266 522 S C -0.206 174.419 174.600 0.042 0.000 1.149 522 S CA -0.239 57.993 58.200 0.053 0.000 0.842 522 S CB 1.023 64.241 63.200 0.031 0.000 1.160 522 S HN 0.010 nan 8.310 nan 0.000 0.487 523 D N 0.660 121.066 120.400 0.010 0.000 2.269 523 D HA 0.134 4.775 4.640 0.003 0.000 0.208 523 D C 0.179 176.521 176.300 0.069 0.000 0.963 523 D CA 0.969 54.947 54.000 -0.035 0.000 0.864 523 D CB -0.107 40.673 40.800 -0.032 0.000 0.936 523 D HN 0.538 nan 8.370 nan 0.000 0.505 524 D N -0.397 120.100 120.400 0.162 0.000 2.463 524 D HA 0.072 4.714 4.640 0.003 0.000 0.224 524 D C 0.234 176.712 176.300 0.296 0.000 1.174 524 D CA 0.009 54.220 54.000 0.352 0.000 0.829 524 D CB 0.591 41.538 40.800 0.245 0.000 0.993 524 D HN 0.087 nan 8.370 nan 0.000 0.497 525 M N 1.331 120.989 119.600 0.097 0.000 2.464 525 M HA 0.352 4.833 4.480 0.003 0.000 0.308 525 M C -2.558 173.550 176.300 -0.320 0.000 1.127 525 M CA -2.439 52.742 55.300 -0.198 0.000 0.913 525 M CB 2.296 34.830 32.600 -0.110 0.000 1.689 525 M HN -0.322 nan 8.290 nan 0.000 0.445 526 P HA 0.128 nan 4.420 nan 0.000 0.269 526 P C 0.153 177.451 177.300 -0.004 0.000 1.215 526 P CA -0.085 62.734 63.100 -0.468 0.000 0.780 526 P CB 0.310 31.601 31.700 -0.681 0.000 0.898 527 G N 2.141 111.076 108.800 0.226 0.000 2.527 527 G HA2 0.242 4.204 3.960 0.003 0.000 0.248 527 G HA3 0.242 4.204 3.960 0.003 0.000 0.248 527 G C 0.018 175.063 174.900 0.243 0.000 1.231 527 G CA -0.570 44.667 45.100 0.230 0.000 0.838 527 G HN 0.749 nan 8.290 nan 0.000 0.570 528 N N 0.618 119.346 118.700 0.047 0.000 2.453 528 N HA 0.317 5.058 4.740 0.003 0.000 0.290 528 N C -0.608 174.844 175.510 -0.097 0.000 1.250 528 N CA -0.976 52.073 53.050 -0.002 0.000 0.815 528 N CB 2.167 40.636 38.487 -0.030 0.000 1.381 528 N HN 0.423 nan 8.380 nan 0.000 0.510 529 I N 0.239 120.741 120.570 -0.115 0.000 2.710 529 I HA -0.037 4.135 4.170 0.003 0.000 0.286 529 I C 0.742 176.780 176.117 -0.131 0.000 1.181 529 I CA -0.114 61.097 61.300 -0.148 0.000 1.430 529 I CB 0.426 38.362 38.000 -0.107 0.000 1.367 529 I HN 0.484 nan 8.210 nan 0.000 0.577 530 K N 6.932 127.250 120.400 -0.137 0.000 2.378 530 K HA 0.503 4.825 4.320 0.003 0.000 0.288 530 K C -1.087 175.441 176.600 -0.120 0.000 1.057 530 K CA -0.097 56.124 56.287 -0.110 0.000 0.971 530 K CB 0.357 32.802 32.500 -0.091 0.000 0.975 530 K HN 0.711 nan 8.250 nan 0.000 0.475 531 A N 3.222 125.980 122.820 -0.104 0.000 2.534 531 A HA 0.407 4.729 4.320 0.003 0.000 0.300 531 A C 0.135 177.667 177.584 -0.086 0.000 1.054 531 A CA -0.364 51.605 52.037 -0.114 0.000 0.858 531 A CB 0.986 19.899 19.000 -0.145 0.000 1.333 531 A HN 0.718 nan 8.150 nan 0.000 0.391 532 K N 0.811 121.166 120.400 -0.075 0.000 1.985 532 K HA 0.232 4.554 4.320 0.003 0.000 0.210 532 K C 1.184 177.755 176.600 -0.049 0.000 1.047 532 K CA 2.628 58.883 56.287 -0.053 0.000 0.932 532 K CB -0.801 31.671 32.500 -0.046 0.000 0.716 532 K HN 2.036 nan 8.250 nan 0.000 0.439 533 T N -4.839 109.682 114.554 -0.054 0.000 2.888 533 T HA 0.323 4.675 4.350 0.003 0.000 0.288 533 T C 0.848 175.522 174.700 -0.043 0.000 1.063 533 T CA -0.002 62.079 62.100 -0.032 0.000 1.010 533 T CB 1.295 70.156 68.868 -0.011 0.000 1.214 533 T HN 0.343 nan 8.240 nan 0.000 0.533 534 H N 0.626 119.622 119.070 -0.122 0.000 2.319 534 H HA -0.136 4.421 4.556 0.003 0.000 0.297 534 H C 0.791 176.037 175.328 -0.137 0.000 1.097 534 H CA 2.482 58.435 56.048 -0.159 0.000 1.285 534 H CB -0.234 29.424 29.762 -0.173 0.000 1.368 534 H HN 0.635 nan 8.280 nan 0.000 0.495 535 D N 0.412 120.810 120.400 -0.004 0.000 2.371 535 D HA -0.080 4.561 4.640 0.003 0.000 0.221 535 D C 1.475 177.689 176.300 -0.144 0.000 0.986 535 D CA 0.427 54.384 54.000 -0.071 0.000 0.899 535 D CB -0.282 40.521 40.800 0.005 0.000 0.902 535 D HN 0.486 nan 8.370 nan 0.000 0.530 536 D N 0.153 120.465 120.400 -0.146 0.000 2.317 536 D HA -0.010 4.632 4.640 0.003 0.000 0.211 536 D C 0.914 177.079 176.300 -0.226 0.000 0.966 536 D CA 0.101 54.003 54.000 -0.163 0.000 0.876 536 D CB 0.499 41.220 40.800 -0.132 0.000 0.927 536 D HN 0.248 nan 8.370 nan 0.000 0.519 537 L N 2.193 123.246 121.223 -0.283 0.000 2.490 537 L HA 0.075 4.416 4.340 0.003 0.000 0.274 537 L C -1.979 174.686 176.870 -0.341 0.000 1.201 537 L CA -1.438 53.201 54.840 -0.335 0.000 0.869 537 L CB -0.176 41.636 42.059 -0.412 0.000 1.123 537 L HN -0.241 nan 8.230 nan 0.000 0.484 538 P HA -0.040 nan 4.420 nan 0.000 0.265 538 P C 0.163 177.294 177.300 -0.281 0.000 1.187 538 P CA 0.035 62.916 63.100 -0.365 0.000 0.766 538 P CB 0.482 31.859 31.700 -0.538 0.000 0.820 539 R N 2.347 122.696 120.500 -0.252 0.000 2.120 539 R HA -0.150 4.192 4.340 0.003 0.000 0.234 539 R C 1.225 177.491 176.300 -0.055 0.000 1.123 539 R CA 1.459 57.380 56.100 -0.300 0.000 0.975 539 R CB -0.369 29.579 30.300 -0.587 0.000 0.866 539 R HN 0.430 nan 8.270 nan 0.000 0.446 540 D N -0.347 120.103 120.400 0.084 0.000 2.263 540 D HA -0.123 4.519 4.640 0.003 0.000 0.208 540 D C 1.414 177.829 176.300 0.193 0.000 0.971 540 D CA 1.524 55.690 54.000 0.277 0.000 0.867 540 D CB 0.327 41.150 40.800 0.039 0.000 0.929 540 D HN 0.319 nan 8.370 nan 0.000 0.492 541 V N -2.547 117.354 119.914 -0.022 0.000 3.427 541 V HA 0.235 4.356 4.120 0.003 0.000 0.305 541 V C 0.605 176.687 176.094 -0.020 0.000 1.412 541 V CA -0.451 61.856 62.300 0.011 0.000 1.086 541 V CB -0.097 31.630 31.823 -0.160 0.000 0.964 541 V HN -0.136 nan 8.190 nan 0.000 0.439 542 Q N 0.437 120.215 119.800 -0.038 0.000 2.443 542 Q HA 0.338 4.680 4.340 0.003 0.000 0.232 542 Q C -0.431 175.789 176.000 0.367 0.000 1.026 542 Q CA -0.591 55.151 55.803 -0.103 0.000 0.924 542 Q CB 0.591 29.211 28.738 -0.197 0.000 1.256 542 Q HN 0.455 nan 8.270 nan 0.000 0.519 543 F N 1.199 121.419 119.950 0.450 0.000 2.628 543 F HA -0.066 4.462 4.527 0.003 0.000 0.362 543 F C 1.226 177.255 175.800 0.380 0.000 1.148 543 F CA -0.219 58.009 58.000 0.381 0.000 1.352 543 F CB -0.086 39.041 39.000 0.212 0.000 1.081 543 F HN 0.486 nan 8.300 nan 0.000 0.605 544 T N -0.615 114.271 114.554 0.554 0.000 2.795 544 T HA 0.048 4.399 4.350 0.003 0.000 0.314 544 T C 0.843 175.707 174.700 0.273 0.000 1.069 544 T CA -0.403 61.898 62.100 0.336 0.000 1.071 544 T CB 0.494 69.467 68.868 0.176 0.000 0.988 544 T HN 0.489 nan 8.240 nan 0.000 0.543 545 D N 0.415 120.956 120.400 0.234 0.000 2.178 545 D HA -0.028 4.614 4.640 0.003 0.000 0.202 545 D C 2.009 178.383 176.300 0.124 0.000 0.974 545 D CA 1.060 55.177 54.000 0.195 0.000 0.841 545 D CB -0.079 40.864 40.800 0.237 0.000 0.953 545 D HN 0.724 nan 8.370 nan 0.000 0.478 546 E N 0.276 120.529 120.200 0.088 0.000 2.118 546 E HA -0.190 4.162 4.350 0.003 0.000 0.195 546 E C 1.720 178.325 176.600 0.008 0.000 0.992 546 E CA 0.939 57.365 56.400 0.043 0.000 0.804 546 E CB 0.010 29.725 29.700 0.024 0.000 0.741 546 E HN -0.006 nan 8.360 nan 0.000 0.458 547 K N 0.212 120.593 120.400 -0.031 0.000 2.186 547 K HA 0.128 4.450 4.320 0.003 0.000 0.202 547 K C 1.902 178.354 176.600 -0.248 0.000 1.052 547 K CA 0.878 57.016 56.287 -0.249 0.000 0.965 547 K CB -0.209 32.002 32.500 -0.481 0.000 0.746 547 K HN -0.009 nan 8.250 nan 0.000 0.457 548 S N 0.627 116.341 115.700 0.024 0.000 2.368 548 S HA -0.106 4.366 4.470 0.003 0.000 0.225 548 S C 1.913 176.604 174.600 0.151 0.000 1.030 548 S CA 1.259 59.565 58.200 0.178 0.000 0.999 548 S CB -0.257 63.051 63.200 0.180 0.000 0.844 548 S HN 0.397 nan 8.310 nan 0.000 0.459 549 R N 1.075 121.632 120.500 0.095 0.000 2.073 549 R HA -0.078 4.264 4.340 0.003 0.000 0.234 549 R C 2.520 178.857 176.300 0.062 0.000 1.134 549 R CA 1.687 57.833 56.100 0.077 0.000 0.952 549 R CB -0.600 29.738 30.300 0.063 0.000 0.850 549 R HN 0.373 nan 8.270 nan 0.000 0.433 550 S N -0.408 115.319 115.700 0.045 0.000 2.370 550 S HA -0.228 4.244 4.470 0.003 0.000 0.226 550 S C 1.813 176.443 174.600 0.051 0.000 1.033 550 S CA 1.420 59.643 58.200 0.038 0.000 1.011 550 S CB -0.480 62.729 63.200 0.015 0.000 0.852 550 S HN 0.590 nan 8.310 nan 0.000 0.457 551 Y N 1.526 121.805 120.300 -0.034 0.000 2.163 551 Y HA -0.052 4.499 4.550 0.003 0.000 0.288 551 Y C 2.463 178.392 175.900 0.049 0.000 1.136 551 Y CA 2.134 60.245 58.100 0.018 0.000 1.147 551 Y CB -0.753 37.763 38.460 0.093 0.000 0.987 551 Y HN 0.333 nan 8.280 nan 0.000 0.509 552 Q N 0.179 119.974 119.800 -0.007 0.000 2.061 552 Q HA -0.230 4.112 4.340 0.003 0.000 0.204 552 Q C 2.160 178.106 176.000 -0.089 0.000 0.984 552 Q CA 2.298 58.063 55.803 -0.062 0.000 0.846 552 Q CB -0.148 28.629 28.738 0.064 0.000 0.902 552 Q HN 0.622 nan 8.270 nan 0.000 0.421 553 E N -0.144 120.039 120.200 -0.028 0.000 2.106 553 E HA -0.150 4.201 4.350 0.003 0.000 0.192 553 E C 2.157 178.772 176.600 0.024 0.000 0.984 553 E CA 1.146 57.548 56.400 0.004 0.000 0.806 553 E CB -0.022 29.698 29.700 0.033 0.000 0.750 553 E HN 0.338 nan 8.360 nan 0.000 0.458 554 S N 1.246 116.940 115.700 -0.011 0.000 2.382 554 S HA -0.151 4.320 4.470 0.003 0.000 0.228 554 S C 1.942 176.593 174.600 0.084 0.000 1.027 554 S CA 0.620 58.862 58.200 0.071 0.000 0.991 554 S CB -0.210 62.898 63.200 -0.152 0.000 0.823 554 S HN 0.134 nan 8.310 nan 0.000 0.469 555 R N 1.578 122.001 120.500 -0.128 0.000 2.096 555 R HA 0.072 4.414 4.340 0.003 0.000 0.235 555 R C 2.344 178.637 176.300 -0.012 0.000 1.127 555 R CA 1.359 57.397 56.100 -0.103 0.000 0.968 555 R CB -0.444 29.717 30.300 -0.232 0.000 0.861 555 R HN 0.555 nan 8.270 nan 0.000 0.440 556 K N 0.382 120.772 120.400 -0.015 0.000 2.076 556 K HA 0.048 4.370 4.320 0.003 0.000 0.204 556 K C 2.176 178.765 176.600 -0.017 0.000 1.051 556 K CA 1.058 57.337 56.287 -0.013 0.000 0.949 556 K CB -0.090 32.402 32.500 -0.014 0.000 0.726 556 K HN 0.084 nan 8.250 nan 0.000 0.443 557 A N 1.585 124.411 122.820 0.010 0.000 1.972 557 A HA -0.103 4.218 4.320 0.003 0.000 0.219 557 A C 2.337 179.820 177.584 -0.168 0.000 1.169 557 A CA 1.760 53.757 52.037 -0.067 0.000 0.635 557 A CB -0.623 18.376 19.000 -0.001 0.000 0.810 557 A HN 0.322 nan 8.150 nan 0.000 0.446 558 A N 0.057 122.897 122.820 0.033 0.000 1.858 558 A HA -0.089 4.232 4.320 0.003 0.000 0.216 558 A C 2.150 179.759 177.584 0.041 0.000 1.190 558 A CA 1.518 53.646 52.037 0.151 0.000 0.617 558 A CB -0.719 18.514 19.000 0.388 0.000 0.827 558 A HN 0.471 nan 8.150 nan 0.000 0.443 559 L N -0.476 120.761 121.223 0.023 0.000 2.043 559 L HA -0.228 4.114 4.340 0.003 0.000 0.212 559 L C 2.568 179.397 176.870 -0.068 0.000 1.075 559 L CA 1.494 56.328 54.840 -0.009 0.000 0.752 559 L CB -0.663 41.390 42.059 -0.010 0.000 0.891 559 L HN 0.288 nan 8.230 nan 0.000 0.432 560 V N -0.262 119.579 119.914 -0.121 0.000 2.283 560 V HA -0.227 3.894 4.120 0.003 0.000 0.243 560 V C 2.194 178.140 176.094 -0.247 0.000 1.039 560 V CA 1.784 63.990 62.300 -0.157 0.000 1.016 560 V CB -0.651 31.082 31.823 -0.149 0.000 0.650 560 V HN 0.461 nan 8.190 nan 0.000 0.449 561 N N 0.336 118.769 118.700 -0.445 0.000 2.149 561 N HA -0.128 4.614 4.740 0.003 0.000 0.188 561 N C 1.773 177.051 175.510 -0.386 0.000 1.019 561 N CA 1.382 53.996 53.050 -0.726 0.000 0.857 561 N CB -0.478 36.914 38.487 -1.824 0.000 0.997 561 N HN 0.386 nan 8.380 nan 0.000 0.426 562 L N 0.063 121.203 121.223 -0.138 0.000 2.056 562 L HA -0.053 4.289 4.340 0.003 0.000 0.207 562 L C 2.418 179.281 176.870 -0.011 0.000 1.078 562 L CA 1.331 56.211 54.840 0.066 0.000 0.749 562 L CB -0.751 41.383 42.059 0.125 0.000 0.901 562 L HN 0.212 nan 8.230 nan 0.000 0.433 563 G N -0.029 108.740 108.800 -0.052 0.000 2.408 563 G HA2 -0.176 3.786 3.960 0.003 0.000 0.217 563 G HA3 -0.176 3.786 3.960 0.003 0.000 0.217 563 G C 1.584 176.451 174.900 -0.054 0.000 1.150 563 G CA 0.517 45.585 45.100 -0.053 0.000 0.776 563 G HN 0.252 nan 8.290 nan 0.000 0.542 564 I N 1.227 121.750 120.570 -0.079 0.000 2.163 564 I HA -0.062 4.110 4.170 0.003 0.000 0.240 564 I C 3.133 179.243 176.117 -0.013 0.000 1.081 564 I CA 1.030 62.294 61.300 -0.060 0.000 1.353 564 I CB -0.584 37.348 38.000 -0.114 0.000 1.054 564 I HN 0.227 nan 8.210 nan 0.000 0.407 565 G N -0.154 108.626 108.800 -0.033 0.000 2.469 565 G HA2 -0.355 3.607 3.960 0.003 0.000 0.219 565 G HA3 -0.355 3.607 3.960 0.003 0.000 0.219 565 G C 1.792 176.724 174.900 0.054 0.000 1.150 565 G CA 1.326 46.453 45.100 0.045 0.000 0.763 565 G HN 0.419 nan 8.290 nan 0.000 0.561 566 S N -0.084 115.613 115.700 -0.004 0.000 2.355 566 S HA 0.010 4.482 4.470 0.003 0.000 0.222 566 S C 2.465 177.007 174.600 -0.097 0.000 1.031 566 S CA 1.130 59.290 58.200 -0.066 0.000 0.993 566 S CB -0.287 62.865 63.200 -0.080 0.000 0.859 566 S HN 0.329 nan 8.310 nan 0.000 0.453 567 L N -0.148 121.040 121.223 -0.058 0.000 2.042 567 L HA -0.054 4.288 4.340 0.003 0.000 0.210 567 L C 2.326 179.166 176.870 -0.050 0.000 1.076 567 L CA 1.697 56.494 54.840 -0.072 0.000 0.749 567 L CB -0.542 41.503 42.059 -0.023 0.000 0.893 567 L HN 0.386 nan 8.230 nan 0.000 0.432 568 F N 0.774 120.673 119.950 -0.084 0.000 2.146 568 F HA -0.210 4.319 4.527 0.004 0.000 0.298 568 F C 2.462 178.233 175.800 -0.048 0.000 1.096 568 F CA 1.783 59.756 58.000 -0.046 0.000 1.275 568 F CB -0.060 38.925 39.000 -0.026 0.000 1.008 568 F HN 0.090 nan 8.300 nan 0.000 0.480 569 T N -2.297 112.287 114.554 0.050 0.000 3.145 569 T HA 0.059 4.411 4.350 0.003 0.000 0.255 569 T C 1.696 176.272 174.700 -0.208 0.000 1.039 569 T CA 0.183 62.283 62.100 0.001 0.000 0.928 569 T CB -0.422 68.498 68.868 0.088 0.000 1.029 569 T HN 0.409 nan 8.240 nan 0.000 0.554 570 M N 0.745 120.123 119.600 -0.370 0.000 2.106 570 M HA 0.039 4.520 4.480 0.003 0.000 0.259 570 M C 0.170 176.009 176.300 -0.769 0.000 1.068 570 M CA 1.854 56.737 55.300 -0.695 0.000 1.100 570 M CB -0.216 31.731 32.600 -1.089 0.000 1.351 570 M HN 0.388 nan 8.290 nan 0.000 0.404 571 F N 0.338 120.229 119.950 -0.098 0.000 2.850 571 F HA 0.318 4.847 4.527 0.003 0.000 0.306 571 F C -0.140 175.625 175.800 -0.059 0.000 1.162 571 F CA -0.725 57.225 58.000 -0.083 0.000 1.327 571 F CB 0.088 39.042 39.000 -0.077 0.000 0.953 571 F HN 0.001 nan 8.300 nan 0.000 0.507 572 E N 1.094 121.313 120.200 0.031 0.000 2.249 572 E HA 0.320 4.672 4.350 0.003 0.000 0.280 572 E C 0.184 176.834 176.600 0.083 0.000 1.016 572 E CA -0.355 56.110 56.400 0.110 0.000 0.830 572 E CB 0.914 30.756 29.700 0.236 0.000 1.081 572 E HN 0.449 nan 8.360 nan 0.000 0.395 573 N N 3.439 122.227 118.700 0.146 0.000 2.419 573 N HA 0.085 4.827 4.740 0.003 0.000 0.264 573 N C -1.205 174.485 175.510 0.301 0.000 1.031 573 N CA -0.534 52.595 53.050 0.132 0.000 0.951 573 N CB 0.394 38.932 38.487 0.085 0.000 1.101 573 N HN 0.307 nan 8.380 nan 0.000 0.488 574 W N 1.448 122.698 121.300 -0.083 0.000 2.358 574 W HA 0.331 4.992 4.660 0.001 0.000 0.307 574 W C -0.109 176.362 176.519 -0.080 0.000 1.203 574 W CA -0.454 56.825 57.345 -0.110 0.000 1.279 574 W CB 0.888 30.226 29.460 -0.202 0.000 1.264 574 W HN 0.849 nan 8.180 nan 0.000 0.474 575 D N 0.110 120.543 120.400 0.056 0.000 2.503 575 D HA 0.118 4.759 4.640 0.003 0.000 0.218 575 D C 0.091 176.341 176.300 -0.084 0.000 1.183 575 D CA -0.116 53.880 54.000 -0.006 0.000 0.827 575 D CB 0.081 40.882 40.800 0.002 0.000 1.034 575 D HN 0.013 nan 8.370 nan 0.000 0.510 576 S N -1.551 114.069 115.700 -0.133 0.000 2.651 576 S HA 0.387 4.858 4.470 0.003 0.000 0.279 576 S C 0.153 174.700 174.600 -0.089 0.000 1.148 576 S CA -0.894 57.216 58.200 -0.151 0.000 0.837 576 S CB 0.571 63.733 63.200 -0.064 0.000 1.138 576 S HN -0.004 nan 8.310 nan 0.000 0.478 577 Y N 0.417 120.810 120.300 0.155 0.000 2.242 577 Y HA -0.081 4.472 4.550 0.004 0.000 0.291 577 Y C 1.961 177.996 175.900 0.226 0.000 1.137 577 Y CA 1.010 59.221 58.100 0.185 0.000 1.181 577 Y CB -0.142 38.525 38.460 0.344 0.000 0.989 577 Y HN 0.587 nan 8.280 nan 0.000 0.527 578 D N 0.105 120.725 120.400 0.366 0.000 2.310 578 D HA -0.136 4.506 4.640 0.003 0.000 0.212 578 D C 1.261 177.636 176.300 0.124 0.000 0.965 578 D CA 0.887 55.119 54.000 0.386 0.000 0.879 578 D CB -0.293 40.693 40.800 0.310 0.000 0.921 578 D HN 0.394 nan 8.370 nan 0.000 0.510 579 D N -0.339 119.893 120.400 -0.280 0.000 2.221 579 D HA -0.169 4.473 4.640 0.003 0.000 0.204 579 D C 1.666 177.350 176.300 -1.026 0.000 0.982 579 D CA 0.667 54.139 54.000 -0.881 0.000 0.857 579 D CB -0.333 39.393 40.800 -1.789 0.000 0.934 579 D HN 0.393 nan 8.370 nan 0.000 0.475 580 Y N 0.493 120.368 120.300 -0.709 0.000 2.352 580 Y HA -0.135 4.417 4.550 0.003 0.000 0.292 580 Y C 2.412 178.264 175.900 -0.080 0.000 1.136 580 Y CA 0.865 58.717 58.100 -0.412 0.000 1.227 580 Y CB -0.211 37.938 38.460 -0.518 0.000 0.991 580 Y HN 0.216 nan 8.280 nan 0.000 0.545 581 H N -0.995 118.225 119.070 0.250 0.000 2.460 581 H HA -0.183 4.374 4.556 0.003 0.000 0.297 581 H C 2.251 177.273 175.328 -0.510 0.000 1.103 581 H CA 1.645 57.641 56.048 -0.088 0.000 1.292 581 H CB -0.292 29.407 29.762 -0.105 0.000 1.376 581 H HN 0.344 nan 8.280 nan 0.000 0.531 582 I N 1.158 121.664 120.570 -0.106 0.000 2.454 582 I HA -0.212 3.959 4.170 0.003 0.000 0.254 582 I C 2.109 178.197 176.117 -0.047 0.000 1.156 582 I CA 0.951 62.203 61.300 -0.080 0.000 1.433 582 I CB -0.353 37.692 38.000 0.075 0.000 1.082 582 I HN 0.104 nan 8.210 nan 0.000 0.432 583 L N -0.541 120.707 121.223 0.041 0.000 2.376 583 L HA -0.132 4.209 4.340 0.003 0.000 0.219 583 L C 1.733 178.725 176.870 0.203 0.000 1.133 583 L CA 0.700 55.640 54.840 0.167 0.000 0.816 583 L CB -0.777 41.408 42.059 0.211 0.000 0.933 583 L HN 0.441 nan 8.230 nan 0.000 0.449 584 Y N -2.682 117.738 120.300 0.200 0.000 2.457 584 Y HA 0.260 4.812 4.550 0.003 0.000 0.263 584 Y C 2.284 178.365 175.900 0.300 0.000 1.164 584 Y CA -0.530 57.681 58.100 0.185 0.000 1.274 584 Y CB -0.565 37.962 38.460 0.112 0.000 1.097 584 Y HN -0.110 nan 8.280 nan 0.000 0.523 585 R N 1.754 122.329 120.500 0.126 0.000 2.119 585 R HA -0.052 4.289 4.340 0.003 0.000 0.222 585 R C 0.670 177.018 176.300 0.080 0.000 1.088 585 R CA 1.214 57.346 56.100 0.053 0.000 0.984 585 R CB -0.009 30.216 30.300 -0.125 0.000 0.884 585 R HN 0.506 nan 8.270 nan 0.000 0.447 586 N N -0.811 117.926 118.700 0.061 0.000 2.376 586 N HA -0.021 4.720 4.740 0.003 0.000 0.249 586 N C -1.348 173.961 175.510 -0.334 0.000 1.140 586 N CA -0.097 52.855 53.050 -0.163 0.000 0.870 586 N CB -0.031 38.285 38.487 -0.286 0.000 1.124 586 N HN 0.043 nan 8.380 nan 0.000 0.505 587 W N 0.298 121.564 121.300 -0.056 0.000 2.702 587 W HA 0.519 5.180 4.660 0.002 0.000 0.331 587 W C -0.094 176.410 176.519 -0.024 0.000 1.049 587 W CA -0.870 56.412 57.345 -0.106 0.000 1.230 587 W CB 1.165 30.580 29.460 -0.076 0.000 1.408 587 W HN -0.180 nan 8.180 nan 0.000 0.492 588 I N 5.023 125.689 120.570 0.159 0.000 2.311 588 I HA 0.059 4.231 4.170 0.003 0.000 0.297 588 I C 0.458 176.779 176.117 0.340 0.000 1.131 588 I CA 0.240 61.666 61.300 0.211 0.000 1.289 588 I CB -0.260 37.856 38.000 0.193 0.000 1.446 588 I HN 0.609 nan 8.210 nan 0.000 0.524 589 L N 4.287 125.682 121.223 0.287 0.000 2.766 589 L HA 0.297 4.639 4.340 0.003 0.000 0.242 589 L C 1.350 178.339 176.870 0.197 0.000 1.136 589 L CA 0.156 55.158 54.840 0.270 0.000 0.933 589 L CB 0.380 42.568 42.059 0.215 0.000 1.241 589 L HN 0.856 nan 8.230 nan 0.000 0.522 590 G N 0.253 109.158 108.800 0.175 0.000 2.142 590 G HA2 0.017 3.978 3.960 0.003 0.000 0.225 590 G HA3 0.017 3.978 3.960 0.003 0.000 0.225 590 G C 0.434 175.397 174.900 0.104 0.000 1.015 590 G CA -0.070 45.114 45.100 0.139 0.000 0.716 590 G HN 0.792 nan 8.290 nan 0.000 0.508 591 G N -2.002 106.857 108.800 0.099 0.000 2.528 591 G HA2 0.443 4.405 3.960 0.003 0.000 0.681 591 G HA3 0.443 4.405 3.960 0.003 0.000 0.681 591 G C -0.210 174.714 174.900 0.041 0.000 1.340 591 G CA 0.104 45.245 45.100 0.068 0.000 0.855 591 G HN 1.361 nan 8.290 nan 0.000 0.649 592 T N 3.545 118.116 114.554 0.027 0.000 2.905 592 T HA 0.336 4.688 4.350 0.003 0.000 0.299 592 T C -1.777 172.830 174.700 -0.154 0.000 1.024 592 T CA 0.525 62.587 62.100 -0.062 0.000 1.151 592 T CB 0.456 69.340 68.868 0.027 0.000 0.987 592 T HN 0.473 nan 8.240 nan 0.000 0.535 593 P HA -0.013 nan 4.420 nan 0.000 0.261 593 P C 0.923 178.153 177.300 -0.117 0.000 1.173 593 P CA 0.080 63.058 63.100 -0.204 0.000 0.760 593 P CB 0.197 31.717 31.700 -0.300 0.000 0.783 594 N N 3.130 121.802 118.700 -0.047 0.000 2.573 594 N HA -0.109 4.632 4.740 0.003 0.000 0.187 594 N C 0.699 176.153 175.510 -0.094 0.000 1.107 594 N CA 0.487 53.500 53.050 -0.062 0.000 0.918 594 N CB -0.192 38.277 38.487 -0.031 0.000 0.966 594 N HN 0.297 nan 8.380 nan 0.000 0.448 595 M N -0.008 119.572 119.600 -0.034 0.000 2.371 595 M HA 0.246 4.728 4.480 0.003 0.000 0.246 595 M C 1.942 178.302 176.300 0.100 0.000 1.103 595 M CA -0.101 55.210 55.300 0.018 0.000 1.010 595 M CB -0.070 32.587 32.600 0.095 0.000 1.457 595 M HN 0.266 nan 8.290 nan 0.000 0.486 596 A N 1.668 124.490 122.820 0.003 0.000 1.940 596 A HA -0.184 4.138 4.320 0.003 0.000 0.219 596 A C 1.590 179.217 177.584 0.072 0.000 1.176 596 A CA 2.222 54.208 52.037 -0.085 0.000 0.631 596 A CB -0.621 18.350 19.000 -0.050 0.000 0.814 596 A HN 0.572 nan 8.150 nan 0.000 0.446 597 D N -1.074 119.363 120.400 0.061 0.000 2.340 597 D HA -0.045 4.597 4.640 0.003 0.000 0.220 597 D C 1.160 177.531 176.300 0.118 0.000 1.039 597 D CA 0.697 54.744 54.000 0.079 0.000 0.866 597 D CB -0.242 40.540 40.800 -0.030 0.000 0.913 597 D HN 0.723 nan 8.370 nan 0.000 0.523 598 R N -0.349 120.202 120.500 0.086 0.000 2.504 598 R HA 0.113 4.454 4.340 0.003 0.000 0.396 598 R C 1.223 177.459 176.300 -0.108 0.000 0.896 598 R CA -0.557 55.446 56.100 -0.161 0.000 1.152 598 R CB -1.269 28.744 30.300 -0.478 0.000 1.681 598 R HN 0.142 nan 8.270 nan 0.000 0.537 599 W N 2.397 123.767 121.300 0.118 0.000 2.392 599 W HA -0.109 4.552 4.660 0.002 0.000 0.279 599 W C 0.900 177.533 176.519 0.189 0.000 1.225 599 W CA 1.415 58.878 57.345 0.197 0.000 1.233 599 W CB -0.857 28.794 29.460 0.318 0.000 1.122 599 W HN 0.250 nan 8.180 nan 0.000 0.561 600 H N 0.514 118.939 119.070 -1.074 0.000 2.535 600 H HA 0.217 4.775 4.556 0.003 0.000 0.273 600 H C -0.423 174.638 175.328 -0.445 0.000 0.983 600 H CA 0.428 55.728 56.048 -1.247 0.000 1.238 600 H CB -0.693 28.107 29.762 -1.603 0.000 1.412 600 H HN 0.182 nan 8.280 nan 0.000 0.562 601 E N 2.195 122.036 120.200 -0.599 0.000 2.259 601 E HA 0.008 4.360 4.350 0.003 0.000 0.281 601 E C 0.094 176.709 176.600 0.025 0.000 1.037 601 E CA -0.457 55.806 56.400 -0.229 0.000 0.854 601 E CB 1.151 30.770 29.700 -0.135 0.000 1.051 601 E HN 0.155 nan 8.360 nan 0.000 0.409 602 D N 2.289 122.722 120.400 0.055 0.000 2.170 602 D HA -0.246 4.395 4.640 0.003 0.000 0.193 602 D C 1.744 178.161 176.300 0.195 0.000 1.004 602 D CA 1.207 55.315 54.000 0.181 0.000 0.860 602 D CB 0.026 40.931 40.800 0.175 0.000 0.931 602 D HN 0.359 nan 8.370 nan 0.000 0.448 603 R N 0.054 120.550 120.500 -0.007 0.000 2.083 603 R HA -0.157 4.185 4.340 0.003 0.000 0.237 603 R C 2.188 178.320 176.300 -0.279 0.000 1.137 603 R CA 1.392 57.342 56.100 -0.249 0.000 0.951 603 R CB -0.812 29.141 30.300 -0.579 0.000 0.851 603 R HN 0.351 nan 8.270 nan 0.000 0.434 604 W N -0.595 120.745 121.300 0.067 0.000 2.576 604 W HA -0.004 4.657 4.660 0.002 0.000 0.270 604 W C 2.035 178.692 176.519 0.230 0.000 1.255 604 W CA -0.104 57.289 57.345 0.081 0.000 1.314 604 W CB -0.541 28.893 29.460 -0.043 0.000 1.101 604 W HN 0.048 nan 8.180 nan 0.000 0.595 605 F N 1.239 121.360 119.950 0.284 0.000 2.095 605 F HA -0.130 4.399 4.527 0.003 0.000 0.298 605 F C 2.212 178.276 175.800 0.440 0.000 1.104 605 F CA 2.355 60.529 58.000 0.290 0.000 1.232 605 F CB -0.748 38.380 39.000 0.214 0.000 0.987 605 F HN -0.139 nan 8.300 nan 0.000 0.475 606 G N -1.828 107.289 108.800 0.528 0.000 2.430 606 G HA2 -0.305 3.656 3.960 0.003 0.000 0.216 606 G HA3 -0.305 3.656 3.960 0.003 0.000 0.216 606 G C 1.505 176.582 174.900 0.295 0.000 1.146 606 G CA 0.611 46.024 45.100 0.521 0.000 0.793 606 G HN 0.525 nan 8.290 nan 0.000 0.537 607 Y N 1.188 121.543 120.300 0.091 0.000 2.256 607 Y HA -0.174 4.377 4.550 0.003 0.000 0.288 607 Y C 2.775 178.701 175.900 0.043 0.000 1.155 607 Y CA 2.110 60.227 58.100 0.028 0.000 1.203 607 Y CB 0.052 38.564 38.460 0.086 0.000 0.980 607 Y HN 0.283 nan 8.280 nan 0.000 0.530 608 Q N -1.313 118.533 119.800 0.076 0.000 2.378 608 Q HA -0.081 4.260 4.340 0.003 0.000 0.205 608 Q C 1.629 177.422 176.000 -0.344 0.000 0.954 608 Q CA 0.729 56.474 55.803 -0.098 0.000 0.901 608 Q CB -0.159 28.511 28.738 -0.113 0.000 0.981 608 Q HN 0.521 nan 8.270 nan 0.000 0.483 609 F N -0.187 119.595 119.950 -0.281 0.000 2.502 609 F HA -0.109 4.419 4.527 0.002 0.000 0.298 609 F C 1.655 177.204 175.800 -0.420 0.000 1.111 609 F CA 0.869 58.644 58.000 -0.375 0.000 1.445 609 F CB 0.193 38.832 39.000 -0.601 0.000 1.081 609 F HN 0.045 nan 8.300 nan 0.000 0.558 610 L N -1.215 119.809 121.223 -0.331 0.000 2.362 610 L HA 0.081 4.423 4.340 0.003 0.000 0.204 610 L C 1.168 177.964 176.870 -0.123 0.000 1.060 610 L CA 0.627 55.186 54.840 -0.468 0.000 0.827 610 L CB -0.128 41.504 42.059 -0.712 0.000 1.027 610 L HN -0.003 nan 8.230 nan 0.000 0.474 611 N N -0.294 118.257 118.700 -0.248 0.000 2.194 611 N HA 0.149 4.891 4.740 0.003 0.000 0.231 611 N C 0.580 176.227 175.510 0.229 0.000 1.247 611 N CA 0.237 53.238 53.050 -0.082 0.000 0.884 611 N CB 1.483 39.796 38.487 -0.291 0.000 1.146 611 N HN 0.161 nan 8.380 nan 0.000 0.516 612 G N 0.318 109.154 108.800 0.060 0.000 2.582 612 G HA2 0.443 4.404 3.960 0.003 0.000 0.232 612 G HA3 0.443 4.404 3.960 0.003 0.000 0.232 612 G C 0.909 175.723 174.900 -0.142 0.000 1.458 612 G CA 0.316 45.465 45.100 0.082 0.000 1.062 612 G HN 0.095 nan 8.290 nan 0.000 0.566 613 A N -1.242 121.231 122.820 -0.580 0.000 2.067 613 A HA 0.117 4.439 4.320 0.003 0.000 0.217 613 A C 1.452 178.679 177.584 -0.596 0.000 1.156 613 A CA 0.837 52.388 52.037 -0.811 0.000 0.683 613 A CB -0.213 17.837 19.000 -1.582 0.000 0.808 613 A HN 0.530 nan 8.150 nan 0.000 0.455 614 N N 0.137 118.546 118.700 -0.484 0.000 2.696 614 N HA 0.150 4.892 4.740 0.003 0.000 0.308 614 N C -2.591 172.840 175.510 -0.132 0.000 1.915 614 N CA -1.032 51.915 53.050 -0.172 0.000 0.906 614 N CB 0.953 39.395 38.487 -0.074 0.000 1.284 614 N HN 0.128 nan 8.380 nan 0.000 0.488 615 P HA 0.045 nan 4.420 nan 0.000 0.258 615 P C 0.931 178.193 177.300 -0.062 0.000 1.559 615 P CA 0.302 63.281 63.100 -0.202 0.000 0.855 615 P CB -0.074 31.331 31.700 -0.492 0.000 1.594 616 V N -4.359 115.563 119.914 0.013 0.000 3.548 616 V HA 0.258 4.379 4.120 0.003 0.000 0.279 616 V C 1.597 177.750 176.094 0.099 0.000 1.446 616 V CA 0.170 62.533 62.300 0.105 0.000 1.023 616 V CB -0.257 31.655 31.823 0.147 0.000 0.820 616 V HN 0.055 nan 8.190 nan 0.000 0.438 617 I N -0.000 120.581 120.570 0.019 0.000 3.708 617 I HA 0.362 4.534 4.170 0.003 0.000 0.302 617 I C 0.898 176.945 176.117 -0.116 0.000 1.255 617 I CA -0.161 61.071 61.300 -0.112 0.000 1.362 617 I CB 0.898 38.632 38.000 -0.442 0.000 1.100 617 I HN 0.347 nan 8.210 nan 0.000 0.434 618 L N 2.044 123.214 121.223 -0.089 0.000 2.540 618 L HA 0.102 4.444 4.340 0.003 0.000 0.276 618 L C -0.401 176.460 176.870 -0.016 0.000 1.212 618 L CA 1.306 56.074 54.840 -0.119 0.000 0.893 618 L CB 0.530 42.440 42.059 -0.250 0.000 1.138 618 L HN 0.071 nan 8.230 nan 0.000 0.491 619 T N 5.013 119.594 114.554 0.045 0.000 2.906 619 T HA 0.388 4.739 4.350 0.003 0.000 0.295 619 T C -0.472 174.339 174.700 0.184 0.000 1.061 619 T CA -0.757 61.407 62.100 0.106 0.000 1.000 619 T CB 1.498 70.392 68.868 0.044 0.000 1.103 619 T HN 0.583 nan 8.240 nan 0.000 0.486 620 R N 0.692 121.279 120.500 0.144 0.000 2.570 620 R HA 0.216 4.558 4.340 0.003 0.000 0.277 620 R C -0.308 175.907 176.300 -0.142 0.000 1.039 620 R CA -0.143 55.860 56.100 -0.162 0.000 1.065 620 R CB 0.030 30.258 30.300 -0.119 0.000 0.964 620 R HN 0.660 nan 8.270 nan 0.000 0.428 621 C N 5.657 124.824 119.300 -0.221 0.000 2.225 621 C HA 0.216 4.678 4.460 0.003 0.000 0.328 621 C C 0.666 175.594 174.990 -0.102 0.000 1.187 621 C CA -0.763 58.204 59.018 -0.085 0.000 1.665 621 C CB -0.324 27.404 27.740 -0.021 0.000 2.253 621 C HN 0.831 nan 8.230 nan 0.000 0.497 622 D N 3.023 123.386 120.400 -0.061 0.000 2.305 622 D HA 0.240 4.882 4.640 0.003 0.000 0.206 622 D C 0.565 176.846 176.300 -0.031 0.000 0.974 622 D CA 0.914 54.882 54.000 -0.053 0.000 0.871 622 D CB 0.504 41.281 40.800 -0.039 0.000 0.947 622 D HN 0.756 nan 8.370 nan 0.000 0.516 623 A N 0.263 123.075 122.820 -0.012 0.000 2.577 623 A HA 0.356 4.677 4.320 0.003 0.000 0.297 623 A C -1.161 176.440 177.584 0.028 0.000 1.060 623 A CA -0.676 51.361 52.037 -0.000 0.000 0.697 623 A CB 0.984 19.984 19.000 -0.001 0.000 1.281 623 A HN -0.059 nan 8.150 nan 0.000 0.402 624 L N 2.533 123.774 121.223 0.029 0.000 2.559 624 L HA 0.189 4.531 4.340 0.003 0.000 0.274 624 L C -1.767 175.164 176.870 0.102 0.000 1.205 624 L CA -0.467 54.416 54.840 0.072 0.000 0.907 624 L CB -0.510 41.552 42.059 0.006 0.000 1.153 624 L HN 0.479 nan 8.230 nan 0.000 0.490 625 P HA -0.045 nan 4.420 nan 0.000 0.264 625 P C 0.780 178.167 177.300 0.146 0.000 1.173 625 P CA 0.225 63.417 63.100 0.152 0.000 0.761 625 P CB 0.511 32.331 31.700 0.200 0.000 0.794 626 S N 1.644 117.402 115.700 0.096 0.000 2.436 626 S HA -0.149 4.322 4.470 0.003 0.000 0.228 626 S C 1.128 175.783 174.600 0.092 0.000 1.014 626 S CA 0.995 59.239 58.200 0.072 0.000 0.950 626 S CB -1.061 62.167 63.200 0.046 0.000 0.784 626 S HN 0.668 nan 8.310 nan 0.000 0.504 627 N N -0.461 118.309 118.700 0.116 0.000 2.449 627 N HA 0.080 4.821 4.740 0.003 0.000 0.191 627 N C -0.237 175.403 175.510 0.216 0.000 1.161 627 N CA -0.181 52.942 53.050 0.122 0.000 0.863 627 N CB -0.109 38.429 38.487 0.084 0.000 0.980 627 N HN 0.362 nan 8.380 nan 0.000 0.458 628 F N 1.832 121.795 119.950 0.021 0.000 2.660 628 F HA 0.449 4.977 4.527 0.002 0.000 0.352 628 F C -2.683 173.128 175.800 0.018 0.000 1.257 628 F CA -3.411 54.602 58.000 0.021 0.000 1.200 628 F CB 1.408 40.428 39.000 0.033 0.000 1.473 628 F HN -0.012 nan 8.300 nan 0.000 0.561 629 P HA 0.110 nan 4.420 nan 0.000 0.218 629 P C -0.444 176.804 177.300 -0.087 0.000 1.793 629 P CA 0.247 63.323 63.100 -0.040 0.000 0.941 629 P CB 0.299 32.011 31.700 0.020 0.000 1.919 630 V N 1.480 121.237 119.914 -0.262 0.000 2.498 630 V HA 0.273 4.395 4.120 0.003 0.000 0.279 630 V C 1.259 177.347 176.094 -0.009 0.000 1.048 630 V CA 0.109 62.312 62.300 -0.162 0.000 0.967 630 V CB 1.090 32.614 31.823 -0.497 0.000 0.988 630 V HN 0.390 nan 8.190 nan 0.000 0.473 631 T N 0.866 115.510 114.554 0.149 0.000 2.949 631 T HA 0.318 4.670 4.350 0.003 0.000 0.287 631 T C 0.953 175.588 174.700 -0.108 0.000 1.034 631 T CA -0.861 61.184 62.100 -0.092 0.000 1.018 631 T CB 1.227 69.933 68.868 -0.270 0.000 1.135 631 T HN 0.461 nan 8.240 nan 0.000 0.532 632 N N 0.741 119.367 118.700 -0.124 0.000 2.258 632 N HA -0.128 4.614 4.740 0.003 0.000 0.187 632 N C 1.401 176.830 175.510 -0.135 0.000 1.012 632 N CA 1.298 54.278 53.050 -0.118 0.000 0.870 632 N CB -0.249 38.173 38.487 -0.108 0.000 0.977 632 N HN 0.694 nan 8.380 nan 0.000 0.434 633 E N -0.080 120.003 120.200 -0.194 0.000 2.112 633 E HA -0.051 4.301 4.350 0.003 0.000 0.190 633 E C 1.765 178.262 176.600 -0.171 0.000 0.979 633 E CA 0.567 56.842 56.400 -0.208 0.000 0.814 633 E CB -0.195 29.350 29.700 -0.259 0.000 0.762 633 E HN 0.430 nan 8.360 nan 0.000 0.460 634 H N -0.628 118.377 119.070 -0.108 0.000 2.387 634 H HA -0.072 4.486 4.556 0.003 0.000 0.299 634 H C 1.828 177.104 175.328 -0.087 0.000 1.099 634 H CA 1.849 57.836 56.048 -0.102 0.000 1.315 634 H CB -0.053 29.635 29.762 -0.123 0.000 1.380 634 H HN 0.235 nan 8.280 nan 0.000 0.513 635 V N -0.624 119.297 119.914 0.013 0.000 3.398 635 V HA 0.078 4.200 4.120 0.003 0.000 0.298 635 V C 1.630 177.670 176.094 -0.090 0.000 1.496 635 V CA 0.298 62.583 62.300 -0.025 0.000 1.044 635 V CB 0.135 31.925 31.823 -0.055 0.000 0.880 635 V HN 0.343 nan 8.190 nan 0.000 0.443 636 N N 3.098 121.724 118.700 -0.123 0.000 2.272 636 N HA -0.155 4.587 4.740 0.003 0.000 0.185 636 N C 1.637 177.050 175.510 -0.161 0.000 1.014 636 N CA 1.985 54.946 53.050 -0.147 0.000 0.870 636 N CB -0.140 38.267 38.487 -0.133 0.000 0.975 636 N HN 0.621 nan 8.380 nan 0.000 0.433 637 A N 0.351 123.038 122.820 -0.221 0.000 2.070 637 A HA -0.003 4.319 4.320 0.003 0.000 0.220 637 A C 2.290 179.800 177.584 -0.123 0.000 1.159 637 A CA 1.340 53.184 52.037 -0.321 0.000 0.656 637 A CB -0.428 18.085 19.000 -0.812 0.000 0.800 637 A HN 0.427 nan 8.150 nan 0.000 0.453 638 S N -0.815 114.893 115.700 0.013 0.000 2.486 638 S HA 0.265 4.737 4.470 0.003 0.000 0.220 638 S C 0.612 175.186 174.600 -0.044 0.000 1.011 638 S CA -0.192 58.057 58.200 0.082 0.000 0.921 638 S CB -0.192 63.063 63.200 0.092 0.000 0.785 638 S HN 0.466 nan 8.310 nan 0.000 0.517 639 L N 2.565 123.661 121.223 -0.212 0.000 2.418 639 L HA 0.319 4.661 4.340 0.003 0.000 0.265 639 L C 0.642 177.468 176.870 -0.074 0.000 1.143 639 L CA -0.215 54.397 54.840 -0.381 0.000 0.809 639 L CB 0.392 42.194 42.059 -0.428 0.000 1.124 639 L HN 0.190 nan 8.230 nan 0.000 0.456 640 D N -0.308 120.134 120.400 0.069 0.000 2.682 640 D HA 0.005 4.646 4.640 0.003 0.000 0.291 640 D C 0.786 177.146 176.300 0.101 0.000 1.585 640 D CA -0.311 53.744 54.000 0.092 0.000 0.845 640 D CB 0.149 41.016 40.800 0.112 0.000 1.323 640 D HN 0.397 nan 8.370 nan 0.000 0.438 641 R N 0.469 121.046 120.500 0.129 0.000 2.468 641 R HA 0.394 4.736 4.340 0.003 0.000 0.280 641 R C 1.067 177.405 176.300 0.063 0.000 0.963 641 R CA 0.481 56.645 56.100 0.106 0.000 1.083 641 R CB 0.584 30.984 30.300 0.166 0.000 1.200 641 R HN 0.205 nan 8.270 nan 0.000 0.541 642 G N 1.768 110.587 108.800 0.031 0.000 2.160 642 G HA2 -0.311 3.651 3.960 0.003 0.000 0.251 642 G HA3 -0.311 3.651 3.960 0.003 0.000 0.251 642 G C -0.218 174.685 174.900 0.004 0.000 1.008 642 G CA 0.356 45.462 45.100 0.009 0.000 0.724 642 G HN 0.259 nan 8.290 nan 0.000 0.514 643 K N 0.033 120.435 120.400 0.003 0.000 2.435 643 K HA 0.377 4.699 4.320 0.003 0.000 0.251 643 K C 0.565 177.138 176.600 -0.045 0.000 0.954 643 K CA -0.551 55.733 56.287 -0.006 0.000 0.820 643 K CB 1.678 34.196 32.500 0.031 0.000 1.292 643 K HN 0.397 nan 8.250 nan 0.000 0.436 644 N N 0.770 119.440 118.700 -0.050 0.000 2.381 644 N HA 0.047 4.789 4.740 0.003 0.000 0.289 644 N C 0.841 176.300 175.510 -0.085 0.000 1.288 644 N CA -0.657 52.347 53.050 -0.077 0.000 0.960 644 N CB 0.528 38.974 38.487 -0.069 0.000 1.116 644 N HN 0.328 nan 8.380 nan 0.000 0.557 645 L N 0.249 121.416 121.223 -0.093 0.000 2.005 645 L HA -0.101 4.241 4.340 0.003 0.000 0.207 645 L C 1.659 178.494 176.870 -0.058 0.000 1.072 645 L CA 1.821 56.607 54.840 -0.090 0.000 0.744 645 L CB -1.083 40.920 42.059 -0.092 0.000 0.895 645 L HN 0.547 nan 8.230 nan 0.000 0.433 646 D N -0.256 120.111 120.400 -0.055 0.000 2.182 646 D HA -0.215 4.427 4.640 0.003 0.000 0.201 646 D C 1.910 178.189 176.300 -0.035 0.000 0.986 646 D CA 1.650 55.624 54.000 -0.044 0.000 0.847 646 D CB 0.008 40.782 40.800 -0.043 0.000 0.942 646 D HN 0.620 nan 8.370 nan 0.000 0.467 647 E N 0.516 120.698 120.200 -0.030 0.000 2.112 647 E HA -0.097 4.255 4.350 0.003 0.000 0.190 647 E C 1.983 178.582 176.600 -0.002 0.000 0.979 647 E CA 0.440 56.830 56.400 -0.017 0.000 0.814 647 E CB 0.128 29.822 29.700 -0.011 0.000 0.762 647 E HN 0.200 nan 8.360 nan 0.000 0.460 648 E N 0.901 121.111 120.200 0.018 0.000 2.106 648 E HA -0.123 4.229 4.350 0.003 0.000 0.192 648 E C 2.169 178.786 176.600 0.029 0.000 0.984 648 E CA 0.543 56.995 56.400 0.087 0.000 0.806 648 E CB -0.091 29.699 29.700 0.149 0.000 0.750 648 E HN 0.343 nan 8.360 nan 0.000 0.458 649 I N 1.055 121.619 120.570 -0.011 0.000 2.127 649 I HA -0.327 3.845 4.170 0.003 0.000 0.241 649 I C 2.482 178.551 176.117 -0.079 0.000 1.075 649 I CA 1.374 62.644 61.300 -0.050 0.000 1.334 649 I CB -0.230 37.742 38.000 -0.045 0.000 1.040 649 I HN -0.012 nan 8.210 nan 0.000 0.405 650 K N -0.288 120.075 120.400 -0.062 0.000 2.097 650 K HA -0.226 4.095 4.320 0.003 0.000 0.206 650 K C 1.482 178.024 176.600 -0.096 0.000 1.049 650 K CA 1.610 57.857 56.287 -0.067 0.000 0.933 650 K CB -0.660 31.812 32.500 -0.046 0.000 0.717 650 K HN 0.434 nan 8.250 nan 0.000 0.442 651 D N -1.352 118.976 120.400 -0.119 0.000 2.349 651 D HA 0.113 4.755 4.640 0.003 0.000 0.224 651 D C 0.754 176.797 176.300 -0.428 0.000 1.029 651 D CA 0.858 54.724 54.000 -0.223 0.000 0.879 651 D CB 0.218 40.911 40.800 -0.179 0.000 0.906 651 D HN 0.437 nan 8.370 nan 0.000 0.528 652 G N 0.545 109.170 108.800 -0.292 0.000 2.248 652 G HA2 -0.303 3.659 3.960 0.003 0.000 0.263 652 G HA3 -0.303 3.659 3.960 0.003 0.000 0.263 652 G C 0.260 175.065 174.900 -0.158 0.000 1.082 652 G CA 0.079 45.026 45.100 -0.255 0.000 0.863 652 G HN 0.585 nan 8.290 nan 0.000 0.495 653 H N -1.083 118.017 119.070 0.050 0.000 2.674 653 H HA 0.361 4.919 4.556 0.003 0.000 0.274 653 H C 0.531 176.005 175.328 0.244 0.000 1.121 653 H CA -0.672 55.510 56.048 0.224 0.000 1.132 653 H CB 0.807 30.700 29.762 0.219 0.000 1.606 653 H HN 0.314 nan 8.280 nan 0.000 0.558 654 I N 1.455 122.009 120.570 -0.026 0.000 2.418 654 I HA 0.217 4.388 4.170 0.003 0.000 0.287 654 I C -0.902 174.988 176.117 -0.378 0.000 1.008 654 I CA -0.625 60.675 61.300 0.001 0.000 1.104 654 I CB 0.870 38.898 38.000 0.045 0.000 1.264 654 I HN 0.101 nan 8.210 nan 0.000 0.438 655 Y N 5.832 126.240 120.300 0.180 0.000 2.536 655 Y HA 0.670 5.222 4.550 0.003 0.000 0.347 655 Y C -0.107 175.926 175.900 0.221 0.000 1.000 655 Y CA -0.785 57.391 58.100 0.126 0.000 1.051 655 Y CB 2.964 41.438 38.460 0.023 0.000 1.259 655 Y HN 0.458 nan 8.280 nan 0.000 0.468 656 I N 2.444 123.171 120.570 0.261 0.000 2.865 656 I HA 0.763 4.935 4.170 0.003 0.000 0.302 656 I C -1.554 174.630 176.117 0.111 0.000 1.140 656 I CA -1.174 60.282 61.300 0.260 0.000 1.021 656 I CB 1.934 40.056 38.000 0.203 0.000 1.233 656 I HN 0.471 nan 8.210 nan 0.000 0.427 657 V N 2.125 122.107 119.914 0.113 0.000 2.604 657 V HA 0.687 4.809 4.120 0.003 0.000 0.305 657 V C -1.360 174.660 176.094 -0.123 0.000 1.043 657 V CA -0.359 61.897 62.300 -0.075 0.000 0.888 657 V CB 1.662 33.443 31.823 -0.071 0.000 0.995 657 V HN 0.734 nan 8.190 nan 0.000 0.429 658 D N 3.191 123.422 120.400 -0.282 0.000 2.469 658 D HA 0.440 5.082 4.640 0.003 0.000 0.251 658 D C -0.445 175.677 176.300 -0.296 0.000 1.173 658 D CA -0.507 53.374 54.000 -0.199 0.000 0.882 658 D CB 1.383 42.114 40.800 -0.115 0.000 1.129 658 D HN 0.517 nan 8.370 nan 0.000 0.549 659 F N 2.603 122.526 119.950 -0.045 0.000 2.701 659 F HA 0.198 4.727 4.527 0.004 0.000 0.295 659 F C 2.256 178.114 175.800 0.098 0.000 1.165 659 F CA -0.250 57.755 58.000 0.010 0.000 1.399 659 F CB 0.218 39.232 39.000 0.023 0.000 0.996 659 F HN 0.308 nan 8.300 nan 0.000 0.513 660 K N 0.413 120.910 120.400 0.161 0.000 2.097 660 K HA -0.285 4.037 4.320 0.003 0.000 0.214 660 K C 2.313 179.034 176.600 0.201 0.000 1.052 660 K CA 1.920 58.290 56.287 0.139 0.000 0.932 660 K CB -0.574 31.973 32.500 0.077 0.000 0.716 660 K HN 0.273 nan 8.250 nan 0.000 0.455 661 V N 1.451 121.523 119.914 0.263 0.000 2.439 661 V HA -0.245 3.876 4.120 0.003 0.000 0.253 661 V C 1.925 178.295 176.094 0.459 0.000 1.074 661 V CA 1.859 64.360 62.300 0.334 0.000 1.076 661 V CB -0.206 31.862 31.823 0.408 0.000 0.664 661 V HN 0.366 nan 8.190 nan 0.000 0.461 662 L N -0.220 121.289 121.223 0.477 0.000 2.610 662 L HA 0.060 4.402 4.340 0.003 0.000 0.232 662 L C 0.740 177.734 176.870 0.207 0.000 1.149 662 L CA -0.147 54.903 54.840 0.349 0.000 0.872 662 L CB -0.050 42.150 42.059 0.236 0.000 0.992 662 L HN 0.136 nan 8.230 nan 0.000 0.447 663 V N 0.672 120.693 119.914 0.179 0.000 2.599 663 V HA 0.169 4.291 4.120 0.003 0.000 0.300 663 V C 1.356 177.510 176.094 0.099 0.000 1.034 663 V CA 1.137 63.495 62.300 0.097 0.000 1.115 663 V CB 0.535 32.402 31.823 0.074 0.000 0.934 663 V HN 0.614 nan 8.190 nan 0.000 0.485 664 G N 3.601 112.432 108.800 0.053 0.000 2.175 664 G HA2 -0.112 3.850 3.960 0.003 0.000 0.244 664 G HA3 -0.112 3.850 3.960 0.003 0.000 0.244 664 G C 0.418 175.369 174.900 0.085 0.000 0.982 664 G CA 0.134 45.269 45.100 0.058 0.000 0.641 664 G HN 1.504 nan 8.290 nan 0.000 0.527 665 A N -0.074 122.808 122.820 0.104 0.000 2.425 665 A HA 0.647 4.968 4.320 0.003 0.000 0.249 665 A C 0.429 178.078 177.584 0.109 0.000 1.084 665 A CA 1.044 53.154 52.037 0.122 0.000 0.781 665 A CB 0.559 19.599 19.000 0.066 0.000 1.019 665 A HN 1.081 nan 8.150 nan 0.000 0.490 666 K N 1.936 122.401 120.400 0.107 0.000 2.263 666 K HA 0.471 4.792 4.320 0.003 0.000 0.272 666 K C -0.627 176.025 176.600 0.086 0.000 1.033 666 K CA -0.016 56.328 56.287 0.095 0.000 0.884 666 K CB 0.864 33.407 32.500 0.071 0.000 1.107 666 K HN 0.489 nan 8.250 nan 0.000 0.460 667 S N 3.253 118.996 115.700 0.073 0.000 2.616 667 S HA 0.192 4.664 4.470 0.003 0.000 0.277 667 S C -0.810 173.804 174.600 0.023 0.000 1.234 667 S CA -0.626 57.597 58.200 0.039 0.000 1.028 667 S CB 0.192 63.368 63.200 -0.039 0.000 0.988 667 S HN 0.567 nan 8.310 nan 0.000 0.522 668 Y N 1.536 121.793 120.300 -0.071 0.000 2.904 668 Y HA 0.195 4.747 4.550 0.002 0.000 0.336 668 Y C 1.548 177.379 175.900 -0.115 0.000 1.263 668 Y CA 2.048 60.103 58.100 -0.075 0.000 1.547 668 Y CB -0.042 38.369 38.460 -0.082 0.000 1.272 668 Y HN 0.981 nan 8.280 nan 0.000 0.596 669 G N 2.017 110.673 108.800 -0.240 0.000 2.217 669 G HA2 -0.140 3.822 3.960 0.003 0.000 0.246 669 G HA3 -0.140 3.822 3.960 0.003 0.000 0.246 669 G C 0.916 175.744 174.900 -0.120 0.000 0.990 669 G CA 0.603 45.631 45.100 -0.121 0.000 0.627 669 G HN 2.043 nan 8.290 nan 0.000 0.522 670 G N -1.342 107.385 108.800 -0.121 0.000 2.380 670 G HA2 -0.005 3.957 3.960 0.003 0.000 0.197 670 G HA3 -0.005 3.957 3.960 0.003 0.000 0.197 670 G C -1.582 173.298 174.900 -0.034 0.000 1.001 670 G CA 0.329 45.386 45.100 -0.072 0.000 0.668 670 G HN 0.981 nan 8.290 nan 0.000 0.483 671 P HA 0.457 nan 4.420 nan 0.000 0.263 671 P C -0.113 177.313 177.300 0.211 0.000 1.195 671 P CA 0.210 63.337 63.100 0.045 0.000 0.762 671 P CB 1.442 32.941 31.700 -0.334 0.000 0.799 672 V N 5.485 125.534 119.914 0.225 0.000 2.370 672 V HA 0.199 4.321 4.120 0.003 0.000 0.283 672 V C 0.337 176.463 176.094 0.053 0.000 1.023 672 V CA -0.784 61.604 62.300 0.146 0.000 0.857 672 V CB 1.314 33.183 31.823 0.077 0.000 0.985 672 V HN 0.401 nan 8.190 nan 0.000 0.443 673 L N 5.123 126.298 121.223 -0.079 0.000 2.397 673 L HA 0.667 5.008 4.340 0.003 0.000 0.271 673 L C 0.380 177.111 176.870 -0.232 0.000 1.148 673 L CA 0.924 55.492 54.840 -0.452 0.000 0.825 673 L CB 0.805 42.654 42.059 -0.351 0.000 1.117 673 L HN 0.862 nan 8.230 nan 0.000 0.456 674 E N 1.822 121.861 120.200 -0.269 0.000 2.281 674 E HA 0.485 4.836 4.350 0.003 0.000 0.257 674 E C 0.747 177.292 176.600 -0.092 0.000 0.971 674 E CA 0.136 56.463 56.400 -0.121 0.000 0.839 674 E CB -0.041 29.610 29.700 -0.081 0.000 1.238 674 E HN 0.832 nan 8.360 nan 0.000 0.412 675 D N -0.454 119.923 120.400 -0.039 0.000 2.228 675 D HA -0.067 4.575 4.640 0.003 0.000 0.203 675 D C 1.734 178.020 176.300 -0.023 0.000 0.988 675 D CA 2.137 56.127 54.000 -0.017 0.000 0.864 675 D CB -0.805 39.997 40.800 0.002 0.000 0.928 675 D HN 0.712 nan 8.370 nan 0.000 0.469 676 I N -4.954 115.595 120.570 -0.035 0.000 3.265 676 I HA 0.586 4.758 4.170 0.003 0.000 0.282 676 I C 1.658 177.750 176.117 -0.042 0.000 1.207 676 I CA 0.513 61.799 61.300 -0.024 0.000 1.449 676 I CB 0.890 38.886 38.000 -0.007 0.000 1.121 676 I HN 0.428 nan 8.210 nan 0.000 0.442 677 G N -0.238 108.505 108.800 -0.095 0.000 2.384 677 G HA2 0.118 4.080 3.960 0.003 0.000 0.113 677 G HA3 0.118 4.080 3.960 0.003 0.000 0.113 677 G C -1.447 173.331 174.900 -0.203 0.000 1.224 677 G CA -0.647 44.381 45.100 -0.119 0.000 1.126 677 G HN 0.095 nan 8.290 nan 0.000 0.461 690 D N 2.692 123.122 120.400 0.050 0.000 2.453 690 D HA 0.490 5.132 4.640 0.003 0.000 0.223 690 D C -0.447 175.927 176.300 0.123 0.000 1.183 690 D CA 0.506 54.536 54.000 0.051 0.000 0.933 690 D CB -0.044 40.790 40.800 0.057 0.000 1.038 690 D HN 0.451 nan 8.370 nan 0.000 0.513 691 I N 3.824 124.415 120.570 0.035 0.000 2.500 691 I HA 0.348 4.519 4.170 0.003 0.000 0.286 691 I C 0.315 176.376 176.117 -0.093 0.000 1.063 691 I CA -0.754 60.534 61.300 -0.021 0.000 1.062 691 I CB 1.703 39.693 38.000 -0.017 0.000 1.223 691 I HN -0.037 nan 8.210 nan 0.000 0.435 692 R N 4.735 125.108 120.500 -0.213 0.000 2.828 692 R HA 0.764 5.106 4.340 0.003 0.000 0.264 692 R C -1.657 174.354 176.300 -0.480 0.000 1.022 692 R CA -0.983 55.013 56.100 -0.174 0.000 1.021 692 R CB 2.187 32.442 30.300 -0.075 0.000 1.163 692 R HN 0.365 nan 8.270 nan 0.000 0.494 693 Y N -0.941 119.316 120.300 -0.072 0.000 2.562 693 Y HA 0.458 5.010 4.550 0.003 0.000 0.345 693 Y C -0.149 175.859 175.900 0.180 0.000 1.045 693 Y CA -0.677 57.410 58.100 -0.021 0.000 1.028 693 Y CB 1.953 40.407 38.460 -0.010 0.000 1.297 693 Y HN 0.558 nan 8.280 nan 0.000 0.463 694 C N 0.869 120.515 119.300 0.576 0.000 3.277 694 C HA 1.012 5.474 4.460 0.003 0.000 0.367 694 C C -0.790 174.618 174.990 0.695 0.000 1.949 694 C CA 0.046 59.359 59.018 0.493 0.000 1.428 694 C CB 1.288 29.177 27.740 0.249 0.000 2.409 694 C HN 1.052 nan 8.230 nan 0.000 0.460 695 A N -0.344 122.727 122.820 0.418 0.000 2.599 695 A HA 0.830 5.152 4.320 0.003 0.000 0.290 695 A C -1.303 176.374 177.584 0.155 0.000 1.101 695 A CA 0.284 52.485 52.037 0.273 0.000 0.674 695 A CB 0.582 19.765 19.000 0.305 0.000 1.277 695 A HN 1.979 nan 8.150 nan 0.000 0.419 696 A N 1.370 124.258 122.820 0.114 0.000 3.064 696 A HA 0.716 5.038 4.320 0.003 0.000 0.339 696 A C -2.883 174.787 177.584 0.142 0.000 1.078 696 A CA -1.380 50.749 52.037 0.154 0.000 0.869 696 A CB -0.202 18.878 19.000 0.134 0.000 1.067 696 A HN 0.415 nan 8.150 nan 0.000 0.480 697 P HA 0.580 nan 4.420 nan 0.000 0.278 697 P C -0.706 176.661 177.300 0.112 0.000 1.258 697 P CA -0.363 62.810 63.100 0.122 0.000 0.811 697 P CB 0.999 32.782 31.700 0.138 0.000 1.063 698 L N 0.553 121.695 121.223 -0.135 0.000 2.342 698 L HA 0.843 5.185 4.340 0.003 0.000 0.271 698 L C 0.134 176.829 176.870 -0.292 0.000 1.008 698 L CA -0.530 54.058 54.840 -0.421 0.000 0.818 698 L CB 1.614 42.909 42.059 -1.274 0.000 1.296 698 L HN 0.415 nan 8.230 nan 0.000 0.427 699 A N 2.009 124.798 122.820 -0.052 0.000 2.515 699 A HA 0.872 5.193 4.320 0.003 0.000 0.298 699 A C -1.878 175.845 177.584 0.231 0.000 1.059 699 A CA -0.436 51.695 52.037 0.157 0.000 0.698 699 A CB 1.632 20.707 19.000 0.126 0.000 1.289 699 A HN 0.531 nan 8.150 nan 0.000 0.404 700 L N 1.000 122.283 121.223 0.099 0.000 2.346 700 L HA 0.917 5.259 4.340 0.003 0.000 0.274 700 L C -1.567 175.170 176.870 -0.221 0.000 1.007 700 L CA -0.308 54.615 54.840 0.139 0.000 0.818 700 L CB 1.440 43.614 42.059 0.192 0.000 1.284 700 L HN 0.622 nan 8.230 nan 0.000 0.424 701 F N 3.231 123.287 119.950 0.177 0.000 2.577 701 F HA 0.495 5.024 4.527 0.003 0.000 0.318 701 F C -1.140 174.830 175.800 0.284 0.000 1.065 701 F CA -0.581 57.530 58.000 0.184 0.000 0.929 701 F CB 1.763 40.811 39.000 0.080 0.000 1.237 701 F HN 0.340 nan 8.300 nan 0.000 0.468 702 Y N 1.670 122.143 120.300 0.288 0.000 2.373 702 Y HA 0.672 5.224 4.550 0.003 0.000 0.336 702 Y C -1.439 174.576 175.900 0.191 0.000 0.979 702 Y CA -1.517 56.717 58.100 0.222 0.000 1.080 702 Y CB 1.415 39.950 38.460 0.125 0.000 1.190 702 Y HN 0.343 nan 8.280 nan 0.000 0.446 703 V N 7.879 127.646 119.914 -0.245 0.000 2.387 703 V HA 0.119 4.240 4.120 0.003 0.000 0.260 703 V C 0.092 175.557 176.094 -1.048 0.000 1.054 703 V CA -0.504 61.525 62.300 -0.453 0.000 0.967 703 V CB -0.612 31.096 31.823 -0.191 0.000 1.036 703 V HN 0.842 nan 8.190 nan 0.000 0.481 704 N N 5.150 123.335 118.700 -0.858 0.000 2.327 704 N HA 0.255 4.996 4.740 0.003 0.000 0.257 704 N C 1.253 176.505 175.510 -0.429 0.000 1.281 704 N CA 0.083 52.703 53.050 -0.717 0.000 0.942 704 N CB 0.516 38.844 38.487 -0.265 0.000 1.199 704 N HN 0.342 nan 8.380 nan 0.000 0.532 705 K N -0.412 119.847 120.400 -0.235 0.000 2.152 705 K HA -0.013 4.309 4.320 0.003 0.000 0.206 705 K C 2.117 178.584 176.600 -0.223 0.000 1.048 705 K CA 1.933 58.111 56.287 -0.183 0.000 0.933 705 K CB -1.258 31.190 32.500 -0.087 0.000 0.721 705 K HN 0.384 nan 8.250 nan 0.000 0.447 706 L N -0.915 120.122 121.223 -0.311 0.000 2.395 706 L HA 0.294 4.636 4.340 0.003 0.000 0.218 706 L C 2.080 178.690 176.870 -0.434 0.000 1.130 706 L CA 0.932 55.514 54.840 -0.429 0.000 0.826 706 L CB -0.783 40.871 42.059 -0.675 0.000 0.941 706 L HN 1.022 nan 8.230 nan 0.000 0.451 707 G N -1.529 107.062 108.800 -0.348 0.000 2.131 707 G HA2 -0.220 3.742 3.960 0.003 0.000 0.201 707 G HA3 -0.220 3.742 3.960 0.003 0.000 0.201 707 G C -0.051 174.834 174.900 -0.024 0.000 1.000 707 G CA -0.162 44.834 45.100 -0.174 0.000 0.680 707 G HN 0.635 nan 8.290 nan 0.000 0.514 708 H N -0.779 118.189 119.070 -0.170 0.000 2.488 708 H HA 0.483 5.041 4.556 0.003 0.000 0.322 708 H C -0.128 175.118 175.328 -0.136 0.000 1.078 708 H CA -1.105 54.853 56.048 -0.151 0.000 1.260 708 H CB 2.033 31.694 29.762 -0.167 0.000 1.425 708 H HN 0.131 nan 8.280 nan 0.000 0.471 709 L N 4.893 126.131 121.223 0.025 0.000 2.407 709 L HA 0.099 4.441 4.340 0.003 0.000 0.282 709 L C -0.633 176.349 176.870 0.186 0.000 1.110 709 L CA 0.134 55.004 54.840 0.050 0.000 0.863 709 L CB -0.007 42.025 42.059 -0.046 0.000 1.207 709 L HN 0.580 nan 8.230 nan 0.000 0.454 710 M N 7.605 127.339 119.600 0.224 0.000 2.300 710 M HA 0.439 4.920 4.480 0.003 0.000 0.348 710 M C -2.341 174.153 176.300 0.322 0.000 1.151 710 M CA -2.338 53.126 55.300 0.273 0.000 1.046 710 M CB 1.137 33.864 32.600 0.210 0.000 1.647 710 M HN 0.313 nan 8.290 nan 0.000 0.451 711 P HA 0.206 nan 4.420 nan 0.000 0.276 711 P C 0.209 177.547 177.300 0.064 0.000 1.253 711 P CA 0.031 63.145 63.100 0.023 0.000 0.766 711 P CB 0.254 32.173 31.700 0.366 0.000 0.845 712 I N 0.559 121.089 120.570 -0.067 0.000 4.471 712 I HA 0.606 4.777 4.170 0.003 0.000 0.326 712 I C 0.305 176.363 176.117 -0.098 0.000 1.300 712 I CA -0.317 60.930 61.300 -0.089 0.000 1.237 712 I CB 0.645 38.634 38.000 -0.019 0.000 1.195 712 I HN 0.178 nan 8.210 nan 0.000 0.427 713 A N 1.547 124.373 122.820 0.010 0.000 2.547 713 A HA 0.839 5.161 4.320 0.003 0.000 0.297 713 A C -1.299 176.464 177.584 0.299 0.000 1.056 713 A CA -0.345 51.760 52.037 0.114 0.000 0.688 713 A CB 1.474 20.464 19.000 -0.017 0.000 1.282 713 A HN 0.228 nan 8.150 nan 0.000 0.400 714 I N 1.077 121.907 120.570 0.433 0.000 2.569 714 I HA 0.429 4.601 4.170 0.003 0.000 0.290 714 I C -0.481 175.948 176.117 0.521 0.000 1.088 714 I CA -0.323 61.239 61.300 0.437 0.000 1.047 714 I CB 2.412 40.621 38.000 0.348 0.000 1.237 714 I HN 0.795 nan 8.210 nan 0.000 0.421 715 Q N 5.374 125.431 119.800 0.428 0.000 2.325 715 Q HA 0.487 4.829 4.340 0.003 0.000 0.270 715 Q C 0.169 176.302 176.000 0.221 0.000 1.020 715 Q CA -0.532 55.486 55.803 0.358 0.000 0.785 715 Q CB 2.082 31.025 28.738 0.343 0.000 1.259 715 Q HN 0.722 nan 8.270 nan 0.000 0.452 716 I N 2.085 122.807 120.570 0.253 0.000 2.315 716 I HA -0.114 4.057 4.170 0.003 0.000 0.248 716 I C 0.639 176.788 176.117 0.055 0.000 1.117 716 I CA 0.805 62.176 61.300 0.117 0.000 1.404 716 I CB 0.013 38.003 38.000 -0.017 0.000 1.071 716 I HN 0.550 nan 8.210 nan 0.000 0.419 717 N N -0.855 117.876 118.700 0.050 0.000 2.697 717 N HA 0.201 4.943 4.740 0.003 0.000 0.272 717 N C 0.292 175.817 175.510 0.025 0.000 1.381 717 N CA -0.519 52.543 53.050 0.019 0.000 0.797 717 N CB 1.499 39.971 38.487 -0.025 0.000 1.523 717 N HN -0.108 nan 8.380 nan 0.000 0.518 718 Q N 0.307 120.117 119.800 0.018 0.000 2.123 718 Q HA -0.068 4.273 4.340 0.003 0.000 0.199 718 Q C -0.188 175.831 176.000 0.032 0.000 0.966 718 Q CA 1.176 56.991 55.803 0.020 0.000 0.845 718 Q CB 0.006 28.760 28.738 0.026 0.000 0.907 718 Q HN 0.514 nan 8.270 nan 0.000 0.439 719 E N 2.290 122.507 120.200 0.028 0.000 2.046 719 E HA 0.157 4.509 4.350 0.003 0.000 0.279 719 E C -2.410 174.213 176.600 0.038 0.000 0.989 719 E CA -2.585 53.834 56.400 0.031 0.000 0.798 719 E CB 1.006 30.717 29.700 0.018 0.000 1.086 719 E HN -0.058 nan 8.360 nan 0.000 0.399 720 P HA 0.320 nan 4.420 nan 0.000 0.271 720 P C -0.204 177.109 177.300 0.022 0.000 1.218 720 P CA -0.154 62.975 63.100 0.048 0.000 0.780 720 P CB 1.488 33.227 31.700 0.066 0.000 0.901 721 G N 1.512 110.314 108.800 0.003 0.000 2.488 721 G HA2 0.418 4.380 3.960 0.003 0.000 0.301 721 G HA3 0.418 4.380 3.960 0.003 0.000 0.301 721 G C -2.761 172.121 174.900 -0.031 0.000 1.339 721 G CA -0.741 44.355 45.100 -0.007 0.000 0.803 721 G HN 0.118 nan 8.290 nan 0.000 0.482 722 P HA 0.157 nan 4.420 nan 0.000 0.235 722 P C 0.868 178.140 177.300 -0.048 0.000 1.177 722 P CA 0.679 63.748 63.100 -0.052 0.000 0.785 722 P CB 0.426 32.106 31.700 -0.034 0.000 0.885 723 E N -0.522 119.667 120.200 -0.017 0.000 2.445 723 E HA 0.042 4.393 4.350 0.003 0.000 0.189 723 E C 0.159 176.771 176.600 0.021 0.000 1.069 723 E CA 0.172 56.576 56.400 0.007 0.000 0.871 723 E CB -0.393 29.319 29.700 0.019 0.000 0.991 723 E HN 0.119 nan 8.360 nan 0.000 0.481 724 N N 0.874 119.570 118.700 -0.006 0.000 2.732 724 N HA 0.080 4.822 4.740 0.003 0.000 0.230 724 N C -2.866 172.616 175.510 -0.047 0.000 1.487 724 N CA -1.276 51.788 53.050 0.024 0.000 0.765 724 N CB 0.780 39.286 38.487 0.032 0.000 1.384 724 N HN -0.127 nan 8.380 nan 0.000 0.530 725 P HA 0.379 nan 4.420 nan 0.000 0.312 725 P C -0.451 176.585 177.300 -0.441 0.000 1.308 725 P CA -0.541 62.320 63.100 -0.399 0.000 0.743 725 P CB 1.383 32.685 31.700 -0.664 0.000 1.364 726 I N -0.396 119.889 120.570 -0.476 0.000 2.336 726 I HA 0.225 4.397 4.170 0.003 0.000 0.292 726 I C -0.209 175.682 176.117 -0.377 0.000 0.991 726 I CA -0.386 60.696 61.300 -0.364 0.000 1.227 726 I CB -0.114 37.505 38.000 -0.636 0.000 1.366 726 I HN 0.377 nan 8.210 nan 0.000 0.466 727 W N 5.152 126.477 121.300 0.042 0.000 2.551 727 W HA 0.585 5.247 4.660 0.002 0.000 0.330 727 W C 0.314 176.878 176.519 0.075 0.000 1.063 727 W CA -0.375 57.050 57.345 0.132 0.000 1.222 727 W CB 1.762 31.390 29.460 0.280 0.000 1.349 727 W HN 0.504 nan 8.180 nan 0.000 0.536 728 T N -1.456 113.129 114.554 0.052 0.000 2.887 728 T HA 0.387 4.739 4.350 0.003 0.000 0.292 728 T C -2.078 171.758 174.700 -1.440 0.000 1.087 728 T CA -2.103 59.636 62.100 -0.601 0.000 1.009 728 T CB 2.080 70.758 68.868 -0.315 0.000 1.203 728 T HN 0.139 nan 8.240 nan 0.000 0.518 729 P HA -0.100 nan 4.420 nan 0.000 0.223 729 P C 0.413 177.056 177.300 -1.094 0.000 1.144 729 P CA 1.245 63.083 63.100 -2.104 0.000 0.783 729 P CB -0.386 30.492 31.700 -1.370 0.000 0.771 730 H N -1.114 117.674 119.070 -0.470 0.000 2.537 730 H HA 0.185 4.743 4.556 0.003 0.000 0.295 730 H C 0.543 175.795 175.328 -0.128 0.000 1.054 730 H CA -0.499 55.412 56.048 -0.228 0.000 1.156 730 H CB -0.421 29.239 29.762 -0.170 0.000 1.468 730 H HN 0.033 nan 8.280 nan 0.000 0.551 731 E N 1.118 121.286 120.200 -0.053 0.000 2.508 731 E HA -0.096 4.256 4.350 0.003 0.000 0.266 731 E C 1.383 178.025 176.600 0.068 0.000 1.010 731 E CA 0.790 57.240 56.400 0.084 0.000 0.955 731 E CB 0.582 30.410 29.700 0.213 0.000 0.946 731 E HN 0.779 nan 8.360 nan 0.000 0.454 732 E N 3.059 123.307 120.200 0.080 0.000 2.112 732 E HA -0.152 4.199 4.350 0.003 0.000 0.190 732 E C 0.889 177.524 176.600 0.060 0.000 0.979 732 E CA 0.863 57.298 56.400 0.058 0.000 0.814 732 E CB -0.131 29.601 29.700 0.053 0.000 0.762 732 E HN 0.324 nan 8.360 nan 0.000 0.460 733 N N 1.169 119.928 118.700 0.099 0.000 2.439 733 N HA 0.042 4.784 4.740 0.003 0.000 0.243 733 N C 0.909 176.464 175.510 0.075 0.000 1.088 733 N CA 0.392 53.497 53.050 0.091 0.000 0.940 733 N CB 0.944 39.527 38.487 0.160 0.000 1.180 733 N HN 0.592 nan 8.380 nan 0.000 0.505 734 E N 2.334 122.508 120.200 -0.042 0.000 2.171 734 E HA -0.256 4.096 4.350 0.003 0.000 0.197 734 E C 0.425 177.043 176.600 0.030 0.000 0.997 734 E CA 1.345 57.726 56.400 -0.032 0.000 0.810 734 E CB -0.240 29.382 29.700 -0.130 0.000 0.738 734 E HN 0.560 nan 8.360 nan 0.000 0.467 735 H N 0.771 119.929 119.070 0.146 0.000 2.462 735 H HA -0.025 4.533 4.556 0.003 0.000 0.292 735 H C 1.315 176.693 175.328 0.083 0.000 1.049 735 H CA 1.307 57.435 56.048 0.134 0.000 1.334 735 H CB -0.092 29.756 29.762 0.142 0.000 1.404 735 H HN 0.289 nan 8.280 nan 0.000 0.544 736 D N 0.196 120.714 120.400 0.197 0.000 2.117 736 D HA -0.166 4.476 4.640 0.003 0.000 0.198 736 D C 2.155 178.440 176.300 -0.025 0.000 0.982 736 D CA 0.521 54.567 54.000 0.076 0.000 0.828 736 D CB -0.380 40.593 40.800 0.288 0.000 0.967 736 D HN 0.487 nan 8.370 nan 0.000 0.464 737 W N 0.719 121.978 121.300 -0.070 0.000 2.379 737 W HA -0.203 4.458 4.660 0.002 0.000 0.307 737 W C 2.055 178.419 176.519 -0.258 0.000 1.200 737 W CA 0.559 57.826 57.345 -0.130 0.000 1.297 737 W CB -0.229 29.173 29.460 -0.097 0.000 1.140 737 W HN -0.074 nan 8.180 nan 0.000 0.507 738 M N 1.318 120.711 119.600 -0.344 0.000 2.073 738 M HA -0.303 4.178 4.480 0.003 0.000 0.258 738 M C 2.344 178.191 176.300 -0.755 0.000 1.070 738 M CA 2.448 57.369 55.300 -0.630 0.000 1.103 738 M CB -1.091 31.374 32.600 -0.226 0.000 1.321 738 M HN 0.053 nan 8.290 nan 0.000 0.405 739 M N -0.029 119.405 119.600 -0.276 0.000 2.106 739 M HA -0.116 4.366 4.480 0.003 0.000 0.259 739 M C 2.012 178.238 176.300 -0.124 0.000 1.068 739 M CA 2.215 57.482 55.300 -0.055 0.000 1.100 739 M CB -0.895 31.727 32.600 0.036 0.000 1.351 739 M HN 0.389 nan 8.290 nan 0.000 0.404 740 A N -0.656 121.927 122.820 -0.395 0.000 1.930 740 A HA -0.177 4.145 4.320 0.003 0.000 0.217 740 A C 2.178 179.538 177.584 -0.372 0.000 1.175 740 A CA 1.758 53.555 52.037 -0.400 0.000 0.627 740 A CB -0.614 18.070 19.000 -0.528 0.000 0.815 740 A HN 0.575 nan 8.150 nan 0.000 0.443 741 K N -1.099 118.841 120.400 -0.767 0.000 2.097 741 K HA -0.078 4.243 4.320 0.003 0.000 0.206 741 K C 1.657 178.112 176.600 -0.242 0.000 1.049 741 K CA 1.506 57.334 56.287 -0.764 0.000 0.933 741 K CB -0.347 31.270 32.500 -1.470 0.000 0.717 741 K HN 0.626 nan 8.250 nan 0.000 0.442 742 F N -0.764 119.080 119.950 -0.177 0.000 2.113 742 F HA -0.198 4.330 4.527 0.003 0.000 0.297 742 F C 2.083 177.753 175.800 -0.217 0.000 1.103 742 F CA 0.479 58.365 58.000 -0.191 0.000 1.248 742 F CB -0.343 38.486 39.000 -0.285 0.000 0.999 742 F HN 0.116 nan 8.300 nan 0.000 0.475 743 W N 0.097 121.441 121.300 0.073 0.000 2.342 743 W HA -0.195 4.465 4.660 0.001 0.000 0.297 743 W C 2.298 178.823 176.519 0.010 0.000 1.213 743 W CA 0.606 57.968 57.345 0.029 0.000 1.251 743 W CB -0.555 28.896 29.460 -0.016 0.000 1.136 743 W HN 0.014 nan 8.180 nan 0.000 0.526 744 L N 0.535 121.901 121.223 0.238 0.000 2.056 744 L HA 0.097 4.439 4.340 0.003 0.000 0.207 744 L C 2.306 179.238 176.870 0.103 0.000 1.078 744 L CA 2.540 57.484 54.840 0.173 0.000 0.749 744 L CB -1.410 40.832 42.059 0.305 0.000 0.901 744 L HN -0.017 nan 8.230 nan 0.000 0.433 745 G N -0.982 107.929 108.800 0.184 0.000 2.421 745 G HA2 -0.250 3.712 3.960 0.003 0.000 0.216 745 G HA3 -0.250 3.712 3.960 0.003 0.000 0.216 745 G C 1.638 176.562 174.900 0.039 0.000 1.171 745 G CA 0.950 46.123 45.100 0.122 0.000 0.775 745 G HN 0.312 nan 8.290 nan 0.000 0.543 746 V N 1.051 120.961 119.914 -0.006 0.000 2.720 746 V HA 0.013 4.135 4.120 0.003 0.000 0.256 746 V C 3.008 179.088 176.094 -0.023 0.000 1.082 746 V CA 2.163 64.439 62.300 -0.041 0.000 1.101 746 V CB -0.309 31.429 31.823 -0.142 0.000 0.693 746 V HN 0.456 nan 8.190 nan 0.000 0.479 747 A N -1.088 121.675 122.820 -0.095 0.000 1.903 747 A HA -0.122 4.200 4.320 0.003 0.000 0.213 747 A C 2.251 179.654 177.584 -0.301 0.000 1.185 747 A CA 1.272 53.160 52.037 -0.247 0.000 0.628 747 A CB -0.504 18.196 19.000 -0.500 0.000 0.830 747 A HN 0.575 nan 8.150 nan 0.000 0.446 748 E N 0.275 120.256 120.200 -0.364 0.000 2.110 748 E HA -0.149 4.203 4.350 0.003 0.000 0.193 748 E C 2.057 178.830 176.600 0.289 0.000 0.988 748 E CA 1.373 57.792 56.400 0.033 0.000 0.804 748 E CB -0.040 29.710 29.700 0.083 0.000 0.745 748 E HN 0.544 nan 8.360 nan 0.000 0.458 749 S N 0.775 116.609 115.700 0.224 0.000 2.348 749 S HA -0.140 4.332 4.470 0.003 0.000 0.221 749 S C 1.693 176.464 174.600 0.286 0.000 1.033 749 S CA 1.503 59.910 58.200 0.346 0.000 1.010 749 S CB -0.350 63.008 63.200 0.263 0.000 0.891 749 S HN 0.322 nan 8.310 nan 0.000 0.442 750 N N 0.681 119.475 118.700 0.156 0.000 2.106 750 N HA 0.005 4.746 4.740 0.003 0.000 0.188 750 N C 1.460 177.076 175.510 0.177 0.000 1.029 750 N CA 1.042 54.137 53.050 0.075 0.000 0.848 750 N CB -0.356 38.093 38.487 -0.063 0.000 1.007 750 N HN 0.334 nan 8.380 nan 0.000 0.423 751 F N 1.429 121.471 119.950 0.153 0.000 2.065 751 F HA -0.301 4.228 4.527 0.003 0.000 0.298 751 F C 2.647 178.666 175.800 0.365 0.000 1.112 751 F CA 1.843 60.078 58.000 0.391 0.000 1.212 751 F CB -0.433 38.911 39.000 0.574 0.000 0.975 751 F HN 0.271 nan 8.300 nan 0.000 0.476 752 H N -0.316 119.051 119.070 0.496 0.000 2.293 752 H HA -0.164 4.394 4.556 0.003 0.000 0.300 752 H C 2.063 177.520 175.328 0.215 0.000 1.082 752 H CA 1.861 58.105 56.048 0.327 0.000 1.308 752 H CB -0.314 29.590 29.762 0.237 0.000 1.375 752 H HN 0.304 nan 8.280 nan 0.000 0.495 753 Q N 0.315 120.072 119.800 -0.073 0.000 2.172 753 Q HA -0.032 4.310 4.340 0.003 0.000 0.200 753 Q C 2.684 178.651 176.000 -0.055 0.000 0.964 753 Q CA 0.874 56.591 55.803 -0.143 0.000 0.855 753 Q CB 0.281 29.012 28.738 -0.011 0.000 0.918 753 Q HN 0.551 nan 8.270 nan 0.000 0.444 754 L N -0.553 120.697 121.223 0.045 0.000 2.286 754 L HA 0.021 4.363 4.340 0.003 0.000 0.203 754 L C 2.056 178.937 176.870 0.019 0.000 1.068 754 L CA 0.504 55.402 54.840 0.097 0.000 0.811 754 L CB -0.248 41.989 42.059 0.297 0.000 0.989 754 L HN 0.112 nan 8.230 nan 0.000 0.467 755 N N -0.113 118.566 118.700 -0.035 0.000 2.245 755 N HA -0.102 4.639 4.740 0.003 0.000 0.185 755 N C 1.742 177.139 175.510 -0.188 0.000 1.036 755 N CA 1.871 54.769 53.050 -0.253 0.000 0.857 755 N CB -0.110 38.001 38.487 -0.628 0.000 1.015 755 N HN -0.030 nan 8.380 nan 0.000 0.436 756 T N -0.517 113.945 114.554 -0.154 0.000 2.821 756 T HA -0.103 4.248 4.350 0.003 0.000 0.267 756 T C 1.509 176.252 174.700 0.070 0.000 1.046 756 T CA 1.251 63.350 62.100 -0.002 0.000 1.139 756 T CB -0.263 68.704 68.868 0.164 0.000 0.871 756 T HN 0.417 nan 8.240 nan 0.000 0.454 757 H N -0.611 118.396 119.070 -0.106 0.000 2.300 757 H HA 0.187 4.745 4.556 0.003 0.000 0.322 757 H C 2.203 177.588 175.328 0.094 0.000 1.088 757 H CA 0.108 56.133 56.048 -0.039 0.000 1.532 757 H CB -0.135 29.493 29.762 -0.224 0.000 1.488 757 H HN 0.064 nan 8.280 nan 0.000 0.607 758 L N 0.940 122.035 121.223 -0.213 0.000 1.970 758 L HA -0.174 4.167 4.340 0.003 0.000 0.212 758 L C 2.690 179.520 176.870 -0.066 0.000 1.071 758 L CA 1.424 56.119 54.840 -0.241 0.000 0.751 758 L CB -0.774 41.161 42.059 -0.206 0.000 0.889 758 L HN 0.383 nan 8.230 nan 0.000 0.432 759 L N -0.611 120.572 121.223 -0.066 0.000 1.988 759 L HA -0.153 4.189 4.340 0.003 0.000 0.207 759 L C 2.472 179.341 176.870 -0.003 0.000 1.071 759 L CA 1.698 56.494 54.840 -0.073 0.000 0.744 759 L CB -0.440 41.549 42.059 -0.117 0.000 0.893 759 L HN 0.128 nan 8.230 nan 0.000 0.433 760 R N -1.090 119.424 120.500 0.022 0.000 2.323 760 R HA 0.010 4.352 4.340 0.003 0.000 0.198 760 R C 1.470 177.896 176.300 0.211 0.000 0.988 760 R CA 0.996 57.151 56.100 0.091 0.000 1.041 760 R CB -0.308 29.965 30.300 -0.045 0.000 0.926 760 R HN 0.699 nan 8.270 nan 0.000 0.476 761 T N -3.310 111.377 114.554 0.222 0.000 3.571 761 T HA 0.058 4.409 4.350 0.003 0.000 0.217 761 T C 1.608 176.422 174.700 0.189 0.000 0.925 761 T CA -0.190 62.062 62.100 0.253 0.000 1.376 761 T CB -0.400 68.683 68.868 0.358 0.000 1.375 761 T HN 0.039 nan 8.240 nan 0.000 0.404 762 H N 1.721 120.859 119.070 0.112 0.000 2.296 762 H HA -0.054 4.504 4.556 0.003 0.000 0.291 762 H C 2.382 177.756 175.328 0.077 0.000 1.074 762 H CA 2.307 58.392 56.048 0.062 0.000 1.176 762 H CB -0.549 29.184 29.762 -0.048 0.000 1.357 762 H HN 0.238 nan 8.280 nan 0.000 0.520 763 L N 0.484 121.797 121.223 0.149 0.000 2.056 763 L HA -0.124 4.218 4.340 0.003 0.000 0.207 763 L C 2.975 179.876 176.870 0.052 0.000 1.078 763 L CA 1.622 56.490 54.840 0.047 0.000 0.749 763 L CB -0.653 41.364 42.059 -0.070 0.000 0.901 763 L HN 0.455 nan 8.230 nan 0.000 0.433 764 T N -3.976 110.608 114.554 0.050 0.000 2.857 764 T HA -0.148 4.204 4.350 0.003 0.000 0.266 764 T C 1.843 176.881 174.700 0.564 0.000 1.048 764 T CA 1.444 63.636 62.100 0.154 0.000 1.139 764 T CB -0.781 68.023 68.868 -0.107 0.000 0.874 764 T HN 0.438 nan 8.240 nan 0.000 0.455 765 T N -0.203 114.578 114.554 0.377 0.000 3.023 765 T HA 0.063 4.414 4.350 0.003 0.000 0.266 765 T C 1.805 176.776 174.700 0.452 0.000 1.093 765 T CA 1.033 63.299 62.100 0.277 0.000 1.129 765 T CB -0.456 68.241 68.868 -0.285 0.000 0.899 765 T HN 0.565 nan 8.240 nan 0.000 0.491 766 E N 1.337 121.769 120.200 0.387 0.000 2.187 766 E HA -0.185 4.166 4.350 0.003 0.000 0.199 766 E C 2.069 178.854 176.600 0.309 0.000 1.004 766 E CA 1.480 58.075 56.400 0.326 0.000 0.813 766 E CB -0.278 29.543 29.700 0.201 0.000 0.736 766 E HN 0.625 nan 8.360 nan 0.000 0.468 767 S N -0.278 115.646 115.700 0.374 0.000 2.383 767 S HA -0.109 4.362 4.470 0.003 0.000 0.227 767 S C 1.510 176.195 174.600 0.142 0.000 1.026 767 S CA 0.979 59.383 58.200 0.338 0.000 0.981 767 S CB -0.301 63.130 63.200 0.385 0.000 0.818 767 S HN 0.290 nan 8.310 nan 0.000 0.472 768 F N 1.810 121.824 119.950 0.107 0.000 2.206 768 F HA 0.054 4.582 4.527 0.003 0.000 0.298 768 F C 2.557 178.492 175.800 0.225 0.000 1.090 768 F CA 0.696 58.696 58.000 -0.001 0.000 1.323 768 F CB -0.556 38.438 39.000 -0.010 0.000 1.028 768 F HN 0.170 nan 8.300 nan 0.000 0.492 769 A N -0.168 122.966 122.820 0.524 0.000 1.902 769 A HA -0.178 4.144 4.320 0.003 0.000 0.217 769 A C 2.068 179.819 177.584 0.279 0.000 1.181 769 A CA 1.536 53.819 52.037 0.409 0.000 0.623 769 A CB -1.012 18.205 19.000 0.363 0.000 0.818 769 A HN 0.353 nan 8.150 nan 0.000 0.443 770 L N -0.416 120.884 121.223 0.129 0.000 2.056 770 L HA -0.073 4.269 4.340 0.003 0.000 0.207 770 L C 2.606 179.422 176.870 -0.091 0.000 1.078 770 L CA 2.455 57.248 54.840 -0.078 0.000 0.749 770 L CB -0.630 41.169 42.059 -0.433 0.000 0.901 770 L HN 0.332 nan 8.230 nan 0.000 0.433 771 S N -1.669 113.999 115.700 -0.054 0.000 2.382 771 S HA -0.191 4.281 4.470 0.003 0.000 0.228 771 S C 1.895 176.667 174.600 0.287 0.000 1.027 771 S CA 1.703 59.915 58.200 0.021 0.000 0.991 771 S CB -0.432 62.645 63.200 -0.204 0.000 0.823 771 S HN 0.666 nan 8.310 nan 0.000 0.469 772 T N 0.433 115.240 114.554 0.422 0.000 2.665 772 T HA -0.162 4.190 4.350 0.003 0.000 0.268 772 T C 1.209 175.947 174.700 0.063 0.000 1.035 772 T CA 1.804 64.114 62.100 0.351 0.000 1.151 772 T CB -0.540 68.424 68.868 0.161 0.000 0.862 772 T HN 0.648 nan 8.240 nan 0.000 0.438 773 W N 1.396 122.672 121.300 -0.041 0.000 2.388 773 W HA 0.051 4.713 4.660 0.003 0.000 0.294 773 W C 2.718 179.098 176.519 -0.231 0.000 1.212 773 W CA 0.357 57.512 57.345 -0.317 0.000 1.271 773 W CB -0.180 28.631 29.460 -1.082 0.000 1.126 773 W HN 0.111 nan 8.180 nan 0.000 0.535 774 R N -0.192 120.358 120.500 0.083 0.000 2.092 774 R HA -0.094 4.248 4.340 0.003 0.000 0.231 774 R C 1.392 177.774 176.300 0.137 0.000 1.119 774 R CA 1.363 57.533 56.100 0.118 0.000 0.970 774 R CB -0.334 30.010 30.300 0.074 0.000 0.864 774 R HN 0.222 nan 8.270 nan 0.000 0.440 775 N N -0.761 118.034 118.700 0.158 0.000 2.257 775 N HA 0.123 4.865 4.740 0.003 0.000 0.200 775 N C -0.295 175.252 175.510 0.061 0.000 1.163 775 N CA 0.162 53.309 53.050 0.160 0.000 0.891 775 N CB 1.157 39.804 38.487 0.267 0.000 1.067 775 N HN 0.042 nan 8.380 nan 0.000 0.497 776 L N 1.528 122.750 121.223 -0.001 0.000 2.287 776 L HA 0.554 4.896 4.340 0.003 0.000 0.287 776 L C 0.299 177.041 176.870 -0.213 0.000 1.022 776 L CA -0.742 53.996 54.840 -0.170 0.000 0.814 776 L CB 1.656 43.587 42.059 -0.214 0.000 1.217 776 L HN -0.080 nan 8.230 nan 0.000 0.420 777 A N 1.933 124.634 122.820 -0.198 0.000 2.425 777 A HA 0.226 4.547 4.320 0.003 0.000 0.242 777 A C 1.314 178.573 177.584 -0.543 0.000 1.077 777 A CA 0.261 52.147 52.037 -0.251 0.000 0.781 777 A CB 0.481 19.430 19.000 -0.084 0.000 1.020 777 A HN 0.910 nan 8.150 nan 0.000 0.494 778 S N 1.050 116.342 115.700 -0.681 0.000 2.419 778 S HA -0.080 4.391 4.470 0.003 0.000 0.233 778 S C 1.593 175.965 174.600 -0.380 0.000 1.016 778 S CA 1.295 58.926 58.200 -0.948 0.000 0.974 778 S CB -0.485 62.342 63.200 -0.621 0.000 0.786 778 S HN 1.385 nan 8.310 nan 0.000 0.492 779 A N 0.485 123.212 122.820 -0.155 0.000 2.206 779 A HA 0.182 4.504 4.320 0.003 0.000 0.211 779 A C 0.843 178.318 177.584 -0.182 0.000 1.158 779 A CA 0.181 52.169 52.037 -0.081 0.000 0.761 779 A CB -0.784 18.229 19.000 0.023 0.000 0.801 779 A HN 0.707 nan 8.150 nan 0.000 0.473 780 H N 0.474 119.386 119.070 -0.263 0.000 2.722 780 H HA 0.217 4.774 4.556 0.003 0.000 0.328 780 H C -1.382 173.719 175.328 -0.380 0.000 1.067 780 H CA -1.292 54.580 56.048 -0.293 0.000 1.447 780 H CB 1.235 30.868 29.762 -0.214 0.000 1.469 780 H HN 0.019 nan 8.280 nan 0.000 0.544 781 P HA -0.205 nan 4.420 nan 0.000 0.218 781 P C 1.023 178.145 177.300 -0.297 0.000 1.148 781 P CA 1.089 63.760 63.100 -0.715 0.000 0.822 781 P CB 0.413 31.360 31.700 -1.255 0.000 0.784 782 I N -1.777 118.790 120.570 -0.005 0.000 2.716 782 I HA -0.067 4.105 4.170 0.003 0.000 0.259 782 I C 2.336 178.345 176.117 -0.180 0.000 1.172 782 I CA 0.247 61.519 61.300 -0.047 0.000 1.478 782 I CB -1.715 36.242 38.000 -0.073 0.000 1.104 782 I HN -0.133 nan 8.210 nan 0.000 0.439 783 F N 2.602 122.388 119.950 -0.273 0.000 2.102 783 F HA -0.209 4.320 4.527 0.003 0.000 0.298 783 F C 2.415 177.951 175.800 -0.441 0.000 1.105 783 F CA 1.837 59.602 58.000 -0.391 0.000 1.239 783 F CB -0.106 38.668 39.000 -0.377 0.000 0.991 783 F HN -0.082 nan 8.300 nan 0.000 0.474 784 K N 0.045 120.176 120.400 -0.448 0.000 2.057 784 K HA -0.164 4.158 4.320 0.003 0.000 0.206 784 K C 1.965 178.137 176.600 -0.713 0.000 1.050 784 K CA 1.500 57.291 56.287 -0.826 0.000 0.935 784 K CB -0.644 30.969 32.500 -1.478 0.000 0.715 784 K HN 0.282 nan 8.250 nan 0.000 0.439 785 L N 1.447 122.472 121.223 -0.330 0.000 2.013 785 L HA -0.193 4.149 4.340 0.003 0.000 0.212 785 L C 1.907 178.751 176.870 -0.044 0.000 1.073 785 L CA 1.697 56.578 54.840 0.068 0.000 0.753 785 L CB -0.202 41.916 42.059 0.099 0.000 0.890 785 L HN 0.144 nan 8.230 nan 0.000 0.432 786 L N -1.616 119.485 121.223 -0.203 0.000 2.270 786 L HA -0.085 4.256 4.340 0.003 0.000 0.210 786 L C 2.487 179.202 176.870 -0.258 0.000 1.104 786 L CA 0.632 55.399 54.840 -0.122 0.000 0.804 786 L CB -0.418 41.548 42.059 -0.157 0.000 0.937 786 L HN 0.426 nan 8.230 nan 0.000 0.450 787 Q N 0.890 120.362 119.800 -0.547 0.000 2.047 787 Q HA -0.237 4.105 4.340 0.003 0.000 0.211 787 Q C -0.611 175.228 176.000 -0.267 0.000 1.005 787 Q CA 2.642 58.119 55.803 -0.544 0.000 0.866 787 Q CB -0.827 27.483 28.738 -0.712 0.000 0.938 787 Q HN 0.306 nan 8.270 nan 0.000 0.414 788 P HA -0.183 nan 4.420 nan 0.000 0.219 788 P C 0.494 177.653 177.300 -0.235 0.000 1.146 788 P CA 1.544 64.493 63.100 -0.253 0.000 0.808 788 P CB -0.167 31.336 31.700 -0.327 0.000 0.779 789 H N -0.650 118.404 119.070 -0.025 0.000 2.520 789 H HA 0.153 4.710 4.556 0.003 0.000 0.279 789 H C 2.052 177.050 175.328 -0.551 0.000 0.990 789 H CA 0.716 56.714 56.048 -0.083 0.000 1.288 789 H CB 0.027 29.853 29.762 0.106 0.000 1.446 789 H HN 0.270 nan 8.280 nan 0.000 0.538 790 I N -1.973 118.357 120.570 -0.401 0.000 3.226 790 I HA 0.001 4.172 4.170 0.003 0.000 0.277 790 I C 0.817 176.792 176.117 -0.236 0.000 1.243 790 I CA -0.141 60.814 61.300 -0.574 0.000 1.459 790 I CB -0.461 37.425 38.000 -0.191 0.000 1.093 790 I HN -0.165 nan 8.210 nan 0.000 0.453 791 Y N 3.733 123.944 120.300 -0.149 0.000 2.712 791 Y HA 0.330 4.882 4.550 0.003 0.000 0.333 791 Y C 1.320 177.237 175.900 0.027 0.000 1.225 791 Y CA 1.196 59.301 58.100 0.009 0.000 1.499 791 Y CB 0.466 38.948 38.460 0.036 0.000 1.288 791 Y HN 0.448 nan 8.280 nan 0.000 0.575 792 G N 2.776 110.972 108.800 -1.007 0.000 2.420 792 G HA2 -0.356 3.606 3.960 0.003 0.000 0.221 792 G HA3 -0.356 3.606 3.960 0.003 0.000 0.221 792 G C 0.968 175.732 174.900 -0.226 0.000 1.117 792 G CA 0.590 45.332 45.100 -0.598 0.000 0.657 792 G HN 1.270 nan 8.290 nan 0.000 0.512 793 V N 0.569 120.394 119.914 -0.149 0.000 2.392 793 V HA -0.036 4.085 4.120 0.003 0.000 0.249 793 V C 2.787 178.862 176.094 -0.032 0.000 1.059 793 V CA 2.394 64.682 62.300 -0.021 0.000 1.051 793 V CB -0.915 30.978 31.823 0.116 0.000 0.658 793 V HN 0.475 nan 8.190 nan 0.000 0.455 794 L N 0.392 121.573 121.223 -0.071 0.000 2.072 794 L HA 0.011 4.353 4.340 0.003 0.000 0.205 794 L C 2.925 179.694 176.870 -0.169 0.000 1.079 794 L CA 1.413 56.206 54.840 -0.078 0.000 0.752 794 L CB -0.797 41.228 42.059 -0.058 0.000 0.906 794 L HN 0.373 nan 8.230 nan 0.000 0.436 795 A N 0.119 122.778 122.820 -0.268 0.000 1.855 795 A HA -0.214 4.108 4.320 0.003 0.000 0.215 795 A C 2.193 179.458 177.584 -0.531 0.000 1.191 795 A CA 1.631 53.412 52.037 -0.426 0.000 0.613 795 A CB -0.631 17.994 19.000 -0.626 0.000 0.829 795 A HN 0.275 nan 8.150 nan 0.000 0.442 796 I N 0.382 120.654 120.570 -0.496 0.000 2.394 796 I HA -0.162 4.009 4.170 0.003 0.000 0.251 796 I C 1.244 177.258 176.117 -0.171 0.000 1.136 796 I CA 1.693 62.800 61.300 -0.323 0.000 1.425 796 I CB -0.444 37.574 38.000 0.030 0.000 1.079 796 I HN 0.255 nan 8.210 nan 0.000 0.425 797 D N -0.503 119.843 120.400 -0.089 0.000 2.149 797 D HA -0.111 4.531 4.640 0.003 0.000 0.201 797 D C 2.201 178.444 176.300 -0.095 0.000 0.972 797 D CA 1.486 55.451 54.000 -0.059 0.000 0.835 797 D CB -0.330 40.472 40.800 0.003 0.000 0.966 797 D HN 0.281 nan 8.370 nan 0.000 0.476 798 T N 0.880 115.361 114.554 -0.122 0.000 2.674 798 T HA -0.070 4.282 4.350 0.003 0.000 0.265 798 T C 2.186 176.822 174.700 -0.107 0.000 1.039 798 T CA 0.623 62.656 62.100 -0.112 0.000 1.150 798 T CB -0.285 68.504 68.868 -0.131 0.000 0.864 798 T HN 0.120 nan 8.240 nan 0.000 0.427 799 I N 1.281 121.755 120.570 -0.161 0.000 2.151 799 I HA -0.196 3.976 4.170 0.003 0.000 0.243 799 I C 2.877 178.931 176.117 -0.104 0.000 1.080 799 I CA 1.518 62.718 61.300 -0.167 0.000 1.339 799 I CB -0.845 36.941 38.000 -0.356 0.000 1.039 799 I HN 0.330 nan 8.210 nan 0.000 0.409 800 G N 0.442 109.172 108.800 -0.116 0.000 2.446 800 G HA2 -0.250 3.712 3.960 0.003 0.000 0.217 800 G HA3 -0.250 3.712 3.960 0.003 0.000 0.217 800 G C 1.814 176.687 174.900 -0.044 0.000 1.168 800 G CA 0.618 45.672 45.100 -0.076 0.000 0.771 800 G HN 0.298 nan 8.290 nan 0.000 0.551 801 R N 0.289 120.759 120.500 -0.049 0.000 2.120 801 R HA 0.010 4.352 4.340 0.003 0.000 0.234 801 R C 2.727 179.018 176.300 -0.015 0.000 1.123 801 R CA 1.684 57.766 56.100 -0.029 0.000 0.975 801 R CB -0.142 30.135 30.300 -0.037 0.000 0.866 801 R HN 0.462 nan 8.270 nan 0.000 0.446 802 K N 0.162 120.550 120.400 -0.020 0.000 2.358 802 K HA 0.177 4.499 4.320 0.003 0.000 0.197 802 K C 1.300 177.904 176.600 0.007 0.000 1.025 802 K CA 1.027 57.309 56.287 -0.008 0.000 1.104 802 K CB 0.355 32.846 32.500 -0.016 0.000 0.855 802 K HN 0.433 nan 8.250 nan 0.000 0.531 803 E N -0.205 120.003 120.200 0.014 0.000 3.701 803 E HA 0.445 4.796 4.350 0.003 0.000 0.206 803 E C 0.971 177.598 176.600 0.046 0.000 1.229 803 E CA 0.257 56.680 56.400 0.039 0.000 1.573 803 E CB -0.120 nan 29.700 nan 0.000 1.449 803 E HN 0.314 nan 8.360 nan 0.000 0.618 809 G N -1.410 107.379 108.800 -0.018 0.000 2.820 809 G HA2 0.696 4.658 3.960 0.003 0.000 0.291 809 G HA3 0.696 4.658 3.960 0.003 0.000 0.291 809 G C 1.507 176.377 174.900 -0.050 0.000 1.323 809 G CA 0.489 45.576 45.100 -0.021 0.000 1.055 809 G HN 1.663 nan 8.290 nan 0.000 0.520 810 I N -0.325 120.218 120.570 -0.045 0.000 2.053 810 I HA 0.031 4.203 4.170 0.003 0.000 0.236 810 I C 3.304 179.351 176.117 -0.117 0.000 1.038 810 I CA 3.537 64.799 61.300 -0.063 0.000 1.304 810 I CB -1.465 36.505 38.000 -0.051 0.000 1.023 810 I HN 0.948 nan 8.210 nan 0.000 0.395 811 V N -0.194 119.622 119.914 -0.163 0.000 2.407 811 V HA -0.330 3.792 4.120 0.003 0.000 0.248 811 V C 2.151 178.098 176.094 -0.246 0.000 1.055 811 V CA 3.416 65.575 62.300 -0.235 0.000 1.049 811 V CB -1.221 30.382 31.823 -0.367 0.000 0.662 811 V HN 0.640 nan 8.190 nan 0.000 0.455 812 D N -0.241 120.024 120.400 -0.225 0.000 2.178 812 D HA -0.013 4.629 4.640 0.003 0.000 0.201 812 D C 2.403 178.596 176.300 -0.178 0.000 0.980 812 D CA 1.794 55.702 54.000 -0.154 0.000 0.842 812 D CB 0.087 40.853 40.800 -0.057 0.000 0.948 812 D HN 0.679 nan 8.370 nan 0.000 0.472 813 Q N -0.459 119.235 119.800 -0.177 0.000 2.376 813 Q HA 0.149 4.491 4.340 0.003 0.000 0.206 813 Q C 1.933 177.802 176.000 -0.219 0.000 0.921 813 Q CA 1.184 56.865 55.803 -0.203 0.000 0.911 813 Q CB -0.179 28.476 28.738 -0.139 0.000 1.032 813 Q HN 0.353 nan 8.270 nan 0.000 0.510 814 S N -2.139 113.442 115.700 -0.198 0.000 2.666 814 S HA 0.524 4.996 4.470 0.003 0.000 0.239 814 S C -0.094 174.389 174.600 -0.195 0.000 1.031 814 S CA -0.212 57.871 58.200 -0.195 0.000 1.015 814 S CB 0.385 63.473 63.200 -0.188 0.000 0.981 814 S HN 0.309 nan 8.310 nan 0.000 0.547 815 L N 1.550 122.664 121.223 -0.181 0.000 2.385 815 L HA 0.613 4.954 4.340 0.003 0.000 0.273 815 L C 1.095 177.899 176.870 -0.110 0.000 0.990 815 L CA 0.009 54.763 54.840 -0.144 0.000 0.821 815 L CB 1.802 43.781 42.059 -0.135 0.000 1.279 815 L HN 0.073 nan 8.230 nan 0.000 0.412 816 S N 3.012 118.661 115.700 -0.085 0.000 2.389 816 S HA -0.183 4.288 4.470 0.003 0.000 0.231 816 S C 1.404 176.009 174.600 0.009 0.000 1.052 816 S CA 1.730 59.907 58.200 -0.040 0.000 1.053 816 S CB -0.281 62.911 63.200 -0.012 0.000 0.886 816 S HN 0.510 nan 8.310 nan 0.000 0.456 817 L N 1.428 122.653 121.223 0.003 0.000 2.650 817 L HA 0.214 4.555 4.340 0.003 0.000 0.235 817 L C 1.379 178.316 176.870 0.112 0.000 1.149 817 L CA 0.059 54.933 54.840 0.057 0.000 0.887 817 L CB -1.416 40.659 42.059 0.026 0.000 1.021 817 L HN 0.182 nan 8.230 nan 0.000 0.441 818 G N -1.696 107.122 108.800 0.031 0.000 2.636 818 G HA2 0.381 4.342 3.960 0.003 0.000 0.246 818 G HA3 0.381 4.342 3.960 0.003 0.000 0.246 818 G C 1.027 176.068 174.900 0.235 0.000 1.216 818 G CA 0.202 45.293 45.100 -0.014 0.000 0.854 818 G HN 0.437 nan 8.290 nan 0.000 0.572 819 G N -1.483 107.460 108.800 0.238 0.000 2.176 819 G HA2 0.235 4.197 3.960 0.003 0.000 0.232 819 G HA3 0.235 4.197 3.960 0.003 0.000 0.232 819 G C 1.187 176.185 174.900 0.164 0.000 0.986 819 G CA 0.981 46.206 45.100 0.209 0.000 0.643 819 G HN 2.484 nan 8.290 nan 0.000 0.522 820 G N -1.390 107.605 108.800 0.326 0.000 3.134 820 G HA2 0.245 4.207 3.960 0.003 0.000 0.195 820 G HA3 0.245 4.207 3.960 0.003 0.000 0.195 820 G C 1.689 176.620 174.900 0.052 0.000 1.054 820 G CA 1.201 46.377 45.100 0.126 0.000 0.828 820 G HN 1.692 nan 8.290 nan 0.000 0.462 821 G N 1.079 109.973 108.800 0.156 0.000 2.498 821 G HA2 0.017 3.979 3.960 0.003 0.000 0.219 821 G HA3 0.017 3.979 3.960 0.003 0.000 0.219 821 G C 1.457 176.461 174.900 0.172 0.000 1.119 821 G CA 1.979 47.157 45.100 0.131 0.000 0.766 821 G HN 0.861 nan 8.290 nan 0.000 0.552 822 H N 0.120 119.247 119.070 0.095 0.000 2.363 822 H HA 0.024 4.582 4.556 0.003 0.000 0.301 822 H C 2.360 177.772 175.328 0.140 0.000 1.074 822 H CA 1.196 57.321 56.048 0.128 0.000 1.354 822 H CB -1.046 28.761 29.762 0.076 0.000 1.397 822 H HN 0.170 nan 8.280 nan 0.000 0.516 823 V N 1.762 121.379 119.914 -0.495 0.000 2.295 823 V HA -0.250 3.872 4.120 0.003 0.000 0.246 823 V C 2.687 178.728 176.094 -0.089 0.000 1.049 823 V CA 2.377 64.498 62.300 -0.298 0.000 1.024 823 V CB -1.010 30.599 31.823 -0.356 0.000 0.648 823 V HN 0.487 nan 8.190 nan 0.000 0.447 824 T N 0.292 114.823 114.554 -0.038 0.000 2.759 824 T HA -0.230 4.121 4.350 0.003 0.000 0.269 824 T C 1.680 176.431 174.700 0.084 0.000 1.042 824 T CA 2.065 64.183 62.100 0.029 0.000 1.140 824 T CB -0.427 68.472 68.868 0.053 0.000 0.864 824 T HN 0.476 nan 8.240 nan 0.000 0.455 825 F N 1.320 121.269 119.950 -0.001 0.000 2.206 825 F HA 0.115 4.644 4.527 0.003 0.000 0.298 825 F C 2.159 177.962 175.800 0.005 0.000 1.090 825 F CA 0.938 58.953 58.000 0.025 0.000 1.323 825 F CB -0.411 38.625 39.000 0.060 0.000 1.028 825 F HN 0.044 nan 8.300 nan 0.000 0.492 826 M N -0.070 119.459 119.600 -0.119 0.000 2.132 826 M HA -0.175 4.306 4.480 0.003 0.000 0.263 826 M C 2.061 178.266 176.300 -0.159 0.000 1.065 826 M CA 1.771 56.947 55.300 -0.207 0.000 1.122 826 M CB -0.600 31.945 32.600 -0.092 0.000 1.365 826 M HN 0.150 nan 8.290 nan 0.000 0.411 827 E N 0.513 120.663 120.200 -0.085 0.000 2.058 827 E HA -0.253 4.099 4.350 0.003 0.000 0.194 827 E C 1.991 178.542 176.600 -0.082 0.000 0.997 827 E CA 1.432 57.818 56.400 -0.022 0.000 0.801 827 E CB -0.191 29.508 29.700 -0.003 0.000 0.746 827 E HN 0.394 nan 8.360 nan 0.000 0.450 828 K N 0.732 121.052 120.400 -0.134 0.000 2.026 828 K HA -0.174 4.147 4.320 0.003 0.000 0.208 828 K C 2.199 178.660 176.600 -0.232 0.000 1.048 828 K CA 1.694 57.885 56.287 -0.160 0.000 0.929 828 K CB -0.223 32.221 32.500 -0.094 0.000 0.713 828 K HN 0.167 nan 8.250 nan 0.000 0.439 829 C N 0.496 119.572 119.300 -0.373 0.000 2.413 829 C HA -0.127 4.334 4.460 0.003 0.000 0.276 829 C C 2.437 177.318 174.990 -0.182 0.000 1.248 829 C CA 0.565 59.373 59.018 -0.351 0.000 1.742 829 C CB -1.167 26.243 27.740 -0.551 0.000 2.017 829 C HN 0.586 nan 8.230 nan 0.000 0.481 830 F N 2.088 121.863 119.950 -0.291 0.000 2.216 830 F HA -0.081 4.447 4.527 0.003 0.000 0.300 830 F C 2.200 177.892 175.800 -0.180 0.000 1.085 830 F CA 1.406 59.251 58.000 -0.259 0.000 1.326 830 F CB -0.563 38.286 39.000 -0.251 0.000 1.027 830 F HN 0.199 nan 8.300 nan 0.000 0.497 831 K N -0.159 119.987 120.400 -0.423 0.000 2.218 831 K HA -0.181 4.140 4.320 0.003 0.000 0.205 831 K C 1.498 177.916 176.600 -0.303 0.000 1.046 831 K CA 1.506 57.447 56.287 -0.576 0.000 0.933 831 K CB -0.170 32.001 32.500 -0.548 0.000 0.728 831 K HN 0.276 nan 8.250 nan 0.000 0.454 832 E N 0.357 120.426 120.200 -0.218 0.000 2.474 832 E HA 0.023 4.374 4.350 0.003 0.000 0.194 832 E C 0.255 176.815 176.600 -0.065 0.000 1.041 832 E CA 0.082 56.410 56.400 -0.120 0.000 0.874 832 E CB 0.098 29.751 29.700 -0.078 0.000 0.914 832 E HN -0.037 nan 8.360 nan 0.000 0.498 833 V N 2.548 122.379 119.914 -0.139 0.000 2.599 833 V HA -0.017 4.104 4.120 0.003 0.000 0.300 833 V C 0.246 176.441 176.094 0.169 0.000 1.034 833 V CA 0.259 62.526 62.300 -0.055 0.000 1.115 833 V CB 0.149 31.853 31.823 -0.199 0.000 0.934 833 V HN 0.116 nan 8.190 nan 0.000 0.485 834 N N 2.570 121.421 118.700 0.251 0.000 2.238 834 N HA 0.386 5.127 4.740 0.003 0.000 0.302 834 N C 0.362 176.183 175.510 0.517 0.000 1.072 834 N CA -0.824 52.432 53.050 0.343 0.000 0.792 834 N CB 1.510 40.126 38.487 0.215 0.000 1.425 834 N HN 0.507 nan 8.380 nan 0.000 0.478 835 L N 2.021 123.588 121.223 0.573 0.000 2.353 835 L HA 0.025 4.367 4.340 0.003 0.000 0.220 835 L C 1.572 178.741 176.870 0.498 0.000 1.133 835 L CA 1.618 56.793 54.840 0.558 0.000 0.798 835 L CB -0.315 41.940 42.059 0.326 0.000 0.922 835 L HN 0.710 nan 8.230 nan 0.000 0.445 836 Q N -0.559 119.465 119.800 0.374 0.000 2.378 836 Q HA -0.101 4.241 4.340 0.003 0.000 0.205 836 Q C 1.385 177.555 176.000 0.283 0.000 0.954 836 Q CA 0.753 56.723 55.803 0.280 0.000 0.901 836 Q CB -0.045 28.786 28.738 0.156 0.000 0.981 836 Q HN 0.572 nan 8.270 nan 0.000 0.483 837 D N -0.647 119.948 120.400 0.326 0.000 2.263 837 D HA -0.151 4.491 4.640 0.003 0.000 0.208 837 D C 0.725 177.104 176.300 0.130 0.000 0.971 837 D CA 0.940 55.047 54.000 0.178 0.000 0.867 837 D CB -0.084 40.766 40.800 0.082 0.000 0.929 837 D HN 0.343 nan 8.370 nan 0.000 0.492 838 Y N -0.915 119.522 120.300 0.229 0.000 2.461 838 Y HA 0.123 4.675 4.550 0.003 0.000 0.277 838 Y C 0.429 176.457 175.900 0.214 0.000 1.182 838 Y CA -0.257 57.995 58.100 0.253 0.000 1.276 838 Y CB -0.336 38.297 38.460 0.287 0.000 1.087 838 Y HN -0.008 nan 8.280 nan 0.000 0.519 839 H N 0.297 119.440 119.070 0.122 0.000 2.597 839 H HA 0.224 4.782 4.556 0.003 0.000 0.303 839 H C 0.887 175.872 175.328 -0.573 0.000 1.057 839 H CA -0.433 55.500 56.048 -0.191 0.000 1.261 839 H CB 0.875 30.620 29.762 -0.029 0.000 1.397 839 H HN 0.177 nan 8.280 nan 0.000 0.461 840 L N 7.258 127.714 121.223 -1.278 0.000 2.023 840 L HA 0.116 4.458 4.340 0.003 0.000 0.205 840 L C -0.964 175.543 176.870 -0.604 0.000 1.073 840 L CA 1.119 55.443 54.840 -0.861 0.000 0.745 840 L CB -0.690 40.727 42.059 -1.070 0.000 0.900 840 L HN 0.603 nan 8.230 nan 0.000 0.435 841 P HA -0.179 nan 4.420 nan 0.000 0.216 841 P C 0.880 178.103 177.300 -0.127 0.000 1.157 841 P CA 2.098 64.993 63.100 -0.342 0.000 0.880 841 P CB -0.262 31.279 31.700 -0.266 0.000 0.791 842 N N -0.895 117.803 118.700 -0.003 0.000 2.216 842 N HA -0.061 4.681 4.740 0.003 0.000 0.183 842 N C 1.799 177.278 175.510 -0.050 0.000 1.017 842 N CA 0.754 53.746 53.050 -0.096 0.000 0.861 842 N CB -0.433 37.889 38.487 -0.274 0.000 0.986 842 N HN 0.048 nan 8.380 nan 0.000 0.428 843 A N 1.545 124.344 122.820 -0.035 0.000 1.877 843 A HA -0.097 4.225 4.320 0.003 0.000 0.216 843 A C 2.141 179.733 177.584 0.014 0.000 1.186 843 A CA 1.109 53.146 52.037 -0.000 0.000 0.620 843 A CB -0.722 18.286 19.000 0.013 0.000 0.822 843 A HN 0.162 nan 8.150 nan 0.000 0.443 844 L N -0.962 120.252 121.223 -0.016 0.000 2.109 844 L HA -0.142 4.200 4.340 0.003 0.000 0.207 844 L C 2.582 179.475 176.870 0.038 0.000 1.086 844 L CA 1.700 56.559 54.840 0.031 0.000 0.760 844 L CB -0.413 41.631 42.059 -0.024 0.000 0.910 844 L HN 0.459 nan 8.230 nan 0.000 0.437 845 K N 1.186 121.586 120.400 -0.001 0.000 2.009 845 K HA -0.266 4.056 4.320 0.003 0.000 0.210 845 K C 2.241 178.853 176.600 0.020 0.000 1.049 845 K CA 1.843 58.133 56.287 0.006 0.000 0.929 845 K CB -0.054 32.435 32.500 -0.019 0.000 0.714 845 K HN 0.101 nan 8.250 nan 0.000 0.440 846 K N 0.478 120.886 120.400 0.013 0.000 2.147 846 K HA -0.164 4.158 4.320 0.003 0.000 0.205 846 K C 1.890 178.511 176.600 0.036 0.000 1.049 846 K CA 1.438 57.736 56.287 0.019 0.000 0.936 846 K CB -0.002 32.507 32.500 0.014 0.000 0.722 846 K HN 0.100 nan 8.250 nan 0.000 0.446 847 R N -0.679 119.853 120.500 0.055 0.000 2.236 847 R HA 0.037 4.379 4.340 0.003 0.000 0.208 847 R C 0.858 177.216 176.300 0.097 0.000 1.036 847 R CA 0.644 56.789 56.100 0.075 0.000 1.001 847 R CB 0.108 30.467 30.300 0.098 0.000 0.896 847 R HN 0.529 nan 8.270 nan 0.000 0.464 848 G N 0.848 109.703 108.800 0.092 0.000 2.198 848 G HA2 -0.245 3.717 3.960 0.003 0.000 0.257 848 G HA3 -0.245 3.717 3.960 0.003 0.000 0.257 848 G C 0.451 175.471 174.900 0.200 0.000 1.042 848 G CA 0.388 45.555 45.100 0.112 0.000 0.791 848 G HN 0.352 nan 8.290 nan 0.000 0.502 849 V N -2.246 117.781 119.914 0.189 0.000 3.276 849 V HA 0.418 4.539 4.120 0.003 0.000 0.319 849 V C 1.177 177.402 176.094 0.218 0.000 1.427 849 V CA 0.973 63.405 62.300 0.220 0.000 1.102 849 V CB 0.722 32.681 31.823 0.227 0.000 1.020 849 V HN 0.331 nan 8.190 nan 0.000 0.456 850 D N -0.595 119.885 120.400 0.133 0.000 2.340 850 D HA 0.052 4.694 4.640 0.003 0.000 0.217 850 D C 0.179 176.515 176.300 0.061 0.000 1.081 850 D CA 0.051 54.093 54.000 0.070 0.000 0.842 850 D CB 0.236 41.046 40.800 0.017 0.000 0.934 850 D HN 0.500 nan 8.370 nan 0.000 0.511 851 D N 0.804 121.257 120.400 0.089 0.000 2.373 851 D HA 0.221 4.863 4.640 0.003 0.000 0.227 851 D C -1.817 174.530 176.300 0.078 0.000 1.091 851 D CA -2.333 51.712 54.000 0.075 0.000 0.840 851 D CB 2.238 43.085 40.800 0.077 0.000 1.060 851 D HN -0.170 nan 8.370 nan 0.000 0.502 852 P HA -0.127 nan 4.420 nan 0.000 0.216 852 P C 1.401 178.734 177.300 0.056 0.000 1.153 852 P CA 1.095 64.225 63.100 0.050 0.000 0.848 852 P CB 0.128 31.852 31.700 0.041 0.000 0.787 853 S N -0.733 115.005 115.700 0.064 0.000 2.442 853 S HA -0.131 4.341 4.470 0.003 0.000 0.236 853 S C 1.682 176.355 174.600 0.120 0.000 1.007 853 S CA 1.036 59.282 58.200 0.076 0.000 0.965 853 S CB -0.768 62.473 63.200 0.069 0.000 0.773 853 S HN 0.081 nan 8.310 nan 0.000 0.504 854 K N -0.089 120.395 120.400 0.139 0.000 2.313 854 K HA 0.357 4.678 4.320 0.003 0.000 0.197 854 K C -0.012 176.726 176.600 0.230 0.000 1.061 854 K CA 0.111 56.541 56.287 0.238 0.000 0.980 854 K CB -0.077 32.546 32.500 0.204 0.000 0.888 854 K HN 0.425 nan 8.250 nan 0.000 0.502 855 L N 3.622 124.895 121.223 0.083 0.000 2.454 855 L HA 0.352 4.693 4.340 0.003 0.000 0.258 855 L C -2.860 173.966 176.870 -0.073 0.000 1.025 855 L CA -1.925 52.852 54.840 -0.106 0.000 0.901 855 L CB 1.698 43.558 42.059 -0.332 0.000 1.210 855 L HN -0.133 nan 8.230 nan 0.000 0.457 856 P HA 0.424 nan 4.420 nan 0.000 0.280 856 P C 0.195 177.430 177.300 -0.109 0.000 1.272 856 P CA 0.013 63.088 63.100 -0.041 0.000 0.819 856 P CB 1.247 32.941 31.700 -0.009 0.000 1.122 857 G N -0.134 108.581 108.800 -0.142 0.000 2.298 857 G HA2 -0.233 3.728 3.960 0.003 0.000 0.287 857 G HA3 -0.233 3.728 3.960 0.003 0.000 0.287 857 G C -0.565 173.851 174.900 -0.807 0.000 1.075 857 G CA -0.273 44.582 45.100 -0.407 0.000 0.960 857 G HN 0.500 nan 8.290 nan 0.000 0.502 858 F N 1.271 120.653 119.950 -0.947 0.000 2.564 858 F HA 0.584 5.113 4.527 0.003 0.000 0.368 858 F C 0.820 176.232 175.800 -0.647 0.000 1.127 858 F CA -2.807 54.773 58.000 -0.700 0.000 1.170 858 F CB 0.163 38.939 39.000 -0.373 0.000 1.397 858 F HN 0.170 nan 8.300 nan 0.000 0.493 859 Y N 2.573 122.783 120.300 -0.151 0.000 2.420 859 Y HA -0.155 4.397 4.550 0.003 0.000 0.292 859 Y C 2.139 177.757 175.900 -0.470 0.000 1.119 859 Y CA 0.876 58.781 58.100 -0.325 0.000 1.229 859 Y CB -0.681 37.623 38.460 -0.261 0.000 1.026 859 Y HN 0.531 nan 8.280 nan 0.000 0.554 860 Y N 2.146 122.036 120.300 -0.683 0.000 2.062 860 Y HA -0.389 4.163 4.550 0.003 0.000 0.276 860 Y C 2.747 178.429 175.900 -0.365 0.000 1.189 860 Y CA 2.147 60.049 58.100 -0.330 0.000 1.130 860 Y CB -0.520 37.862 38.460 -0.131 0.000 0.959 860 Y HN 0.047 nan 8.280 nan 0.000 0.499 861 R N 0.117 119.999 120.500 -1.029 0.000 2.082 861 R HA -0.185 4.157 4.340 0.003 0.000 0.234 861 R C 1.854 177.882 176.300 -0.454 0.000 1.136 861 R CA 2.259 57.791 56.100 -0.946 0.000 0.935 861 R CB -0.531 29.024 30.300 -1.243 0.000 0.842 861 R HN 0.390 nan 8.270 nan 0.000 0.430 862 D N 0.468 120.694 120.400 -0.290 0.000 2.117 862 D HA -0.135 4.506 4.640 0.003 0.000 0.197 862 D C 1.545 177.832 176.300 -0.023 0.000 0.987 862 D CA 1.310 55.255 54.000 -0.092 0.000 0.829 862 D CB -0.393 40.423 40.800 0.026 0.000 0.961 862 D HN 0.333 nan 8.370 nan 0.000 0.460 863 D N 0.198 120.609 120.400 0.018 0.000 2.103 863 D HA -0.042 4.599 4.640 0.003 0.000 0.199 863 D C 2.222 178.588 176.300 0.110 0.000 0.978 863 D CA 1.242 55.310 54.000 0.112 0.000 0.829 863 D CB -0.766 40.180 40.800 0.243 0.000 0.981 863 D HN 0.233 nan 8.370 nan 0.000 0.464 864 G N 1.255 110.058 108.800 0.004 0.000 2.491 864 G HA2 -0.253 3.709 3.960 0.003 0.000 0.218 864 G HA3 -0.253 3.709 3.960 0.003 0.000 0.218 864 G C 1.729 176.707 174.900 0.130 0.000 1.180 864 G CA 0.626 45.778 45.100 0.088 0.000 0.774 864 G HN 0.260 nan 8.290 nan 0.000 0.562 865 L N 0.704 121.897 121.223 -0.049 0.000 2.131 865 L HA -0.054 4.287 4.340 0.003 0.000 0.210 865 L C 3.380 180.320 176.870 0.118 0.000 1.092 865 L CA 0.935 55.766 54.840 -0.015 0.000 0.759 865 L CB -0.349 41.658 42.059 -0.087 0.000 0.903 865 L HN 0.330 nan 8.230 nan 0.000 0.435 866 A N -0.005 122.885 122.820 0.116 0.000 1.898 866 A HA -0.107 4.215 4.320 0.003 0.000 0.216 866 A C 2.237 179.942 177.584 0.202 0.000 1.181 866 A CA 1.192 53.310 52.037 0.136 0.000 0.620 866 A CB -0.529 18.533 19.000 0.103 0.000 0.819 866 A HN 0.341 nan 8.150 nan 0.000 0.442 867 L N -1.598 119.786 121.223 0.268 0.000 2.093 867 L HA -0.167 4.174 4.340 0.003 0.000 0.208 867 L C 2.603 179.723 176.870 0.417 0.000 1.085 867 L CA 1.153 56.198 54.840 0.341 0.000 0.755 867 L CB -0.467 41.825 42.059 0.389 0.000 0.904 867 L HN 0.786 nan 8.230 nan 0.000 0.435 868 W N 1.677 123.105 121.300 0.214 0.000 2.335 868 W HA -0.244 4.417 4.660 0.003 0.000 0.311 868 W C 2.210 178.752 176.519 0.039 0.000 1.213 868 W CA 2.153 59.513 57.345 0.024 0.000 1.274 868 W CB -0.154 29.103 29.460 -0.337 0.000 1.148 868 W HN 0.314 nan 8.180 nan 0.000 0.498 869 E N 0.421 120.786 120.200 0.275 0.000 2.077 869 E HA -0.189 4.163 4.350 0.003 0.000 0.193 869 E C 2.340 179.000 176.600 0.100 0.000 0.989 869 E CA 1.602 58.104 56.400 0.170 0.000 0.800 869 E CB -0.336 29.472 29.700 0.181 0.000 0.746 869 E HN 0.168 nan 8.360 nan 0.000 0.452 870 A N 1.053 123.976 122.820 0.171 0.000 1.883 870 A HA -0.183 4.138 4.320 0.003 0.000 0.217 870 A C 2.149 179.892 177.584 0.265 0.000 1.186 870 A CA 1.485 53.679 52.037 0.261 0.000 0.624 870 A CB -0.638 18.552 19.000 0.318 0.000 0.822 870 A HN 0.318 nan 8.150 nan 0.000 0.444 871 I N -0.780 119.899 120.570 0.181 0.000 2.179 871 I HA -0.248 3.924 4.170 0.003 0.000 0.242 871 I C 2.580 178.571 176.117 -0.211 0.000 1.088 871 I CA 1.740 63.022 61.300 -0.030 0.000 1.357 871 I CB -0.347 37.660 38.000 0.012 0.000 1.051 871 I HN 0.514 nan 8.210 nan 0.000 0.409 872 E N 0.603 120.613 120.200 -0.316 0.000 2.058 872 E HA -0.235 4.117 4.350 0.003 0.000 0.194 872 E C 2.094 178.592 176.600 -0.171 0.000 0.997 872 E CA 2.067 58.273 56.400 -0.324 0.000 0.801 872 E CB 0.033 29.537 29.700 -0.327 0.000 0.746 872 E HN 0.416 nan 8.360 nan 0.000 0.450 873 T N 0.783 115.293 114.554 -0.073 0.000 2.684 873 T HA -0.194 4.158 4.350 0.003 0.000 0.267 873 T C 1.419 176.098 174.700 -0.035 0.000 1.036 873 T CA 1.476 63.564 62.100 -0.019 0.000 1.148 873 T CB -0.500 68.400 68.868 0.054 0.000 0.863 873 T HN 0.278 nan 8.240 nan 0.000 0.436 874 F N 1.748 121.554 119.950 -0.240 0.000 2.102 874 F HA -0.007 4.522 4.527 0.003 0.000 0.298 874 F C 1.969 177.597 175.800 -0.288 0.000 1.105 874 F CA 0.747 58.538 58.000 -0.348 0.000 1.239 874 F CB -0.686 37.769 39.000 -0.908 0.000 0.991 874 F HN 0.100 nan 8.300 nan 0.000 0.474 875 I N 0.498 120.710 120.570 -0.597 0.000 2.163 875 I HA -0.262 3.909 4.170 0.003 0.000 0.243 875 I C 2.772 178.654 176.117 -0.392 0.000 1.085 875 I CA 1.539 62.480 61.300 -0.598 0.000 1.347 875 I CB -1.406 36.356 38.000 -0.396 0.000 1.044 875 I HN 0.337 nan 8.210 nan 0.000 0.408 876 G N 0.194 108.838 108.800 -0.260 0.000 2.450 876 G HA2 -0.235 3.727 3.960 0.003 0.000 0.220 876 G HA3 -0.235 3.727 3.960 0.003 0.000 0.220 876 G C 1.534 176.345 174.900 -0.148 0.000 1.130 876 G CA 0.671 45.671 45.100 -0.166 0.000 0.760 876 G HN 0.436 nan 8.290 nan 0.000 0.557 877 E N -0.219 119.876 120.200 -0.175 0.000 2.107 877 E HA -0.010 4.342 4.350 0.003 0.000 0.191 877 E C 2.510 179.004 176.600 -0.177 0.000 0.982 877 E CA 0.206 56.524 56.400 -0.137 0.000 0.809 877 E CB -0.017 29.635 29.700 -0.079 0.000 0.756 877 E HN 0.282 nan 8.360 nan 0.000 0.459 878 I N 1.250 121.637 120.570 -0.305 0.000 2.179 878 I HA -0.263 3.909 4.170 0.003 0.000 0.242 878 I C 2.366 178.495 176.117 0.019 0.000 1.088 878 I CA 1.382 62.547 61.300 -0.224 0.000 1.357 878 I CB -0.816 36.927 38.000 -0.428 0.000 1.051 878 I HN 0.169 nan 8.210 nan 0.000 0.409 879 I N 1.057 121.613 120.570 -0.024 0.000 2.163 879 I HA -0.279 3.893 4.170 0.003 0.000 0.243 879 I C 2.685 178.902 176.117 0.167 0.000 1.085 879 I CA 1.503 62.882 61.300 0.131 0.000 1.347 879 I CB -0.497 37.485 38.000 -0.030 0.000 1.044 879 I HN 0.125 nan 8.210 nan 0.000 0.408 880 A N 0.708 123.540 122.820 0.021 0.000 2.015 880 A HA -0.112 4.210 4.320 0.003 0.000 0.219 880 A C 2.262 179.796 177.584 -0.083 0.000 1.163 880 A CA 1.198 53.229 52.037 -0.009 0.000 0.646 880 A CB -0.757 18.218 19.000 -0.042 0.000 0.806 880 A HN 0.410 nan 8.150 nan 0.000 0.448 881 I N -2.114 118.344 120.570 -0.187 0.000 2.226 881 I HA -0.232 3.940 4.170 0.003 0.000 0.245 881 I C 1.953 177.695 176.117 -0.625 0.000 1.100 881 I CA 1.465 62.476 61.300 -0.482 0.000 1.374 881 I CB -0.214 37.330 38.000 -0.760 0.000 1.057 881 I HN 0.367 nan 8.210 nan 0.000 0.413 882 F N -1.561 118.338 119.950 -0.085 0.000 2.602 882 F HA 0.155 4.684 4.527 0.003 0.000 0.284 882 F C 0.264 175.874 175.800 -0.316 0.000 1.111 882 F CA -0.278 57.581 58.000 -0.236 0.000 1.405 882 F CB 0.072 38.858 39.000 -0.357 0.000 1.121 882 F HN -0.190 nan 8.300 nan 0.000 0.603 883 Y N 1.297 121.654 120.300 0.094 0.000 2.369 883 Y HA 0.310 4.862 4.550 0.003 0.000 0.337 883 Y C 1.049 176.972 175.900 0.038 0.000 0.961 883 Y CA -1.064 57.086 58.100 0.083 0.000 1.186 883 Y CB 0.839 39.339 38.460 0.068 0.000 1.139 883 Y HN -0.244 nan 8.280 nan 0.000 0.494 884 K N 2.089 122.591 120.400 0.171 0.000 2.418 884 K HA 0.060 4.381 4.320 0.003 0.000 0.195 884 K C -0.286 176.367 176.600 0.088 0.000 1.035 884 K CA 0.433 56.774 56.287 0.089 0.000 1.003 884 K CB -0.267 32.268 32.500 0.058 0.000 0.793 884 K HN 0.894 nan 8.250 nan 0.000 0.494 885 N N -1.923 116.852 118.700 0.125 0.000 3.387 885 N HA 0.068 4.810 4.740 0.003 0.000 0.294 885 N C -0.299 175.263 175.510 0.088 0.000 1.519 885 N CA -0.553 52.546 53.050 0.081 0.000 0.875 885 N CB 0.002 38.523 38.487 0.056 0.000 1.657 885 N HN -0.399 nan 8.380 nan 0.000 0.527 886 D N -0.725 119.707 120.400 0.052 0.000 2.183 886 D HA -0.062 4.580 4.640 0.003 0.000 0.203 886 D C 0.700 177.034 176.300 0.057 0.000 0.969 886 D CA 1.137 55.162 54.000 0.041 0.000 0.842 886 D CB -0.264 40.553 40.800 0.028 0.000 0.957 886 D HN 0.695 nan 8.370 nan 0.000 0.484 887 D N 0.501 120.929 120.400 0.046 0.000 2.144 887 D HA -0.137 4.504 4.640 0.003 0.000 0.200 887 D C 1.282 177.596 176.300 0.024 0.000 0.978 887 D CA 0.923 54.932 54.000 0.015 0.000 0.833 887 D CB 0.153 40.941 40.800 -0.019 0.000 0.961 887 D HN -0.080 nan 8.370 nan 0.000 0.470 888 D N -0.454 120.024 120.400 0.130 0.000 2.123 888 D HA -0.136 4.505 4.640 0.003 0.000 0.196 888 D C 2.250 178.870 176.300 0.532 0.000 0.992 888 D CA 0.689 54.912 54.000 0.372 0.000 0.833 888 D CB -0.319 40.793 40.800 0.519 0.000 0.954 888 D HN 0.170 nan 8.370 nan 0.000 0.455 889 V N 0.999 121.112 119.914 0.332 0.000 2.261 889 V HA -0.264 3.858 4.120 0.003 0.000 0.246 889 V C 2.548 178.771 176.094 0.214 0.000 1.047 889 V CA 1.844 64.241 62.300 0.162 0.000 1.015 889 V CB -0.544 31.220 31.823 -0.099 0.000 0.642 889 V HN 0.136 nan 8.190 nan 0.000 0.446 890 K N -0.335 120.148 120.400 0.137 0.000 2.063 890 K HA -0.128 4.194 4.320 0.003 0.000 0.208 890 K C 2.131 178.785 176.600 0.090 0.000 1.048 890 K CA 1.483 57.830 56.287 0.100 0.000 0.928 890 K CB -0.561 31.964 32.500 0.042 0.000 0.713 890 K HN 0.592 nan 8.250 nan 0.000 0.442 891 R N 0.903 121.420 120.500 0.028 0.000 2.307 891 R HA 0.034 4.376 4.340 0.003 0.000 0.199 891 R C 0.612 177.024 176.300 0.186 0.000 1.000 891 R CA 0.489 56.550 56.100 -0.066 0.000 1.023 891 R CB -0.153 29.836 30.300 -0.519 0.000 0.908 891 R HN 0.273 nan 8.270 nan 0.000 0.473 892 D N 0.580 121.234 120.400 0.424 0.000 2.374 892 D HA -0.033 4.608 4.640 0.003 0.000 0.240 892 D C 0.490 176.994 176.300 0.341 0.000 1.229 892 D CA -0.020 54.307 54.000 0.545 0.000 0.895 892 D CB 0.521 41.712 40.800 0.652 0.000 1.046 892 D HN -0.108 nan 8.370 nan 0.000 0.498 893 N N 3.298 122.163 118.700 0.274 0.000 2.381 893 N HA -0.140 4.602 4.740 0.003 0.000 0.182 893 N C 1.133 176.747 175.510 0.175 0.000 1.025 893 N CA 1.164 54.325 53.050 0.184 0.000 0.888 893 N CB 0.292 38.861 38.487 0.137 0.000 0.965 893 N HN 0.498 nan 8.380 nan 0.000 0.438 894 E N -0.404 119.896 120.200 0.167 0.000 2.033 894 E HA -0.085 4.267 4.350 0.003 0.000 0.189 894 E C 1.672 178.332 176.600 0.100 0.000 0.979 894 E CA 0.717 57.162 56.400 0.076 0.000 0.802 894 E CB -0.042 29.618 29.700 -0.066 0.000 0.763 894 E HN 0.302 nan 8.360 nan 0.000 0.449 895 I N 1.481 122.132 120.570 0.136 0.000 2.361 895 I HA -0.264 3.908 4.170 0.003 0.000 0.251 895 I C 2.067 178.474 176.117 0.483 0.000 1.133 895 I CA 1.270 62.725 61.300 0.258 0.000 1.413 895 I CB 0.008 38.160 38.000 0.252 0.000 1.073 895 I HN 0.035 nan 8.210 nan 0.000 0.424 896 Q N -0.147 119.874 119.800 0.369 0.000 2.050 896 Q HA -0.132 4.210 4.340 0.003 0.000 0.202 896 Q C 2.431 178.595 176.000 0.272 0.000 0.980 896 Q CA 1.915 57.898 55.803 0.299 0.000 0.840 896 Q CB -0.770 28.084 28.738 0.195 0.000 0.898 896 Q HN 0.459 nan 8.270 nan 0.000 0.424 897 S N 0.463 116.316 115.700 0.256 0.000 2.382 897 S HA -0.155 4.317 4.470 0.003 0.000 0.228 897 S C 1.367 176.162 174.600 0.325 0.000 1.027 897 S CA 1.022 59.382 58.200 0.266 0.000 0.991 897 S CB -0.396 62.933 63.200 0.215 0.000 0.823 897 S HN 0.521 nan 8.310 nan 0.000 0.469 898 W N 1.750 123.133 121.300 0.139 0.000 2.355 898 W HA -0.107 4.555 4.660 0.003 0.000 0.309 898 W C 1.837 178.420 176.519 0.106 0.000 1.206 898 W CA 0.925 58.346 57.345 0.127 0.000 1.284 898 W CB -0.449 29.091 29.460 0.132 0.000 1.145 898 W HN 0.227 nan 8.180 nan 0.000 0.502 899 I N -0.369 120.342 120.570 0.235 0.000 2.500 899 I HA -0.146 4.025 4.170 0.003 0.000 0.252 899 I C 2.187 178.191 176.117 -0.187 0.000 1.142 899 I CA 1.319 62.515 61.300 -0.173 0.000 1.451 899 I CB -1.218 36.636 38.000 -0.243 0.000 1.093 899 I HN 0.187 nan 8.210 nan 0.000 0.430 900 Y N 0.911 121.149 120.300 -0.104 0.000 2.200 900 Y HA -0.240 4.312 4.550 0.003 0.000 0.290 900 Y C 2.251 178.139 175.900 -0.020 0.000 1.137 900 Y CA 2.104 60.172 58.100 -0.054 0.000 1.163 900 Y CB -0.363 38.088 38.460 -0.015 0.000 0.988 900 Y HN 0.249 nan 8.280 nan 0.000 0.518 901 D N -0.594 119.804 120.400 -0.004 0.000 2.144 901 D HA -0.157 4.484 4.640 0.003 0.000 0.199 901 D C 2.131 178.293 176.300 -0.231 0.000 0.984 901 D CA 1.465 55.453 54.000 -0.020 0.000 0.834 901 D CB -0.112 40.824 40.800 0.226 0.000 0.955 901 D HN 0.274 nan 8.370 nan 0.000 0.465 902 V N -0.204 119.470 119.914 -0.399 0.000 2.548 902 V HA -0.182 3.940 4.120 0.003 0.000 0.249 902 V C 2.258 178.016 176.094 -0.560 0.000 1.055 902 V CA 1.876 63.788 62.300 -0.645 0.000 1.065 902 V CB -0.687 30.346 31.823 -1.317 0.000 0.681 902 V HN 0.363 nan 8.190 nan 0.000 0.462 903 H N 0.987 119.719 119.070 -0.564 0.000 2.321 903 H HA -0.181 4.377 4.556 0.003 0.000 0.300 903 H C 2.205 177.272 175.328 -0.435 0.000 1.087 903 H CA 2.427 58.206 56.048 -0.448 0.000 1.319 903 H CB 0.089 29.602 29.762 -0.415 0.000 1.379 903 H HN 0.302 nan 8.280 nan 0.000 0.501 904 K N -0.069 119.899 120.400 -0.719 0.000 2.141 904 K HA 0.092 4.414 4.320 0.003 0.000 0.202 904 K C 1.256 177.535 176.600 -0.536 0.000 1.045 904 K CA 1.631 57.500 56.287 -0.697 0.000 0.971 904 K CB 0.206 32.199 32.500 -0.845 0.000 0.795 904 K HN 0.478 nan 8.250 nan 0.000 0.459 905 N N -1.134 117.204 118.700 -0.604 0.000 2.254 905 N HA 0.152 4.894 4.740 0.003 0.000 0.190 905 N C 1.036 175.920 175.510 -1.042 0.000 1.107 905 N CA 0.327 52.902 53.050 -0.791 0.000 0.869 905 N CB 1.058 38.930 38.487 -1.025 0.000 0.983 905 N HN 0.257 nan 8.380 nan 0.000 0.487 906 G N -0.054 108.275 108.800 -0.785 0.000 2.760 906 G HA2 -0.021 3.941 3.960 0.003 0.000 0.214 906 G HA3 -0.021 3.941 3.960 0.003 0.000 0.214 906 G C -0.505 174.459 174.900 0.107 0.000 1.212 906 G CA -0.191 44.603 45.100 -0.511 0.000 0.858 906 G HN 0.142 nan 8.290 nan 0.000 0.611 907 W N 3.026 124.210 121.300 -0.193 0.000 2.060 907 W HA 0.607 5.269 4.660 0.003 0.000 0.347 907 W C -0.092 176.440 176.519 0.022 0.000 0.831 907 W CA -1.826 55.545 57.345 0.044 0.000 1.590 907 W CB -0.369 29.125 29.460 0.056 0.000 1.737 907 W HN -0.021 nan 8.180 nan 0.000 0.329 908 R N 0.874 121.461 120.500 0.144 0.000 2.401 908 R HA 0.229 4.570 4.340 0.003 0.000 0.299 908 R C 0.141 176.409 176.300 -0.053 0.000 1.064 908 R CA -0.400 55.653 56.100 -0.079 0.000 1.000 908 R CB 0.925 31.083 30.300 -0.236 0.000 0.973 908 R HN -0.067 nan 8.270 nan 0.000 0.438 909 V N 5.064 124.907 119.914 -0.118 0.000 2.266 909 V HA -0.024 4.097 4.120 0.003 0.000 0.240 909 V C 0.344 176.250 176.094 -0.314 0.000 1.225 909 V CA 0.074 62.240 62.300 -0.222 0.000 1.237 909 V CB -0.811 30.886 31.823 -0.210 0.000 1.343 909 V HN 0.635 nan 8.190 nan 0.000 0.496 910 N N 4.897 123.236 118.700 -0.601 0.000 2.447 910 N HA 0.432 5.174 4.740 0.003 0.000 0.271 910 N C -2.551 172.846 175.510 -0.188 0.000 1.226 910 N CA -1.996 50.785 53.050 -0.450 0.000 0.980 910 N CB 0.595 38.778 38.487 -0.506 0.000 1.206 910 N HN 0.185 nan 8.380 nan 0.000 0.558 911 P HA 0.107 nan 4.420 nan 0.000 0.263 911 P C 0.431 177.805 177.300 0.122 0.000 1.195 911 P CA 0.856 63.964 63.100 0.014 0.000 0.762 911 P CB 0.213 31.910 31.700 -0.005 0.000 0.799 912 G N 1.494 110.344 108.800 0.085 0.000 2.157 912 G HA2 -0.186 3.775 3.960 0.003 0.000 0.239 912 G HA3 -0.186 3.775 3.960 0.003 0.000 0.239 912 G C 0.050 174.967 174.900 0.030 0.000 0.982 912 G CA -0.449 44.684 45.100 0.055 0.000 0.650 912 G HN 0.646 nan 8.290 nan 0.000 0.527 913 H N 0.849 119.854 119.070 -0.109 0.000 2.467 913 H HA 0.362 4.919 4.556 0.003 0.000 0.331 913 H C 0.305 175.480 175.328 -0.254 0.000 1.120 913 H CA -0.673 55.263 56.048 -0.188 0.000 1.270 913 H CB 1.000 30.632 29.762 -0.215 0.000 1.466 913 H HN 0.206 nan 8.280 nan 0.000 0.504 914 Q N 1.404 121.072 119.800 -0.220 0.000 2.492 914 Q HA -0.008 4.334 4.340 0.003 0.000 0.238 914 Q C -0.165 175.583 176.000 -0.420 0.000 1.045 914 Q CA -0.089 55.573 55.803 -0.235 0.000 0.934 914 Q CB 0.655 29.289 28.738 -0.173 0.000 1.276 914 Q HN 0.629 nan 8.270 nan 0.000 0.521 915 D N 0.032 120.275 120.400 -0.261 0.000 2.488 915 D HA -0.093 4.549 4.640 0.003 0.000 0.238 915 D C 0.265 176.440 176.300 -0.208 0.000 1.138 915 D CA 0.382 54.244 54.000 -0.230 0.000 0.873 915 D CB 0.504 41.261 40.800 -0.073 0.000 1.183 915 D HN 0.322 nan 8.370 nan 0.000 0.458 916 H N 2.911 122.014 119.070 0.055 0.000 2.517 916 H HA 0.225 4.783 4.556 0.003 0.000 0.282 916 H C 1.519 176.993 175.328 0.245 0.000 1.023 916 H CA 0.537 56.671 56.048 0.144 0.000 1.169 916 H CB 0.505 30.397 29.762 0.216 0.000 1.454 916 H HN 0.694 nan 8.280 nan 0.000 0.556 917 G N 1.158 110.103 108.800 0.241 0.000 2.166 917 G HA2 -0.294 3.667 3.960 0.003 0.000 0.260 917 G HA3 -0.294 3.667 3.960 0.003 0.000 0.260 917 G C 0.256 175.264 174.900 0.180 0.000 0.986 917 G CA 0.568 45.789 45.100 0.202 0.000 0.683 917 G HN 0.257 nan 8.290 nan 0.000 0.527 918 V N 2.878 122.899 119.914 0.179 0.000 2.385 918 V HA 0.423 4.544 4.120 0.003 0.000 0.269 918 V C -0.979 175.156 176.094 0.068 0.000 1.043 918 V CA -1.385 60.952 62.300 0.062 0.000 0.906 918 V CB 1.371 33.150 31.823 -0.073 0.000 0.995 918 V HN 0.235 nan 8.190 nan 0.000 0.467 919 P HA 0.215 nan 4.420 nan 0.000 0.272 919 P C 0.292 177.349 177.300 -0.405 0.000 1.240 919 P CA -0.315 62.671 63.100 -0.191 0.000 0.791 919 P CB 1.248 32.817 31.700 -0.218 0.000 0.978 920 A N 0.778 123.277 122.820 -0.535 0.000 2.147 920 A HA 0.213 4.534 4.320 0.003 0.000 0.211 920 A C 0.924 178.381 177.584 -0.211 0.000 1.160 920 A CA 1.047 52.714 52.037 -0.617 0.000 0.781 920 A CB -0.473 18.176 19.000 -0.585 0.000 0.842 920 A HN 0.710 nan 8.150 nan 0.000 0.475 921 S N -2.333 113.220 115.700 -0.244 0.000 2.656 921 S HA 0.744 5.215 4.470 0.003 0.000 0.273 921 S C -1.008 173.423 174.600 -0.281 0.000 1.168 921 S CA -0.770 57.321 58.200 -0.182 0.000 0.817 921 S CB 0.682 63.849 63.200 -0.055 0.000 1.146 921 S HN 0.095 nan 8.310 nan 0.000 0.475 922 F N 0.872 120.860 119.950 0.065 0.000 2.436 922 F HA 0.506 5.035 4.527 0.003 0.000 0.340 922 F C 1.404 177.220 175.800 0.027 0.000 1.113 922 F CA -0.505 57.526 58.000 0.051 0.000 1.022 922 F CB 1.902 40.936 39.000 0.057 0.000 1.128 922 F HN 0.783 nan 8.300 nan 0.000 0.466 923 E N 0.729 121.062 120.200 0.222 0.000 2.340 923 E HA 0.051 4.403 4.350 0.003 0.000 0.198 923 E C -0.063 176.592 176.600 0.092 0.000 0.961 923 E CA 0.143 56.616 56.400 0.122 0.000 0.905 923 E CB 0.619 30.367 29.700 0.080 0.000 0.884 923 E HN 0.542 nan 8.360 nan 0.000 0.491 924 S N -1.489 114.266 115.700 0.091 0.000 2.618 924 S HA 0.393 4.864 4.470 0.003 0.000 0.277 924 S C 0.341 174.906 174.600 -0.059 0.000 1.138 924 S CA -0.937 57.277 58.200 0.023 0.000 0.844 924 S CB 1.809 65.029 63.200 0.033 0.000 1.127 924 S HN -0.033 nan 8.310 nan 0.000 0.474 925 R N 0.526 120.973 120.500 -0.089 0.000 2.105 925 R HA -0.113 4.229 4.340 0.003 0.000 0.239 925 R C 1.412 177.638 176.300 -0.122 0.000 1.135 925 R CA 1.960 57.968 56.100 -0.154 0.000 0.967 925 R CB -0.482 29.761 30.300 -0.095 0.000 0.861 925 R HN 0.680 nan 8.270 nan 0.000 0.442 926 E N 0.609 120.782 120.200 -0.046 0.000 2.110 926 E HA -0.188 4.164 4.350 0.003 0.000 0.193 926 E C 1.898 178.507 176.600 0.016 0.000 0.988 926 E CA 1.051 57.446 56.400 -0.008 0.000 0.804 926 E CB -0.110 29.607 29.700 0.028 0.000 0.745 926 E HN 0.331 nan 8.360 nan 0.000 0.458 927 Q N -0.156 119.669 119.800 0.041 0.000 2.083 927 Q HA -0.104 4.237 4.340 0.003 0.000 0.198 927 Q C 2.110 178.150 176.000 0.066 0.000 0.969 927 Q CA 0.768 56.654 55.803 0.139 0.000 0.838 927 Q CB -0.090 28.795 28.738 0.244 0.000 0.900 927 Q HN 0.265 nan 8.270 nan 0.000 0.436 928 L N 1.660 122.720 121.223 -0.272 0.000 2.043 928 L HA -0.232 4.110 4.340 0.003 0.000 0.212 928 L C 2.291 178.960 176.870 -0.335 0.000 1.075 928 L CA 2.018 56.419 54.840 -0.733 0.000 0.752 928 L CB -0.553 40.978 42.059 -0.880 0.000 0.891 928 L HN 0.120 nan 8.230 nan 0.000 0.432 929 K N -0.526 119.748 120.400 -0.211 0.000 2.009 929 K HA -0.283 4.038 4.320 0.003 0.000 0.210 929 K C 2.190 178.745 176.600 -0.074 0.000 1.049 929 K CA 2.021 58.220 56.287 -0.146 0.000 0.929 929 K CB -0.286 32.145 32.500 -0.115 0.000 0.714 929 K HN 0.535 nan 8.250 nan 0.000 0.440 930 E N -0.137 120.086 120.200 0.038 0.000 2.085 930 E HA -0.182 4.169 4.350 0.003 0.000 0.194 930 E C 1.823 178.521 176.600 0.164 0.000 0.994 930 E CA 1.482 57.981 56.400 0.165 0.000 0.801 930 E CB 0.147 30.014 29.700 0.278 0.000 0.743 930 E HN 0.171 nan 8.360 nan 0.000 0.453 931 V N 0.978 120.995 119.914 0.172 0.000 2.346 931 V HA -0.208 3.913 4.120 0.003 0.000 0.244 931 V C 2.399 178.549 176.094 0.093 0.000 1.037 931 V CA 1.227 63.651 62.300 0.206 0.000 1.029 931 V CB -0.348 31.736 31.823 0.435 0.000 0.663 931 V HN 0.332 nan 8.190 nan 0.000 0.454 932 L N -0.157 121.092 121.223 0.043 0.000 2.083 932 L HA -0.186 4.156 4.340 0.003 0.000 0.209 932 L C 2.598 179.401 176.870 -0.111 0.000 1.083 932 L CA 1.930 56.755 54.840 -0.025 0.000 0.752 932 L CB -0.967 41.020 42.059 -0.121 0.000 0.899 932 L HN 0.377 nan 8.230 nan 0.000 0.433 933 T N -1.096 113.336 114.554 -0.203 0.000 2.777 933 T HA -0.136 4.215 4.350 0.003 0.000 0.266 933 T C 2.117 176.596 174.700 -0.368 0.000 1.040 933 T CA 1.535 63.373 62.100 -0.437 0.000 1.141 933 T CB -0.117 68.279 68.868 -0.786 0.000 0.868 933 T HN 0.297 nan 8.240 nan 0.000 0.444 934 S N 1.548 117.195 115.700 -0.088 0.000 2.383 934 S HA -0.068 4.404 4.470 0.003 0.000 0.229 934 S C 1.916 176.609 174.600 0.156 0.000 1.030 934 S CA 0.793 59.144 58.200 0.252 0.000 1.002 934 S CB -0.468 62.943 63.200 0.351 0.000 0.829 934 S HN 0.246 nan 8.310 nan 0.000 0.467 935 L N 1.811 123.000 121.223 -0.056 0.000 2.023 935 L HA 0.068 4.409 4.340 0.003 0.000 0.205 935 L C 2.216 179.057 176.870 -0.049 0.000 1.073 935 L CA 1.493 56.206 54.840 -0.211 0.000 0.745 935 L CB -0.752 41.133 42.059 -0.288 0.000 0.900 935 L HN 0.129 nan 8.230 nan 0.000 0.435 936 V N -0.477 119.462 119.914 0.042 0.000 2.407 936 V HA -0.295 3.826 4.120 0.003 0.000 0.248 936 V C 2.346 178.510 176.094 0.116 0.000 1.055 936 V CA 2.048 64.366 62.300 0.031 0.000 1.049 936 V CB -0.917 30.773 31.823 -0.222 0.000 0.662 936 V HN 0.518 nan 8.190 nan 0.000 0.455 937 F N 1.311 121.270 119.950 0.015 0.000 2.146 937 F HA -0.186 4.342 4.527 0.003 0.000 0.298 937 F C 2.398 178.346 175.800 0.247 0.000 1.096 937 F CA 2.125 60.215 58.000 0.150 0.000 1.275 937 F CB -0.367 38.770 39.000 0.228 0.000 1.008 937 F HN 0.109 nan 8.300 nan 0.000 0.480 938 T N 0.614 115.394 114.554 0.377 0.000 2.674 938 T HA -0.202 4.150 4.350 0.003 0.000 0.265 938 T C 1.870 176.702 174.700 0.219 0.000 1.039 938 T CA 1.853 64.132 62.100 0.298 0.000 1.150 938 T CB -0.903 68.142 68.868 0.296 0.000 0.864 938 T HN 0.275 nan 8.240 nan 0.000 0.427 939 F N 1.786 121.851 119.950 0.192 0.000 2.120 939 F HA -0.222 4.307 4.527 0.003 0.000 0.300 939 F C 2.819 178.728 175.800 0.181 0.000 1.095 939 F CA 1.211 59.305 58.000 0.158 0.000 1.249 939 F CB -0.176 38.929 39.000 0.175 0.000 0.995 939 F HN 0.274 nan 8.300 nan 0.000 0.480 940 S N -1.131 114.789 115.700 0.366 0.000 2.339 940 S HA -0.098 4.374 4.470 0.003 0.000 0.189 940 S C 1.973 176.683 174.600 0.183 0.000 0.966 940 S CA 0.661 59.037 58.200 0.294 0.000 0.925 940 S CB -0.867 62.498 63.200 0.274 0.000 0.890 940 S HN 0.321 nan 8.310 nan 0.000 0.539 941 C N 1.753 120.992 119.300 -0.101 0.000 2.453 941 C HA 0.067 4.529 4.460 0.003 0.000 0.277 941 C C 3.026 177.927 174.990 -0.148 0.000 1.262 941 C CA 1.074 59.937 59.018 -0.258 0.000 1.718 941 C CB -1.489 25.767 27.740 -0.808 0.000 2.031 941 C HN 0.776 nan 8.230 nan 0.000 0.480 942 Q N 0.790 120.449 119.800 -0.235 0.000 2.030 942 Q HA -0.218 4.124 4.340 0.003 0.000 0.204 942 Q C 2.234 178.377 176.000 0.238 0.000 0.986 942 Q CA 2.041 57.947 55.803 0.173 0.000 0.843 942 Q CB -0.840 28.107 28.738 0.350 0.000 0.904 942 Q HN 0.805 nan 8.270 nan 0.000 0.420 943 H N -0.608 118.562 119.070 0.167 0.000 2.352 943 H HA -0.139 4.419 4.556 0.003 0.000 0.299 943 H C 1.627 177.046 175.328 0.152 0.000 1.097 943 H CA 1.741 57.890 56.048 0.169 0.000 1.311 943 H CB -0.053 29.816 29.762 0.179 0.000 1.377 943 H HN 0.400 nan 8.280 nan 0.000 0.504 944 A N 1.306 124.294 122.820 0.281 0.000 1.883 944 A HA -0.136 4.185 4.320 0.003 0.000 0.217 944 A C 2.742 180.453 177.584 0.211 0.000 1.186 944 A CA 2.071 54.358 52.037 0.418 0.000 0.624 944 A CB -1.187 18.114 19.000 0.502 0.000 0.822 944 A HN 0.595 nan 8.150 nan 0.000 0.444 945 A N -0.444 122.504 122.820 0.213 0.000 1.972 945 A HA 0.037 4.359 4.320 0.003 0.000 0.219 945 A C 2.183 179.777 177.584 0.016 0.000 1.169 945 A CA 2.169 54.351 52.037 0.241 0.000 0.635 945 A CB -0.846 18.448 19.000 0.490 0.000 0.810 945 A HN 1.258 nan 8.150 nan 0.000 0.446 946 V N -3.131 116.750 119.914 -0.054 0.000 3.565 946 V HA 0.093 4.215 4.120 0.003 0.000 0.260 946 V C 1.507 177.413 176.094 -0.313 0.000 1.231 946 V CA 1.296 63.539 62.300 -0.096 0.000 1.100 946 V CB -0.495 31.357 31.823 0.047 0.000 0.807 946 V HN 0.599 nan 8.190 nan 0.000 0.454 947 N N 0.635 118.968 118.700 -0.612 0.000 2.319 947 N HA 0.066 4.808 4.740 0.003 0.000 0.189 947 N C 1.603 176.632 175.510 -0.801 0.000 1.042 947 N CA 1.142 53.596 53.050 -0.994 0.000 0.879 947 N CB -0.012 37.492 38.487 -1.638 0.000 1.052 947 N HN 0.495 nan 8.380 nan 0.000 0.446 948 F N 1.814 121.556 119.950 -0.347 0.000 2.699 948 F HA 0.039 4.568 4.527 0.003 0.000 0.298 948 F C 2.413 177.917 175.800 -0.493 0.000 1.154 948 F CA 0.431 58.256 58.000 -0.292 0.000 1.457 948 F CB -0.019 38.933 39.000 -0.079 0.000 1.106 948 F HN 0.136 nan 8.300 nan 0.000 0.585 949 S N -0.916 114.366 115.700 -0.696 0.000 2.561 949 S HA -0.113 4.358 4.470 0.003 0.000 0.225 949 S C 1.638 175.919 174.600 -0.532 0.000 0.977 949 S CA 0.251 57.728 58.200 -1.204 0.000 0.926 949 S CB -0.343 62.237 63.200 -1.033 0.000 0.769 949 S HN 0.479 nan 8.310 nan 0.000 0.533 950 Q N 1.098 120.700 119.800 -0.330 0.000 2.230 950 Q HA -0.012 4.330 4.340 0.003 0.000 0.202 950 Q C 2.233 178.233 176.000 -0.000 0.000 0.963 950 Q CA 0.859 56.587 55.803 -0.126 0.000 0.866 950 Q CB -0.110 28.641 28.738 0.022 0.000 0.931 950 Q HN 0.501 nan 8.270 nan 0.000 0.452 951 K N 1.319 121.708 120.400 -0.019 0.000 2.002 951 K HA -0.209 4.113 4.320 0.003 0.000 0.209 951 K C 1.160 177.766 176.600 0.010 0.000 1.048 951 K CA 1.702 58.004 56.287 0.024 0.000 0.930 951 K CB -0.105 32.425 32.500 0.051 0.000 0.714 951 K HN 0.144 nan 8.250 nan 0.000 0.438 952 D N -0.457 119.959 120.400 0.027 0.000 2.149 952 D HA -0.175 4.467 4.640 0.003 0.000 0.198 952 D C 2.007 178.316 176.300 0.014 0.000 0.990 952 D CA 1.314 55.341 54.000 0.045 0.000 0.839 952 D CB -0.212 40.687 40.800 0.166 0.000 0.948 952 D HN 0.514 nan 8.370 nan 0.000 0.460 953 H N -1.401 117.575 119.070 -0.158 0.000 2.355 953 H HA -0.006 4.552 4.556 0.003 0.000 0.303 953 H C 1.295 176.427 175.328 -0.326 0.000 1.061 953 H CA 1.307 57.166 56.048 -0.314 0.000 1.368 953 H CB 0.115 29.534 29.762 -0.572 0.000 1.412 953 H HN 0.126 nan 8.280 nan 0.000 0.523 954 Y N -1.209 119.115 120.300 0.041 0.000 2.458 954 Y HA 0.206 4.758 4.550 0.003 0.000 0.254 954 Y C 2.506 178.359 175.900 -0.079 0.000 1.120 954 Y CA -0.000 58.077 58.100 -0.038 0.000 1.282 954 Y CB 0.489 38.942 38.460 -0.011 0.000 1.109 954 Y HN 0.315 nan 8.280 nan 0.000 0.526 955 G N 0.989 109.832 108.800 0.072 0.000 2.476 955 G HA2 -0.324 3.637 3.960 0.003 0.000 0.218 955 G HA3 -0.324 3.637 3.960 0.003 0.000 0.218 955 G C 0.296 175.268 174.900 0.120 0.000 1.164 955 G CA 0.477 45.584 45.100 0.012 0.000 0.768 955 G HN 0.273 nan 8.290 nan 0.000 0.560 956 F N 2.386 122.264 119.950 -0.120 0.000 2.377 956 F HA 0.419 4.948 4.527 0.003 0.000 0.360 956 F C 1.611 177.274 175.800 -0.229 0.000 1.147 956 F CA -0.714 57.217 58.000 -0.117 0.000 1.170 956 F CB 0.484 39.365 39.000 -0.199 0.000 1.339 956 F HN -0.050 nan 8.300 nan 0.000 0.552 957 T N 5.829 120.015 114.554 -0.614 0.000 2.685 957 T HA -0.151 4.200 4.350 0.003 0.000 0.268 957 T C -0.827 173.309 174.700 -0.941 0.000 1.034 957 T CA 1.825 63.546 62.100 -0.632 0.000 1.149 957 T CB -0.845 67.726 68.868 -0.495 0.000 0.860 957 T HN 0.401 nan 8.240 nan 0.000 0.449 958 P HA -0.027 nan 4.420 nan 0.000 0.225 958 P C 1.286 178.236 177.300 -0.583 0.000 1.148 958 P CA 0.650 62.947 63.100 -1.337 0.000 0.779 958 P CB -0.202 30.292 31.700 -2.010 0.000 0.780 959 N N -0.154 118.285 118.700 -0.435 0.000 2.244 959 N HA -0.081 4.661 4.740 0.003 0.000 0.183 959 N C 0.103 175.559 175.510 -0.090 0.000 1.016 959 N CA 0.940 53.994 53.050 0.007 0.000 0.866 959 N CB 0.132 38.640 38.487 0.036 0.000 0.980 959 N HN -0.068 nan 8.380 nan 0.000 0.430 960 A N 1.175 123.894 122.820 -0.169 0.000 3.044 960 A HA 0.319 4.640 4.320 0.003 0.000 0.289 960 A C -2.774 174.841 177.584 0.052 0.000 1.236 960 A CA -0.917 51.072 52.037 -0.080 0.000 0.871 960 A CB 0.751 19.547 19.000 -0.341 0.000 1.424 960 A HN 0.066 nan 8.150 nan 0.000 0.564 961 P HA 0.425 nan 4.420 nan 0.000 0.271 961 P C 0.601 177.855 177.300 -0.077 0.000 1.218 961 P CA 0.344 63.342 63.100 -0.170 0.000 0.780 961 P CB 1.757 33.262 31.700 -0.325 0.000 0.901 962 A N 2.714 125.458 122.820 -0.126 0.000 2.390 962 A HA 0.348 4.670 4.320 0.003 0.000 0.225 962 A C 0.676 178.184 177.584 -0.127 0.000 1.232 962 A CA 0.178 52.151 52.037 -0.106 0.000 0.964 962 A CB 0.067 18.962 19.000 -0.175 0.000 1.064 962 A HN 0.473 nan 8.150 nan 0.000 0.525 963 I N 0.657 121.129 120.570 -0.164 0.000 2.608 963 I HA 0.467 4.639 4.170 0.003 0.000 0.295 963 I C -1.143 174.845 176.117 -0.215 0.000 1.049 963 I CA -0.714 60.489 61.300 -0.161 0.000 1.063 963 I CB 2.211 40.111 38.000 -0.166 0.000 1.248 963 I HN 0.018 nan 8.210 nan 0.000 0.424 964 L N 5.025 126.123 121.223 -0.207 0.000 2.370 964 L HA 0.546 4.888 4.340 0.003 0.000 0.266 964 L C 0.567 177.369 176.870 -0.113 0.000 1.002 964 L CA -0.689 53.975 54.840 -0.293 0.000 0.818 964 L CB 2.437 44.107 42.059 -0.648 0.000 1.325 964 L HN 0.595 nan 8.230 nan 0.000 0.418 965 R N -0.407 119.989 120.500 -0.174 0.000 2.334 965 R HA 0.220 4.562 4.340 0.003 0.000 0.212 965 R C -0.444 175.585 176.300 -0.451 0.000 0.897 965 R CA 0.007 55.976 56.100 -0.218 0.000 1.056 965 R CB 0.477 30.583 30.300 -0.323 0.000 1.046 965 R HN 0.581 nan 8.270 nan 0.000 0.513 966 H N -0.458 118.545 119.070 -0.112 0.000 2.894 966 H HA 0.318 4.876 4.556 0.003 0.000 0.368 966 H C -2.408 172.545 175.328 -0.625 0.000 1.181 966 H CA -2.197 53.639 56.048 -0.354 0.000 1.146 966 H CB 2.213 31.903 29.762 -0.120 0.000 1.839 966 H HN -0.147 nan 8.280 nan 0.000 0.557 967 P HA 0.113 nan 4.420 nan 0.000 0.277 967 P C -2.567 174.710 177.300 -0.039 0.000 1.271 967 P CA -1.480 61.298 63.100 -0.538 0.000 0.795 967 P CB 0.232 31.686 31.700 -0.409 0.000 1.101 968 P HA 0.219 nan 4.420 nan 0.000 0.273 968 P C -2.305 174.911 177.300 -0.140 0.000 1.250 968 P CA -1.177 61.590 63.100 -0.555 0.000 0.793 968 P CB -1.266 29.850 31.700 -0.972 0.000 1.011 969 P HA 0.200 nan 4.420 nan 0.000 0.281 969 P C 0.217 177.588 177.300 0.118 0.000 1.249 969 P CA -0.348 62.801 63.100 0.082 0.000 0.810 969 P CB 0.852 32.651 31.700 0.164 0.000 1.008 970 K N 0.177 120.639 120.400 0.102 0.000 2.374 970 K HA 0.114 4.436 4.320 0.003 0.000 0.196 970 K C 0.762 177.416 176.600 0.090 0.000 1.023 970 K CA 0.374 56.711 56.287 0.084 0.000 1.103 970 K CB -0.289 32.245 32.500 0.056 0.000 0.848 970 K HN 0.699 nan 8.250 nan 0.000 0.528 971 K N -0.998 119.482 120.400 0.134 0.000 2.556 971 K HA 0.430 4.752 4.320 0.003 0.000 0.274 971 K C -0.995 175.728 176.600 0.204 0.000 0.966 971 K CA -1.068 55.284 56.287 0.109 0.000 0.865 971 K CB 1.467 34.013 32.500 0.076 0.000 1.444 971 K HN -0.234 nan 8.250 nan 0.000 0.433 972 K N -0.116 120.361 120.400 0.127 0.000 2.118 972 K HA 0.240 4.562 4.320 0.003 0.000 0.240 972 K C 0.750 177.490 176.600 0.232 0.000 1.035 972 K CA 0.572 57.004 56.287 0.240 0.000 0.899 972 K CB 0.425 32.957 32.500 0.053 0.000 1.085 972 K HN 0.988 nan 8.250 nan 0.000 0.498 973 G N -0.593 108.373 108.800 0.275 0.000 2.189 973 G HA2 -0.374 3.588 3.960 0.003 0.000 0.267 973 G HA3 -0.374 3.588 3.960 0.003 0.000 0.267 973 G C 0.651 175.652 174.900 0.168 0.000 0.975 973 G CA 1.019 46.235 45.100 0.193 0.000 0.644 973 G HN 0.721 nan 8.290 nan 0.000 0.537 974 E N -0.839 119.467 120.200 0.178 0.000 2.481 974 E HA 0.734 5.086 4.350 0.003 0.000 0.198 974 E C 1.125 177.801 176.600 0.126 0.000 1.027 974 E CA 1.246 57.725 56.400 0.132 0.000 0.900 974 E CB 0.197 29.964 29.700 0.112 0.000 0.993 974 E HN 2.010 nan 8.360 nan 0.000 0.482 975 A N 1.558 124.472 122.820 0.157 0.000 2.354 975 A HA 0.555 4.877 4.320 0.003 0.000 0.281 975 A C 0.807 178.487 177.584 0.161 0.000 1.174 975 A CA 0.356 52.485 52.037 0.153 0.000 0.828 975 A CB -0.103 19.002 19.000 0.175 0.000 1.099 975 A HN 0.472 nan 8.150 nan 0.000 0.516 976 T N 0.468 115.054 114.554 0.053 0.000 2.950 976 T HA 0.436 4.788 4.350 0.003 0.000 0.288 976 T C 0.976 175.523 174.700 -0.255 0.000 1.035 976 T CA -0.552 61.502 62.100 -0.077 0.000 1.028 976 T CB 0.938 69.790 68.868 -0.027 0.000 1.109 976 T HN 0.549 nan 8.240 nan 0.000 0.514 977 L N 1.111 122.019 121.223 -0.524 0.000 2.043 977 L HA -0.118 4.224 4.340 0.003 0.000 0.212 977 L C 2.998 179.762 176.870 -0.176 0.000 1.075 977 L CA 2.537 57.151 54.840 -0.377 0.000 0.752 977 L CB -1.183 40.661 42.059 -0.359 0.000 0.891 977 L HN 0.884 nan 8.230 nan 0.000 0.432 978 Q N -0.766 118.964 119.800 -0.118 0.000 2.045 978 Q HA -0.233 4.108 4.340 0.003 0.000 0.206 978 Q C 2.678 178.665 176.000 -0.021 0.000 0.991 978 Q CA 2.414 58.186 55.803 -0.052 0.000 0.851 978 Q CB -0.908 27.811 28.738 -0.031 0.000 0.911 978 Q HN 0.947 nan 8.270 nan 0.000 0.418 979 S N -0.340 115.350 115.700 -0.017 0.000 2.368 979 S HA -0.101 4.371 4.470 0.003 0.000 0.224 979 S C 1.991 176.623 174.600 0.053 0.000 1.029 979 S CA 1.461 59.669 58.200 0.012 0.000 0.988 979 S CB -0.681 62.526 63.200 0.012 0.000 0.838 979 S HN 0.639 nan 8.310 nan 0.000 0.462 980 I N 1.393 121.997 120.570 0.058 0.000 2.151 980 I HA -0.208 3.964 4.170 0.003 0.000 0.243 980 I C 2.449 178.596 176.117 0.051 0.000 1.080 980 I CA 1.502 62.867 61.300 0.108 0.000 1.339 980 I CB -0.382 37.755 38.000 0.228 0.000 1.039 980 I HN 0.288 nan 8.210 nan 0.000 0.409 981 L N 0.084 121.327 121.223 0.033 0.000 2.217 981 L HA -0.150 4.191 4.340 0.003 0.000 0.211 981 L C 2.556 179.466 176.870 0.066 0.000 1.107 981 L CA 1.403 56.274 54.840 0.051 0.000 0.783 981 L CB -0.393 41.689 42.059 0.039 0.000 0.919 981 L HN 0.344 nan 8.230 nan 0.000 0.442 982 S N -2.942 112.804 115.700 0.076 0.000 2.527 982 S HA -0.035 4.436 4.470 0.003 0.000 0.222 982 S C 1.678 176.347 174.600 0.115 0.000 0.985 982 S CA 0.798 59.067 58.200 0.116 0.000 0.921 982 S CB -0.126 63.180 63.200 0.176 0.000 0.772 982 S HN 0.295 nan 8.310 nan 0.000 0.529 983 T N 2.019 116.626 114.554 0.087 0.000 3.033 983 T HA 0.363 4.715 4.350 0.003 0.000 0.248 983 T C 0.685 175.282 174.700 -0.172 0.000 1.040 983 T CA -0.060 62.037 62.100 -0.004 0.000 1.133 983 T CB -0.230 68.664 68.868 0.044 0.000 0.895 983 T HN 0.258 nan 8.240 nan 0.000 0.465 984 L N 2.177 123.287 121.223 -0.188 0.000 2.479 984 L HA 0.188 4.530 4.340 0.003 0.000 0.270 984 L C -2.181 174.599 176.870 -0.150 0.000 1.236 984 L CA -1.933 52.735 54.840 -0.287 0.000 0.823 984 L CB -0.133 41.707 42.059 -0.365 0.000 1.098 984 L HN -0.013 nan 8.230 nan 0.000 0.500 985 P HA 0.001 nan 4.420 nan 0.000 0.267 985 P C -0.625 176.675 177.300 0.001 0.000 1.200 985 P CA -0.278 62.763 63.100 -0.097 0.000 0.772 985 P CB 0.515 32.151 31.700 -0.106 0.000 0.855 986 S N 2.100 117.750 115.700 -0.084 0.000 2.598 986 S HA 0.028 4.500 4.470 0.003 0.000 0.256 986 S C 1.419 175.894 174.600 -0.209 0.000 1.350 986 S CA -0.139 57.974 58.200 -0.145 0.000 0.984 986 S CB 0.333 63.422 63.200 -0.187 0.000 0.930 986 S HN 0.552 nan 8.310 nan 0.000 0.577 987 K N 0.654 120.766 120.400 -0.481 0.000 2.032 987 K HA -0.175 4.147 4.320 0.003 0.000 0.209 987 K C 2.254 178.639 176.600 -0.357 0.000 1.048 987 K CA 1.963 57.811 56.287 -0.732 0.000 0.927 987 K CB -0.770 30.946 32.500 -1.307 0.000 0.712 987 K HN 0.778 nan 8.250 nan 0.000 0.441 988 S N 0.493 116.017 115.700 -0.293 0.000 2.355 988 S HA -0.196 4.275 4.470 0.003 0.000 0.222 988 S C 2.067 176.579 174.600 -0.146 0.000 1.031 988 S CA 1.099 59.184 58.200 -0.192 0.000 0.993 988 S CB -0.495 62.597 63.200 -0.180 0.000 0.859 988 S HN 0.462 nan 8.310 nan 0.000 0.453 989 Q N 1.419 121.125 119.800 -0.156 0.000 2.112 989 Q HA -0.091 4.251 4.340 0.003 0.000 0.206 989 Q C 2.578 178.509 176.000 -0.115 0.000 0.987 989 Q CA 1.678 57.395 55.803 -0.144 0.000 0.858 989 Q CB -0.607 28.038 28.738 -0.155 0.000 0.905 989 Q HN 0.802 nan 8.270 nan 0.000 0.420 990 A N 0.910 123.690 122.820 -0.067 0.000 1.897 990 A HA -0.029 4.293 4.320 0.003 0.000 0.215 990 A C 2.322 179.879 177.584 -0.045 0.000 1.181 990 A CA 1.308 53.337 52.037 -0.013 0.000 0.620 990 A CB -0.790 18.320 19.000 0.183 0.000 0.821 990 A HN 0.389 nan 8.150 nan 0.000 0.443 991 A N 0.255 123.052 122.820 -0.037 0.000 1.892 991 A HA -0.238 4.084 4.320 0.003 0.000 0.218 991 A C 2.099 179.639 177.584 -0.074 0.000 1.188 991 A CA 2.121 54.144 52.037 -0.023 0.000 0.631 991 A CB -0.535 18.480 19.000 0.024 0.000 0.822 991 A HN 0.547 nan 8.150 nan 0.000 0.447 992 K N -0.309 120.045 120.400 -0.075 0.000 2.057 992 K HA -0.038 4.283 4.320 0.003 0.000 0.207 992 K C 2.269 178.788 176.600 -0.135 0.000 1.049 992 K CA 1.142 57.379 56.287 -0.084 0.000 0.931 992 K CB -0.378 32.067 32.500 -0.092 0.000 0.714 992 K HN 0.455 nan 8.250 nan 0.000 0.440 993 A N 1.252 123.973 122.820 -0.164 0.000 1.940 993 A HA -0.179 4.142 4.320 0.003 0.000 0.219 993 A C 2.115 179.561 177.584 -0.231 0.000 1.176 993 A CA 1.482 53.392 52.037 -0.212 0.000 0.631 993 A CB -0.607 18.255 19.000 -0.230 0.000 0.814 993 A HN 0.216 nan 8.150 nan 0.000 0.446 994 I N -0.720 119.685 120.570 -0.275 0.000 2.500 994 I HA -0.161 4.010 4.170 0.003 0.000 0.252 994 I C 2.894 178.641 176.117 -0.616 0.000 1.142 994 I CA 0.689 61.738 61.300 -0.418 0.000 1.451 994 I CB -0.262 37.419 38.000 -0.533 0.000 1.093 994 I HN 0.351 nan 8.210 nan 0.000 0.430 995 A N 0.699 123.177 122.820 -0.570 0.000 1.865 995 A HA -0.225 4.097 4.320 0.003 0.000 0.217 995 A C 2.392 179.949 177.584 -0.045 0.000 1.191 995 A CA 2.581 54.425 52.037 -0.321 0.000 0.623 995 A CB -1.198 17.833 19.000 0.053 0.000 0.826 995 A HN 0.342 nan 8.150 nan 0.000 0.444 996 T N -0.176 114.334 114.554 -0.074 0.000 2.665 996 T HA -0.169 4.182 4.350 0.003 0.000 0.268 996 T C 1.856 176.535 174.700 -0.035 0.000 1.035 996 T CA 1.782 63.855 62.100 -0.044 0.000 1.151 996 T CB -0.558 68.255 68.868 -0.091 0.000 0.862 996 T HN 0.153 nan 8.240 nan 0.000 0.438 997 V N 0.475 120.344 119.914 -0.075 0.000 2.407 997 V HA -0.178 3.944 4.120 0.003 0.000 0.248 997 V C 1.999 178.098 176.094 0.008 0.000 1.055 997 V CA 1.702 63.980 62.300 -0.036 0.000 1.049 997 V CB -0.738 31.071 31.823 -0.022 0.000 0.662 997 V HN 0.542 nan 8.190 nan 0.000 0.455 998 Y N 0.682 120.925 120.300 -0.095 0.000 2.145 998 Y HA -0.213 4.339 4.550 0.003 0.000 0.286 998 Y C 2.215 178.158 175.900 0.071 0.000 1.145 998 Y CA 1.707 59.820 58.100 0.022 0.000 1.148 998 Y CB -0.276 38.263 38.460 0.131 0.000 0.981 998 Y HN 0.202 nan 8.280 nan 0.000 0.507 999 I N -0.029 120.499 120.570 -0.070 0.000 2.179 999 I HA -0.322 3.850 4.170 0.003 0.000 0.242 999 I C 2.119 178.208 176.117 -0.048 0.000 1.088 999 I CA 1.468 62.701 61.300 -0.111 0.000 1.357 999 I CB -0.451 37.567 38.000 0.030 0.000 1.051 999 I HN 0.229 nan 8.210 nan 0.000 0.409 1000 L N 0.129 121.344 121.223 -0.014 0.000 2.465 1000 L HA -0.068 4.274 4.340 0.003 0.000 0.224 1000 L C 1.958 178.761 176.870 -0.111 0.000 1.145 1000 L CA 1.196 56.037 54.840 0.001 0.000 0.834 1000 L CB -0.785 41.289 42.059 0.025 0.000 0.944 1000 L HN 0.409 nan 8.230 nan 0.000 0.451 1001 T N -4.389 110.084 114.554 -0.134 0.000 3.129 1001 T HA 0.113 4.464 4.350 0.003 0.000 0.267 1001 T C 0.465 175.094 174.700 -0.118 0.000 1.018 1001 T CA -0.497 61.522 62.100 -0.134 0.000 0.903 1001 T CB 0.106 68.924 68.868 -0.084 0.000 1.067 1001 T HN -0.131 nan 8.240 nan 0.000 0.549 1002 K N 1.991 122.303 120.400 -0.147 0.000 2.349 1002 K HA 0.375 4.696 4.320 0.003 0.000 0.289 1002 K C -0.900 175.679 176.600 -0.034 0.000 1.064 1002 K CA -1.054 55.143 56.287 -0.149 0.000 0.947 1002 K CB -0.654 31.701 32.500 -0.241 0.000 1.007 1002 K HN 0.299 nan 8.250 nan 0.000 0.478 1003 F N 2.646 122.682 119.950 0.143 0.000 2.484 1003 F HA 0.073 4.602 4.527 0.003 0.000 0.360 1003 F C 1.319 177.156 175.800 0.062 0.000 1.101 1003 F CA -0.061 58.000 58.000 0.101 0.000 1.251 1003 F CB 1.034 40.085 39.000 0.085 0.000 1.132 1003 F HN 0.482 nan 8.300 nan 0.000 0.570 1004 S N 2.031 117.875 115.700 0.241 0.000 2.584 1004 S HA 0.101 4.573 4.470 0.003 0.000 0.273 1004 S C 1.071 175.734 174.600 0.105 0.000 1.311 1004 S CA -0.738 57.528 58.200 0.110 0.000 1.034 1004 S CB 0.998 64.212 63.200 0.023 0.000 0.939 1004 S HN 0.643 nan 8.310 nan 0.000 0.513 1005 E N 1.618 121.863 120.200 0.075 0.000 2.160 1005 E HA -0.122 4.229 4.350 0.003 0.000 0.195 1005 E C 1.134 177.756 176.600 0.037 0.000 0.991 1005 E CA 1.550 57.988 56.400 0.063 0.000 0.810 1005 E CB -0.071 29.658 29.700 0.048 0.000 0.742 1005 E HN 0.793 nan 8.360 nan 0.000 0.466 1006 D N -0.087 120.321 120.400 0.014 0.000 2.325 1006 D HA -0.027 4.615 4.640 0.003 0.000 0.225 1006 D C -0.120 176.149 176.300 -0.052 0.000 1.096 1006 D CA -0.091 53.900 54.000 -0.015 0.000 0.844 1006 D CB -0.313 40.472 40.800 -0.024 0.000 0.925 1006 D HN 0.088 nan 8.370 nan 0.000 0.513 1007 E N 0.678 120.832 120.200 -0.077 0.000 2.415 1007 E HA 0.165 4.516 4.350 0.003 0.000 0.262 1007 E C -0.025 176.349 176.600 -0.376 0.000 1.038 1007 E CA 0.123 56.378 56.400 -0.240 0.000 0.921 1007 E CB 0.864 30.339 29.700 -0.375 0.000 0.950 1007 E HN 0.079 nan 8.360 nan 0.000 0.438 1008 R N 2.335 122.594 120.500 -0.402 0.000 2.494 1008 R HA 0.306 4.648 4.340 0.003 0.000 0.305 1008 R C -1.122 174.921 176.300 -0.428 0.000 0.959 1008 R CA -0.608 55.317 56.100 -0.292 0.000 0.864 1008 R CB 1.021 31.244 30.300 -0.129 0.000 1.159 1008 R HN 0.457 nan 8.270 nan 0.000 0.446 1009 Y N 0.972 121.225 120.300 -0.078 0.000 2.519 1009 Y HA 0.228 4.780 4.550 0.003 0.000 0.324 1009 Y C 0.422 176.267 175.900 -0.092 0.000 1.214 1009 Y CA -1.101 56.946 58.100 -0.088 0.000 1.260 1009 Y CB 0.564 38.928 38.460 -0.160 0.000 1.311 1009 Y HN 0.345 nan 8.280 nan 0.000 0.505 1010 L N 2.419 123.707 121.223 0.108 0.000 2.776 1010 L HA 0.093 4.435 4.340 0.003 0.000 0.283 1010 L C 1.091 177.835 176.870 -0.211 0.000 1.194 1010 L CA 1.755 56.613 54.840 0.030 0.000 0.947 1010 L CB -0.790 41.303 42.059 0.056 0.000 1.255 1010 L HN 0.898 nan 8.230 nan 0.000 0.481 1011 G N 2.869 111.444 108.800 -0.375 0.000 2.199 1011 G HA2 -0.336 3.625 3.960 0.003 0.000 0.254 1011 G HA3 -0.336 3.625 3.960 0.003 0.000 0.254 1011 G C 0.518 174.885 174.900 -0.888 0.000 0.982 1011 G CA 0.257 44.802 45.100 -0.925 0.000 0.632 1011 G HN 0.925 nan 8.290 nan 0.000 0.529 1012 N N 0.501 118.946 118.700 -0.425 0.000 2.400 1012 N HA 0.279 5.021 4.740 0.003 0.000 0.267 1012 N C -0.115 175.363 175.510 -0.053 0.000 1.208 1012 N CA -0.104 52.825 53.050 -0.202 0.000 0.951 1012 N CB -0.154 38.287 38.487 -0.077 0.000 1.227 1012 N HN 0.225 nan 8.380 nan 0.000 0.488 1013 Y N 0.924 121.203 120.300 -0.036 0.000 2.720 1013 Y HA 0.129 4.681 4.550 0.003 0.000 0.268 1013 Y C 1.920 177.796 175.900 -0.040 0.000 1.142 1013 Y CA -0.755 57.332 58.100 -0.021 0.000 1.193 1013 Y CB -0.601 37.895 38.460 0.060 0.000 1.176 1013 Y HN 0.557 nan 8.280 nan 0.000 0.542 1014 S N -0.611 115.144 115.700 0.093 0.000 2.442 1014 S HA -0.072 4.400 4.470 0.003 0.000 0.236 1014 S C 1.546 176.152 174.600 0.010 0.000 1.007 1014 S CA 0.904 59.136 58.200 0.053 0.000 0.965 1014 S CB -0.065 63.163 63.200 0.046 0.000 0.773 1014 S HN 0.295 nan 8.310 nan 0.000 0.504 1015 A N 1.700 124.486 122.820 -0.057 0.000 2.827 1015 A HA 0.527 4.849 4.320 0.003 0.000 0.300 1015 A C 0.645 177.880 177.584 -0.583 0.000 1.237 1015 A CA -0.246 51.705 52.037 -0.144 0.000 0.964 1015 A CB -0.365 18.653 19.000 0.030 0.000 1.143 1015 A HN 0.542 nan 8.150 nan 0.000 0.554 1016 T N -4.124 110.018 114.554 -0.686 0.000 2.952 1016 T HA 0.649 5.001 4.350 0.003 0.000 0.286 1016 T C 0.545 174.640 174.700 -1.009 0.000 1.024 1016 T CA -0.036 61.646 62.100 -0.697 0.000 1.029 1016 T CB 1.905 70.597 68.868 -0.294 0.000 1.094 1016 T HN 0.578 nan 8.240 nan 0.000 0.515 1017 A N 0.064 122.450 122.820 -0.724 0.000 2.507 1017 A HA 0.355 4.677 4.320 0.003 0.000 0.270 1017 A C -0.075 177.392 177.584 -0.195 0.000 1.318 1017 A CA -1.046 50.772 52.037 -0.365 0.000 0.924 1017 A CB -0.725 18.207 19.000 -0.113 0.000 1.061 1017 A HN 0.809 nan 8.150 nan 0.000 0.516 1018 W N 0.460 121.697 121.300 -0.104 0.000 2.216 1018 W HA 0.283 4.944 4.660 0.003 0.000 0.326 1018 W C 0.926 177.461 176.519 0.027 0.000 1.319 1018 W CA -0.394 56.938 57.345 -0.023 0.000 1.213 1018 W CB 0.741 30.194 29.460 -0.011 0.000 1.171 1018 W HN 0.314 nan 8.180 nan 0.000 0.557 1019 E N 0.840 121.248 120.200 0.347 0.000 2.441 1019 E HA -0.074 4.277 4.350 0.003 0.000 0.212 1019 E C 0.018 176.734 176.600 0.194 0.000 0.840 1019 E CA 0.095 56.623 56.400 0.214 0.000 1.143 1019 E CB -0.012 29.770 29.700 0.137 0.000 1.153 1019 E HN 0.488 nan 8.360 nan 0.000 0.539 1020 D N 2.080 122.642 120.400 0.270 0.000 2.417 1020 D HA -0.037 4.604 4.640 0.003 0.000 0.250 1020 D C 0.929 177.276 176.300 0.078 0.000 1.166 1020 D CA 0.203 54.309 54.000 0.175 0.000 0.881 1020 D CB 1.244 42.206 40.800 0.270 0.000 1.164 1020 D HN -0.270 nan 8.370 nan 0.000 0.467 1021 K N 3.107 123.523 120.400 0.026 0.000 2.103 1021 K HA -0.131 4.191 4.320 0.003 0.000 0.207 1021 K C 1.400 177.980 176.600 -0.034 0.000 1.048 1021 K CA 1.568 57.854 56.287 -0.001 0.000 0.930 1021 K CB -0.282 32.211 32.500 -0.011 0.000 0.716 1021 K HN 0.606 nan 8.250 nan 0.000 0.444 1022 D N 0.131 120.489 120.400 -0.071 0.000 2.144 1022 D HA -0.060 4.581 4.640 0.003 0.000 0.199 1022 D C 2.006 178.233 176.300 -0.123 0.000 0.984 1022 D CA 1.475 55.410 54.000 -0.107 0.000 0.834 1022 D CB -0.312 40.389 40.800 -0.165 0.000 0.955 1022 D HN 0.378 nan 8.370 nan 0.000 0.465 1023 A N 1.075 123.805 122.820 -0.151 0.000 1.930 1023 A HA -0.104 4.217 4.320 0.003 0.000 0.217 1023 A C 2.434 179.879 177.584 -0.233 0.000 1.175 1023 A CA 0.754 52.617 52.037 -0.290 0.000 0.627 1023 A CB -0.718 18.012 19.000 -0.451 0.000 0.815 1023 A HN 0.161 nan 8.150 nan 0.000 0.443 1024 L N -0.361 120.797 121.223 -0.109 0.000 2.017 1024 L HA -0.210 4.132 4.340 0.003 0.000 0.208 1024 L C 2.124 178.980 176.870 -0.024 0.000 1.073 1024 L CA 1.529 56.343 54.840 -0.042 0.000 0.745 1024 L CB -0.826 41.242 42.059 0.015 0.000 0.894 1024 L HN 0.324 nan 8.230 nan 0.000 0.432 1025 D N 0.440 120.824 120.400 -0.026 0.000 2.123 1025 D HA -0.190 4.452 4.640 0.003 0.000 0.196 1025 D C 2.227 178.536 176.300 0.015 0.000 0.992 1025 D CA 1.620 55.614 54.000 -0.010 0.000 0.833 1025 D CB -0.066 40.722 40.800 -0.020 0.000 0.954 1025 D HN 0.347 nan 8.370 nan 0.000 0.455 1026 A N 0.796 123.629 122.820 0.022 0.000 1.933 1026 A HA -0.134 4.187 4.320 0.003 0.000 0.218 1026 A C 2.393 180.099 177.584 0.203 0.000 1.175 1026 A CA 0.851 52.962 52.037 0.122 0.000 0.628 1026 A CB -0.612 18.450 19.000 0.103 0.000 0.814 1026 A HN 0.191 nan 8.150 nan 0.000 0.444 1027 I N -0.155 120.483 120.570 0.113 0.000 2.202 1027 I HA -0.230 3.941 4.170 0.003 0.000 0.242 1027 I C 2.083 178.192 176.117 -0.014 0.000 1.091 1027 I CA 1.049 62.357 61.300 0.014 0.000 1.368 1027 I CB -0.575 37.457 38.000 0.053 0.000 1.058 1027 I HN 0.298 nan 8.210 nan 0.000 0.410 1028 N N 1.407 120.106 118.700 -0.002 0.000 2.061 1028 N HA -0.207 4.535 4.740 0.003 0.000 0.193 1028 N C 1.887 177.386 175.510 -0.017 0.000 1.030 1028 N CA 1.521 54.558 53.050 -0.021 0.000 0.856 1028 N CB -0.449 38.031 38.487 -0.010 0.000 1.023 1028 N HN 0.372 nan 8.380 nan 0.000 0.424 1029 R N -0.611 119.907 120.500 0.030 0.000 2.115 1029 R HA -0.055 4.287 4.340 0.003 0.000 0.230 1029 R C 1.995 178.340 176.300 0.076 0.000 1.111 1029 R CA 0.730 56.859 56.100 0.049 0.000 0.976 1029 R CB -0.398 29.948 30.300 0.077 0.000 0.870 1029 R HN 0.212 nan 8.270 nan 0.000 0.445 1030 F N 2.249 122.131 119.950 -0.114 0.000 2.113 1030 F HA -0.135 4.394 4.527 0.003 0.000 0.297 1030 F C 2.112 177.790 175.800 -0.204 0.000 1.103 1030 F CA 1.429 59.315 58.000 -0.190 0.000 1.248 1030 F CB -0.372 38.329 39.000 -0.498 0.000 0.999 1030 F HN -0.097 nan 8.300 nan 0.000 0.475 1031 Q N 0.079 119.644 119.800 -0.393 0.000 2.061 1031 Q HA -0.238 4.104 4.340 0.003 0.000 0.204 1031 Q C 1.874 177.711 176.000 -0.270 0.000 0.984 1031 Q CA 1.979 57.528 55.803 -0.424 0.000 0.846 1031 Q CB -0.386 28.176 28.738 -0.293 0.000 0.902 1031 Q HN 0.380 nan 8.270 nan 0.000 0.421 1032 D N 0.318 120.623 120.400 -0.158 0.000 2.123 1032 D HA -0.161 4.481 4.640 0.003 0.000 0.196 1032 D C 1.718 177.963 176.300 -0.092 0.000 0.992 1032 D CA 1.189 55.129 54.000 -0.100 0.000 0.833 1032 D CB -0.108 40.660 40.800 -0.053 0.000 0.954 1032 D HN 0.031 nan 8.370 nan 0.000 0.455 1033 K N 0.645 120.997 120.400 -0.081 0.000 2.057 1033 K HA -0.037 4.285 4.320 0.003 0.000 0.207 1033 K C 2.114 178.661 176.600 -0.089 0.000 1.049 1033 K CA 0.748 57.009 56.287 -0.043 0.000 0.931 1033 K CB -0.407 32.120 32.500 0.046 0.000 0.714 1033 K HN 0.102 nan 8.250 nan 0.000 0.440 1034 L N 0.465 121.562 121.223 -0.210 0.000 2.079 1034 L HA -0.173 4.168 4.340 0.003 0.000 0.210 1034 L C 2.575 179.353 176.870 -0.154 0.000 1.081 1034 L CA 1.667 56.373 54.840 -0.225 0.000 0.752 1034 L CB -0.469 41.342 42.059 -0.414 0.000 0.896 1034 L HN 0.388 nan 8.230 nan 0.000 0.433 1035 E N 0.177 120.285 120.200 -0.154 0.000 2.077 1035 E HA -0.236 4.116 4.350 0.003 0.000 0.193 1035 E C 1.716 178.271 176.600 -0.074 0.000 0.989 1035 E CA 1.378 57.710 56.400 -0.113 0.000 0.800 1035 E CB 0.132 29.767 29.700 -0.109 0.000 0.746 1035 E HN 0.450 nan 8.360 nan 0.000 0.452 1036 D N 0.368 120.733 120.400 -0.058 0.000 2.117 1036 D HA -0.163 4.478 4.640 0.003 0.000 0.197 1036 D C 2.057 178.343 176.300 -0.023 0.000 0.987 1036 D CA 0.931 54.911 54.000 -0.033 0.000 0.829 1036 D CB -0.183 40.606 40.800 -0.018 0.000 0.961 1036 D HN 0.298 nan 8.370 nan 0.000 0.460 1037 I N 1.081 121.637 120.570 -0.023 0.000 2.286 1037 I HA -0.241 3.931 4.170 0.003 0.000 0.248 1037 I C 2.391 178.500 176.117 -0.013 0.000 1.115 1037 I CA 0.681 61.980 61.300 -0.003 0.000 1.392 1037 I CB -0.035 37.972 38.000 0.013 0.000 1.065 1037 I HN -0.109 nan 8.210 nan 0.000 0.418 1038 S N 0.665 116.341 115.700 -0.040 0.000 2.353 1038 S HA -0.218 4.254 4.470 0.003 0.000 0.222 1038 S C 1.932 176.507 174.600 -0.042 0.000 1.035 1038 S CA 1.319 59.488 58.200 -0.051 0.000 1.025 1038 S CB -0.269 62.883 63.200 -0.080 0.000 0.902 1038 S HN 0.355 nan 8.310 nan 0.000 0.440 1039 K N 1.136 121.511 120.400 -0.041 0.000 2.034 1039 K HA -0.175 4.147 4.320 0.003 0.000 0.214 1039 K C 2.201 178.788 176.600 -0.021 0.000 1.051 1039 K CA 1.598 57.865 56.287 -0.033 0.000 0.931 1039 K CB -0.206 32.276 32.500 -0.030 0.000 0.715 1039 K HN 0.250 nan 8.250 nan 0.000 0.446 1040 K N 0.466 120.860 120.400 -0.010 0.000 2.147 1040 K HA -0.075 4.247 4.320 0.003 0.000 0.205 1040 K C 2.058 178.659 176.600 0.003 0.000 1.049 1040 K CA 1.093 57.380 56.287 0.001 0.000 0.936 1040 K CB -0.046 32.462 32.500 0.014 0.000 0.722 1040 K HN 0.130 nan 8.250 nan 0.000 0.446 1041 I N 0.898 121.468 120.570 0.001 0.000 2.353 1041 I HA -0.249 3.923 4.170 0.003 0.000 0.248 1041 I C 2.049 178.152 176.117 -0.024 0.000 1.119 1041 I CA 1.205 62.508 61.300 0.004 0.000 1.417 1041 I CB -0.035 37.975 38.000 0.016 0.000 1.078 1041 I HN 0.083 nan 8.210 nan 0.000 0.421 1042 K N 0.334 120.715 120.400 -0.032 0.000 2.025 1042 K HA -0.192 4.129 4.320 0.003 0.000 0.207 1042 K C 2.182 178.760 176.600 -0.037 0.000 1.049 1042 K CA 1.284 57.545 56.287 -0.043 0.000 0.933 1042 K CB -0.131 32.341 32.500 -0.047 0.000 0.714 1042 K HN 0.244 nan 8.250 nan 0.000 0.438 1043 Q N 0.334 120.118 119.800 -0.027 0.000 2.077 1043 Q HA -0.185 4.156 4.340 0.003 0.000 0.206 1043 Q C 2.228 178.215 176.000 -0.021 0.000 0.989 1043 Q CA 1.476 57.267 55.803 -0.019 0.000 0.853 1043 Q CB -0.017 28.715 28.738 -0.010 0.000 0.907 1043 Q HN 0.120 nan 8.270 nan 0.000 0.418 1044 R N 0.537 121.023 120.500 -0.024 0.000 2.081 1044 R HA -0.129 4.212 4.340 0.003 0.000 0.235 1044 R C 1.441 177.694 176.300 -0.079 0.000 1.131 1044 R CA 1.382 57.458 56.100 -0.039 0.000 0.960 1044 R CB -0.321 29.959 30.300 -0.034 0.000 0.856 1044 R HN 0.317 nan 8.270 nan 0.000 0.436 1045 N N 1.389 120.040 118.700 -0.081 0.000 2.244 1045 N HA -0.170 4.572 4.740 0.003 0.000 0.183 1045 N C 1.469 176.941 175.510 -0.063 0.000 1.016 1045 N CA 1.558 54.552 53.050 -0.093 0.000 0.866 1045 N CB -0.147 38.291 38.487 -0.081 0.000 0.980 1045 N HN 0.558 nan 8.380 nan 0.000 0.430 1046 E N -0.373 119.800 120.200 -0.044 0.000 2.274 1046 E HA -0.012 4.340 4.350 0.003 0.000 0.194 1046 E C 0.377 176.966 176.600 -0.018 0.000 0.996 1046 E CA 0.677 57.059 56.400 -0.030 0.000 0.840 1046 E CB -0.154 29.531 29.700 -0.024 0.000 0.772 1046 E HN 0.247 nan 8.360 nan 0.000 0.491 1047 N N 0.818 119.509 118.700 -0.016 0.000 2.268 1047 N HA 0.168 4.910 4.740 0.003 0.000 0.204 1047 N C -0.304 175.214 175.510 0.012 0.000 1.124 1047 N CA 0.237 53.289 53.050 0.003 0.000 0.838 1047 N CB 0.734 39.228 38.487 0.012 0.000 0.994 1047 N HN 0.198 nan 8.380 nan 0.000 0.489 1048 L N 0.372 121.591 121.223 -0.007 0.000 2.334 1048 L HA 0.277 4.619 4.340 0.003 0.000 0.273 1048 L C 1.662 178.551 176.870 0.032 0.000 1.013 1048 L CA -0.504 54.346 54.840 0.016 0.000 0.816 1048 L CB 2.303 44.328 42.059 -0.056 0.000 1.278 1048 L HN -0.054 nan 8.230 nan 0.000 0.431 1049 E N 1.040 121.290 120.200 0.084 0.000 2.106 1049 E HA -0.064 4.288 4.350 0.003 0.000 0.192 1049 E C -0.261 176.312 176.600 -0.044 0.000 0.984 1049 E CA 0.969 57.399 56.400 0.050 0.000 0.806 1049 E CB 0.483 30.271 29.700 0.148 0.000 0.750 1049 E HN 0.331 nan 8.360 nan 0.000 0.458 1050 V N 3.119 123.030 119.914 -0.006 0.000 2.357 1050 V HA 0.236 4.358 4.120 0.003 0.000 0.281 1050 V C -2.386 173.749 176.094 0.068 0.000 1.015 1050 V CA -1.626 60.654 62.300 -0.034 0.000 0.827 1050 V CB 1.140 32.896 31.823 -0.112 0.000 1.018 1050 V HN 0.069 nan 8.190 nan 0.000 0.432 1051 P HA 0.005 nan 4.420 nan 0.000 0.265 1051 P C -1.069 176.221 177.300 -0.016 0.000 1.187 1051 P CA 0.207 63.284 63.100 -0.038 0.000 0.766 1051 P CB 0.219 31.877 31.700 -0.070 0.000 0.820 1052 Y N 4.452 124.647 120.300 -0.175 0.000 2.491 1052 Y HA 0.360 4.911 4.550 0.003 0.000 0.334 1052 Y C 0.928 176.653 175.900 -0.292 0.000 0.969 1052 Y CA -0.312 57.656 58.100 -0.220 0.000 1.241 1052 Y CB 0.207 38.674 38.460 0.010 0.000 1.105 1052 Y HN 0.308 nan 8.280 nan 0.000 0.503 1053 I N 1.755 121.809 120.570 -0.860 0.000 4.139 1053 I HA 0.079 4.251 4.170 0.003 0.000 0.335 1053 I C 0.168 176.023 176.117 -0.436 0.000 1.327 1053 I CA 0.001 60.999 61.300 -0.503 0.000 1.112 1053 I CB -0.089 37.732 38.000 -0.298 0.000 1.058 1053 I HN 0.507 nan 8.210 nan 0.000 0.396 1054 Y N 1.607 121.642 120.300 -0.441 0.000 2.421 1054 Y HA 0.102 4.653 4.550 0.003 0.000 0.292 1054 Y C 1.774 177.635 175.900 -0.065 0.000 1.136 1054 Y CA 0.490 58.465 58.100 -0.209 0.000 1.255 1054 Y CB -0.085 38.248 38.460 -0.212 0.000 0.991 1054 Y HN 0.192 nan 8.280 nan 0.000 0.552 1055 L N 0.468 121.703 121.223 0.019 0.000 2.872 1055 L HA 0.216 4.558 4.340 0.003 0.000 0.245 1055 L C -0.243 176.669 176.870 0.070 0.000 1.211 1055 L CA -0.207 54.715 54.840 0.137 0.000 1.013 1055 L CB 0.098 42.323 42.059 0.277 0.000 1.326 1055 L HN 0.138 nan 8.230 nan 0.000 0.525 1056 L N 1.626 122.844 121.223 -0.007 0.000 2.499 1056 L HA 0.033 4.374 4.340 0.003 0.000 0.273 1056 L C -1.062 175.778 176.870 -0.050 0.000 1.195 1056 L CA -1.141 53.673 54.840 -0.044 0.000 0.882 1056 L CB 0.692 42.691 42.059 -0.100 0.000 1.133 1056 L HN -0.109 nan 8.230 nan 0.000 0.483 1057 P HA -0.226 nan 4.420 nan 0.000 0.216 1057 P C 1.131 178.368 177.300 -0.105 0.000 1.150 1057 P CA 1.148 64.211 63.100 -0.061 0.000 0.843 1057 P CB 0.106 31.744 31.700 -0.103 0.000 0.787 1058 E N -0.129 119.950 120.200 -0.202 0.000 2.418 1058 E HA -0.130 4.222 4.350 0.003 0.000 0.197 1058 E C 1.387 177.560 176.600 -0.711 0.000 1.026 1058 E CA 0.698 56.868 56.400 -0.382 0.000 0.862 1058 E CB -0.305 29.186 29.700 -0.348 0.000 0.799 1058 E HN 0.285 nan 8.360 nan 0.000 0.518 1059 R N 0.406 120.654 120.500 -0.420 0.000 2.437 1059 R HA 0.358 4.699 4.340 0.003 0.000 0.257 1059 R C 0.155 176.421 176.300 -0.056 0.000 0.927 1059 R CA -0.131 55.710 56.100 -0.433 0.000 1.078 1059 R CB 0.649 30.819 30.300 -0.217 0.000 1.161 1059 R HN 0.144 nan 8.270 nan 0.000 0.529 1060 I N 3.057 123.705 120.570 0.129 0.000 2.307 1060 I HA 0.250 4.421 4.170 0.003 0.000 0.289 1060 I C -2.338 173.983 176.117 0.340 0.000 1.021 1060 I CA -2.587 58.865 61.300 0.253 0.000 1.224 1060 I CB 1.456 39.567 38.000 0.185 0.000 1.376 1060 I HN -0.316 nan 8.210 nan 0.000 0.470 1061 P HA 0.072 nan 4.420 nan 0.000 0.269 1061 P C 0.295 177.710 177.300 0.191 0.000 1.209 1061 P CA -0.135 63.022 63.100 0.095 0.000 0.776 1061 P CB 0.568 32.395 31.700 0.212 0.000 0.876 1062 N N 0.339 119.114 118.700 0.126 0.000 2.272 1062 N HA -0.085 4.657 4.740 0.003 0.000 0.185 1062 N C 1.076 176.791 175.510 0.341 0.000 1.014 1062 N CA 1.319 54.513 53.050 0.241 0.000 0.870 1062 N CB -0.192 38.328 38.487 0.057 0.000 0.975 1062 N HN 0.550 nan 8.380 nan 0.000 0.433 1063 G N -1.865 107.071 108.800 0.228 0.000 2.949 1063 G HA2 0.432 4.393 3.960 0.003 0.000 0.285 1063 G HA3 0.432 4.393 3.960 0.003 0.000 0.285 1063 G C -1.268 173.710 174.900 0.130 0.000 1.395 1063 G CA -0.332 44.855 45.100 0.145 0.000 0.901 1063 G HN -0.073 nan 8.290 nan 0.000 0.519 1064 T N 0.851 115.395 114.554 -0.016 0.000 2.929 1064 T HA 0.530 4.882 4.350 0.003 0.000 0.331 1064 T C 0.599 175.176 174.700 -0.205 0.000 1.120 1064 T CA 0.418 62.314 62.100 -0.341 0.000 0.973 1064 T CB 1.015 69.615 68.868 -0.447 0.000 1.036 1064 T HN 0.850 nan 8.240 nan 0.000 0.502 1065 A N 3.412 126.227 122.820 -0.009 0.000 2.545 1065 A HA 0.691 5.013 4.320 0.003 0.000 0.263 1065 A C 0.142 177.915 177.584 0.314 0.000 1.202 1065 A CA -0.065 52.070 52.037 0.164 0.000 0.959 1065 A CB 0.233 19.331 19.000 0.163 0.000 1.124 1065 A HN 0.631 nan 8.150 nan 0.000 0.543 1066 I N 0.000 120.773 120.570 0.338 0.000 2.984 1066 I HA 0.000 4.172 4.170 0.003 0.000 0.288 1066 I CA 0.000 61.540 61.300 0.400 0.000 1.566 1066 I CB 0.000 38.193 38.000 0.321 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494