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 3fg3_1_B DATA FIRST_RESID 373 DATA SEQUENCE HAIYNVEVET GDREHAGTDA TITIRITGAK GRTDYLKLDK GSXXXFEAGS DATA SEQUENCE KEQYTVQGFD VGDIQLIELH SDGGGYWSGD PDWFVNRVII ISSTQDRVYS DATA SEQUENCE FPCFRWVIKD MVLFPGEATL PFNEVPAIVS EQRQKELEQR KLTYQWDYVS DATA SEQUENCE DDMPGNIKAK THDDLPRDVQ FTDEKSRSYQ ESRKAALVNL GIGSLFTMFE DATA SEQUENCE NWDSYDDYHI LYRNWILGGT PNMADRWHED RWFGYQFLNG ANPVILTRCD DATA SEQUENCE ALPSNFPVTN EHVNASLDRG KNLDEEIKDG HIYIVDFKVL VGAKSYGGPV DATA SEQUENCE LEDIGYKXXX XXXXXXADIR YCAAPLALFY VNKLGHLMPI AIQINQEPGP DATA SEQUENCE ENPIWTPHEE NEHDWMMAKF WLGVAESNFH QLNTHLLRTH LTTESFALST DATA SEQUENCE WRNLASAHPI FKLLQPHIYG VLAIDTIGRK ELWGSGGIVD 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 0.000 175.236 175.328 -0.153 0.000 0.993 373 H CA 0.000 55.996 56.048 -0.087 0.000 1.023 373 H CB 0.000 29.755 29.762 -0.011 0.000 1.292 374 A N 1.716 124.433 122.820 -0.173 0.000 2.384 374 A HA 0.648 4.898 4.320 -0.117 0.000 0.312 374 A C -1.045 176.279 177.584 -0.435 0.000 1.113 374 A CA -0.606 51.197 52.037 -0.391 0.000 0.779 374 A CB 1.254 19.831 19.000 -0.704 0.000 1.307 374 A HN 0.338 nan 8.150 nan 0.000 0.436 375 I N 1.273 121.611 120.570 -0.387 0.000 2.336 375 I HA 0.305 4.405 4.170 -0.117 0.000 0.292 375 I C -1.119 174.797 176.117 -0.335 0.000 0.991 375 I CA -0.452 60.710 61.300 -0.229 0.000 1.227 375 I CB 0.326 38.281 38.000 -0.074 0.000 1.366 375 I HN 0.543 nan 8.210 nan 0.000 0.466 376 Y N 4.632 124.965 120.300 0.056 0.000 2.335 376 Y HA 0.369 4.850 4.550 -0.116 0.000 0.338 376 Y C 0.611 176.568 175.900 0.095 0.000 0.977 376 Y CA -0.710 57.433 58.100 0.071 0.000 1.114 376 Y CB 1.140 39.631 38.460 0.052 0.000 1.182 376 Y HN 0.431 nan 8.280 nan 0.000 0.463 377 N N 2.971 121.817 118.700 0.243 0.000 2.419 377 N HA 0.371 5.041 4.740 -0.117 0.000 0.264 377 N C -1.304 174.344 175.510 0.229 0.000 1.031 377 N CA -0.255 52.915 53.050 0.200 0.000 0.951 377 N CB 2.163 40.736 38.487 0.144 0.000 1.101 377 N HN 0.278 nan 8.380 nan 0.000 0.488 378 V N 1.813 121.873 119.914 0.242 0.000 2.444 378 V HA 0.283 4.333 4.120 -0.117 0.000 0.294 378 V C 0.052 176.318 176.094 0.286 0.000 1.022 378 V CA -0.751 61.697 62.300 0.248 0.000 0.850 378 V CB 1.958 33.924 31.823 0.239 0.000 0.992 378 V HN 0.619 nan 8.190 nan 0.000 0.426 379 E N 3.895 124.239 120.200 0.239 0.000 2.187 379 E HA 0.705 4.985 4.350 -0.117 0.000 0.268 379 E C -1.782 174.960 176.600 0.236 0.000 0.896 379 E CA -0.508 56.032 56.400 0.234 0.000 0.766 379 E CB 2.206 32.004 29.700 0.163 0.000 1.142 379 E HN 0.462 nan 8.360 nan 0.000 0.408 380 V N 4.238 124.336 119.914 0.307 0.000 2.487 380 V HA 0.280 4.330 4.120 -0.117 0.000 0.298 380 V C -0.733 175.479 176.094 0.196 0.000 1.028 380 V CA -0.792 61.644 62.300 0.227 0.000 0.860 380 V CB 1.728 33.760 31.823 0.348 0.000 0.991 380 V HN 0.721 nan 8.190 nan 0.000 0.427 381 E N 2.513 122.740 120.200 0.044 0.000 2.109 381 E HA 0.456 4.735 4.350 -0.117 0.000 0.278 381 E C -0.653 175.907 176.600 -0.068 0.000 0.954 381 E CA -0.464 55.954 56.400 0.030 0.000 0.779 381 E CB 1.676 31.375 29.700 -0.001 0.000 1.093 381 E HN 0.596 nan 8.360 nan 0.000 0.401 382 T N 1.886 116.472 114.554 0.053 0.000 2.882 382 T HA 0.348 4.628 4.350 -0.117 0.000 0.287 382 T C 0.524 175.248 174.700 0.041 0.000 0.992 382 T CA -0.661 61.459 62.100 0.033 0.000 1.076 382 T CB 1.322 70.376 68.868 0.311 0.000 0.961 382 T HN 0.561 nan 8.240 nan 0.000 0.490 383 G N 1.278 110.109 108.800 0.052 0.000 2.594 383 G HA2 0.152 4.041 3.960 -0.117 0.000 0.243 383 G HA3 0.152 4.041 3.960 -0.117 0.000 0.243 383 G C 0.188 175.107 174.900 0.032 0.000 1.229 383 G CA -0.500 44.651 45.100 0.086 0.000 0.843 383 G HN 0.766 nan 8.290 nan 0.000 0.578 384 D N -1.005 119.396 120.400 0.001 0.000 2.363 384 D HA 0.013 4.582 4.640 -0.117 0.000 0.220 384 D C 1.556 177.843 176.300 -0.022 0.000 0.994 384 D CA 0.206 54.209 54.000 0.005 0.000 0.890 384 D CB 0.213 41.017 40.800 0.008 0.000 0.906 384 D HN 0.520 nan 8.370 nan 0.000 0.530 385 R N 1.162 121.606 120.500 -0.093 0.000 2.679 385 R HA 0.165 4.435 4.340 -0.117 0.000 0.269 385 R C 0.257 176.577 176.300 0.032 0.000 1.076 385 R CA -0.474 55.585 56.100 -0.069 0.000 1.160 385 R CB 0.524 30.724 30.300 -0.167 0.000 1.054 385 R HN -0.009 nan 8.270 nan 0.000 0.507 386 E N 0.970 121.200 120.200 0.049 0.000 2.452 386 E HA -0.173 4.106 4.350 -0.117 0.000 0.261 386 E C -0.432 176.276 176.600 0.179 0.000 0.987 386 E CA 0.258 56.664 56.400 0.011 0.000 0.926 386 E CB 0.191 29.857 29.700 -0.057 0.000 0.934 386 E HN 0.776 nan 8.360 nan 0.000 0.452 387 H N 0.654 119.861 119.070 0.229 0.000 3.395 387 H HA -0.247 4.245 4.556 -0.107 0.000 0.222 387 H C 0.983 176.606 175.328 0.493 0.000 1.099 387 H CA 0.838 57.071 56.048 0.309 0.000 1.182 387 H CB -1.816 28.107 29.762 0.268 0.000 1.188 387 H HN 0.563 nan 8.280 nan 0.000 0.317 388 A N 0.742 123.830 122.820 0.446 0.000 2.019 388 A HA 0.122 4.372 4.320 -0.117 0.000 0.219 388 A C 1.991 179.843 177.584 0.447 0.000 1.164 388 A CA 1.380 53.609 52.037 0.319 0.000 0.644 388 A CB -0.388 18.686 19.000 0.123 0.000 0.805 388 A HN 0.519 nan 8.150 nan 0.000 0.449 389 G N -1.968 107.067 108.800 0.390 0.000 2.599 389 G HA2 0.453 4.343 3.960 -0.117 0.000 0.264 389 G HA3 0.453 4.343 3.960 -0.117 0.000 0.264 389 G C -0.298 174.769 174.900 0.279 0.000 1.200 389 G CA 0.591 45.903 45.100 0.354 0.000 0.896 389 G HN 0.354 nan 8.290 nan 0.000 0.536 390 T N -1.676 112.928 114.554 0.082 0.000 2.894 390 T HA 0.404 4.684 4.350 -0.117 0.000 0.309 390 T C -0.719 173.970 174.700 -0.018 0.000 1.208 390 T CA -0.249 61.840 62.100 -0.019 0.000 1.016 390 T CB 1.809 70.520 68.868 -0.263 0.000 1.192 390 T HN 0.560 nan 8.240 nan 0.000 0.491 391 D N 1.507 121.908 120.400 0.000 0.000 2.462 391 D HA 0.380 4.950 4.640 -0.117 0.000 0.221 391 D C 0.752 177.036 176.300 -0.027 0.000 1.173 391 D CA -0.313 53.686 54.000 -0.002 0.000 0.831 391 D CB -0.065 40.754 40.800 0.032 0.000 1.001 391 D HN 0.636 nan 8.370 nan 0.000 0.499 392 A N 0.181 122.957 122.820 -0.073 0.000 2.448 392 A HA 0.412 4.662 4.320 -0.117 0.000 0.239 392 A C 0.567 178.093 177.584 -0.096 0.000 1.080 392 A CA -0.017 51.968 52.037 -0.087 0.000 0.779 392 A CB 0.012 18.940 19.000 -0.121 0.000 1.026 392 A HN 0.183 nan 8.150 nan 0.000 0.499 393 T N 2.718 117.230 114.554 -0.071 0.000 2.794 393 T HA 0.418 4.698 4.350 -0.117 0.000 0.296 393 T C 0.030 174.683 174.700 -0.079 0.000 0.949 393 T CA 0.179 62.248 62.100 -0.053 0.000 1.101 393 T CB -0.043 68.813 68.868 -0.020 0.000 0.905 393 T HN 0.341 nan 8.240 nan 0.000 0.516 394 I N 4.202 124.731 120.570 -0.068 0.000 2.441 394 I HA 0.437 4.536 4.170 -0.117 0.000 0.295 394 I C 0.825 176.949 176.117 0.011 0.000 0.994 394 I CA -0.680 60.578 61.300 -0.070 0.000 1.144 394 I CB 1.571 39.471 38.000 -0.167 0.000 1.314 394 I HN 0.698 nan 8.210 nan 0.000 0.445 395 T N 4.184 118.789 114.554 0.084 0.000 2.916 395 T HA 0.798 5.077 4.350 -0.117 0.000 0.292 395 T C -0.516 174.329 174.700 0.243 0.000 1.055 395 T CA -0.778 61.418 62.100 0.161 0.000 1.009 395 T CB 2.691 71.685 68.868 0.211 0.000 1.118 395 T HN 0.491 nan 8.240 nan 0.000 0.497 396 I N 0.398 121.082 120.570 0.190 0.000 2.582 396 I HA 0.655 4.754 4.170 -0.117 0.000 0.292 396 I C -0.916 175.131 176.117 -0.117 0.000 1.066 396 I CA -1.217 60.120 61.300 0.062 0.000 1.053 396 I CB 2.049 40.015 38.000 -0.056 0.000 1.241 396 I HN 0.774 nan 8.210 nan 0.000 0.421 397 R N 7.702 127.980 120.500 -0.369 0.000 2.494 397 R HA 0.669 4.939 4.340 -0.117 0.000 0.305 397 R C -1.697 174.355 176.300 -0.413 0.000 0.959 397 R CA -0.581 55.163 56.100 -0.594 0.000 0.864 397 R CB 1.441 31.024 30.300 -1.196 0.000 1.159 397 R HN 0.637 nan 8.270 nan 0.000 0.446 398 I N 3.186 123.524 120.570 -0.388 0.000 2.377 398 I HA 0.315 4.415 4.170 -0.117 0.000 0.293 398 I C -0.335 175.638 176.117 -0.240 0.000 0.987 398 I CA -0.662 60.415 61.300 -0.371 0.000 1.185 398 I CB 2.296 39.949 38.000 -0.579 0.000 1.341 398 I HN 0.573 nan 8.210 nan 0.000 0.455 399 T N 4.018 118.474 114.554 -0.164 0.000 2.856 399 T HA 0.748 5.027 4.350 -0.117 0.000 0.283 399 T C 0.076 174.753 174.700 -0.038 0.000 1.008 399 T CA -0.629 61.425 62.100 -0.077 0.000 0.997 399 T CB 2.036 70.871 68.868 -0.055 0.000 0.992 399 T HN 0.891 nan 8.240 nan 0.000 0.454 400 G N 0.024 108.829 108.800 0.009 0.000 2.749 400 G HA2 0.610 4.499 3.960 -0.117 0.000 0.300 400 G HA3 0.610 4.499 3.960 -0.117 0.000 0.300 400 G C 0.851 175.780 174.900 0.049 0.000 1.352 400 G CA -0.093 45.018 45.100 0.019 0.000 0.789 400 G HN 0.713 nan 8.290 nan 0.000 0.509 401 A N -0.275 122.574 122.820 0.049 0.000 1.927 401 A HA -0.067 4.183 4.320 -0.117 0.000 0.220 401 A C 1.920 179.550 177.584 0.077 0.000 1.185 401 A CA 2.177 54.245 52.037 0.052 0.000 0.639 401 A CB -0.437 18.591 19.000 0.047 0.000 0.820 401 A HN 0.514 nan 8.150 nan 0.000 0.451 402 K N -1.218 119.251 120.400 0.116 0.000 2.404 402 K HA 0.373 4.622 4.320 -0.117 0.000 0.194 402 K C 0.890 177.689 176.600 0.332 0.000 1.023 402 K CA 0.449 56.850 56.287 0.189 0.000 1.094 402 K CB 0.208 32.792 32.500 0.141 0.000 0.841 402 K HN 0.620 nan 8.250 nan 0.000 0.523 403 G N 2.150 111.097 108.800 0.246 0.000 2.236 403 G HA2 -0.072 3.818 3.960 -0.117 0.000 0.231 403 G HA3 -0.072 3.818 3.960 -0.117 0.000 0.231 403 G C -1.692 173.270 174.900 0.104 0.000 1.334 403 G CA -0.782 44.395 45.100 0.128 0.000 1.137 403 G HN 0.278 nan 8.290 nan 0.000 0.482 404 R N -1.267 119.196 120.500 -0.061 0.000 2.663 404 R HA 0.732 5.001 4.340 -0.117 0.000 0.267 404 R C 0.017 176.251 176.300 -0.110 0.000 1.038 404 R CA -0.034 56.035 56.100 -0.052 0.000 0.886 404 R CB 1.059 31.290 30.300 -0.115 0.000 1.249 404 R HN 1.258 nan 8.270 nan 0.000 0.463 405 T N -1.149 113.355 114.554 -0.084 0.000 2.816 405 T HA 0.245 4.525 4.350 -0.117 0.000 0.282 405 T C 0.045 174.649 174.700 -0.160 0.000 0.993 405 T CA -0.619 61.432 62.100 -0.082 0.000 0.994 405 T CB 0.624 69.422 68.868 -0.116 0.000 1.025 405 T HN 0.516 nan 8.240 nan 0.000 0.529 406 D N -0.088 120.256 120.400 -0.095 0.000 2.354 406 D HA 0.109 4.679 4.640 -0.117 0.000 0.238 406 D C -0.317 175.909 176.300 -0.123 0.000 1.250 406 D CA 0.143 54.102 54.000 -0.068 0.000 0.911 406 D CB -0.010 40.801 40.800 0.018 0.000 1.163 406 D HN 0.580 nan 8.370 nan 0.000 0.456 407 Y N 0.182 120.454 120.300 -0.047 0.000 2.605 407 Y HA 0.092 4.573 4.550 -0.115 0.000 0.336 407 Y C 0.342 176.231 175.900 -0.019 0.000 1.111 407 Y CA 0.038 58.112 58.100 -0.043 0.000 1.422 407 Y CB 0.124 38.555 38.460 -0.049 0.000 1.193 407 Y HN -0.026 nan 8.280 nan 0.000 0.526 408 L N 5.364 126.648 121.223 0.103 0.000 2.309 408 L HA 0.415 4.685 4.340 -0.117 0.000 0.282 408 L C -0.215 176.704 176.870 0.082 0.000 1.036 408 L CA -1.090 53.796 54.840 0.078 0.000 0.806 408 L CB 1.141 43.224 42.059 0.040 0.000 1.220 408 L HN 0.466 nan 8.230 nan 0.000 0.429 409 K N 4.191 124.634 120.400 0.071 0.000 2.368 409 K HA 0.370 4.620 4.320 -0.117 0.000 0.282 409 K C -0.804 175.788 176.600 -0.013 0.000 1.035 409 K CA -0.128 56.183 56.287 0.040 0.000 0.973 409 K CB 0.809 33.336 32.500 0.045 0.000 0.957 409 K HN 0.473 nan 8.250 nan 0.000 0.474 410 L N 3.242 124.396 121.223 -0.115 0.000 2.335 410 L HA 0.217 4.487 4.340 -0.117 0.000 0.268 410 L C -0.388 176.295 176.870 -0.311 0.000 1.037 410 L CA -0.223 54.346 54.840 -0.451 0.000 0.895 410 L CB 0.447 42.115 42.059 -0.651 0.000 1.266 410 L HN 0.710 nan 8.230 nan 0.000 0.439 411 D N 2.428 122.797 120.400 -0.052 0.000 3.256 411 D HA 0.176 4.745 4.640 -0.117 0.000 0.332 411 D C -0.788 175.560 176.300 0.079 0.000 1.327 411 D CA -0.336 53.666 54.000 0.002 0.000 0.735 411 D CB 0.570 41.370 40.800 -0.000 0.000 1.280 411 D HN 0.301 nan 8.370 nan 0.000 0.572 412 K N 0.485 120.999 120.400 0.189 0.000 2.507 412 K HA 0.746 4.996 4.320 -0.117 0.000 0.252 412 K C 0.231 176.839 176.600 0.013 0.000 0.943 412 K CA -0.892 55.444 56.287 0.081 0.000 0.808 412 K CB 2.099 34.636 32.500 0.062 0.000 1.142 412 K HN 0.208 nan 8.250 nan 0.000 0.426 413 G N 1.492 110.259 108.800 -0.055 0.000 2.710 413 G HA2 -0.204 3.686 3.960 -0.117 0.000 0.668 413 G HA3 -0.204 3.686 3.960 -0.117 0.000 0.668 413 G C -0.341 174.455 174.900 -0.174 0.000 1.320 413 G CA -0.430 44.605 45.100 -0.107 0.000 0.860 413 G HN 0.829 nan 8.290 nan 0.000 0.538 419 E N 1.378 121.729 120.200 0.252 0.000 2.349 419 E HA 0.560 4.840 4.350 -0.117 0.000 0.262 419 E C 0.194 176.929 176.600 0.226 0.000 1.088 419 E CA -0.451 56.069 56.400 0.199 0.000 0.899 419 E CB 1.463 31.238 29.700 0.126 0.000 1.044 419 E HN 0.511 nan 8.360 nan 0.000 0.420 420 A N 0.560 123.493 122.820 0.187 0.000 2.587 420 A HA 0.311 4.561 4.320 -0.117 0.000 0.235 420 A C 1.262 178.921 177.584 0.126 0.000 1.044 420 A CA 1.019 53.150 52.037 0.158 0.000 0.754 420 A CB -0.579 18.489 19.000 0.114 0.000 0.968 420 A HN 0.814 nan 8.150 nan 0.000 0.509 421 G N 1.398 110.267 108.800 0.116 0.000 2.179 421 G HA2 -0.179 3.711 3.960 -0.117 0.000 0.260 421 G HA3 -0.179 3.711 3.960 -0.117 0.000 0.260 421 G C 0.521 175.486 174.900 0.108 0.000 0.977 421 G CA 0.908 46.063 45.100 0.091 0.000 0.641 421 G HN 2.176 nan 8.290 nan 0.000 0.533 422 S N -0.751 115.041 115.700 0.154 0.000 2.601 422 S HA 0.708 5.108 4.470 -0.117 0.000 0.271 422 S C -0.177 174.529 174.600 0.177 0.000 1.305 422 S CA -0.315 57.982 58.200 0.162 0.000 1.022 422 S CB 2.200 65.523 63.200 0.205 0.000 0.940 422 S HN 0.373 nan 8.310 nan 0.000 0.525 423 K N 1.491 121.977 120.400 0.143 0.000 2.483 423 K HA 0.382 4.632 4.320 -0.117 0.000 0.256 423 K C -0.990 175.693 176.600 0.138 0.000 0.961 423 K CA -0.445 55.929 56.287 0.145 0.000 0.873 423 K CB 1.072 33.631 32.500 0.098 0.000 1.107 423 K HN 0.597 nan 8.250 nan 0.000 0.432 424 E N 2.465 122.792 120.200 0.212 0.000 2.238 424 E HA 0.280 4.560 4.350 -0.117 0.000 0.267 424 E C -0.908 175.724 176.600 0.053 0.000 0.887 424 E CA -0.699 55.770 56.400 0.114 0.000 0.769 424 E CB 2.478 32.319 29.700 0.235 0.000 1.187 424 E HN 0.457 nan 8.360 nan 0.000 0.416 425 Q N 1.307 120.949 119.800 -0.263 0.000 2.342 425 Q HA 0.550 4.819 4.340 -0.117 0.000 0.267 425 Q C -1.200 174.386 176.000 -0.689 0.000 1.038 425 Q CA -0.683 54.984 55.803 -0.226 0.000 0.832 425 Q CB 1.939 30.610 28.738 -0.111 0.000 1.323 425 Q HN 0.426 nan 8.270 nan 0.000 0.448 426 Y N -0.411 119.945 120.300 0.093 0.000 2.524 426 Y HA 0.451 4.931 4.550 -0.116 0.000 0.347 426 Y C -0.384 175.573 175.900 0.096 0.000 1.005 426 Y CA -0.844 57.308 58.100 0.086 0.000 1.025 426 Y CB 2.647 41.173 38.460 0.111 0.000 1.275 426 Y HN 0.397 nan 8.280 nan 0.000 0.460 427 T N 3.326 118.007 114.554 0.211 0.000 2.833 427 T HA 0.548 4.828 4.350 -0.117 0.000 0.297 427 T C -0.781 174.030 174.700 0.185 0.000 1.015 427 T CA -0.672 61.529 62.100 0.169 0.000 0.963 427 T CB 0.249 69.178 68.868 0.102 0.000 0.955 427 T HN 0.532 nan 8.240 nan 0.000 0.449 428 V N 1.745 121.787 119.914 0.214 0.000 2.919 428 V HA 0.782 4.831 4.120 -0.117 0.000 0.316 428 V C -0.784 175.451 176.094 0.235 0.000 1.077 428 V CA -1.084 61.340 62.300 0.208 0.000 0.977 428 V CB 2.130 34.067 31.823 0.189 0.000 1.039 428 V HN 0.800 nan 8.190 nan 0.000 0.441 429 Q N 0.734 120.659 119.800 0.209 0.000 2.337 429 Q HA 0.764 5.034 4.340 -0.117 0.000 0.270 429 Q C -0.472 175.650 176.000 0.203 0.000 1.043 429 Q CA -0.023 55.897 55.803 0.195 0.000 0.794 429 Q CB 2.058 30.905 28.738 0.182 0.000 1.281 429 Q HN 1.403 nan 8.270 nan 0.000 0.446 430 G N 1.747 110.614 108.800 0.111 0.000 2.606 430 G HA2 0.283 4.173 3.960 -0.117 0.000 0.300 430 G HA3 0.283 4.173 3.960 -0.117 0.000 0.300 430 G C -1.708 172.810 174.900 -0.637 0.000 1.360 430 G CA -0.974 44.033 45.100 -0.156 0.000 0.783 430 G HN 0.651 nan 8.290 nan 0.000 0.484 431 F N 1.257 120.774 119.950 -0.721 0.000 2.604 431 F HA 0.156 4.613 4.527 -0.117 0.000 0.390 431 F C 0.623 176.386 175.800 -0.062 0.000 1.053 431 F CA 0.124 57.914 58.000 -0.349 0.000 1.256 431 F CB 0.690 39.609 39.000 -0.136 0.000 0.996 431 F HN 0.334 nan 8.300 nan 0.000 0.564 432 D N 5.922 125.905 120.400 -0.696 0.000 2.342 432 D HA 0.048 4.618 4.640 -0.117 0.000 0.260 432 D C 0.916 176.898 176.300 -0.531 0.000 1.278 432 D CA -0.031 53.693 54.000 -0.461 0.000 0.910 432 D CB 0.787 41.352 40.800 -0.391 0.000 1.079 432 D HN 0.403 nan 8.370 nan 0.000 0.496 433 V N 2.296 122.196 119.914 -0.024 0.000 3.573 433 V HA 0.352 4.402 4.120 -0.117 0.000 0.270 433 V C 1.345 177.471 176.094 0.055 0.000 1.221 433 V CA 0.562 62.933 62.300 0.117 0.000 1.163 433 V CB -1.016 30.908 31.823 0.169 0.000 0.847 433 V HN 0.717 nan 8.190 nan 0.000 0.468 434 G N 1.240 110.042 108.800 0.002 0.000 2.547 434 G HA2 -0.381 3.508 3.960 -0.117 0.000 0.271 434 G HA3 -0.381 3.508 3.960 -0.117 0.000 0.271 434 G C -0.233 174.711 174.900 0.074 0.000 1.209 434 G CA 0.480 45.597 45.100 0.028 0.000 0.959 434 G HN 0.894 nan 8.290 nan 0.000 0.563 435 D N 0.665 121.120 120.400 0.093 0.000 2.450 435 D HA 0.338 4.908 4.640 -0.117 0.000 0.247 435 D C 0.982 177.296 176.300 0.024 0.000 1.162 435 D CA 0.060 54.148 54.000 0.146 0.000 0.879 435 D CB 0.050 40.941 40.800 0.152 0.000 1.163 435 D HN 0.516 nan 8.370 nan 0.000 0.472 436 I N 3.798 124.232 120.570 -0.225 0.000 2.441 436 I HA 0.030 4.130 4.170 -0.117 0.000 0.287 436 I C 1.312 177.338 176.117 -0.153 0.000 1.049 436 I CA 0.073 61.147 61.300 -0.376 0.000 1.381 436 I CB 1.157 38.641 38.000 -0.860 0.000 1.409 436 I HN 0.534 nan 8.210 nan 0.000 0.523 437 Q N 5.848 125.636 119.800 -0.019 0.000 2.431 437 Q HA 0.290 4.559 4.340 -0.117 0.000 0.244 437 Q C -0.700 175.402 176.000 0.170 0.000 0.880 437 Q CA 0.274 56.108 55.803 0.052 0.000 0.954 437 Q CB 0.826 29.572 28.738 0.014 0.000 1.105 437 Q HN 0.641 nan 8.270 nan 0.000 0.558 438 L N -2.040 119.300 121.223 0.195 0.000 2.775 438 L HA 0.629 4.899 4.340 -0.117 0.000 0.263 438 L C -1.190 175.707 176.870 0.044 0.000 1.017 438 L CA -1.318 53.716 54.840 0.323 0.000 0.891 438 L CB 1.205 43.508 42.059 0.405 0.000 1.482 438 L HN 0.032 nan 8.230 nan 0.000 0.410 439 I N -2.433 118.059 120.570 -0.130 0.000 3.042 439 I HA 0.831 4.931 4.170 -0.117 0.000 0.310 439 I C -1.224 174.754 176.117 -0.232 0.000 1.117 439 I CA -0.630 60.472 61.300 -0.330 0.000 1.003 439 I CB 2.551 40.150 38.000 -0.668 0.000 1.228 439 I HN 0.772 nan 8.210 nan 0.000 0.443 440 E N 3.382 123.461 120.200 -0.202 0.000 2.234 440 E HA 0.594 4.874 4.350 -0.117 0.000 0.266 440 E C -1.481 175.122 176.600 0.004 0.000 0.877 440 E CA -0.668 55.681 56.400 -0.083 0.000 0.758 440 E CB 2.998 32.691 29.700 -0.012 0.000 1.170 440 E HN 0.453 nan 8.360 nan 0.000 0.415 441 L N 2.584 123.819 121.223 0.021 0.000 2.309 441 L HA 0.459 4.729 4.340 -0.117 0.000 0.282 441 L C -0.467 176.520 176.870 0.194 0.000 1.036 441 L CA -0.768 54.129 54.840 0.094 0.000 0.806 441 L CB 0.925 42.986 42.059 0.003 0.000 1.220 441 L HN 0.547 nan 8.230 nan 0.000 0.429 442 H N 1.494 120.632 119.070 0.113 0.000 2.529 442 H HA 0.456 4.943 4.556 -0.116 0.000 0.348 442 H C -0.935 174.385 175.328 -0.014 0.000 1.079 442 H CA -0.334 55.704 56.048 -0.016 0.000 1.198 442 H CB 1.957 31.545 29.762 -0.290 0.000 1.521 442 H HN 0.480 nan 8.280 nan 0.000 0.514 443 S N 2.492 117.786 115.700 -0.676 0.000 2.473 443 S HA 0.133 4.533 4.470 -0.117 0.000 0.307 443 S C 0.468 174.670 174.600 -0.664 0.000 1.094 443 S CA -0.585 57.331 58.200 -0.473 0.000 1.070 443 S CB 0.720 63.805 63.200 -0.192 0.000 1.019 443 S HN 0.842 nan 8.310 nan 0.000 0.480 444 D N 3.290 123.493 120.400 -0.330 0.000 2.363 444 D HA 0.109 4.679 4.640 -0.117 0.000 0.226 444 D C 1.326 177.557 176.300 -0.115 0.000 1.020 444 D CA 0.924 54.829 54.000 -0.158 0.000 0.892 444 D CB -0.584 40.192 40.800 -0.039 0.000 0.900 444 D HN 1.079 nan 8.370 nan 0.000 0.531 445 G N -0.700 108.023 108.800 -0.129 0.000 2.159 445 G HA2 0.041 3.930 3.960 -0.117 0.000 0.256 445 G HA3 0.041 3.930 3.960 -0.117 0.000 0.256 445 G C 0.797 175.666 174.900 -0.051 0.000 0.977 445 G CA 0.360 45.414 45.100 -0.077 0.000 0.652 445 G HN 1.379 nan 8.290 nan 0.000 0.531 446 G N -1.810 106.963 108.800 -0.046 0.000 2.746 446 G HA2 0.480 4.370 3.960 -0.117 0.000 0.685 446 G HA3 0.480 4.370 3.960 -0.117 0.000 0.685 446 G C 0.773 175.668 174.900 -0.009 0.000 1.350 446 G CA 0.548 45.635 45.100 -0.021 0.000 0.837 446 G HN 2.006 nan 8.290 nan 0.000 0.564 447 G N -1.601 107.209 108.800 0.018 0.000 2.702 447 G HA2 0.581 4.470 3.960 -0.117 0.000 0.254 447 G HA3 0.581 4.470 3.960 -0.117 0.000 0.254 447 G C 0.857 175.746 174.900 -0.018 0.000 1.380 447 G CA 0.559 45.673 45.100 0.024 0.000 1.042 447 G HN 1.292 nan 8.290 nan 0.000 0.557 448 Y N -0.775 119.401 120.300 -0.206 0.000 2.151 448 Y HA -0.205 4.276 4.550 -0.114 0.000 0.284 448 Y C 2.195 177.835 175.900 -0.434 0.000 1.166 448 Y CA 1.996 59.852 58.100 -0.406 0.000 1.163 448 Y CB -0.003 38.073 38.460 -0.640 0.000 0.974 448 Y HN 0.488 nan 8.280 nan 0.000 0.511 449 W N 0.090 121.381 121.300 -0.015 0.000 3.256 449 W HA 0.187 4.778 4.660 -0.115 0.000 0.269 449 W C 0.666 177.142 176.519 -0.072 0.000 1.310 449 W CA -0.013 57.288 57.345 -0.073 0.000 1.673 449 W CB -0.138 29.338 29.460 0.027 0.000 1.115 449 W HN -0.263 nan 8.180 nan 0.000 0.686 450 S N 1.014 116.771 115.700 0.095 0.000 2.498 450 S HA 0.174 4.573 4.470 -0.117 0.000 0.281 450 S C 1.342 175.954 174.600 0.019 0.000 1.265 450 S CA 0.265 58.501 58.200 0.060 0.000 1.071 450 S CB 1.163 64.376 63.200 0.021 0.000 0.894 450 S HN 0.384 nan 8.310 nan 0.000 0.491 451 G N 1.676 110.501 108.800 0.041 0.000 2.426 451 G HA2 0.014 3.904 3.960 -0.117 0.000 0.214 451 G HA3 0.014 3.904 3.960 -0.117 0.000 0.214 451 G C 0.151 175.033 174.900 -0.031 0.000 1.156 451 G CA 0.185 45.290 45.100 0.009 0.000 0.802 451 G HN 0.680 nan 8.290 nan 0.000 0.534 452 D N -0.896 119.503 120.400 -0.000 0.000 2.714 452 D HA 0.266 4.835 4.640 -0.117 0.000 0.264 452 D C -1.395 174.937 176.300 0.054 0.000 1.231 452 D CA -1.145 52.839 54.000 -0.027 0.000 0.802 452 D CB 1.305 42.036 40.800 -0.115 0.000 1.319 452 D HN -0.012 nan 8.370 nan 0.000 0.528 453 P HA -0.075 nan 4.420 nan 0.000 0.222 453 P C -0.202 177.172 177.300 0.124 0.000 1.147 453 P CA 0.519 63.645 63.100 0.044 0.000 0.790 453 P CB 0.257 31.956 31.700 -0.003 0.000 0.780 454 D N -0.097 120.397 120.400 0.156 0.000 2.423 454 D HA 0.078 4.648 4.640 -0.117 0.000 0.238 454 D C -0.425 176.252 176.300 0.629 0.000 1.142 454 D CA 0.510 54.698 54.000 0.314 0.000 0.884 454 D CB 0.169 41.071 40.800 0.168 0.000 1.199 454 D HN 0.102 nan 8.370 nan 0.000 0.438 455 W N 3.754 125.309 121.300 0.424 0.000 2.830 455 W HA 0.375 4.960 4.660 -0.126 0.000 0.335 455 W C -1.935 174.568 176.519 -0.026 0.000 1.043 455 W CA -1.571 55.892 57.345 0.197 0.000 1.239 455 W CB 0.477 29.921 29.460 -0.026 0.000 1.378 455 W HN 0.186 nan 8.180 nan 0.000 0.456 456 F N 7.165 126.843 119.950 -0.453 0.000 2.350 456 F HA 0.539 4.992 4.527 -0.124 0.000 0.365 456 F C -0.596 174.700 175.800 -0.841 0.000 1.122 456 F CA -0.534 56.854 58.000 -1.021 0.000 1.139 456 F CB 0.614 38.704 39.000 -1.516 0.000 1.220 456 F HN -0.028 nan 8.300 nan 0.000 0.499 457 V N 7.634 126.758 119.914 -1.317 0.000 2.407 457 V HA 0.152 4.202 4.120 -0.117 0.000 0.278 457 V C 0.690 176.145 176.094 -1.064 0.000 1.037 457 V CA -0.318 61.289 62.300 -1.153 0.000 0.900 457 V CB 1.282 32.332 31.823 -1.289 0.000 0.983 457 V HN 0.857 nan 8.190 nan 0.000 0.459 458 N N 3.363 121.580 118.700 -0.804 0.000 2.132 458 N HA 0.056 4.726 4.740 -0.117 0.000 0.187 458 N C 0.844 175.750 175.510 -1.005 0.000 1.038 458 N CA 0.621 52.967 53.050 -1.173 0.000 0.846 458 N CB 0.280 38.310 38.487 -0.761 0.000 1.012 458 N HN 0.588 nan 8.380 nan 0.000 0.429 459 R N 0.101 120.290 120.500 -0.518 0.000 2.664 459 R HA 0.397 4.666 4.340 -0.117 0.000 0.266 459 R C -2.235 173.988 176.300 -0.130 0.000 1.046 459 R CA -0.423 55.527 56.100 -0.249 0.000 0.885 459 R CB 1.447 31.692 30.300 -0.090 0.000 1.254 459 R HN -0.193 nan 8.270 nan 0.000 0.465 460 V N 4.249 124.164 119.914 0.002 0.000 2.604 460 V HA 0.582 4.631 4.120 -0.117 0.000 0.305 460 V C -0.331 175.918 176.094 0.258 0.000 1.043 460 V CA -0.672 61.667 62.300 0.065 0.000 0.888 460 V CB 1.914 33.701 31.823 -0.059 0.000 0.995 460 V HN 0.590 nan 8.190 nan 0.000 0.429 461 I N 5.023 125.734 120.570 0.236 0.000 2.509 461 I HA 0.589 4.689 4.170 -0.117 0.000 0.293 461 I C -0.897 175.401 176.117 0.301 0.000 1.020 461 I CA -0.428 61.044 61.300 0.287 0.000 1.088 461 I CB 2.083 40.196 38.000 0.188 0.000 1.267 461 I HN 0.411 nan 8.210 nan 0.000 0.430 462 I N 6.444 127.254 120.570 0.400 0.000 2.582 462 I HA 0.491 4.590 4.170 -0.117 0.000 0.292 462 I C -0.882 175.488 176.117 0.422 0.000 1.066 462 I CA -0.557 60.970 61.300 0.378 0.000 1.053 462 I CB 2.630 40.850 38.000 0.367 0.000 1.241 462 I HN 0.358 nan 8.210 nan 0.000 0.421 463 I N 3.875 124.645 120.570 0.334 0.000 2.436 463 I HA 0.284 4.383 4.170 -0.117 0.000 0.289 463 I C -0.059 176.233 176.117 0.292 0.000 1.010 463 I CA -0.359 61.116 61.300 0.292 0.000 1.098 463 I CB 2.097 40.198 38.000 0.168 0.000 1.266 463 I HN 0.506 nan 8.210 nan 0.000 0.434 464 S N 3.130 119.015 115.700 0.309 0.000 2.508 464 S HA 0.204 4.604 4.470 -0.117 0.000 0.284 464 S C 1.190 175.798 174.600 0.013 0.000 1.192 464 S CA -0.370 57.910 58.200 0.133 0.000 1.070 464 S CB 1.343 64.664 63.200 0.202 0.000 1.004 464 S HN 0.727 nan 8.310 nan 0.000 0.493 465 S N 2.646 118.277 115.700 -0.115 0.000 2.500 465 S HA -0.107 4.293 4.470 -0.117 0.000 0.239 465 S C 1.515 176.080 174.600 -0.058 0.000 0.989 465 S CA 1.304 59.459 58.200 -0.075 0.000 0.951 465 S CB -0.962 62.176 63.200 -0.104 0.000 0.759 465 S HN 0.951 nan 8.310 nan 0.000 0.523 466 T N -2.163 112.350 114.554 -0.067 0.000 3.086 466 T HA 0.246 4.526 4.350 -0.117 0.000 0.250 466 T C 0.347 175.057 174.700 0.016 0.000 1.074 466 T CA -0.350 61.727 62.100 -0.037 0.000 0.988 466 T CB -0.005 68.823 68.868 -0.068 0.000 0.988 466 T HN 0.243 nan 8.240 nan 0.000 0.530 467 Q N 1.158 120.994 119.800 0.060 0.000 2.375 467 Q HA 0.361 4.630 4.340 -0.117 0.000 0.271 467 Q C -1.205 174.832 176.000 0.061 0.000 1.074 467 Q CA -0.480 55.384 55.803 0.102 0.000 0.808 467 Q CB 2.063 30.950 28.738 0.248 0.000 1.327 467 Q HN 0.301 nan 8.270 nan 0.000 0.441 468 D N 2.098 122.509 120.400 0.019 0.000 3.072 468 D HA 0.205 4.774 4.640 -0.117 0.000 0.250 468 D C -0.078 176.178 176.300 -0.074 0.000 1.304 468 D CA 0.112 54.102 54.000 -0.017 0.000 0.861 468 D CB 0.697 41.487 40.800 -0.017 0.000 1.062 468 D HN 0.150 nan 8.370 nan 0.000 0.481 469 R N -0.345 120.072 120.500 -0.138 0.000 2.854 469 R HA 0.570 4.840 4.340 -0.117 0.000 0.271 469 R C -0.832 175.265 176.300 -0.340 0.000 0.994 469 R CA -0.900 54.998 56.100 -0.337 0.000 0.945 469 R CB 2.590 32.475 30.300 -0.691 0.000 1.194 469 R HN -0.156 nan 8.270 nan 0.000 0.476 470 V N 2.806 122.530 119.914 -0.317 0.000 2.347 470 V HA 0.314 4.364 4.120 -0.117 0.000 0.280 470 V C -1.066 174.874 176.094 -0.256 0.000 1.021 470 V CA -0.683 61.515 62.300 -0.169 0.000 0.847 470 V CB 0.818 32.608 31.823 -0.056 0.000 0.990 470 V HN 0.569 nan 8.190 nan 0.000 0.444 471 Y N 2.605 122.928 120.300 0.038 0.000 2.341 471 Y HA 0.502 4.982 4.550 -0.117 0.000 0.340 471 Y C 0.730 176.550 175.900 -0.135 0.000 0.997 471 Y CA -0.013 58.030 58.100 -0.096 0.000 1.149 471 Y CB 1.790 40.254 38.460 0.007 0.000 1.171 471 Y HN 0.569 nan 8.280 nan 0.000 0.494 472 S N 4.394 119.989 115.700 -0.175 0.000 2.478 472 S HA 0.642 5.041 4.470 -0.117 0.000 0.312 472 S C -1.337 173.106 174.600 -0.262 0.000 1.094 472 S CA -0.573 57.584 58.200 -0.073 0.000 1.081 472 S CB 0.048 63.246 63.200 -0.002 0.000 1.007 472 S HN 0.445 nan 8.310 nan 0.000 0.475 473 F N 6.227 126.211 119.950 0.058 0.000 2.443 473 F HA 0.399 4.856 4.527 -0.117 0.000 0.369 473 F C -2.081 173.696 175.800 -0.039 0.000 1.090 473 F CA -2.028 55.979 58.000 0.012 0.000 1.129 473 F CB 1.613 40.596 39.000 -0.028 0.000 1.367 473 F HN 0.352 nan 8.300 nan 0.000 0.465 474 P HA 0.138 nan 4.420 nan 0.000 0.278 474 P C -0.129 177.183 177.300 0.021 0.000 1.238 474 P CA -0.061 63.111 63.100 0.120 0.000 0.794 474 P CB 2.562 34.385 31.700 0.205 0.000 0.955 475 C N 2.706 121.932 119.300 -0.122 0.000 3.120 475 C HA 0.348 4.737 4.460 -0.117 0.000 0.222 475 C C 0.298 175.220 174.990 -0.114 0.000 2.428 475 C CA 0.090 58.969 59.018 -0.232 0.000 1.422 475 C CB -1.317 26.143 27.740 -0.467 0.000 1.236 475 C HN 0.548 nan 8.230 nan 0.000 0.746 476 F N 1.978 121.693 119.950 -0.392 0.000 3.071 476 F HA -0.109 4.347 4.527 -0.119 0.000 0.295 476 F C 0.286 175.817 175.800 -0.448 0.000 0.919 476 F CA 1.057 58.852 58.000 -0.342 0.000 1.050 476 F CB -1.568 37.436 39.000 0.007 0.000 1.040 476 F HN 0.484 nan 8.300 nan 0.000 0.692 477 R N -2.255 117.731 120.500 -0.856 0.000 2.781 477 R HA 0.485 4.755 4.340 -0.117 0.000 0.269 477 R C -1.245 174.584 176.300 -0.785 0.000 1.025 477 R CA -1.151 54.660 56.100 -0.480 0.000 0.914 477 R CB 0.998 31.300 30.300 0.004 0.000 1.236 477 R HN 0.092 nan 8.270 nan 0.000 0.465 478 W N 0.994 122.193 121.300 -0.169 0.000 2.304 478 W HA 0.292 4.907 4.660 -0.076 0.000 0.313 478 W C -0.084 176.362 176.519 -0.122 0.000 1.323 478 W CA -0.286 57.013 57.345 -0.076 0.000 1.223 478 W CB 0.901 30.421 29.460 0.100 0.000 1.237 478 W HN 0.054 nan 8.180 nan 0.000 0.535 479 V N 6.800 126.759 119.914 0.075 0.000 2.385 479 V HA 0.029 4.079 4.120 -0.117 0.000 0.269 479 V C 0.891 177.095 176.094 0.183 0.000 1.043 479 V CA -0.306 62.028 62.300 0.057 0.000 0.906 479 V CB 0.330 32.141 31.823 -0.020 0.000 0.995 479 V HN 0.532 nan 8.190 nan 0.000 0.467 480 I N 4.565 125.199 120.570 0.107 0.000 2.731 480 I HA 0.153 4.253 4.170 -0.117 0.000 0.235 480 I C 2.117 178.237 176.117 0.005 0.000 1.064 480 I CA 1.538 62.877 61.300 0.065 0.000 1.439 480 I CB -1.198 36.816 38.000 0.022 0.000 1.255 480 I HN 0.634 nan 8.210 nan 0.000 0.446 481 K N -0.117 120.270 120.400 -0.021 0.000 2.412 481 K HA 0.197 4.447 4.320 -0.117 0.000 0.201 481 K C 0.454 177.019 176.600 -0.058 0.000 1.275 481 K CA 0.458 56.694 56.287 -0.086 0.000 0.910 481 K CB 0.063 32.543 32.500 -0.034 0.000 1.346 481 K HN 0.328 nan 8.250 nan 0.000 0.490 482 D N -0.617 119.798 120.400 0.025 0.000 2.671 482 D HA 0.545 5.114 4.640 -0.117 0.000 0.232 482 D C -1.385 174.926 176.300 0.018 0.000 1.114 482 D CA -0.514 53.528 54.000 0.070 0.000 0.858 482 D CB 1.901 42.768 40.800 0.111 0.000 1.544 482 D HN 0.177 nan 8.370 nan 0.000 0.471 483 M N 2.061 121.660 119.600 -0.002 0.000 2.183 483 M HA 0.243 4.653 4.480 -0.117 0.000 0.277 483 M C -2.078 174.159 176.300 -0.105 0.000 0.995 483 M CA -0.607 54.648 55.300 -0.076 0.000 0.969 483 M CB 1.694 34.212 32.600 -0.137 0.000 1.659 483 M HN 0.050 nan 8.290 nan 0.000 0.462 484 V N 6.258 126.088 119.914 -0.141 0.000 2.509 484 V HA 0.582 4.631 4.120 -0.117 0.000 0.284 484 V C -0.273 175.600 176.094 -0.367 0.000 1.047 484 V CA -0.464 61.712 62.300 -0.208 0.000 0.952 484 V CB 1.173 32.891 31.823 -0.175 0.000 0.988 484 V HN 0.819 nan 8.190 nan 0.000 0.469 485 L N 4.760 125.779 121.223 -0.341 0.000 2.370 485 L HA 0.664 4.934 4.340 -0.117 0.000 0.266 485 L C -0.957 175.884 176.870 -0.049 0.000 1.002 485 L CA -0.363 54.301 54.840 -0.294 0.000 0.818 485 L CB 2.169 44.159 42.059 -0.114 0.000 1.325 485 L HN 0.460 nan 8.230 nan 0.000 0.418 486 F N 1.630 121.708 119.950 0.214 0.000 2.522 486 F HA 0.593 5.052 4.527 -0.114 0.000 0.324 486 F C -2.126 173.712 175.800 0.064 0.000 1.077 486 F CA -2.287 55.831 58.000 0.196 0.000 0.944 486 F CB 2.061 41.082 39.000 0.035 0.000 1.175 486 F HN 0.219 nan 8.300 nan 0.000 0.468 487 P HA 0.462 nan 4.420 nan 0.000 0.285 487 P C 0.076 177.265 177.300 -0.185 0.000 1.269 487 P CA 0.041 62.780 63.100 -0.602 0.000 0.844 487 P CB 1.718 32.927 31.700 -0.818 0.000 1.094 488 G N 1.347 110.045 108.800 -0.169 0.000 2.584 488 G HA2 -0.178 3.711 3.960 -0.117 0.000 0.229 488 G HA3 -0.178 3.711 3.960 -0.117 0.000 0.229 488 G C -0.736 174.170 174.900 0.009 0.000 1.320 488 G CA -0.326 44.740 45.100 -0.057 0.000 0.891 488 G HN 0.573 nan 8.290 nan 0.000 0.573 489 E N 0.456 120.681 120.200 0.042 0.000 2.374 489 E HA 0.584 4.864 4.350 -0.117 0.000 0.260 489 E C 1.039 177.686 176.600 0.078 0.000 1.101 489 E CA 0.409 56.879 56.400 0.116 0.000 0.907 489 E CB 0.745 30.537 29.700 0.154 0.000 1.014 489 E HN 1.246 nan 8.360 nan 0.000 0.427 490 A N 1.594 124.456 122.820 0.071 0.000 2.520 490 A HA 0.371 4.621 4.320 -0.117 0.000 0.235 490 A C 0.146 177.640 177.584 -0.151 0.000 1.065 490 A CA 0.350 52.298 52.037 -0.148 0.000 0.764 490 A CB -0.273 18.448 19.000 -0.464 0.000 1.002 490 A HN 0.595 nan 8.150 nan 0.000 0.502 491 T N 0.085 114.473 114.554 -0.277 0.000 2.903 491 T HA 0.638 4.918 4.350 -0.117 0.000 0.299 491 T C -0.284 174.103 174.700 -0.522 0.000 1.093 491 T CA -0.853 61.067 62.100 -0.300 0.000 1.002 491 T CB 0.739 69.469 68.868 -0.230 0.000 1.127 491 T HN 0.493 nan 8.240 nan 0.000 0.488 492 L N 2.276 123.114 121.223 -0.643 0.000 2.453 492 L HA 0.335 4.605 4.340 -0.117 0.000 0.261 492 L C -1.065 175.422 176.870 -0.639 0.000 1.179 492 L CA -2.376 51.974 54.840 -0.817 0.000 0.813 492 L CB 0.786 42.141 42.059 -1.174 0.000 1.110 492 L HN 0.517 nan 8.230 nan 0.000 0.466 493 P HA -0.158 nan 4.420 nan 0.000 0.223 493 P C 1.059 178.280 177.300 -0.131 0.000 1.151 493 P CA 1.282 64.274 63.100 -0.181 0.000 0.787 493 P CB 0.016 31.718 31.700 0.003 0.000 0.788 494 F N -0.924 119.009 119.950 -0.028 0.000 2.789 494 F HA 0.269 4.726 4.527 -0.117 0.000 0.300 494 F C 0.346 176.122 175.800 -0.041 0.000 1.132 494 F CA -1.387 56.599 58.000 -0.023 0.000 1.404 494 F CB -2.052 36.947 39.000 -0.002 0.000 1.114 494 F HN -0.265 nan 8.300 nan 0.000 0.584 495 N N 2.647 121.136 118.700 -0.352 0.000 2.412 495 N HA -0.074 4.596 4.740 -0.117 0.000 0.254 495 N C -0.100 175.367 175.510 -0.072 0.000 1.232 495 N CA -0.015 52.938 53.050 -0.162 0.000 0.880 495 N CB 0.369 38.704 38.487 -0.254 0.000 1.076 495 N HN 0.393 nan 8.380 nan 0.000 0.458 496 E N 2.302 122.491 120.200 -0.018 0.000 2.351 496 E HA 0.134 4.414 4.350 -0.117 0.000 0.266 496 E C -0.668 175.897 176.600 -0.059 0.000 1.031 496 E CA -0.527 55.861 56.400 -0.020 0.000 0.911 496 E CB 0.382 30.081 29.700 -0.002 0.000 0.986 496 E HN 0.341 nan 8.360 nan 0.000 0.446 497 V N 1.377 121.246 119.914 -0.075 0.000 3.181 497 V HA 0.622 4.672 4.120 -0.117 0.000 0.308 497 V C -2.614 173.425 176.094 -0.091 0.000 1.214 497 V CA -2.274 59.962 62.300 -0.107 0.000 1.053 497 V CB 0.996 32.706 31.823 -0.188 0.000 1.069 497 V HN 0.610 nan 8.190 nan 0.000 0.441 498 P HA 0.334 nan 4.420 nan 0.000 0.267 498 P C 0.914 178.166 177.300 -0.080 0.000 1.200 498 P CA 0.574 63.633 63.100 -0.069 0.000 0.772 498 P CB 0.845 32.508 31.700 -0.061 0.000 0.855 499 A N 3.333 126.124 122.820 -0.049 0.000 1.903 499 A HA -0.234 4.016 4.320 -0.117 0.000 0.219 499 A C 2.021 179.578 177.584 -0.045 0.000 1.191 499 A CA 1.701 53.714 52.037 -0.040 0.000 0.638 499 A CB -1.426 17.563 19.000 -0.019 0.000 0.823 499 A HN 0.705 nan 8.150 nan 0.000 0.451 500 I N -0.294 120.252 120.570 -0.040 0.000 2.361 500 I HA -0.191 3.909 4.170 -0.117 0.000 0.251 500 I C 2.128 178.216 176.117 -0.049 0.000 1.133 500 I CA 1.300 62.584 61.300 -0.026 0.000 1.413 500 I CB -0.054 37.940 38.000 -0.011 0.000 1.073 500 I HN 0.201 nan 8.210 nan 0.000 0.424 501 V N 0.262 120.088 119.914 -0.146 0.000 2.295 501 V HA -0.265 3.785 4.120 -0.117 0.000 0.246 501 V C 2.536 178.453 176.094 -0.294 0.000 1.049 501 V CA 2.132 64.203 62.300 -0.382 0.000 1.024 501 V CB -0.597 30.872 31.823 -0.590 0.000 0.648 501 V HN 0.398 nan 8.190 nan 0.000 0.447 502 S N -0.522 115.071 115.700 -0.179 0.000 2.370 502 S HA -0.243 4.157 4.470 -0.117 0.000 0.226 502 S C 1.940 176.526 174.600 -0.023 0.000 1.033 502 S CA 1.759 59.902 58.200 -0.096 0.000 1.011 502 S CB -0.272 62.891 63.200 -0.061 0.000 0.852 502 S HN 0.693 nan 8.310 nan 0.000 0.457 503 E N 0.622 120.816 120.200 -0.010 0.000 2.077 503 E HA -0.132 4.147 4.350 -0.117 0.000 0.193 503 E C 2.397 179.034 176.600 0.063 0.000 0.989 503 E CA 0.879 57.294 56.400 0.024 0.000 0.800 503 E CB -0.050 29.662 29.700 0.019 0.000 0.746 503 E HN 0.305 nan 8.360 nan 0.000 0.452 504 Q N 0.233 120.095 119.800 0.104 0.000 2.167 504 Q HA -0.125 4.144 4.340 -0.117 0.000 0.202 504 Q C 2.091 178.230 176.000 0.231 0.000 0.970 504 Q CA 1.003 56.921 55.803 0.192 0.000 0.855 504 Q CB -0.201 28.733 28.738 0.328 0.000 0.911 504 Q HN 0.213 nan 8.270 nan 0.000 0.438 505 R N 0.307 120.958 120.500 0.251 0.000 2.075 505 R HA -0.129 4.141 4.340 -0.117 0.000 0.232 505 R C 2.013 178.374 176.300 0.101 0.000 1.126 505 R CA 1.077 57.300 56.100 0.205 0.000 0.963 505 R CB 0.219 30.603 30.300 0.139 0.000 0.858 505 R HN 0.169 nan 8.270 nan 0.000 0.435 506 Q N 0.710 120.555 119.800 0.075 0.000 2.124 506 Q HA -0.141 4.129 4.340 -0.117 0.000 0.202 506 Q C 1.899 177.936 176.000 0.062 0.000 0.977 506 Q CA 1.379 57.219 55.803 0.062 0.000 0.850 506 Q CB -0.086 28.683 28.738 0.052 0.000 0.901 506 Q HN 0.398 nan 8.270 nan 0.000 0.429 507 K N 0.785 121.223 120.400 0.064 0.000 2.057 507 K HA -0.184 4.065 4.320 -0.117 0.000 0.207 507 K C 2.041 178.673 176.600 0.053 0.000 1.049 507 K CA 1.125 57.445 56.287 0.056 0.000 0.931 507 K CB -0.083 32.449 32.500 0.054 0.000 0.714 507 K HN 0.312 nan 8.250 nan 0.000 0.440 508 E N 1.347 121.579 120.200 0.053 0.000 2.058 508 E HA -0.197 4.083 4.350 -0.117 0.000 0.194 508 E C 2.074 178.704 176.600 0.050 0.000 0.997 508 E CA 1.005 57.425 56.400 0.033 0.000 0.801 508 E CB -0.012 29.684 29.700 -0.005 0.000 0.746 508 E HN 0.221 nan 8.360 nan 0.000 0.450 509 L N 0.536 121.791 121.223 0.052 0.000 2.093 509 L HA -0.170 4.099 4.340 -0.117 0.000 0.208 509 L C 2.478 179.398 176.870 0.085 0.000 1.085 509 L CA 1.279 56.159 54.840 0.067 0.000 0.755 509 L CB -0.335 41.763 42.059 0.066 0.000 0.904 509 L HN 0.188 nan 8.230 nan 0.000 0.435 510 E N -0.226 120.018 120.200 0.074 0.000 2.085 510 E HA -0.280 4.000 4.350 -0.117 0.000 0.194 510 E C 2.249 178.893 176.600 0.073 0.000 0.994 510 E CA 1.274 57.717 56.400 0.072 0.000 0.801 510 E CB -0.067 29.668 29.700 0.058 0.000 0.743 510 E HN 0.515 nan 8.360 nan 0.000 0.453 511 Q N 0.133 119.974 119.800 0.069 0.000 2.084 511 Q HA -0.130 4.139 4.340 -0.117 0.000 0.202 511 Q C 2.225 178.289 176.000 0.106 0.000 0.978 511 Q CA 0.981 56.824 55.803 0.067 0.000 0.844 511 Q CB 0.032 28.804 28.738 0.057 0.000 0.898 511 Q HN 0.087 nan 8.270 nan 0.000 0.426 512 R N 0.863 121.459 120.500 0.159 0.000 2.105 512 R HA -0.109 4.160 4.340 -0.117 0.000 0.239 512 R C 1.872 178.332 176.300 0.267 0.000 1.135 512 R CA 1.273 57.550 56.100 0.294 0.000 0.967 512 R CB -0.226 30.224 30.300 0.251 0.000 0.861 512 R HN 0.269 nan 8.270 nan 0.000 0.442 513 K N 0.387 120.884 120.400 0.162 0.000 2.288 513 K HA 0.023 4.273 4.320 -0.117 0.000 0.201 513 K C 2.142 178.795 176.600 0.089 0.000 1.048 513 K CA 0.577 56.943 56.287 0.132 0.000 0.956 513 K CB 0.020 32.594 32.500 0.123 0.000 0.746 513 K HN 0.113 nan 8.250 nan 0.000 0.461 514 L N 0.115 121.377 121.223 0.065 0.000 2.131 514 L HA -0.112 4.157 4.340 -0.117 0.000 0.206 514 L C 2.162 179.007 176.870 -0.041 0.000 1.087 514 L CA 1.113 55.963 54.840 0.017 0.000 0.767 514 L CB -0.385 41.680 42.059 0.009 0.000 0.917 514 L HN 0.129 nan 8.230 nan 0.000 0.441 515 T N -1.857 112.658 114.554 -0.065 0.000 2.896 515 T HA -0.076 4.203 4.350 -0.117 0.000 0.263 515 T C -0.052 174.386 174.700 -0.435 0.000 1.050 515 T CA 0.918 62.853 62.100 -0.276 0.000 1.140 515 T CB -0.130 68.529 68.868 -0.349 0.000 0.877 515 T HN 0.042 nan 8.240 nan 0.000 0.457 516 Y N 2.079 122.326 120.300 -0.089 0.000 2.417 516 Y HA 0.488 4.981 4.550 -0.095 0.000 0.336 516 Y C 0.319 176.107 175.900 -0.187 0.000 0.961 516 Y CA -0.936 57.079 58.100 -0.142 0.000 1.215 516 Y CB 0.605 39.011 38.460 -0.089 0.000 1.120 516 Y HN 0.045 nan 8.280 nan 0.000 0.499 517 Q N 2.048 121.780 119.800 -0.113 0.000 2.377 517 Q HA 0.310 4.580 4.340 -0.117 0.000 0.271 517 Q C -1.202 174.695 176.000 -0.172 0.000 1.077 517 Q CA -1.074 54.664 55.803 -0.109 0.000 0.820 517 Q CB 2.357 31.075 28.738 -0.033 0.000 1.347 517 Q HN 0.632 nan 8.270 nan 0.000 0.444 518 W N 1.153 122.419 121.300 -0.056 0.000 2.150 518 W HA 0.238 4.832 4.660 -0.110 0.000 0.341 518 W C 0.316 176.650 176.519 -0.309 0.000 1.276 518 W CA 0.628 57.846 57.345 -0.212 0.000 1.238 518 W CB 0.712 30.068 29.460 -0.173 0.000 1.128 518 W HN 0.491 nan 8.180 nan 0.000 0.581 519 D N 0.060 120.298 120.400 -0.271 0.000 2.599 519 D HA 0.410 4.980 4.640 -0.117 0.000 0.252 519 D C -1.875 174.050 176.300 -0.625 0.000 1.232 519 D CA -0.923 52.893 54.000 -0.307 0.000 0.819 519 D CB 1.454 42.193 40.800 -0.102 0.000 1.401 519 D HN 0.222 nan 8.370 nan 0.000 0.429 520 Y N 0.066 120.417 120.300 0.084 0.000 2.470 520 Y HA 0.286 4.768 4.550 -0.113 0.000 0.341 520 Y C 0.990 176.906 175.900 0.027 0.000 1.021 520 Y CA -0.904 57.225 58.100 0.048 0.000 1.025 520 Y CB 2.061 40.532 38.460 0.019 0.000 1.266 520 Y HN 0.087 nan 8.280 nan 0.000 0.448 521 V N 0.888 120.888 119.914 0.143 0.000 2.488 521 V HA -0.063 3.986 4.120 -0.117 0.000 0.246 521 V C 0.659 176.805 176.094 0.086 0.000 1.046 521 V CA 1.833 64.185 62.300 0.086 0.000 1.053 521 V CB 0.025 31.881 31.823 0.056 0.000 0.679 521 V HN 0.834 nan 8.190 nan 0.000 0.458 522 S N -2.507 113.255 115.700 0.103 0.000 2.703 522 S HA 0.260 4.659 4.470 -0.117 0.000 0.273 522 S C -0.129 174.507 174.600 0.060 0.000 1.178 522 S CA -0.347 57.896 58.200 0.072 0.000 0.838 522 S CB 1.142 64.370 63.200 0.047 0.000 1.178 522 S HN 0.037 nan 8.310 nan 0.000 0.494 523 D N 0.700 121.112 120.400 0.021 0.000 2.310 523 D HA 0.087 4.657 4.640 -0.117 0.000 0.212 523 D C 0.016 176.359 176.300 0.072 0.000 0.965 523 D CA 0.988 54.970 54.000 -0.029 0.000 0.879 523 D CB -0.156 40.626 40.800 -0.031 0.000 0.921 523 D HN 0.529 nan 8.370 nan 0.000 0.510 524 D N -0.304 120.193 120.400 0.162 0.000 2.525 524 D HA 0.086 4.656 4.640 -0.117 0.000 0.229 524 D C 0.348 176.835 176.300 0.310 0.000 1.202 524 D CA -0.025 54.184 54.000 0.349 0.000 0.828 524 D CB 0.547 41.492 40.800 0.242 0.000 1.008 524 D HN 0.070 nan 8.370 nan 0.000 0.493 525 M N 1.091 120.761 119.600 0.117 0.000 2.591 525 M HA 0.361 4.771 4.480 -0.117 0.000 0.306 525 M C -2.540 173.548 176.300 -0.354 0.000 1.190 525 M CA -2.473 52.701 55.300 -0.210 0.000 0.889 525 M CB 2.223 34.752 32.600 -0.118 0.000 1.728 525 M HN -0.320 nan 8.290 nan 0.000 0.458 526 P HA 0.110 nan 4.420 nan 0.000 0.267 526 P C 0.106 177.406 177.300 0.002 0.000 1.200 526 P CA -0.040 62.768 63.100 -0.487 0.000 0.772 526 P CB 0.211 31.497 31.700 -0.690 0.000 0.855 527 G N 2.415 111.347 108.800 0.221 0.000 2.491 527 G HA2 0.225 4.115 3.960 -0.117 0.000 0.242 527 G HA3 0.225 4.115 3.960 -0.117 0.000 0.242 527 G C 0.053 175.108 174.900 0.259 0.000 1.266 527 G CA -0.580 44.637 45.100 0.195 0.000 0.844 527 G HN 0.774 nan 8.290 nan 0.000 0.571 528 N N 0.603 119.343 118.700 0.066 0.000 2.469 528 N HA 0.346 5.016 4.740 -0.117 0.000 0.286 528 N C -0.765 174.707 175.510 -0.064 0.000 1.275 528 N CA -0.981 52.087 53.050 0.029 0.000 0.790 528 N CB 2.193 40.694 38.487 0.023 0.000 1.446 528 N HN 0.421 nan 8.380 nan 0.000 0.501 529 I N 0.214 120.738 120.570 -0.076 0.000 2.588 529 I HA 0.022 4.121 4.170 -0.117 0.000 0.283 529 I C 0.600 176.652 176.117 -0.109 0.000 1.119 529 I CA -0.324 60.903 61.300 -0.122 0.000 1.419 529 I CB 0.467 38.414 38.000 -0.088 0.000 1.394 529 I HN 0.555 nan 8.210 nan 0.000 0.562 530 K N 7.011 127.339 120.400 -0.121 0.000 2.338 530 K HA 0.550 4.800 4.320 -0.117 0.000 0.290 530 K C -1.162 175.367 176.600 -0.118 0.000 1.069 530 K CA -0.113 56.115 56.287 -0.098 0.000 0.941 530 K CB 0.351 32.804 32.500 -0.078 0.000 1.023 530 K HN 0.704 nan 8.250 nan 0.000 0.477 531 A N 3.223 125.979 122.820 -0.106 0.000 2.530 531 A HA 0.443 4.692 4.320 -0.117 0.000 0.297 531 A C 0.083 177.607 177.584 -0.100 0.000 1.059 531 A CA -0.414 51.548 52.037 -0.124 0.000 0.782 531 A CB 1.063 19.968 19.000 -0.159 0.000 1.301 531 A HN 0.706 nan 8.150 nan 0.000 0.394 532 K N 0.617 120.962 120.400 -0.092 0.000 2.031 532 K HA 0.326 4.576 4.320 -0.117 0.000 0.205 532 K C 1.117 177.669 176.600 -0.080 0.000 1.049 532 K CA 2.479 58.721 56.287 -0.074 0.000 0.939 532 K CB -0.558 31.905 32.500 -0.062 0.000 0.717 532 K HN 2.047 nan 8.250 nan 0.000 0.438 533 T N -5.053 109.449 114.554 -0.086 0.000 2.864 533 T HA 0.296 4.576 4.350 -0.117 0.000 0.289 533 T C 0.760 175.410 174.700 -0.083 0.000 1.082 533 T CA -0.011 62.045 62.100 -0.073 0.000 1.009 533 T CB 1.221 70.061 68.868 -0.047 0.000 1.234 533 T HN 0.301 nan 8.240 nan 0.000 0.526 534 H N 0.527 119.500 119.070 -0.161 0.000 2.353 534 H HA -0.126 4.366 4.556 -0.108 0.000 0.298 534 H C 0.690 175.922 175.328 -0.160 0.000 1.103 534 H CA 2.416 58.349 56.048 -0.191 0.000 1.293 534 H CB -0.179 29.456 29.762 -0.211 0.000 1.372 534 H HN 0.629 nan 8.280 nan 0.000 0.501 535 D N 0.384 120.751 120.400 -0.057 0.000 2.371 535 D HA -0.069 4.500 4.640 -0.117 0.000 0.221 535 D C 1.331 177.521 176.300 -0.183 0.000 0.986 535 D CA 0.421 54.349 54.000 -0.119 0.000 0.899 535 D CB -0.263 40.525 40.800 -0.020 0.000 0.902 535 D HN 0.471 nan 8.370 nan 0.000 0.530 536 D N 0.062 120.354 120.400 -0.180 0.000 2.347 536 D HA -0.009 4.561 4.640 -0.117 0.000 0.215 536 D C 0.853 177.003 176.300 -0.249 0.000 0.976 536 D CA 0.129 54.016 54.000 -0.188 0.000 0.884 536 D CB 0.398 41.107 40.800 -0.152 0.000 0.915 536 D HN 0.254 nan 8.370 nan 0.000 0.526 537 L N 1.751 122.783 121.223 -0.319 0.000 2.426 537 L HA 0.160 4.430 4.340 -0.117 0.000 0.271 537 L C -1.989 174.664 176.870 -0.361 0.000 1.169 537 L CA -1.675 52.950 54.840 -0.359 0.000 0.836 537 L CB 0.018 41.820 42.059 -0.428 0.000 1.112 537 L HN -0.282 nan 8.230 nan 0.000 0.465 538 P HA -0.016 nan 4.420 nan 0.000 0.265 538 P C 0.157 177.286 177.300 -0.285 0.000 1.187 538 P CA 0.037 62.919 63.100 -0.364 0.000 0.766 538 P CB 0.489 31.881 31.700 -0.514 0.000 0.820 539 R N 2.490 122.837 120.500 -0.255 0.000 2.120 539 R HA -0.169 4.101 4.340 -0.117 0.000 0.234 539 R C 1.162 177.426 176.300 -0.060 0.000 1.123 539 R CA 1.522 57.434 56.100 -0.313 0.000 0.975 539 R CB -0.350 29.587 30.300 -0.605 0.000 0.866 539 R HN 0.449 nan 8.270 nan 0.000 0.446 540 D N -0.288 120.180 120.400 0.113 0.000 2.228 540 D HA -0.141 4.429 4.640 -0.117 0.000 0.203 540 D C 1.487 177.888 176.300 0.170 0.000 0.988 540 D CA 1.617 55.798 54.000 0.300 0.000 0.864 540 D CB 0.196 41.048 40.800 0.086 0.000 0.928 540 D HN 0.334 nan 8.370 nan 0.000 0.469 541 V N -2.483 117.396 119.914 -0.059 0.000 3.427 541 V HA 0.217 4.267 4.120 -0.117 0.000 0.305 541 V C 0.580 176.625 176.094 -0.083 0.000 1.412 541 V CA -0.424 61.841 62.300 -0.058 0.000 1.086 541 V CB -0.162 31.552 31.823 -0.181 0.000 0.964 541 V HN -0.119 nan 8.190 nan 0.000 0.439 542 Q N 0.656 120.405 119.800 -0.084 0.000 2.421 542 Q HA 0.309 4.579 4.340 -0.117 0.000 0.255 542 Q C -0.392 175.786 176.000 0.297 0.000 1.013 542 Q CA -0.571 55.186 55.803 -0.077 0.000 0.895 542 Q CB 0.654 29.290 28.738 -0.170 0.000 1.271 542 Q HN 0.463 nan 8.270 nan 0.000 0.460 543 F N 1.314 121.471 119.950 0.345 0.000 2.628 543 F HA -0.080 4.378 4.527 -0.116 0.000 0.362 543 F C 1.267 177.234 175.800 0.279 0.000 1.148 543 F CA -0.161 57.977 58.000 0.230 0.000 1.352 543 F CB -0.056 39.021 39.000 0.128 0.000 1.081 543 F HN 0.504 nan 8.300 nan 0.000 0.605 544 T N -0.464 114.374 114.554 0.473 0.000 2.795 544 T HA 0.023 4.303 4.350 -0.117 0.000 0.314 544 T C 0.933 175.781 174.700 0.247 0.000 1.069 544 T CA -0.353 61.944 62.100 0.329 0.000 1.071 544 T CB 0.461 69.457 68.868 0.214 0.000 0.988 544 T HN 0.500 nan 8.240 nan 0.000 0.543 545 D N 0.600 121.137 120.400 0.228 0.000 2.182 545 D HA -0.056 4.514 4.640 -0.117 0.000 0.201 545 D C 2.004 178.371 176.300 0.112 0.000 0.986 545 D CA 1.275 55.387 54.000 0.186 0.000 0.847 545 D CB -0.040 40.892 40.800 0.220 0.000 0.942 545 D HN 0.733 nan 8.370 nan 0.000 0.467 546 E N 0.484 120.730 120.200 0.078 0.000 2.051 546 E HA -0.142 4.138 4.350 -0.117 0.000 0.192 546 E C 1.842 178.439 176.600 -0.005 0.000 0.991 546 E CA 0.966 57.385 56.400 0.032 0.000 0.799 546 E CB 0.010 29.718 29.700 0.013 0.000 0.748 546 E HN 0.214 nan 8.360 nan 0.000 0.449 547 K N 0.095 120.457 120.400 -0.064 0.000 2.103 547 K HA 0.023 4.273 4.320 -0.117 0.000 0.204 547 K C 2.328 178.778 176.600 -0.249 0.000 1.052 547 K CA 1.100 57.206 56.287 -0.302 0.000 0.945 547 K CB -0.040 32.003 32.500 -0.762 0.000 0.722 547 K HN -0.035 nan 8.250 nan 0.000 0.443 548 S N 1.037 116.739 115.700 0.004 0.000 2.370 548 S HA -0.185 4.215 4.470 -0.117 0.000 0.226 548 S C 1.908 176.607 174.600 0.165 0.000 1.033 548 S CA 1.251 59.578 58.200 0.210 0.000 1.011 548 S CB -0.200 63.113 63.200 0.189 0.000 0.852 548 S HN 0.318 nan 8.310 nan 0.000 0.457 549 R N 0.905 121.464 120.500 0.099 0.000 2.081 549 R HA -0.083 4.187 4.340 -0.117 0.000 0.235 549 R C 2.543 178.884 176.300 0.068 0.000 1.131 549 R CA 1.676 57.823 56.100 0.077 0.000 0.960 549 R CB -0.558 29.777 30.300 0.059 0.000 0.856 549 R HN 0.372 nan 8.270 nan 0.000 0.436 550 S N -0.441 115.292 115.700 0.055 0.000 2.356 550 S HA -0.220 4.180 4.470 -0.117 0.000 0.223 550 S C 1.802 176.452 174.600 0.085 0.000 1.032 550 S CA 1.367 59.601 58.200 0.055 0.000 1.005 550 S CB -0.489 62.732 63.200 0.034 0.000 0.867 550 S HN 0.574 nan 8.310 nan 0.000 0.449 551 Y N 1.939 122.244 120.300 0.009 0.000 2.114 551 Y HA -0.090 4.390 4.550 -0.117 0.000 0.284 551 Y C 2.566 178.512 175.900 0.078 0.000 1.143 551 Y CA 2.135 60.278 58.100 0.072 0.000 1.135 551 Y CB -0.668 37.908 38.460 0.192 0.000 0.980 551 Y HN 0.251 nan 8.280 nan 0.000 0.499 552 Q N 0.435 120.209 119.800 -0.044 0.000 2.124 552 Q HA -0.181 4.088 4.340 -0.117 0.000 0.202 552 Q C 2.035 177.970 176.000 -0.108 0.000 0.977 552 Q CA 1.657 57.381 55.803 -0.132 0.000 0.850 552 Q CB -0.352 28.397 28.738 0.018 0.000 0.901 552 Q HN 0.605 nan 8.270 nan 0.000 0.429 553 E N 0.506 120.688 120.200 -0.031 0.000 2.106 553 E HA -0.105 4.175 4.350 -0.117 0.000 0.192 553 E C 2.061 178.679 176.600 0.030 0.000 0.984 553 E CA 1.235 57.639 56.400 0.006 0.000 0.806 553 E CB -0.165 29.558 29.700 0.038 0.000 0.750 553 E HN 0.406 nan 8.360 nan 0.000 0.458 554 S N 0.971 116.677 115.700 0.009 0.000 2.382 554 S HA -0.112 4.288 4.470 -0.117 0.000 0.228 554 S C 1.898 176.561 174.600 0.106 0.000 1.027 554 S CA 0.587 58.855 58.200 0.112 0.000 0.991 554 S CB -0.056 63.111 63.200 -0.055 0.000 0.823 554 S HN 0.073 nan 8.310 nan 0.000 0.469 555 R N 1.758 122.190 120.500 -0.113 0.000 2.073 555 R HA 0.143 4.412 4.340 -0.117 0.000 0.229 555 R C 2.359 178.648 176.300 -0.019 0.000 1.120 555 R CA 1.274 57.313 56.100 -0.102 0.000 0.967 555 R CB -0.651 29.501 30.300 -0.246 0.000 0.862 555 R HN 0.573 nan 8.270 nan 0.000 0.436 556 K N 0.645 121.028 120.400 -0.029 0.000 2.026 556 K HA -0.039 4.211 4.320 -0.117 0.000 0.208 556 K C 2.183 178.772 176.600 -0.019 0.000 1.048 556 K CA 1.486 57.762 56.287 -0.019 0.000 0.929 556 K CB -0.209 32.280 32.500 -0.019 0.000 0.713 556 K HN 0.107 nan 8.250 nan 0.000 0.439 557 A N 1.700 124.527 122.820 0.013 0.000 1.933 557 A HA -0.109 4.141 4.320 -0.117 0.000 0.218 557 A C 2.416 179.905 177.584 -0.158 0.000 1.175 557 A CA 1.788 53.789 52.037 -0.060 0.000 0.628 557 A CB -0.692 18.322 19.000 0.023 0.000 0.814 557 A HN 0.338 nan 8.150 nan 0.000 0.444 558 A N -0.199 122.655 122.820 0.057 0.000 1.883 558 A HA -0.098 4.152 4.320 -0.117 0.000 0.217 558 A C 2.181 179.795 177.584 0.051 0.000 1.186 558 A CA 1.627 53.775 52.037 0.184 0.000 0.624 558 A CB -0.622 18.624 19.000 0.410 0.000 0.822 558 A HN 0.480 nan 8.150 nan 0.000 0.444 559 L N -0.723 120.507 121.223 0.013 0.000 2.093 559 L HA -0.132 4.137 4.340 -0.117 0.000 0.208 559 L C 2.522 179.349 176.870 -0.071 0.000 1.085 559 L CA 0.857 55.691 54.840 -0.010 0.000 0.755 559 L CB -0.448 41.603 42.059 -0.014 0.000 0.904 559 L HN 0.249 nan 8.230 nan 0.000 0.435 560 V N 0.105 119.947 119.914 -0.120 0.000 2.343 560 V HA -0.256 3.794 4.120 -0.117 0.000 0.247 560 V C 2.156 178.100 176.094 -0.249 0.000 1.051 560 V CA 1.793 63.998 62.300 -0.159 0.000 1.036 560 V CB -0.601 31.130 31.823 -0.154 0.000 0.654 560 V HN 0.489 nan 8.190 nan 0.000 0.451 561 N N -0.034 118.401 118.700 -0.442 0.000 2.216 561 N HA -0.015 4.655 4.740 -0.117 0.000 0.183 561 N C 1.783 177.066 175.510 -0.378 0.000 1.017 561 N CA 1.016 53.649 53.050 -0.695 0.000 0.861 561 N CB -0.332 37.139 38.487 -1.692 0.000 0.986 561 N HN 0.374 nan 8.380 nan 0.000 0.428 562 L N 0.315 121.452 121.223 -0.144 0.000 2.017 562 L HA -0.099 4.171 4.340 -0.117 0.000 0.208 562 L C 2.400 179.259 176.870 -0.018 0.000 1.073 562 L CA 1.482 56.356 54.840 0.058 0.000 0.745 562 L CB -0.860 41.269 42.059 0.117 0.000 0.894 562 L HN 0.214 nan 8.230 nan 0.000 0.432 563 G N 0.038 108.803 108.800 -0.059 0.000 2.421 563 G HA2 -0.217 3.673 3.960 -0.117 0.000 0.216 563 G HA3 -0.217 3.673 3.960 -0.117 0.000 0.216 563 G C 1.575 176.442 174.900 -0.055 0.000 1.171 563 G CA 0.727 45.794 45.100 -0.056 0.000 0.775 563 G HN 0.280 nan 8.290 nan 0.000 0.543 564 I N 1.133 121.654 120.570 -0.081 0.000 2.202 564 I HA -0.048 4.052 4.170 -0.117 0.000 0.242 564 I C 3.101 179.212 176.117 -0.010 0.000 1.091 564 I CA 0.956 62.219 61.300 -0.061 0.000 1.368 564 I CB -0.482 37.447 38.000 -0.119 0.000 1.058 564 I HN 0.247 nan 8.210 nan 0.000 0.410 565 G N -0.201 108.581 108.800 -0.030 0.000 2.440 565 G HA2 -0.314 3.576 3.960 -0.117 0.000 0.218 565 G HA3 -0.314 3.576 3.960 -0.117 0.000 0.218 565 G C 1.785 176.728 174.900 0.072 0.000 1.154 565 G CA 1.137 46.271 45.100 0.056 0.000 0.767 565 G HN 0.407 nan 8.290 nan 0.000 0.552 566 S N 0.013 115.716 115.700 0.006 0.000 2.356 566 S HA -0.022 4.378 4.470 -0.117 0.000 0.223 566 S C 2.459 177.002 174.600 -0.095 0.000 1.032 566 S CA 1.171 59.335 58.200 -0.061 0.000 1.005 566 S CB -0.301 62.853 63.200 -0.077 0.000 0.867 566 S HN 0.324 nan 8.310 nan 0.000 0.449 567 L N -0.247 120.944 121.223 -0.053 0.000 2.042 567 L HA -0.064 4.205 4.340 -0.117 0.000 0.210 567 L C 2.357 179.211 176.870 -0.026 0.000 1.076 567 L CA 1.894 56.699 54.840 -0.058 0.000 0.749 567 L CB -0.554 41.502 42.059 -0.006 0.000 0.893 567 L HN 0.407 nan 8.230 nan 0.000 0.432 568 F N 0.655 120.560 119.950 -0.074 0.000 2.146 568 F HA -0.205 4.252 4.527 -0.117 0.000 0.298 568 F C 2.512 178.291 175.800 -0.035 0.000 1.096 568 F CA 1.738 59.716 58.000 -0.036 0.000 1.275 568 F CB -0.031 38.958 39.000 -0.018 0.000 1.008 568 F HN 0.093 nan 8.300 nan 0.000 0.480 569 T N -2.413 112.177 114.554 0.060 0.000 3.086 569 T HA 0.033 4.312 4.350 -0.117 0.000 0.250 569 T C 1.571 176.152 174.700 -0.198 0.000 1.074 569 T CA 0.379 62.478 62.100 -0.002 0.000 0.988 569 T CB -0.199 68.738 68.868 0.116 0.000 0.988 569 T HN 0.258 nan 8.240 nan 0.000 0.530 570 M N 1.822 121.209 119.600 -0.355 0.000 2.103 570 M HA 0.005 4.415 4.480 -0.117 0.000 0.255 570 M C 0.433 176.272 176.300 -0.767 0.000 1.074 570 M CA 1.681 56.562 55.300 -0.699 0.000 1.090 570 M CB -0.786 31.142 32.600 -1.120 0.000 1.325 570 M HN 0.403 nan 8.290 nan 0.000 0.403 571 F N -0.128 119.758 119.950 -0.106 0.000 2.850 571 F HA 0.351 4.808 4.527 -0.117 0.000 0.306 571 F C 0.069 175.825 175.800 -0.074 0.000 1.162 571 F CA -0.720 57.224 58.000 -0.092 0.000 1.327 571 F CB -0.272 38.679 39.000 -0.082 0.000 0.953 571 F HN 0.022 nan 8.300 nan 0.000 0.507 572 E N 1.095 121.302 120.200 0.012 0.000 2.283 572 E HA 0.117 4.396 4.350 -0.117 0.000 0.278 572 E C -0.381 176.249 176.600 0.050 0.000 1.027 572 E CA -0.647 55.805 56.400 0.086 0.000 0.843 572 E CB 0.856 30.687 29.700 0.219 0.000 1.062 572 E HN 0.043 nan 8.360 nan 0.000 0.401 573 N N 2.744 121.523 118.700 0.132 0.000 2.422 573 N HA 0.088 4.758 4.740 -0.117 0.000 0.266 573 N C -1.609 174.085 175.510 0.306 0.000 1.007 573 N CA -0.510 52.611 53.050 0.117 0.000 0.941 573 N CB 0.475 39.007 38.487 0.076 0.000 1.115 573 N HN 0.301 nan 8.380 nan 0.000 0.492 574 W N 2.512 123.755 121.300 -0.096 0.000 2.345 574 W HA 0.232 4.822 4.660 -0.117 0.000 0.308 574 W C 0.639 177.103 176.519 -0.091 0.000 1.273 574 W CA -0.723 56.548 57.345 -0.123 0.000 1.243 574 W CB 0.781 30.107 29.460 -0.223 0.000 1.260 574 W HN 0.592 nan 8.180 nan 0.000 0.509 575 D N 0.347 120.783 120.400 0.061 0.000 2.500 575 D HA 0.059 4.628 4.640 -0.117 0.000 0.217 575 D C 0.100 176.361 176.300 -0.066 0.000 1.159 575 D CA 0.063 54.066 54.000 0.004 0.000 0.828 575 D CB 0.056 40.862 40.800 0.010 0.000 1.039 575 D HN 0.102 nan 8.370 nan 0.000 0.512 576 S N -1.422 114.214 115.700 -0.108 0.000 2.618 576 S HA 0.385 4.785 4.470 -0.117 0.000 0.277 576 S C 0.465 175.033 174.600 -0.054 0.000 1.138 576 S CA -0.760 57.365 58.200 -0.124 0.000 0.844 576 S CB 0.582 63.759 63.200 -0.040 0.000 1.127 576 S HN -0.044 nan 8.310 nan 0.000 0.474 577 Y N 0.546 120.964 120.300 0.196 0.000 2.165 577 Y HA -0.143 4.337 4.550 -0.117 0.000 0.286 577 Y C 1.909 177.982 175.900 0.288 0.000 1.155 577 Y CA 1.369 59.627 58.100 0.263 0.000 1.164 577 Y CB -0.192 38.535 38.460 0.444 0.000 0.978 577 Y HN 0.606 nan 8.280 nan 0.000 0.513 578 D N -0.138 120.509 120.400 0.411 0.000 2.310 578 D HA -0.127 4.443 4.640 -0.117 0.000 0.212 578 D C 1.341 177.716 176.300 0.126 0.000 0.965 578 D CA 0.830 55.079 54.000 0.415 0.000 0.879 578 D CB -0.357 40.623 40.800 0.300 0.000 0.921 578 D HN 0.382 nan 8.370 nan 0.000 0.510 579 D N -0.277 119.973 120.400 -0.251 0.000 2.182 579 D HA -0.168 4.402 4.640 -0.117 0.000 0.201 579 D C 1.587 177.208 176.300 -1.131 0.000 0.986 579 D CA 0.701 54.174 54.000 -0.878 0.000 0.847 579 D CB -0.320 39.475 40.800 -1.674 0.000 0.942 579 D HN 0.394 nan 8.370 nan 0.000 0.467 580 Y N 0.374 120.235 120.300 -0.732 0.000 2.497 580 Y HA -0.115 4.365 4.550 -0.117 0.000 0.292 580 Y C 2.359 178.193 175.900 -0.110 0.000 1.137 580 Y CA 0.768 58.618 58.100 -0.417 0.000 1.285 580 Y CB -0.190 38.001 38.460 -0.448 0.000 0.991 580 Y HN 0.237 nan 8.280 nan 0.000 0.556 581 H N -0.942 118.211 119.070 0.137 0.000 2.456 581 H HA -0.151 4.335 4.556 -0.117 0.000 0.296 581 H C 2.282 177.272 175.328 -0.563 0.000 1.079 581 H CA 1.573 57.509 56.048 -0.188 0.000 1.322 581 H CB -0.194 29.461 29.762 -0.179 0.000 1.388 581 H HN 0.402 nan 8.280 nan 0.000 0.538 582 I N 0.984 121.466 120.570 -0.147 0.000 2.454 582 I HA -0.223 3.876 4.170 -0.117 0.000 0.254 582 I C 1.989 178.069 176.117 -0.061 0.000 1.156 582 I CA 0.803 62.044 61.300 -0.098 0.000 1.433 582 I CB -0.099 37.939 38.000 0.064 0.000 1.082 582 I HN 0.094 nan 8.210 nan 0.000 0.432 583 L N -0.402 120.826 121.223 0.008 0.000 2.291 583 L HA -0.136 4.133 4.340 -0.117 0.000 0.214 583 L C 1.875 178.885 176.870 0.233 0.000 1.120 583 L CA 0.761 55.704 54.840 0.172 0.000 0.799 583 L CB -0.681 41.518 42.059 0.234 0.000 0.925 583 L HN 0.462 nan 8.230 nan 0.000 0.446 584 Y N -2.542 117.902 120.300 0.239 0.000 2.449 584 Y HA 0.238 4.718 4.550 -0.117 0.000 0.254 584 Y C 2.307 178.396 175.900 0.316 0.000 1.140 584 Y CA -0.587 57.655 58.100 0.237 0.000 1.272 584 Y CB -0.659 37.882 38.460 0.136 0.000 1.114 584 Y HN -0.123 nan 8.280 nan 0.000 0.525 585 R N 1.852 122.451 120.500 0.165 0.000 2.096 585 R HA -0.127 4.143 4.340 -0.117 0.000 0.235 585 R C 1.006 177.371 176.300 0.109 0.000 1.127 585 R CA 1.575 57.745 56.100 0.116 0.000 0.968 585 R CB -0.141 30.114 30.300 -0.075 0.000 0.861 585 R HN 0.553 nan 8.270 nan 0.000 0.440 586 N N -0.910 117.834 118.700 0.072 0.000 2.295 586 N HA -0.049 4.621 4.740 -0.117 0.000 0.221 586 N C -1.117 174.228 175.510 -0.275 0.000 1.129 586 N CA -0.005 52.963 53.050 -0.137 0.000 0.836 586 N CB -0.015 38.309 38.487 -0.272 0.000 1.040 586 N HN 0.069 nan 8.380 nan 0.000 0.494 587 W N 0.346 121.630 121.300 -0.027 0.000 2.606 587 W HA 0.527 5.116 4.660 -0.119 0.000 0.332 587 W C 0.127 176.638 176.519 -0.014 0.000 1.052 587 W CA -0.917 56.377 57.345 -0.084 0.000 1.223 587 W CB 1.089 30.519 29.460 -0.050 0.000 1.383 587 W HN -0.195 nan 8.180 nan 0.000 0.524 588 I N 4.885 125.558 120.570 0.171 0.000 2.329 588 I HA 0.059 4.159 4.170 -0.117 0.000 0.295 588 I C 0.378 176.711 176.117 0.361 0.000 1.109 588 I CA 0.250 61.688 61.300 0.230 0.000 1.297 588 I CB -0.366 37.765 38.000 0.218 0.000 1.433 588 I HN 0.580 nan 8.210 nan 0.000 0.509 589 L N 4.314 125.709 121.223 0.286 0.000 2.858 589 L HA 0.302 4.571 4.340 -0.117 0.000 0.251 589 L C 1.340 178.323 176.870 0.188 0.000 1.149 589 L CA 0.085 55.084 54.840 0.265 0.000 0.955 589 L CB 0.419 42.602 42.059 0.205 0.000 1.289 589 L HN 0.844 nan 8.230 nan 0.000 0.542 590 G N 0.589 109.488 108.800 0.165 0.000 2.149 590 G HA2 -0.016 3.874 3.960 -0.117 0.000 0.235 590 G HA3 -0.016 3.874 3.960 -0.117 0.000 0.235 590 G C 0.428 175.382 174.900 0.089 0.000 1.018 590 G CA 0.030 45.206 45.100 0.126 0.000 0.728 590 G HN 0.805 nan 8.290 nan 0.000 0.508 591 G N -2.069 106.779 108.800 0.080 0.000 2.379 591 G HA2 0.479 4.369 3.960 -0.117 0.000 0.609 591 G HA3 0.479 4.369 3.960 -0.117 0.000 0.609 591 G C -0.269 174.633 174.900 0.002 0.000 1.484 591 G CA 0.140 45.265 45.100 0.041 0.000 0.921 591 G HN 1.254 nan 8.290 nan 0.000 0.658 592 T N 3.674 118.213 114.554 -0.024 0.000 2.905 592 T HA 0.327 4.607 4.350 -0.117 0.000 0.299 592 T C -1.848 172.727 174.700 -0.207 0.000 1.024 592 T CA 0.435 62.444 62.100 -0.152 0.000 1.151 592 T CB 0.513 69.349 68.868 -0.054 0.000 0.987 592 T HN 0.437 nan 8.240 nan 0.000 0.535 593 P HA -0.031 nan 4.420 nan 0.000 0.259 593 P C 0.878 178.105 177.300 -0.120 0.000 1.163 593 P CA 0.181 63.159 63.100 -0.203 0.000 0.760 593 P CB 0.167 31.710 31.700 -0.262 0.000 0.762 594 N N 3.093 121.761 118.700 -0.054 0.000 2.550 594 N HA -0.079 4.591 4.740 -0.117 0.000 0.186 594 N C 0.731 176.172 175.510 -0.115 0.000 1.110 594 N CA 0.329 53.332 53.050 -0.078 0.000 0.912 594 N CB -0.159 38.298 38.487 -0.051 0.000 0.968 594 N HN 0.291 nan 8.380 nan 0.000 0.448 595 M N 0.198 119.770 119.600 -0.046 0.000 2.441 595 M HA 0.227 4.637 4.480 -0.117 0.000 0.244 595 M C 2.125 178.488 176.300 0.105 0.000 1.122 595 M CA 0.010 55.313 55.300 0.005 0.000 1.041 595 M CB -0.372 32.280 32.600 0.087 0.000 1.438 595 M HN 0.257 nan 8.290 nan 0.000 0.484 596 A N 1.809 124.646 122.820 0.027 0.000 1.948 596 A HA -0.206 4.044 4.320 -0.117 0.000 0.220 596 A C 1.675 179.316 177.584 0.095 0.000 1.177 596 A CA 2.296 54.310 52.037 -0.038 0.000 0.636 596 A CB -0.727 18.259 19.000 -0.024 0.000 0.815 596 A HN 0.591 nan 8.150 nan 0.000 0.449 597 D N -0.869 119.562 120.400 0.053 0.000 2.348 597 D HA -0.086 4.483 4.640 -0.117 0.000 0.211 597 D C 1.322 177.684 176.300 0.103 0.000 0.998 597 D CA 0.942 54.974 54.000 0.054 0.000 0.873 597 D CB -0.272 40.497 40.800 -0.051 0.000 0.925 597 D HN 0.715 nan 8.370 nan 0.000 0.524 598 R N -0.270 120.276 120.500 0.077 0.000 2.519 598 R HA 0.124 4.394 4.340 -0.117 0.000 0.375 598 R C 1.480 177.782 176.300 0.003 0.000 0.926 598 R CA -0.497 55.544 56.100 -0.099 0.000 1.166 598 R CB -1.251 28.738 30.300 -0.519 0.000 1.626 598 R HN 0.144 nan 8.270 nan 0.000 0.529 599 W N 2.891 124.288 121.300 0.163 0.000 2.341 599 W HA -0.211 4.379 4.660 -0.117 0.000 0.283 599 W C 0.852 177.512 176.519 0.235 0.000 1.215 599 W CA 1.679 59.164 57.345 0.233 0.000 1.211 599 W CB -0.962 28.698 29.460 0.333 0.000 1.131 599 W HN 0.291 nan 8.180 nan 0.000 0.552 600 H N 0.168 118.647 119.070 -0.984 0.000 2.551 600 H HA 0.274 4.760 4.556 -0.117 0.000 0.266 600 H C -0.406 174.667 175.328 -0.426 0.000 0.964 600 H CA 0.327 55.670 56.048 -1.175 0.000 1.180 600 H CB -0.685 28.110 29.762 -1.611 0.000 1.408 600 H HN 0.188 nan 8.280 nan 0.000 0.563 601 E N 1.835 121.674 120.200 -0.601 0.000 2.229 601 E HA 0.018 4.298 4.350 -0.117 0.000 0.283 601 E C 0.056 176.652 176.600 -0.006 0.000 1.030 601 E CA -0.489 55.738 56.400 -0.288 0.000 0.836 601 E CB 1.275 30.876 29.700 -0.166 0.000 1.068 601 E HN 0.147 nan 8.360 nan 0.000 0.401 602 D N 2.247 122.666 120.400 0.033 0.000 2.149 602 D HA -0.201 4.368 4.640 -0.117 0.000 0.198 602 D C 1.733 178.150 176.300 0.195 0.000 0.990 602 D CA 1.115 55.217 54.000 0.170 0.000 0.839 602 D CB 0.033 40.951 40.800 0.196 0.000 0.948 602 D HN 0.395 nan 8.370 nan 0.000 0.460 603 R N -0.412 120.098 120.500 0.016 0.000 2.105 603 R HA -0.153 4.117 4.340 -0.117 0.000 0.239 603 R C 1.867 178.038 176.300 -0.215 0.000 1.135 603 R CA 1.153 57.149 56.100 -0.173 0.000 0.967 603 R CB -0.321 29.685 30.300 -0.490 0.000 0.861 603 R HN 0.292 nan 8.270 nan 0.000 0.442 604 W N -0.901 120.449 121.300 0.084 0.000 2.737 604 W HA 0.035 4.625 4.660 -0.117 0.000 0.262 604 W C 1.797 178.453 176.519 0.228 0.000 1.282 604 W CA -0.484 56.911 57.345 0.084 0.000 1.386 604 W CB -0.264 29.167 29.460 -0.047 0.000 1.099 604 W HN 0.020 nan 8.180 nan 0.000 0.621 605 F N 1.110 121.232 119.950 0.285 0.000 2.102 605 F HA -0.066 4.391 4.527 -0.117 0.000 0.298 605 F C 2.242 178.305 175.800 0.438 0.000 1.105 605 F CA 2.363 60.541 58.000 0.296 0.000 1.239 605 F CB -0.804 38.333 39.000 0.229 0.000 0.991 605 F HN -0.145 nan 8.300 nan 0.000 0.474 606 G N -1.497 107.629 108.800 0.544 0.000 2.402 606 G HA2 -0.338 3.552 3.960 -0.117 0.000 0.216 606 G HA3 -0.338 3.552 3.960 -0.117 0.000 0.216 606 G C 1.577 176.607 174.900 0.216 0.000 1.162 606 G CA 0.748 46.129 45.100 0.468 0.000 0.777 606 G HN 0.516 nan 8.290 nan 0.000 0.539 607 Y N 1.387 121.712 120.300 0.042 0.000 2.132 607 Y HA -0.286 4.194 4.550 -0.117 0.000 0.280 607 Y C 2.846 178.751 175.900 0.008 0.000 1.193 607 Y CA 2.486 60.575 58.100 -0.019 0.000 1.157 607 Y CB -0.055 38.428 38.460 0.039 0.000 0.966 607 Y HN 0.314 nan 8.280 nan 0.000 0.511 608 Q N -1.354 118.516 119.800 0.117 0.000 2.378 608 Q HA -0.080 4.189 4.340 -0.117 0.000 0.205 608 Q C 1.670 177.481 176.000 -0.316 0.000 0.954 608 Q CA 0.755 56.524 55.803 -0.057 0.000 0.901 608 Q CB -0.187 28.502 28.738 -0.082 0.000 0.981 608 Q HN 0.518 nan 8.270 nan 0.000 0.483 609 F N 0.003 119.766 119.950 -0.313 0.000 2.451 609 F HA -0.105 4.352 4.527 -0.117 0.000 0.299 609 F C 1.666 177.186 175.800 -0.468 0.000 1.101 609 F CA 0.867 58.624 58.000 -0.404 0.000 1.436 609 F CB 0.100 38.724 39.000 -0.627 0.000 1.074 609 F HN 0.049 nan 8.300 nan 0.000 0.553 610 L N -1.041 119.935 121.223 -0.412 0.000 2.221 610 L HA 0.045 4.315 4.340 -0.117 0.000 0.202 610 L C 1.103 177.850 176.870 -0.206 0.000 1.074 610 L CA 0.797 55.281 54.840 -0.594 0.000 0.795 610 L CB -0.209 41.351 42.059 -0.832 0.000 0.960 610 L HN 0.047 nan 8.230 nan 0.000 0.458 611 N N -0.418 118.135 118.700 -0.246 0.000 2.184 611 N HA 0.149 4.819 4.740 -0.117 0.000 0.234 611 N C 0.507 176.197 175.510 0.301 0.000 1.282 611 N CA 0.213 53.254 53.050 -0.015 0.000 0.877 611 N CB 1.595 39.955 38.487 -0.212 0.000 1.184 611 N HN 0.155 nan 8.380 nan 0.000 0.510 612 G N 0.187 109.054 108.800 0.112 0.000 2.574 612 G HA2 0.489 4.378 3.960 -0.117 0.000 0.248 612 G HA3 0.489 4.378 3.960 -0.117 0.000 0.248 612 G C 0.888 175.723 174.900 -0.107 0.000 1.422 612 G CA 0.266 45.436 45.100 0.117 0.000 1.051 612 G HN 0.074 nan 8.290 nan 0.000 0.560 613 A N -1.180 121.353 122.820 -0.477 0.000 2.066 613 A HA 0.086 4.336 4.320 -0.117 0.000 0.218 613 A C 1.453 178.708 177.584 -0.548 0.000 1.157 613 A CA 0.965 52.545 52.037 -0.762 0.000 0.670 613 A CB -0.249 17.821 19.000 -1.550 0.000 0.804 613 A HN 0.540 nan 8.150 nan 0.000 0.453 614 N N 0.092 118.524 118.700 -0.446 0.000 2.735 614 N HA 0.153 4.822 4.740 -0.117 0.000 0.312 614 N C -2.604 172.829 175.510 -0.127 0.000 1.843 614 N CA -1.068 51.900 53.050 -0.138 0.000 0.945 614 N CB 0.961 39.431 38.487 -0.028 0.000 1.299 614 N HN 0.134 nan 8.380 nan 0.000 0.489 615 P HA 0.057 nan 4.420 nan 0.000 0.249 615 P C 0.893 178.141 177.300 -0.085 0.000 1.593 615 P CA 0.216 63.195 63.100 -0.202 0.000 0.896 615 P CB -0.086 31.389 31.700 -0.374 0.000 1.581 616 V N -4.252 115.663 119.914 0.003 0.000 3.556 616 V HA 0.275 4.325 4.120 -0.117 0.000 0.287 616 V C 1.546 177.709 176.094 0.114 0.000 1.422 616 V CA 0.152 62.513 62.300 0.101 0.000 1.038 616 V CB -0.316 31.593 31.823 0.142 0.000 0.850 616 V HN 0.060 nan 8.190 nan 0.000 0.437 617 I N -0.307 120.291 120.570 0.045 0.000 4.032 617 I HA 0.404 4.504 4.170 -0.117 0.000 0.313 617 I C 0.822 176.887 176.117 -0.087 0.000 1.272 617 I CA -0.162 61.093 61.300 -0.075 0.000 1.307 617 I CB 1.031 38.810 38.000 -0.367 0.000 1.155 617 I HN 0.328 nan 8.210 nan 0.000 0.431 618 L N 1.906 123.098 121.223 -0.051 0.000 2.455 618 L HA 0.244 4.514 4.340 -0.117 0.000 0.272 618 L C -0.533 176.353 176.870 0.027 0.000 1.174 618 L CA 1.079 55.876 54.840 -0.071 0.000 0.869 618 L CB 0.662 42.598 42.059 -0.204 0.000 1.130 618 L HN 0.070 nan 8.230 nan 0.000 0.474 619 T N 5.041 119.646 114.554 0.086 0.000 2.893 619 T HA 0.356 4.636 4.350 -0.117 0.000 0.293 619 T C -0.504 174.316 174.700 0.200 0.000 1.027 619 T CA -0.695 61.484 62.100 0.132 0.000 0.988 619 T CB 1.469 70.372 68.868 0.059 0.000 1.043 619 T HN 0.611 nan 8.240 nan 0.000 0.461 620 R N 1.089 121.698 120.500 0.181 0.000 2.537 620 R HA 0.098 4.367 4.340 -0.117 0.000 0.281 620 R C -0.153 176.056 176.300 -0.152 0.000 0.988 620 R CA -0.015 55.990 56.100 -0.157 0.000 1.077 620 R CB -0.070 30.171 30.300 -0.098 0.000 0.932 620 R HN 0.666 nan 8.270 nan 0.000 0.409 621 C N 5.557 124.707 119.300 -0.250 0.000 2.373 621 C HA 0.183 4.573 4.460 -0.117 0.000 0.354 621 C C 0.758 175.687 174.990 -0.102 0.000 1.249 621 C CA -0.704 58.254 59.018 -0.100 0.000 1.784 621 C CB -0.157 27.552 27.740 -0.053 0.000 2.408 621 C HN 0.833 nan 8.230 nan 0.000 0.542 622 D N 2.836 123.203 120.400 -0.054 0.000 2.338 622 D HA 0.257 4.826 4.640 -0.117 0.000 0.208 622 D C 0.480 176.763 176.300 -0.029 0.000 0.997 622 D CA 0.895 54.867 54.000 -0.047 0.000 0.880 622 D CB 0.547 41.325 40.800 -0.036 0.000 0.980 622 D HN 0.745 nan 8.370 nan 0.000 0.509 623 A N 0.482 123.295 122.820 -0.012 0.000 2.540 623 A HA 0.401 4.651 4.320 -0.117 0.000 0.297 623 A C -0.837 176.757 177.584 0.018 0.000 1.056 623 A CA -0.648 51.387 52.037 -0.004 0.000 0.700 623 A CB 1.121 20.120 19.000 -0.002 0.000 1.280 623 A HN -0.057 nan 8.150 nan 0.000 0.398 624 L N 2.245 123.475 121.223 0.011 0.000 2.593 624 L HA 0.111 4.381 4.340 -0.117 0.000 0.287 624 L C -1.837 175.078 176.870 0.075 0.000 1.243 624 L CA -0.167 54.696 54.840 0.038 0.000 0.890 624 L CB -0.666 41.368 42.059 -0.042 0.000 1.134 624 L HN 0.471 nan 8.230 nan 0.000 0.502 625 P HA 0.015 nan 4.420 nan 0.000 0.267 625 P C 0.850 178.219 177.300 0.116 0.000 1.200 625 P CA -0.084 63.093 63.100 0.128 0.000 0.772 625 P CB 0.528 32.327 31.700 0.164 0.000 0.855 626 S N 2.118 117.864 115.700 0.077 0.000 2.383 626 S HA -0.246 4.153 4.470 -0.117 0.000 0.229 626 S C 1.222 175.870 174.600 0.081 0.000 1.030 626 S CA 1.630 59.865 58.200 0.059 0.000 1.002 626 S CB -1.429 61.795 63.200 0.040 0.000 0.829 626 S HN 0.696 nan 8.310 nan 0.000 0.467 627 N N -0.466 118.297 118.700 0.106 0.000 2.449 627 N HA 0.054 4.723 4.740 -0.117 0.000 0.191 627 N C -0.079 175.560 175.510 0.216 0.000 1.161 627 N CA -0.076 53.045 53.050 0.119 0.000 0.863 627 N CB -0.154 38.385 38.487 0.087 0.000 0.980 627 N HN 0.403 nan 8.380 nan 0.000 0.458 628 F N 1.945 121.903 119.950 0.013 0.000 2.550 628 F HA 0.460 4.917 4.527 -0.117 0.000 0.348 628 F C -2.694 173.108 175.800 0.003 0.000 1.219 628 F CA -3.579 54.427 58.000 0.010 0.000 1.203 628 F CB 1.254 40.266 39.000 0.020 0.000 1.436 628 F HN -0.013 nan 8.300 nan 0.000 0.541 629 P HA 0.101 nan 4.420 nan 0.000 0.225 629 P C -0.400 176.807 177.300 -0.155 0.000 1.813 629 P CA 0.250 63.305 63.100 -0.076 0.000 1.013 629 P CB 0.320 32.022 31.700 0.004 0.000 1.961 630 V N 2.119 121.815 119.914 -0.363 0.000 2.583 630 V HA 0.265 4.315 4.120 -0.117 0.000 0.287 630 V C 1.279 177.346 176.094 -0.045 0.000 1.051 630 V CA 0.163 62.294 62.300 -0.280 0.000 1.010 630 V CB 0.928 32.410 31.823 -0.569 0.000 0.988 630 V HN 0.442 nan 8.190 nan 0.000 0.478 631 T N 0.517 115.178 114.554 0.179 0.000 2.942 631 T HA 0.308 4.588 4.350 -0.117 0.000 0.289 631 T C 0.714 175.377 174.700 -0.061 0.000 1.044 631 T CA -0.621 61.466 62.100 -0.022 0.000 1.023 631 T CB 1.406 70.162 68.868 -0.187 0.000 1.123 631 T HN 0.450 nan 8.240 nan 0.000 0.512 632 N N 0.458 119.097 118.700 -0.101 0.000 2.453 632 N HA -0.017 4.653 4.740 -0.117 0.000 0.183 632 N C 1.972 177.402 175.510 -0.133 0.000 1.041 632 N CA 1.725 54.712 53.050 -0.105 0.000 0.900 632 N CB -0.326 38.102 38.487 -0.099 0.000 0.961 632 N HN 0.831 nan 8.380 nan 0.000 0.443 633 E N 0.323 120.406 120.200 -0.195 0.000 2.007 633 E HA -0.208 4.072 4.350 -0.117 0.000 0.194 633 E C 1.720 178.204 176.600 -0.194 0.000 0.999 633 E CA 1.635 57.895 56.400 -0.235 0.000 0.811 633 E CB -1.387 28.117 29.700 -0.327 0.000 0.762 633 E HN 0.568 nan 8.360 nan 0.000 0.450 634 H N -0.793 118.208 119.070 -0.114 0.000 2.414 634 H HA -0.105 4.381 4.556 -0.117 0.000 0.290 634 H C 1.863 177.129 175.328 -0.102 0.000 1.125 634 H CA 2.023 58.005 56.048 -0.109 0.000 1.207 634 H CB -0.361 29.328 29.762 -0.122 0.000 1.356 634 H HN 0.297 nan 8.280 nan 0.000 0.494 635 V N 0.091 120.007 119.914 0.002 0.000 3.398 635 V HA 0.011 4.060 4.120 -0.117 0.000 0.298 635 V C 1.663 177.693 176.094 -0.106 0.000 1.496 635 V CA 0.234 62.511 62.300 -0.037 0.000 1.044 635 V CB 0.342 32.133 31.823 -0.053 0.000 0.880 635 V HN 0.282 nan 8.190 nan 0.000 0.443 636 N N 2.063 120.679 118.700 -0.140 0.000 2.166 636 N HA -0.135 4.534 4.740 -0.117 0.000 0.186 636 N C 1.800 177.195 175.510 -0.193 0.000 1.019 636 N CA 1.712 54.662 53.050 -0.166 0.000 0.856 636 N CB -0.034 38.361 38.487 -0.154 0.000 0.993 636 N HN 0.440 nan 8.380 nan 0.000 0.426 637 A N -0.877 121.777 122.820 -0.277 0.000 2.125 637 A HA -0.036 4.213 4.320 -0.117 0.000 0.219 637 A C 2.164 179.675 177.584 -0.122 0.000 1.156 637 A CA 1.540 53.363 52.037 -0.357 0.000 0.671 637 A CB -0.433 18.026 19.000 -0.902 0.000 0.794 637 A HN 0.355 nan 8.150 nan 0.000 0.459 638 S N -0.502 115.195 115.700 -0.006 0.000 2.446 638 S HA 0.204 4.604 4.470 -0.117 0.000 0.225 638 S C 0.720 175.248 174.600 -0.120 0.000 1.016 638 S CA -0.082 58.143 58.200 0.041 0.000 0.943 638 S CB -0.261 62.968 63.200 0.048 0.000 0.786 638 S HN 0.501 nan 8.310 nan 0.000 0.508 639 L N 2.791 123.832 121.223 -0.303 0.000 2.452 639 L HA 0.255 4.525 4.340 -0.117 0.000 0.267 639 L C 0.652 177.437 176.870 -0.142 0.000 1.188 639 L CA -0.132 54.418 54.840 -0.483 0.000 0.821 639 L CB 0.201 41.970 42.059 -0.483 0.000 1.102 639 L HN 0.244 nan 8.230 nan 0.000 0.470 640 D N -0.458 119.941 120.400 -0.002 0.000 2.640 640 D HA 0.031 4.601 4.640 -0.117 0.000 0.282 640 D C 0.995 177.330 176.300 0.058 0.000 1.558 640 D CA -0.283 53.749 54.000 0.054 0.000 0.820 640 D CB 0.219 41.077 40.800 0.098 0.000 1.243 640 D HN 0.429 nan 8.370 nan 0.000 0.456 641 R N 0.000 120.539 120.500 0.065 0.000 2.250 641 R HA 0.384 4.654 4.340 -0.117 0.000 0.194 641 R C 1.144 177.458 176.300 0.024 0.000 0.927 641 R CA 0.880 57.010 56.100 0.050 0.000 1.052 641 R CB 0.933 31.279 30.300 0.077 0.000 1.055 641 R HN 0.239 nan 8.270 nan 0.000 0.537 642 G N 0.917 109.720 108.800 0.006 0.000 2.273 642 G HA2 -0.150 3.740 3.960 -0.117 0.000 0.162 642 G HA3 -0.150 3.740 3.960 -0.117 0.000 0.162 642 G C -0.167 174.727 174.900 -0.011 0.000 1.006 642 G CA -0.559 44.537 45.100 -0.006 0.000 0.704 642 G HN 0.068 nan 8.290 nan 0.000 0.487 643 K N 0.191 120.586 120.400 -0.008 0.000 2.238 643 K HA 0.557 4.807 4.320 -0.117 0.000 0.239 643 K C -0.315 176.255 176.600 -0.049 0.000 0.987 643 K CA -1.005 55.275 56.287 -0.011 0.000 0.857 643 K CB 0.929 33.447 32.500 0.029 0.000 1.154 643 K HN 0.052 nan 8.250 nan 0.000 0.439 644 N N 0.769 119.441 118.700 -0.047 0.000 2.448 644 N HA 0.092 4.762 4.740 -0.117 0.000 0.274 644 N C 0.949 176.417 175.510 -0.071 0.000 1.239 644 N CA -0.407 52.600 53.050 -0.071 0.000 0.982 644 N CB 0.425 38.875 38.487 -0.061 0.000 1.199 644 N HN 0.393 nan 8.380 nan 0.000 0.576 645 L N 1.788 122.960 121.223 -0.085 0.000 1.970 645 L HA -0.188 4.082 4.340 -0.117 0.000 0.212 645 L C 2.062 178.907 176.870 -0.041 0.000 1.071 645 L CA 2.792 57.587 54.840 -0.075 0.000 0.751 645 L CB -1.307 40.702 42.059 -0.083 0.000 0.889 645 L HN 0.745 nan 8.230 nan 0.000 0.432 646 D N -1.535 118.839 120.400 -0.042 0.000 2.228 646 D HA -0.232 4.338 4.640 -0.117 0.000 0.203 646 D C 1.850 178.139 176.300 -0.018 0.000 0.988 646 D CA 1.697 55.678 54.000 -0.032 0.000 0.864 646 D CB -0.483 40.296 40.800 -0.034 0.000 0.928 646 D HN 0.739 nan 8.370 nan 0.000 0.469 647 E N -0.436 119.758 120.200 -0.010 0.000 2.051 647 E HA -0.093 4.187 4.350 -0.117 0.000 0.189 647 E C 2.251 178.873 176.600 0.038 0.000 0.979 647 E CA 0.691 57.096 56.400 0.008 0.000 0.803 647 E CB 0.045 29.751 29.700 0.010 0.000 0.761 647 E HN 0.413 nan 8.360 nan 0.000 0.451 648 E N 0.919 121.157 120.200 0.062 0.000 2.153 648 E HA -0.149 4.131 4.350 -0.117 0.000 0.194 648 E C 2.143 178.798 176.600 0.092 0.000 0.988 648 E CA 0.625 57.118 56.400 0.155 0.000 0.811 648 E CB -0.125 29.698 29.700 0.205 0.000 0.746 648 E HN 0.367 nan 8.360 nan 0.000 0.466 649 I N 0.768 121.353 120.570 0.025 0.000 2.264 649 I HA -0.288 3.812 4.170 -0.117 0.000 0.248 649 I C 2.373 178.459 176.117 -0.051 0.000 1.111 649 I CA 1.214 62.498 61.300 -0.027 0.000 1.382 649 I CB -0.188 37.793 38.000 -0.031 0.000 1.060 649 I HN -0.043 nan 8.210 nan 0.000 0.418 650 K N -0.681 119.700 120.400 -0.031 0.000 2.262 650 K HA -0.072 4.178 4.320 -0.117 0.000 0.200 650 K C 1.446 178.013 176.600 -0.056 0.000 1.049 650 K CA 0.681 56.944 56.287 -0.040 0.000 0.979 650 K CB -0.351 32.135 32.500 -0.023 0.000 0.773 650 K HN 0.302 nan 8.250 nan 0.000 0.474 651 D N -0.190 120.182 120.400 -0.047 0.000 2.348 651 D HA 0.035 4.605 4.640 -0.117 0.000 0.216 651 D C 0.927 177.033 176.300 -0.323 0.000 0.970 651 D CA 1.004 54.940 54.000 -0.108 0.000 0.889 651 D CB 0.055 40.876 40.800 0.035 0.000 0.912 651 D HN 0.450 nan 8.370 nan 0.000 0.524 652 G N 0.253 108.911 108.800 -0.236 0.000 2.212 652 G HA2 -0.304 3.585 3.960 -0.117 0.000 0.255 652 G HA3 -0.304 3.585 3.960 -0.117 0.000 0.255 652 G C 0.447 175.204 174.900 -0.239 0.000 1.062 652 G CA 0.372 45.320 45.100 -0.254 0.000 0.815 652 G HN 0.548 nan 8.290 nan 0.000 0.497 653 H N -1.285 117.803 119.070 0.031 0.000 2.755 653 H HA 0.358 4.844 4.556 -0.117 0.000 0.273 653 H C 0.770 176.216 175.328 0.197 0.000 1.055 653 H CA -0.492 55.654 56.048 0.162 0.000 1.191 653 H CB 0.828 30.688 29.762 0.162 0.000 1.536 653 H HN 0.337 nan 8.280 nan 0.000 0.529 654 I N 1.470 122.044 120.570 0.007 0.000 2.378 654 I HA 0.189 4.289 4.170 -0.117 0.000 0.291 654 I C -0.747 175.121 176.117 -0.415 0.000 0.992 654 I CA -0.740 60.578 61.300 0.030 0.000 1.154 654 I CB 0.619 38.651 38.000 0.054 0.000 1.315 654 I HN 0.086 nan 8.210 nan 0.000 0.448 655 Y N 5.886 126.295 120.300 0.181 0.000 2.562 655 Y HA 0.690 5.170 4.550 -0.117 0.000 0.343 655 Y C 0.018 176.060 175.900 0.236 0.000 1.025 655 Y CA -0.848 57.335 58.100 0.139 0.000 1.082 655 Y CB 2.687 41.167 38.460 0.032 0.000 1.264 655 Y HN 0.446 nan 8.280 nan 0.000 0.478 656 I N 2.147 122.888 120.570 0.284 0.000 2.894 656 I HA 0.745 4.844 4.170 -0.117 0.000 0.302 656 I C -1.624 174.565 176.117 0.120 0.000 1.188 656 I CA -1.132 60.321 61.300 0.255 0.000 1.014 656 I CB 1.924 40.036 38.000 0.187 0.000 1.242 656 I HN 0.477 nan 8.210 nan 0.000 0.430 657 V N 2.242 122.203 119.914 0.079 0.000 2.656 657 V HA 0.731 4.781 4.120 -0.117 0.000 0.307 657 V C -1.461 174.511 176.094 -0.204 0.000 1.051 657 V CA -0.320 61.897 62.300 -0.138 0.000 0.893 657 V CB 1.696 33.426 31.823 -0.156 0.000 0.999 657 V HN 0.768 nan 8.190 nan 0.000 0.426 658 D N 2.962 123.143 120.400 -0.365 0.000 2.476 658 D HA 0.436 5.005 4.640 -0.117 0.000 0.251 658 D C -0.448 175.647 176.300 -0.341 0.000 1.291 658 D CA -0.539 53.312 54.000 -0.248 0.000 0.939 658 D CB 1.341 42.067 40.800 -0.124 0.000 1.221 658 D HN 0.476 nan 8.370 nan 0.000 0.567 659 F N 2.651 122.581 119.950 -0.033 0.000 2.676 659 F HA 0.106 4.563 4.527 -0.118 0.000 0.300 659 F C 2.146 178.011 175.800 0.108 0.000 1.160 659 F CA -0.175 57.838 58.000 0.021 0.000 1.401 659 F CB 0.128 39.141 39.000 0.023 0.000 1.037 659 F HN 0.397 nan 8.300 nan 0.000 0.522 660 K N -0.784 119.718 120.400 0.169 0.000 2.286 660 K HA -0.183 4.067 4.320 -0.117 0.000 0.203 660 K C 1.878 178.602 176.600 0.207 0.000 1.045 660 K CA 1.441 57.819 56.287 0.153 0.000 0.935 660 K CB -0.850 31.700 32.500 0.084 0.000 0.737 660 K HN 0.320 nan 8.250 nan 0.000 0.460 661 V N 1.449 121.535 119.914 0.288 0.000 2.867 661 V HA -0.114 3.936 4.120 -0.117 0.000 0.260 661 V C 1.786 178.155 176.094 0.459 0.000 1.099 661 V CA 1.243 63.742 62.300 0.332 0.000 1.122 661 V CB -0.299 31.727 31.823 0.338 0.000 0.708 661 V HN 0.410 nan 8.190 nan 0.000 0.490 662 L N -0.198 121.292 121.223 0.445 0.000 2.465 662 L HA 0.040 4.310 4.340 -0.117 0.000 0.224 662 L C 0.865 177.844 176.870 0.180 0.000 1.145 662 L CA -0.008 55.013 54.840 0.301 0.000 0.834 662 L CB -0.143 42.038 42.059 0.205 0.000 0.944 662 L HN 0.121 nan 8.230 nan 0.000 0.451 663 V N 1.001 121.011 119.914 0.161 0.000 2.557 663 V HA 0.112 4.161 4.120 -0.117 0.000 0.301 663 V C 1.363 177.516 176.094 0.098 0.000 1.026 663 V CA 1.209 63.562 62.300 0.089 0.000 1.137 663 V CB 0.162 32.026 31.823 0.067 0.000 0.917 663 V HN 0.626 nan 8.190 nan 0.000 0.484 664 G N 3.458 112.293 108.800 0.058 0.000 2.176 664 G HA2 -0.086 3.804 3.960 -0.117 0.000 0.232 664 G HA3 -0.086 3.804 3.960 -0.117 0.000 0.232 664 G C 0.400 175.354 174.900 0.091 0.000 0.986 664 G CA 0.066 45.207 45.100 0.067 0.000 0.643 664 G HN 1.591 nan 8.290 nan 0.000 0.522 665 A N 0.406 123.285 122.820 0.097 0.000 2.492 665 A HA 0.546 4.795 4.320 -0.117 0.000 0.254 665 A C 0.573 178.216 177.584 0.098 0.000 1.091 665 A CA 0.905 52.999 52.037 0.096 0.000 0.768 665 A CB 0.295 19.299 19.000 0.005 0.000 1.028 665 A HN 0.539 nan 8.150 nan 0.000 0.498 666 K N 2.990 123.447 120.400 0.096 0.000 2.262 666 K HA 0.356 4.606 4.320 -0.117 0.000 0.282 666 K C -0.251 176.393 176.600 0.074 0.000 1.066 666 K CA -0.144 56.194 56.287 0.085 0.000 0.901 666 K CB 0.437 32.975 32.500 0.064 0.000 1.089 666 K HN 0.702 nan 8.250 nan 0.000 0.476 667 S N 2.468 118.204 115.700 0.061 0.000 2.652 667 S HA 0.111 4.510 4.470 -0.117 0.000 0.270 667 S C -0.680 173.926 174.600 0.011 0.000 1.243 667 S CA -0.638 57.581 58.200 0.031 0.000 0.999 667 S CB 0.351 63.538 63.200 -0.021 0.000 0.973 667 S HN 0.528 nan 8.310 nan 0.000 0.544 668 Y N 0.864 121.115 120.300 -0.083 0.000 2.702 668 Y HA 0.323 4.803 4.550 -0.118 0.000 0.336 668 Y C 1.422 177.247 175.900 -0.124 0.000 1.235 668 Y CA 1.871 59.922 58.100 -0.081 0.000 1.492 668 Y CB -0.005 38.403 38.460 -0.086 0.000 1.308 668 Y HN 0.881 nan 8.280 nan 0.000 0.589 669 G N 2.026 110.588 108.800 -0.396 0.000 2.527 669 G HA2 -0.173 3.716 3.960 -0.117 0.000 0.218 669 G HA3 -0.173 3.716 3.960 -0.117 0.000 0.218 669 G C 0.861 175.656 174.900 -0.175 0.000 1.177 669 G CA 0.394 45.375 45.100 -0.199 0.000 0.695 669 G HN 1.979 nan 8.290 nan 0.000 0.517 670 G N -0.804 107.907 108.800 -0.147 0.000 3.302 670 G HA2 0.167 4.056 3.960 -0.117 0.000 0.216 670 G HA3 0.167 4.056 3.960 -0.117 0.000 0.216 670 G C -2.050 172.829 174.900 -0.035 0.000 1.008 670 G CA 0.621 45.670 45.100 -0.084 0.000 0.852 670 G HN 0.993 nan 8.290 nan 0.000 0.485 671 P HA 0.437 nan 4.420 nan 0.000 0.262 671 P C -0.168 177.244 177.300 0.187 0.000 1.182 671 P CA 0.315 63.447 63.100 0.053 0.000 0.761 671 P CB 1.498 33.080 31.700 -0.197 0.000 0.795 672 V N 5.183 125.238 119.914 0.235 0.000 2.370 672 V HA 0.156 4.206 4.120 -0.117 0.000 0.283 672 V C 0.414 176.571 176.094 0.105 0.000 1.023 672 V CA -0.842 61.558 62.300 0.166 0.000 0.857 672 V CB 1.382 33.260 31.823 0.091 0.000 0.985 672 V HN 0.389 nan 8.190 nan 0.000 0.443 673 L N 5.442 126.667 121.223 0.004 0.000 2.367 673 L HA 0.618 4.888 4.340 -0.117 0.000 0.275 673 L C 0.361 177.118 176.870 -0.190 0.000 1.129 673 L CA 0.889 55.544 54.840 -0.309 0.000 0.839 673 L CB 0.679 42.641 42.059 -0.161 0.000 1.133 673 L HN 0.901 nan 8.230 nan 0.000 0.453 674 E N 2.148 122.196 120.200 -0.253 0.000 2.316 674 E HA 0.358 4.637 4.350 -0.117 0.000 0.258 674 E C 0.531 177.072 176.600 -0.098 0.000 0.952 674 E CA 0.152 56.483 56.400 -0.115 0.000 0.818 674 E CB 0.426 30.079 29.700 -0.079 0.000 1.260 674 E HN 0.745 nan 8.360 nan 0.000 0.416 675 D N -0.424 119.950 120.400 -0.043 0.000 2.190 675 D HA -0.181 4.389 4.640 -0.117 0.000 0.200 675 D C 1.396 177.676 176.300 -0.033 0.000 0.992 675 D CA 1.892 55.878 54.000 -0.023 0.000 0.854 675 D CB -0.609 40.191 40.800 -0.000 0.000 0.936 675 D HN 0.564 nan 8.370 nan 0.000 0.462 676 I N -3.251 117.293 120.570 -0.043 0.000 3.812 676 I HA 0.550 4.650 4.170 -0.117 0.000 0.320 676 I C 1.476 177.553 176.117 -0.066 0.000 1.276 676 I CA 0.036 61.315 61.300 -0.035 0.000 1.164 676 I CB 0.216 38.210 38.000 -0.011 0.000 1.009 676 I HN 0.249 nan 8.210 nan 0.000 0.431 677 G N 0.750 109.459 108.800 -0.151 0.000 2.709 677 G HA2 -0.216 3.674 3.960 -0.117 0.000 0.228 677 G HA3 -0.216 3.674 3.960 -0.117 0.000 0.228 677 G C -0.783 173.859 174.900 -0.429 0.000 1.215 677 G CA -0.372 44.565 45.100 -0.271 0.000 1.003 677 G HN 0.219 nan 8.290 nan 0.000 0.584 678 Y N 2.679 123.003 120.300 0.039 0.000 2.328 678 Y HA 0.657 5.136 4.550 -0.117 0.000 0.336 678 Y C 0.939 176.878 175.900 0.064 0.000 0.960 678 Y CA 0.192 58.342 58.100 0.083 0.000 1.134 678 Y CB 1.310 39.864 38.460 0.156 0.000 1.166 678 Y HN 0.934 nan 8.280 nan 0.000 0.464 690 D N 1.711 122.140 120.400 0.048 0.000 2.441 690 D HA 0.553 5.122 4.640 -0.117 0.000 0.221 690 D C -1.016 175.360 176.300 0.127 0.000 1.156 690 D CA 0.355 54.386 54.000 0.052 0.000 0.896 690 D CB 0.126 40.943 40.800 0.029 0.000 1.028 690 D HN 0.304 nan 8.370 nan 0.000 0.509 691 I N 3.724 124.310 120.570 0.027 0.000 2.478 691 I HA 0.351 4.451 4.170 -0.117 0.000 0.287 691 I C 0.002 176.018 176.117 -0.169 0.000 1.042 691 I CA -0.456 60.812 61.300 -0.053 0.000 1.067 691 I CB 1.535 39.500 38.000 -0.060 0.000 1.233 691 I HN 0.175 nan 8.210 nan 0.000 0.431 692 R N 5.002 125.338 120.500 -0.273 0.000 2.828 692 R HA 0.748 5.018 4.340 -0.117 0.000 0.264 692 R C -1.551 174.404 176.300 -0.576 0.000 1.022 692 R CA -0.942 55.007 56.100 -0.252 0.000 1.021 692 R CB 1.940 32.189 30.300 -0.085 0.000 1.163 692 R HN 0.360 nan 8.270 nan 0.000 0.494 693 Y N -0.881 119.412 120.300 -0.012 0.000 2.553 693 Y HA 0.502 4.982 4.550 -0.117 0.000 0.347 693 Y C -0.194 175.832 175.900 0.211 0.000 1.019 693 Y CA -0.683 57.453 58.100 0.060 0.000 1.032 693 Y CB 2.122 40.629 38.460 0.079 0.000 1.284 693 Y HN 0.517 nan 8.280 nan 0.000 0.466 694 C N 1.083 120.719 119.300 0.561 0.000 3.259 694 C HA 0.995 5.385 4.460 -0.117 0.000 0.328 694 C C -0.829 174.515 174.990 0.590 0.000 1.425 694 C CA -0.197 59.095 59.018 0.457 0.000 1.465 694 C CB 1.172 29.037 27.740 0.208 0.000 1.890 694 C HN 1.010 nan 8.230 nan 0.000 0.450 695 A N 0.243 123.295 122.820 0.387 0.000 2.569 695 A HA 0.886 5.136 4.320 -0.117 0.000 0.290 695 A C -1.022 176.654 177.584 0.154 0.000 1.136 695 A CA 0.173 52.367 52.037 0.262 0.000 0.710 695 A CB 1.082 20.279 19.000 0.328 0.000 1.303 695 A HN 1.923 nan 8.150 nan 0.000 0.413 696 A N 1.783 124.673 122.820 0.117 0.000 3.165 696 A HA 0.684 4.934 4.320 -0.117 0.000 0.331 696 A C -2.701 174.978 177.584 0.159 0.000 1.034 696 A CA -1.371 50.763 52.037 0.162 0.000 0.906 696 A CB -0.176 18.907 19.000 0.139 0.000 1.054 696 A HN 0.484 nan 8.150 nan 0.000 0.484 697 P HA 0.564 nan 4.420 nan 0.000 0.277 697 P C -0.712 176.644 177.300 0.092 0.000 1.271 697 P CA -0.312 62.871 63.100 0.139 0.000 0.795 697 P CB 1.112 32.917 31.700 0.176 0.000 1.101 698 L N -0.210 120.911 121.223 -0.170 0.000 2.370 698 L HA 0.808 5.078 4.340 -0.117 0.000 0.266 698 L C -0.098 176.527 176.870 -0.409 0.000 1.002 698 L CA -0.542 54.010 54.840 -0.479 0.000 0.818 698 L CB 1.903 43.199 42.059 -1.271 0.000 1.325 698 L HN 0.464 nan 8.230 nan 0.000 0.418 699 A N 2.217 124.936 122.820 -0.168 0.000 2.549 699 A HA 0.876 5.126 4.320 -0.117 0.000 0.297 699 A C -1.977 175.670 177.584 0.104 0.000 1.061 699 A CA -0.415 51.636 52.037 0.023 0.000 0.690 699 A CB 1.645 20.661 19.000 0.026 0.000 1.287 699 A HN 0.527 nan 8.150 nan 0.000 0.402 700 L N 0.990 122.232 121.223 0.031 0.000 2.362 700 L HA 0.923 5.193 4.340 -0.117 0.000 0.271 700 L C -1.539 175.182 176.870 -0.249 0.000 1.002 700 L CA -0.250 54.647 54.840 0.095 0.000 0.818 700 L CB 1.533 43.714 42.059 0.203 0.000 1.298 700 L HN 0.646 nan 8.230 nan 0.000 0.420 701 F N 3.024 123.083 119.950 0.182 0.000 2.599 701 F HA 0.481 4.938 4.527 -0.117 0.000 0.311 701 F C -1.228 174.749 175.800 0.296 0.000 1.076 701 F CA -0.598 57.520 58.000 0.196 0.000 0.937 701 F CB 1.820 40.882 39.000 0.103 0.000 1.282 701 F HN 0.312 nan 8.300 nan 0.000 0.460 702 Y N 1.754 122.247 120.300 0.321 0.000 2.406 702 Y HA 0.686 5.165 4.550 -0.117 0.000 0.340 702 Y C -1.415 174.611 175.900 0.211 0.000 0.975 702 Y CA -1.447 56.796 58.100 0.239 0.000 1.056 702 Y CB 1.480 40.018 38.460 0.130 0.000 1.210 702 Y HN 0.348 nan 8.280 nan 0.000 0.448 703 V N 7.796 127.526 119.914 -0.307 0.000 2.405 703 V HA 0.115 4.165 4.120 -0.117 0.000 0.264 703 V C 0.204 175.634 176.094 -1.106 0.000 1.048 703 V CA -0.511 61.515 62.300 -0.456 0.000 0.966 703 V CB -0.440 31.311 31.823 -0.121 0.000 1.015 703 V HN 0.850 nan 8.190 nan 0.000 0.477 704 N N 5.713 123.976 118.700 -0.729 0.000 2.322 704 N HA 0.122 4.792 4.740 -0.117 0.000 0.270 704 N C 1.008 176.281 175.510 -0.394 0.000 1.286 704 N CA -0.410 52.299 53.050 -0.568 0.000 0.948 704 N CB 0.403 38.805 38.487 -0.142 0.000 1.164 704 N HN 0.589 nan 8.380 nan 0.000 0.551 705 K N -0.658 119.611 120.400 -0.219 0.000 2.288 705 K HA 0.029 4.279 4.320 -0.117 0.000 0.201 705 K C 1.478 177.960 176.600 -0.196 0.000 1.048 705 K CA 0.917 57.097 56.287 -0.179 0.000 0.956 705 K CB -0.343 32.103 32.500 -0.090 0.000 0.746 705 K HN 0.399 nan 8.250 nan 0.000 0.461 706 L N 0.601 121.653 121.223 -0.284 0.000 2.492 706 L HA 0.108 4.378 4.340 -0.117 0.000 0.223 706 L C 1.141 177.785 176.870 -0.376 0.000 1.132 706 L CA 0.677 55.277 54.840 -0.401 0.000 0.850 706 L CB -0.250 41.391 42.059 -0.696 0.000 0.966 706 L HN 0.656 nan 8.230 nan 0.000 0.454 707 G N -0.611 108.022 108.800 -0.279 0.000 2.157 707 G HA2 -0.263 3.626 3.960 -0.117 0.000 0.248 707 G HA3 -0.263 3.626 3.960 -0.117 0.000 0.248 707 G C 0.103 174.994 174.900 -0.016 0.000 0.979 707 G CA -0.219 44.801 45.100 -0.135 0.000 0.650 707 G HN 0.534 nan 8.290 nan 0.000 0.529 708 H N -0.772 118.217 119.070 -0.135 0.000 2.683 708 H HA 0.436 4.922 4.556 -0.117 0.000 0.339 708 H C 0.157 175.411 175.328 -0.123 0.000 1.081 708 H CA -0.749 55.220 56.048 -0.132 0.000 1.432 708 H CB 1.685 31.364 29.762 -0.139 0.000 1.462 708 H HN 0.179 nan 8.280 nan 0.000 0.557 709 L N 4.697 125.932 121.223 0.021 0.000 2.283 709 L HA 0.173 4.443 4.340 -0.117 0.000 0.287 709 L C -0.816 176.174 176.870 0.200 0.000 1.073 709 L CA -0.129 54.728 54.840 0.029 0.000 0.822 709 L CB 0.245 42.230 42.059 -0.122 0.000 1.186 709 L HN 0.573 nan 8.230 nan 0.000 0.436 710 M N 7.509 127.278 119.600 0.282 0.000 2.300 710 M HA 0.487 4.897 4.480 -0.117 0.000 0.348 710 M C -2.418 174.128 176.300 0.409 0.000 1.151 710 M CA -2.347 53.153 55.300 0.335 0.000 1.046 710 M CB 1.312 34.069 32.600 0.262 0.000 1.647 710 M HN 0.325 nan 8.290 nan 0.000 0.451 711 P HA 0.286 nan 4.420 nan 0.000 0.280 711 P C 0.209 177.559 177.300 0.084 0.000 1.244 711 P CA -0.120 63.012 63.100 0.053 0.000 0.784 711 P CB 0.722 32.655 31.700 0.387 0.000 0.913 712 I N -0.227 120.309 120.570 -0.056 0.000 4.624 712 I HA 0.612 4.712 4.170 -0.117 0.000 0.327 712 I C 0.143 176.212 176.117 -0.079 0.000 1.295 712 I CA -0.323 60.936 61.300 -0.069 0.000 1.267 712 I CB 0.713 38.706 38.000 -0.011 0.000 1.249 712 I HN 0.193 nan 8.210 nan 0.000 0.440 713 A N 1.656 124.500 122.820 0.041 0.000 2.566 713 A HA 0.822 5.071 4.320 -0.117 0.000 0.297 713 A C -1.352 176.433 177.584 0.336 0.000 1.059 713 A CA -0.333 51.801 52.037 0.162 0.000 0.691 713 A CB 1.408 20.436 19.000 0.048 0.000 1.282 713 A HN 0.247 nan 8.150 nan 0.000 0.401 714 I N 1.218 122.060 120.570 0.454 0.000 2.569 714 I HA 0.425 4.525 4.170 -0.117 0.000 0.290 714 I C -0.407 175.997 176.117 0.478 0.000 1.088 714 I CA -0.329 61.213 61.300 0.403 0.000 1.047 714 I CB 2.369 40.563 38.000 0.324 0.000 1.237 714 I HN 0.791 nan 8.210 nan 0.000 0.421 715 Q N 5.599 125.592 119.800 0.322 0.000 2.341 715 Q HA 0.471 4.741 4.340 -0.117 0.000 0.268 715 Q C 0.113 176.215 176.000 0.170 0.000 1.013 715 Q CA -0.489 55.486 55.803 0.287 0.000 0.798 715 Q CB 1.877 30.770 28.738 0.258 0.000 1.253 715 Q HN 0.745 nan 8.270 nan 0.000 0.457 716 I N 2.376 123.081 120.570 0.224 0.000 2.493 716 I HA -0.115 3.985 4.170 -0.117 0.000 0.254 716 I C 0.722 176.866 176.117 0.045 0.000 1.160 716 I CA 0.740 62.103 61.300 0.105 0.000 1.445 716 I CB 0.037 38.015 38.000 -0.037 0.000 1.086 716 I HN 0.549 nan 8.210 nan 0.000 0.433 717 N N -1.088 117.634 118.700 0.037 0.000 2.761 717 N HA 0.204 4.874 4.740 -0.117 0.000 0.283 717 N C 0.340 175.859 175.510 0.015 0.000 1.377 717 N CA -0.542 52.514 53.050 0.010 0.000 0.791 717 N CB 1.350 39.816 38.487 -0.035 0.000 1.540 717 N HN -0.147 nan 8.380 nan 0.000 0.539 718 Q N 0.513 120.319 119.800 0.011 0.000 2.020 718 Q HA -0.064 4.206 4.340 -0.117 0.000 0.198 718 Q C -0.054 175.964 176.000 0.030 0.000 0.974 718 Q CA 1.374 57.188 55.803 0.017 0.000 0.829 718 Q CB -0.282 28.470 28.738 0.023 0.000 0.894 718 Q HN 0.525 nan 8.270 nan 0.000 0.433 719 E N 2.711 122.925 120.200 0.024 0.000 2.052 719 E HA 0.141 4.421 4.350 -0.117 0.000 0.283 719 E C -2.366 174.256 176.600 0.036 0.000 1.071 719 E CA -2.629 53.789 56.400 0.030 0.000 0.851 719 E CB 0.769 30.479 29.700 0.017 0.000 1.066 719 E HN -0.031 nan 8.360 nan 0.000 0.396 720 P HA 0.348 nan 4.420 nan 0.000 0.270 720 P C -0.116 177.199 177.300 0.025 0.000 1.223 720 P CA -0.128 63.003 63.100 0.051 0.000 0.785 720 P CB 1.135 32.876 31.700 0.068 0.000 0.923 721 G N 0.648 109.454 108.800 0.009 0.000 2.328 721 G HA2 0.295 4.185 3.960 -0.117 0.000 0.295 721 G HA3 0.295 4.185 3.960 -0.117 0.000 0.295 721 G C -2.637 172.251 174.900 -0.021 0.000 1.413 721 G CA -0.750 44.349 45.100 -0.001 0.000 0.817 721 G HN 0.156 nan 8.290 nan 0.000 0.546 722 P HA -0.017 nan 4.420 nan 0.000 0.218 722 P C 0.915 178.196 177.300 -0.031 0.000 1.149 722 P CA 1.229 64.309 63.100 -0.034 0.000 0.817 722 P CB 0.306 31.994 31.700 -0.019 0.000 0.785 723 E N -1.093 119.104 120.200 -0.006 0.000 2.479 723 E HA 0.022 4.302 4.350 -0.117 0.000 0.193 723 E C 0.393 177.012 176.600 0.031 0.000 1.049 723 E CA 0.033 56.443 56.400 0.016 0.000 0.870 723 E CB -0.230 29.484 29.700 0.023 0.000 0.944 723 E HN 0.124 nan 8.360 nan 0.000 0.492 724 N N 1.282 119.991 118.700 0.015 0.000 2.726 724 N HA 0.113 4.783 4.740 -0.117 0.000 0.253 724 N C -2.808 172.701 175.510 -0.002 0.000 1.530 724 N CA -1.851 51.225 53.050 0.044 0.000 0.772 724 N CB 0.880 39.389 38.487 0.036 0.000 1.220 724 N HN -0.126 nan 8.380 nan 0.000 0.508 725 P HA 0.364 nan 4.420 nan 0.000 0.297 725 P C -0.213 176.881 177.300 -0.344 0.000 1.307 725 P CA -0.518 62.403 63.100 -0.299 0.000 0.773 725 P CB 1.667 33.033 31.700 -0.557 0.000 1.265 726 I N 0.013 120.355 120.570 -0.379 0.000 2.325 726 I HA 0.175 4.275 4.170 -0.117 0.000 0.291 726 I C -0.107 175.786 176.117 -0.374 0.000 1.019 726 I CA -0.357 60.773 61.300 -0.283 0.000 1.302 726 I CB 0.184 37.883 38.000 -0.502 0.000 1.401 726 I HN 0.262 nan 8.210 nan 0.000 0.485 727 W N 4.869 126.221 121.300 0.087 0.000 2.509 727 W HA 0.653 5.243 4.660 -0.117 0.000 0.351 727 W C 0.345 176.940 176.519 0.127 0.000 1.107 727 W CA -0.531 56.909 57.345 0.158 0.000 1.264 727 W CB 1.062 30.696 29.460 0.290 0.000 1.312 727 W HN 0.226 nan 8.180 nan 0.000 0.608 728 T N 1.217 115.867 114.554 0.160 0.000 2.864 728 T HA 0.310 4.590 4.350 -0.117 0.000 0.299 728 T C -2.019 171.955 174.700 -1.210 0.000 1.166 728 T CA -1.789 60.072 62.100 -0.399 0.000 1.007 728 T CB 1.703 70.481 68.868 -0.150 0.000 1.219 728 T HN 0.079 nan 8.240 nan 0.000 0.506 729 P HA -0.010 nan 4.420 nan 0.000 0.228 729 P C 0.351 177.002 177.300 -1.081 0.000 1.151 729 P CA 1.161 63.017 63.100 -2.074 0.000 0.770 729 P CB -0.111 30.720 31.700 -1.449 0.000 0.786 730 H N -1.468 117.332 119.070 -0.449 0.000 2.517 730 H HA 0.145 4.631 4.556 -0.117 0.000 0.282 730 H C 0.535 175.791 175.328 -0.121 0.000 1.023 730 H CA -0.391 55.523 56.048 -0.224 0.000 1.169 730 H CB -0.213 29.444 29.762 -0.174 0.000 1.454 730 H HN -0.004 nan 8.280 nan 0.000 0.556 731 E N 1.325 121.505 120.200 -0.034 0.000 2.653 731 E HA -0.156 4.123 4.350 -0.117 0.000 0.264 731 E C 1.077 177.723 176.600 0.076 0.000 0.949 731 E CA 0.409 56.862 56.400 0.088 0.000 0.953 731 E CB 0.643 30.474 29.700 0.219 0.000 0.925 731 E HN 0.603 nan 8.360 nan 0.000 0.475 732 E N 2.126 122.376 120.200 0.084 0.000 2.072 732 E HA -0.159 4.121 4.350 -0.117 0.000 0.190 732 E C 0.464 177.104 176.600 0.067 0.000 0.982 732 E CA 0.349 56.786 56.400 0.062 0.000 0.803 732 E CB 0.222 29.955 29.700 0.055 0.000 0.755 732 E HN 0.248 nan 8.360 nan 0.000 0.453 733 N N 1.262 120.025 118.700 0.106 0.000 2.415 733 N HA -0.062 4.608 4.740 -0.117 0.000 0.246 733 N C 0.492 176.047 175.510 0.076 0.000 1.078 733 N CA 0.096 53.209 53.050 0.104 0.000 0.942 733 N CB 0.855 39.448 38.487 0.176 0.000 1.140 733 N HN 0.210 nan 8.380 nan 0.000 0.501 734 E N 3.068 123.232 120.200 -0.059 0.000 2.130 734 E HA -0.270 4.010 4.350 -0.117 0.000 0.196 734 E C 0.364 176.955 176.600 -0.015 0.000 0.998 734 E CA 1.302 57.659 56.400 -0.072 0.000 0.806 734 E CB -0.365 29.231 29.700 -0.172 0.000 0.738 734 E HN 0.620 nan 8.360 nan 0.000 0.459 735 H N 0.878 120.044 119.070 0.160 0.000 2.457 735 H HA -0.044 4.442 4.556 -0.117 0.000 0.294 735 H C 1.345 176.740 175.328 0.112 0.000 1.064 735 H CA 1.361 57.500 56.048 0.152 0.000 1.330 735 H CB -0.125 29.731 29.762 0.156 0.000 1.395 735 H HN 0.303 nan 8.280 nan 0.000 0.541 736 D N 0.362 120.899 120.400 0.228 0.000 2.117 736 D HA -0.168 4.402 4.640 -0.117 0.000 0.197 736 D C 2.132 178.474 176.300 0.070 0.000 0.987 736 D CA 0.542 54.626 54.000 0.140 0.000 0.829 736 D CB -0.474 40.559 40.800 0.389 0.000 0.961 736 D HN 0.484 nan 8.370 nan 0.000 0.460 737 W N 0.684 121.971 121.300 -0.021 0.000 2.354 737 W HA -0.235 4.355 4.660 -0.117 0.000 0.315 737 W C 2.094 178.474 176.519 -0.230 0.000 1.206 737 W CA 0.647 57.937 57.345 -0.093 0.000 1.290 737 W CB -0.241 29.169 29.460 -0.083 0.000 1.152 737 W HN -0.061 nan 8.180 nan 0.000 0.489 738 M N 1.118 120.529 119.600 -0.315 0.000 2.108 738 M HA -0.300 4.110 4.480 -0.117 0.000 0.257 738 M C 2.293 178.171 176.300 -0.703 0.000 1.071 738 M CA 2.439 57.380 55.300 -0.597 0.000 1.093 738 M CB -0.955 31.518 32.600 -0.212 0.000 1.345 738 M HN 0.105 nan 8.290 nan 0.000 0.403 739 M N -0.362 119.081 119.600 -0.262 0.000 2.132 739 M HA 0.014 4.423 4.480 -0.117 0.000 0.263 739 M C 1.985 178.228 176.300 -0.095 0.000 1.065 739 M CA 2.008 57.277 55.300 -0.052 0.000 1.122 739 M CB -0.727 31.917 32.600 0.073 0.000 1.365 739 M HN 0.305 nan 8.290 nan 0.000 0.411 740 A N 0.152 122.765 122.820 -0.344 0.000 1.883 740 A HA -0.213 4.037 4.320 -0.117 0.000 0.217 740 A C 2.173 179.567 177.584 -0.316 0.000 1.186 740 A CA 2.054 53.884 52.037 -0.346 0.000 0.624 740 A CB -0.747 18.001 19.000 -0.421 0.000 0.822 740 A HN 0.588 nan 8.150 nan 0.000 0.444 741 K N -1.189 118.762 120.400 -0.748 0.000 2.113 741 K HA -0.156 4.094 4.320 -0.117 0.000 0.208 741 K C 1.688 178.128 176.600 -0.266 0.000 1.047 741 K CA 1.759 57.564 56.287 -0.804 0.000 0.928 741 K CB -0.406 31.182 32.500 -1.520 0.000 0.716 741 K HN 0.638 nan 8.250 nan 0.000 0.446 742 F N -1.027 118.806 119.950 -0.196 0.000 2.206 742 F HA -0.157 4.300 4.527 -0.117 0.000 0.298 742 F C 2.073 177.725 175.800 -0.247 0.000 1.090 742 F CA 0.319 58.194 58.000 -0.209 0.000 1.323 742 F CB -0.266 38.544 39.000 -0.317 0.000 1.028 742 F HN 0.107 nan 8.300 nan 0.000 0.492 743 W N -0.052 121.297 121.300 0.083 0.000 2.363 743 W HA -0.197 4.392 4.660 -0.117 0.000 0.296 743 W C 2.283 178.821 176.519 0.031 0.000 1.212 743 W CA 0.485 57.853 57.345 0.039 0.000 1.260 743 W CB -0.549 28.899 29.460 -0.020 0.000 1.131 743 W HN -0.014 nan 8.180 nan 0.000 0.530 744 L N 0.632 122.011 121.223 0.261 0.000 2.093 744 L HA 0.067 4.337 4.340 -0.117 0.000 0.208 744 L C 2.270 179.218 176.870 0.129 0.000 1.085 744 L CA 2.468 57.441 54.840 0.222 0.000 0.755 744 L CB -1.409 40.881 42.059 0.385 0.000 0.904 744 L HN -0.006 nan 8.230 nan 0.000 0.435 745 G N -1.128 107.787 108.800 0.192 0.000 2.421 745 G HA2 -0.242 3.647 3.960 -0.117 0.000 0.216 745 G HA3 -0.242 3.647 3.960 -0.117 0.000 0.216 745 G C 1.666 176.583 174.900 0.027 0.000 1.171 745 G CA 0.958 46.134 45.100 0.127 0.000 0.775 745 G HN 0.314 nan 8.290 nan 0.000 0.543 746 V N 1.254 121.159 119.914 -0.015 0.000 2.407 746 V HA -0.035 4.015 4.120 -0.117 0.000 0.248 746 V C 3.175 179.247 176.094 -0.037 0.000 1.055 746 V CA 2.416 64.688 62.300 -0.046 0.000 1.049 746 V CB -0.512 31.232 31.823 -0.131 0.000 0.662 746 V HN 0.444 nan 8.190 nan 0.000 0.455 747 A N -0.943 121.820 122.820 -0.095 0.000 1.898 747 A HA -0.238 4.012 4.320 -0.117 0.000 0.216 747 A C 2.247 179.585 177.584 -0.409 0.000 1.181 747 A CA 1.822 53.702 52.037 -0.261 0.000 0.620 747 A CB -0.613 18.120 19.000 -0.444 0.000 0.819 747 A HN 0.668 nan 8.150 nan 0.000 0.442 748 E N 0.003 119.921 120.200 -0.470 0.000 2.077 748 E HA -0.153 4.127 4.350 -0.117 0.000 0.193 748 E C 2.149 178.849 176.600 0.167 0.000 0.989 748 E CA 1.381 57.661 56.400 -0.200 0.000 0.800 748 E CB -0.069 29.595 29.700 -0.060 0.000 0.746 748 E HN 0.564 nan 8.360 nan 0.000 0.452 749 S N 0.780 116.579 115.700 0.164 0.000 2.356 749 S HA -0.147 4.252 4.470 -0.117 0.000 0.223 749 S C 1.676 176.433 174.600 0.262 0.000 1.032 749 S CA 1.523 59.919 58.200 0.327 0.000 1.005 749 S CB -0.375 62.992 63.200 0.279 0.000 0.867 749 S HN 0.322 nan 8.310 nan 0.000 0.449 750 N N 0.691 119.474 118.700 0.138 0.000 2.142 750 N HA 0.006 4.676 4.740 -0.117 0.000 0.186 750 N C 1.453 177.083 175.510 0.200 0.000 1.023 750 N CA 1.041 54.137 53.050 0.076 0.000 0.852 750 N CB -0.331 38.115 38.487 -0.070 0.000 0.998 750 N HN 0.384 nan 8.380 nan 0.000 0.424 751 F N 1.139 121.175 119.950 0.144 0.000 2.102 751 F HA -0.225 4.233 4.527 -0.116 0.000 0.298 751 F C 2.662 178.648 175.800 0.309 0.000 1.105 751 F CA 1.565 59.788 58.000 0.372 0.000 1.239 751 F CB -0.304 38.995 39.000 0.499 0.000 0.991 751 F HN 0.237 nan 8.300 nan 0.000 0.474 752 H N 0.214 119.599 119.070 0.525 0.000 2.293 752 H HA -0.179 4.307 4.556 -0.117 0.000 0.300 752 H C 2.050 177.498 175.328 0.200 0.000 1.082 752 H CA 2.244 58.494 56.048 0.337 0.000 1.308 752 H CB -0.473 29.416 29.762 0.211 0.000 1.375 752 H HN 0.412 nan 8.280 nan 0.000 0.495 753 Q N 0.059 119.823 119.800 -0.060 0.000 2.084 753 Q HA -0.078 4.191 4.340 -0.117 0.000 0.202 753 Q C 2.788 178.722 176.000 -0.111 0.000 0.978 753 Q CA 1.620 57.334 55.803 -0.148 0.000 0.844 753 Q CB 0.238 28.977 28.738 0.002 0.000 0.898 753 Q HN 0.481 nan 8.270 nan 0.000 0.426 754 L N -0.384 120.833 121.223 -0.009 0.000 2.202 754 L HA -0.022 4.247 4.340 -0.117 0.000 0.205 754 L C 2.061 178.852 176.870 -0.132 0.000 1.083 754 L CA 0.530 55.364 54.840 -0.010 0.000 0.790 754 L CB -0.197 42.013 42.059 0.251 0.000 0.942 754 L HN 0.206 nan 8.230 nan 0.000 0.452 755 N N -0.373 118.225 118.700 -0.170 0.000 2.319 755 N HA -0.088 4.582 4.740 -0.117 0.000 0.189 755 N C 1.749 177.081 175.510 -0.295 0.000 1.042 755 N CA 1.754 54.581 53.050 -0.372 0.000 0.879 755 N CB -0.123 37.915 38.487 -0.749 0.000 1.052 755 N HN -0.063 nan 8.380 nan 0.000 0.446 756 T N -0.295 114.112 114.554 -0.246 0.000 2.777 756 T HA -0.108 4.172 4.350 -0.117 0.000 0.266 756 T C 1.543 176.225 174.700 -0.031 0.000 1.040 756 T CA 1.283 63.335 62.100 -0.080 0.000 1.141 756 T CB -0.365 68.566 68.868 0.105 0.000 0.868 756 T HN 0.402 nan 8.240 nan 0.000 0.444 757 H N -0.203 118.727 119.070 -0.233 0.000 2.283 757 H HA 0.133 4.619 4.556 -0.117 0.000 0.320 757 H C 2.337 177.618 175.328 -0.078 0.000 1.074 757 H CA 0.628 56.583 56.048 -0.155 0.000 1.476 757 H CB -0.267 29.302 29.762 -0.320 0.000 1.465 757 H HN 0.146 nan 8.280 nan 0.000 0.573 758 L N 1.103 122.018 121.223 -0.514 0.000 1.989 758 L HA -0.143 4.127 4.340 -0.117 0.000 0.211 758 L C 2.468 179.074 176.870 -0.441 0.000 1.071 758 L CA 1.434 55.843 54.840 -0.718 0.000 0.749 758 L CB -1.011 40.567 42.059 -0.802 0.000 0.890 758 L HN 0.395 nan 8.230 nan 0.000 0.431 759 L N -0.333 120.688 121.223 -0.337 0.000 2.023 759 L HA -0.097 4.173 4.340 -0.117 0.000 0.205 759 L C 2.541 179.322 176.870 -0.149 0.000 1.073 759 L CA 1.721 56.398 54.840 -0.271 0.000 0.745 759 L CB -0.541 41.356 42.059 -0.268 0.000 0.900 759 L HN 0.229 nan 8.230 nan 0.000 0.435 760 R N -1.418 119.019 120.500 -0.106 0.000 2.310 760 R HA 0.052 4.322 4.340 -0.117 0.000 0.202 760 R C 1.326 177.688 176.300 0.102 0.000 0.933 760 R CA 0.897 56.986 56.100 -0.018 0.000 1.054 760 R CB -0.127 30.088 30.300 -0.141 0.000 0.985 760 R HN 0.642 nan 8.270 nan 0.000 0.489 761 T N -3.414 111.194 114.554 0.089 0.000 3.479 761 T HA 0.066 4.346 4.350 -0.117 0.000 0.197 761 T C 1.560 176.308 174.700 0.079 0.000 0.912 761 T CA -0.283 61.903 62.100 0.144 0.000 1.281 761 T CB -0.403 68.616 68.868 0.251 0.000 1.588 761 T HN 0.016 nan 8.240 nan 0.000 0.389 762 H N 1.736 120.785 119.070 -0.034 0.000 2.314 762 H HA -0.112 4.373 4.556 -0.119 0.000 0.288 762 H C 2.319 177.641 175.328 -0.010 0.000 1.091 762 H CA 2.495 58.511 56.048 -0.054 0.000 1.155 762 H CB -0.646 28.969 29.762 -0.244 0.000 1.362 762 H HN 0.249 nan 8.280 nan 0.000 0.530 763 L N 0.390 121.625 121.223 0.020 0.000 2.109 763 L HA -0.122 4.148 4.340 -0.117 0.000 0.207 763 L C 2.960 179.834 176.870 0.007 0.000 1.086 763 L CA 1.631 56.448 54.840 -0.037 0.000 0.760 763 L CB -0.628 41.301 42.059 -0.218 0.000 0.910 763 L HN 0.473 nan 8.230 nan 0.000 0.437 764 T N -4.021 110.538 114.554 0.008 0.000 2.857 764 T HA -0.143 4.137 4.350 -0.117 0.000 0.266 764 T C 1.846 176.888 174.700 0.571 0.000 1.048 764 T CA 1.422 63.614 62.100 0.154 0.000 1.139 764 T CB -0.779 68.042 68.868 -0.078 0.000 0.874 764 T HN 0.421 nan 8.240 nan 0.000 0.455 765 T N -0.206 114.563 114.554 0.358 0.000 3.023 765 T HA 0.072 4.351 4.350 -0.117 0.000 0.266 765 T C 1.805 176.752 174.700 0.412 0.000 1.093 765 T CA 1.009 63.267 62.100 0.264 0.000 1.129 765 T CB -0.429 68.227 68.868 -0.354 0.000 0.899 765 T HN 0.562 nan 8.240 nan 0.000 0.491 766 E N 1.378 121.792 120.200 0.358 0.000 2.130 766 E HA -0.187 4.093 4.350 -0.117 0.000 0.196 766 E C 2.135 178.921 176.600 0.310 0.000 0.998 766 E CA 1.496 58.092 56.400 0.326 0.000 0.806 766 E CB -0.296 29.539 29.700 0.224 0.000 0.738 766 E HN 0.613 nan 8.360 nan 0.000 0.459 767 S N -0.118 115.798 115.700 0.361 0.000 2.370 767 S HA -0.149 4.251 4.470 -0.117 0.000 0.226 767 S C 1.551 176.237 174.600 0.142 0.000 1.033 767 S CA 1.218 59.624 58.200 0.342 0.000 1.011 767 S CB -0.383 63.056 63.200 0.398 0.000 0.852 767 S HN 0.298 nan 8.310 nan 0.000 0.457 768 F N 1.760 121.781 119.950 0.118 0.000 2.186 768 F HA 0.002 4.458 4.527 -0.118 0.000 0.299 768 F C 2.559 178.508 175.800 0.248 0.000 1.090 768 F CA 0.734 58.758 58.000 0.041 0.000 1.307 768 F CB -0.581 38.441 39.000 0.038 0.000 1.019 768 F HN 0.175 nan 8.300 nan 0.000 0.489 769 A N -0.225 122.916 122.820 0.535 0.000 1.902 769 A HA -0.174 4.075 4.320 -0.117 0.000 0.217 769 A C 2.061 179.822 177.584 0.294 0.000 1.181 769 A CA 1.528 53.824 52.037 0.431 0.000 0.623 769 A CB -0.984 18.254 19.000 0.396 0.000 0.818 769 A HN 0.355 nan 8.150 nan 0.000 0.443 770 L N -0.561 120.744 121.223 0.137 0.000 2.093 770 L HA -0.033 4.237 4.340 -0.117 0.000 0.208 770 L C 2.554 179.362 176.870 -0.102 0.000 1.085 770 L CA 2.331 57.131 54.840 -0.067 0.000 0.755 770 L CB -0.578 41.235 42.059 -0.409 0.000 0.904 770 L HN 0.314 nan 8.230 nan 0.000 0.435 771 S N -1.620 114.043 115.700 -0.061 0.000 2.402 771 S HA -0.178 4.221 4.470 -0.117 0.000 0.229 771 S C 1.869 176.648 174.600 0.299 0.000 1.021 771 S CA 1.657 59.867 58.200 0.016 0.000 0.974 771 S CB -0.377 62.678 63.200 -0.243 0.000 0.800 771 S HN 0.660 nan 8.310 nan 0.000 0.484 772 T N 0.347 115.160 114.554 0.432 0.000 2.684 772 T HA -0.147 4.133 4.350 -0.117 0.000 0.267 772 T C 1.206 175.948 174.700 0.070 0.000 1.036 772 T CA 1.703 64.008 62.100 0.343 0.000 1.148 772 T CB -0.519 68.423 68.868 0.124 0.000 0.863 772 T HN 0.638 nan 8.240 nan 0.000 0.436 773 W N 1.410 122.691 121.300 -0.032 0.000 2.402 773 W HA 0.072 4.676 4.660 -0.093 0.000 0.286 773 W C 2.708 179.089 176.519 -0.230 0.000 1.221 773 W CA 0.308 57.471 57.345 -0.303 0.000 1.257 773 W CB -0.158 28.643 29.460 -1.098 0.000 1.120 773 W HN 0.101 nan 8.180 nan 0.000 0.551 774 R N -0.225 120.324 120.500 0.081 0.000 2.115 774 R HA -0.060 4.210 4.340 -0.117 0.000 0.226 774 R C 1.315 177.697 176.300 0.137 0.000 1.100 774 R CA 1.230 57.395 56.100 0.107 0.000 0.980 774 R CB -0.236 30.096 30.300 0.053 0.000 0.875 774 R HN 0.232 nan 8.270 nan 0.000 0.445 775 N N -0.761 118.038 118.700 0.166 0.000 2.239 775 N HA 0.114 4.783 4.740 -0.117 0.000 0.208 775 N C -0.296 175.271 175.510 0.096 0.000 1.200 775 N CA 0.138 53.294 53.050 0.176 0.000 0.895 775 N CB 1.209 39.864 38.487 0.280 0.000 1.085 775 N HN 0.031 nan 8.380 nan 0.000 0.500 776 L N 1.562 122.803 121.223 0.029 0.000 2.287 776 L HA 0.565 4.835 4.340 -0.117 0.000 0.287 776 L C 0.352 177.101 176.870 -0.202 0.000 1.022 776 L CA -0.742 54.025 54.840 -0.121 0.000 0.814 776 L CB 1.646 43.571 42.059 -0.224 0.000 1.217 776 L HN -0.080 nan 8.230 nan 0.000 0.420 777 A N 1.955 124.675 122.820 -0.166 0.000 2.406 777 A HA 0.237 4.487 4.320 -0.117 0.000 0.243 777 A C 1.328 178.548 177.584 -0.608 0.000 1.082 777 A CA 0.264 52.138 52.037 -0.272 0.000 0.786 777 A CB 0.446 19.395 19.000 -0.085 0.000 1.029 777 A HN 0.908 nan 8.150 nan 0.000 0.495 778 S N 0.815 116.040 115.700 -0.791 0.000 2.419 778 S HA -0.096 4.304 4.470 -0.117 0.000 0.235 778 S C 1.637 175.990 174.600 -0.411 0.000 1.019 778 S CA 1.331 58.938 58.200 -0.988 0.000 0.982 778 S CB -0.539 62.287 63.200 -0.624 0.000 0.789 778 S HN 1.387 nan 8.310 nan 0.000 0.490 779 A N 0.591 123.284 122.820 -0.211 0.000 2.206 779 A HA 0.164 4.414 4.320 -0.117 0.000 0.211 779 A C 0.878 178.361 177.584 -0.167 0.000 1.158 779 A CA 0.211 52.197 52.037 -0.086 0.000 0.761 779 A CB -0.811 18.254 19.000 0.109 0.000 0.801 779 A HN 0.722 nan 8.150 nan 0.000 0.473 780 H N 0.375 119.293 119.070 -0.254 0.000 2.683 780 H HA 0.204 4.690 4.556 -0.117 0.000 0.339 780 H C -1.394 173.705 175.328 -0.382 0.000 1.081 780 H CA -1.284 54.594 56.048 -0.284 0.000 1.432 780 H CB 1.277 30.916 29.762 -0.206 0.000 1.462 780 H HN 0.029 nan 8.280 nan 0.000 0.557 781 P HA -0.174 nan 4.420 nan 0.000 0.220 781 P C 1.018 178.177 177.300 -0.234 0.000 1.148 781 P CA 1.010 63.728 63.100 -0.638 0.000 0.803 781 P CB 0.456 31.370 31.700 -1.309 0.000 0.782 782 I N -1.855 118.781 120.570 0.110 0.000 2.876 782 I HA -0.071 4.029 4.170 -0.117 0.000 0.264 782 I C 2.279 178.238 176.117 -0.262 0.000 1.204 782 I CA 0.449 61.697 61.300 -0.088 0.000 1.485 782 I CB -1.514 36.367 38.000 -0.200 0.000 1.103 782 I HN -0.136 nan 8.210 nan 0.000 0.446 783 F N 2.665 122.396 119.950 -0.365 0.000 2.102 783 F HA -0.213 4.241 4.527 -0.121 0.000 0.298 783 F C 2.456 177.973 175.800 -0.472 0.000 1.105 783 F CA 1.854 59.589 58.000 -0.443 0.000 1.239 783 F CB -0.128 38.624 39.000 -0.413 0.000 0.991 783 F HN -0.101 nan 8.300 nan 0.000 0.474 784 K N -0.036 120.101 120.400 -0.438 0.000 2.063 784 K HA -0.202 4.048 4.320 -0.117 0.000 0.208 784 K C 1.963 178.131 176.600 -0.719 0.000 1.048 784 K CA 1.670 57.444 56.287 -0.856 0.000 0.928 784 K CB -0.618 30.903 32.500 -1.632 0.000 0.713 784 K HN 0.293 nan 8.250 nan 0.000 0.442 785 L N 1.136 122.165 121.223 -0.323 0.000 2.046 785 L HA -0.147 4.123 4.340 -0.117 0.000 0.208 785 L C 1.819 178.662 176.870 -0.044 0.000 1.077 785 L CA 1.621 56.507 54.840 0.076 0.000 0.747 785 L CB -0.125 41.996 42.059 0.102 0.000 0.896 785 L HN 0.136 nan 8.230 nan 0.000 0.432 786 L N -1.333 119.756 121.223 -0.223 0.000 2.307 786 L HA -0.070 4.199 4.340 -0.117 0.000 0.211 786 L C 2.497 179.190 176.870 -0.294 0.000 1.099 786 L CA 0.760 55.502 54.840 -0.162 0.000 0.816 786 L CB -0.396 41.530 42.059 -0.222 0.000 0.952 786 L HN 0.436 nan 8.230 nan 0.000 0.455 787 Q N 1.135 120.604 119.800 -0.552 0.000 2.096 787 Q HA -0.207 4.062 4.340 -0.117 0.000 0.208 787 Q C -0.692 175.137 176.000 -0.285 0.000 0.993 787 Q CA 2.276 57.738 55.803 -0.569 0.000 0.862 787 Q CB -0.648 27.685 28.738 -0.675 0.000 0.915 787 Q HN 0.303 nan 8.270 nan 0.000 0.416 788 P HA -0.143 nan 4.420 nan 0.000 0.223 788 P C 0.394 177.516 177.300 -0.296 0.000 1.151 788 P CA 1.283 64.223 63.100 -0.266 0.000 0.787 788 P CB -0.032 31.508 31.700 -0.267 0.000 0.788 789 H N -0.111 118.924 119.070 -0.058 0.000 2.520 789 H HA 0.150 4.636 4.556 -0.117 0.000 0.279 789 H C 2.058 177.006 175.328 -0.634 0.000 0.990 789 H CA 0.760 56.722 56.048 -0.143 0.000 1.288 789 H CB -0.007 29.767 29.762 0.020 0.000 1.446 789 H HN 0.266 nan 8.280 nan 0.000 0.538 790 I N -1.850 118.431 120.570 -0.482 0.000 3.578 790 I HA 0.016 4.116 4.170 -0.117 0.000 0.295 790 I C 0.838 176.828 176.117 -0.212 0.000 1.280 790 I CA -0.243 60.670 61.300 -0.644 0.000 1.347 790 I CB -0.514 37.348 38.000 -0.231 0.000 1.051 790 I HN -0.146 nan 8.210 nan 0.000 0.460 791 Y N 3.506 123.715 120.300 -0.151 0.000 2.712 791 Y HA 0.329 4.809 4.550 -0.118 0.000 0.333 791 Y C 1.328 177.261 175.900 0.055 0.000 1.225 791 Y CA 1.105 59.217 58.100 0.020 0.000 1.499 791 Y CB 0.487 38.961 38.460 0.022 0.000 1.288 791 Y HN 0.418 nan 8.280 nan 0.000 0.575 792 G N 3.326 111.716 108.800 -0.683 0.000 2.308 792 G HA2 -0.352 3.537 3.960 -0.117 0.000 0.221 792 G HA3 -0.352 3.537 3.960 -0.117 0.000 0.221 792 G C 0.799 175.641 174.900 -0.095 0.000 1.032 792 G CA 0.344 45.159 45.100 -0.475 0.000 0.623 792 G HN 0.979 nan 8.290 nan 0.000 0.506 793 V N 1.739 121.629 119.914 -0.039 0.000 2.358 793 V HA 0.052 4.102 4.120 -0.117 0.000 0.246 793 V C 2.801 178.941 176.094 0.076 0.000 1.047 793 V CA 2.741 65.086 62.300 0.075 0.000 1.035 793 V CB -0.284 31.658 31.823 0.200 0.000 0.658 793 V HN 0.503 nan 8.190 nan 0.000 0.452 794 L N -0.084 121.157 121.223 0.030 0.000 2.046 794 L HA -0.104 4.166 4.340 -0.117 0.000 0.208 794 L C 2.743 179.554 176.870 -0.098 0.000 1.077 794 L CA 1.622 56.460 54.840 -0.003 0.000 0.747 794 L CB -0.874 41.178 42.059 -0.010 0.000 0.896 794 L HN 0.420 nan 8.230 nan 0.000 0.432 795 A N 0.152 122.858 122.820 -0.189 0.000 1.841 795 A HA -0.222 4.028 4.320 -0.117 0.000 0.214 795 A C 2.196 179.488 177.584 -0.486 0.000 1.195 795 A CA 1.748 53.567 52.037 -0.364 0.000 0.611 795 A CB -0.668 18.004 19.000 -0.546 0.000 0.835 795 A HN 0.298 nan 8.150 nan 0.000 0.443 796 I N 0.236 120.564 120.570 -0.403 0.000 2.394 796 I HA -0.151 3.949 4.170 -0.117 0.000 0.251 796 I C 1.098 177.175 176.117 -0.067 0.000 1.136 796 I CA 1.669 62.808 61.300 -0.269 0.000 1.425 796 I CB -0.396 37.700 38.000 0.159 0.000 1.079 796 I HN 0.238 nan 8.210 nan 0.000 0.425 797 D N -0.401 120.055 120.400 0.093 0.000 2.183 797 D HA -0.096 4.473 4.640 -0.117 0.000 0.203 797 D C 2.163 178.460 176.300 -0.005 0.000 0.969 797 D CA 1.407 55.553 54.000 0.243 0.000 0.842 797 D CB -0.230 40.759 40.800 0.315 0.000 0.957 797 D HN 0.302 nan 8.370 nan 0.000 0.484 798 T N 0.684 115.175 114.554 -0.105 0.000 2.812 798 T HA 0.003 4.283 4.350 -0.117 0.000 0.264 798 T C 2.185 176.749 174.700 -0.227 0.000 1.042 798 T CA 0.403 62.414 62.100 -0.147 0.000 1.140 798 T CB -0.068 68.712 68.868 -0.147 0.000 0.870 798 T HN 0.128 nan 8.240 nan 0.000 0.445 799 I N 1.272 121.661 120.570 -0.301 0.000 2.179 799 I HA -0.120 3.980 4.170 -0.117 0.000 0.242 799 I C 2.887 178.712 176.117 -0.486 0.000 1.088 799 I CA 1.400 62.472 61.300 -0.379 0.000 1.357 799 I CB -0.671 36.995 38.000 -0.556 0.000 1.051 799 I HN 0.307 nan 8.210 nan 0.000 0.409 800 G N 0.333 108.697 108.800 -0.727 0.000 2.432 800 G HA2 -0.201 3.689 3.960 -0.117 0.000 0.219 800 G HA3 -0.201 3.689 3.960 -0.117 0.000 0.219 800 G C 1.817 175.722 174.900 -1.660 0.000 1.135 800 G CA 0.315 44.497 45.100 -1.530 0.000 0.767 800 G HN 0.292 nan 8.290 nan 0.000 0.550 801 R N 0.187 120.104 120.500 -0.972 0.000 2.148 801 R HA 0.064 4.334 4.340 -0.117 0.000 0.223 801 R C 2.971 179.047 176.300 -0.373 0.000 1.088 801 R CA 1.492 57.258 56.100 -0.557 0.000 0.985 801 R CB -0.072 30.124 30.300 -0.173 0.000 0.880 801 R HN 0.450 nan 8.270 nan 0.000 0.451 802 K N 0.873 121.071 120.400 -0.338 0.000 2.166 802 K HA 0.005 4.255 4.320 -0.117 0.000 0.201 802 K C 1.500 177.985 176.600 -0.192 0.000 1.052 802 K CA 1.026 57.192 56.287 -0.202 0.000 0.969 802 K CB 0.106 32.517 32.500 -0.148 0.000 0.761 802 K HN 0.271 nan 8.250 nan 0.000 0.459 803 E N -1.292 118.755 120.200 -0.255 0.000 2.508 803 E HA 0.316 4.596 4.350 -0.117 0.000 0.217 803 E C 1.549 178.065 176.600 -0.139 0.000 0.896 803 E CA 0.102 56.418 56.400 -0.139 0.000 1.118 803 E CB 0.600 30.280 29.700 -0.032 0.000 1.133 803 E HN 0.342 nan 8.360 nan 0.000 0.526 804 L N -0.948 120.094 121.223 -0.303 0.000 2.590 804 L HA 0.173 4.443 4.340 -0.117 0.000 0.181 804 L C 1.516 178.373 176.870 -0.022 0.000 1.134 804 L CA 0.257 55.004 54.840 -0.155 0.000 0.850 804 L CB -0.003 41.962 42.059 -0.156 0.000 1.172 804 L HN 0.242 nan 8.230 nan 0.000 0.498 805 W N 0.236 121.536 121.300 -0.001 0.000 2.862 805 W HA 0.588 5.179 4.660 -0.114 0.000 0.376 805 W C 0.587 177.191 176.519 0.142 0.000 1.028 805 W CA -0.633 56.736 57.345 0.040 0.000 1.757 805 W CB -1.009 28.472 29.460 0.035 0.000 1.128 805 W HN -0.108 nan 8.180 nan 0.000 0.566 806 G N 1.159 109.930 108.800 -0.048 0.000 2.621 806 G HA2 0.269 4.159 3.960 -0.117 0.000 0.271 806 G HA3 0.269 4.159 3.960 -0.117 0.000 0.271 806 G C -0.147 174.815 174.900 0.104 0.000 1.236 806 G CA -0.271 44.844 45.100 0.026 0.000 0.958 806 G HN 0.159 nan 8.290 nan 0.000 0.512 807 S N -0.843 114.915 115.700 0.096 0.000 2.498 807 S HA 0.425 4.824 4.470 -0.117 0.000 0.281 807 S C 1.466 176.098 174.600 0.054 0.000 1.265 807 S CA 0.864 59.128 58.200 0.107 0.000 1.071 807 S CB -0.058 63.193 63.200 0.085 0.000 0.894 807 S HN 2.296 nan 8.310 nan 0.000 0.491 808 G N 3.370 112.202 108.800 0.053 0.000 2.213 808 G HA2 -0.163 3.726 3.960 -0.117 0.000 0.236 808 G HA3 -0.163 3.726 3.960 -0.117 0.000 0.236 808 G C 0.647 175.545 174.900 -0.003 0.000 0.991 808 G CA 0.000 45.116 45.100 0.026 0.000 0.629 808 G HN 1.386 nan 8.290 nan 0.000 0.517 809 G N -0.119 108.675 108.800 -0.010 0.000 2.690 809 G HA2 0.400 4.289 3.960 -0.117 0.000 0.239 809 G HA3 0.400 4.289 3.960 -0.117 0.000 0.239 809 G C 1.200 176.084 174.900 -0.027 0.000 1.233 809 G CA 0.168 45.254 45.100 -0.024 0.000 0.847 809 G HN 0.490 nan 8.290 nan 0.000 0.588 810 I N 1.442 122.005 120.570 -0.013 0.000 2.530 810 I HA -0.137 3.962 4.170 -0.117 0.000 0.257 810 I C 2.583 178.678 176.117 -0.037 0.000 1.179 810 I CA 0.764 62.054 61.300 -0.017 0.000 1.440 810 I CB -0.361 37.647 38.000 0.013 0.000 1.087 810 I HN 0.192 nan 8.210 nan 0.000 0.440 811 V N 0.280 120.185 119.914 -0.016 0.000 2.548 811 V HA -0.187 3.863 4.120 -0.117 0.000 0.249 811 V C 2.040 178.060 176.094 -0.125 0.000 1.055 811 V CA 1.630 63.910 62.300 -0.034 0.000 1.065 811 V CB -0.641 31.226 31.823 0.073 0.000 0.681 811 V HN 0.272 nan 8.190 nan 0.000 0.462 812 D N -0.360 119.945 120.400 -0.157 0.000 2.310 812 D HA -0.121 4.449 4.640 -0.117 0.000 0.212 812 D C 2.225 178.427 176.300 -0.164 0.000 0.965 812 D CA 0.893 54.778 54.000 -0.193 0.000 0.879 812 D CB 0.033 40.766 40.800 -0.112 0.000 0.921 812 D HN 0.499 nan 8.370 nan 0.000 0.510 813 Q N -0.981 118.729 119.800 -0.151 0.000 2.408 813 Q HA 0.049 4.319 4.340 -0.117 0.000 0.205 813 Q C 1.535 177.416 176.000 -0.198 0.000 0.919 813 Q CA 0.539 56.230 55.803 -0.187 0.000 0.932 813 Q CB 0.535 29.193 28.738 -0.133 0.000 1.058 813 Q HN 0.184 nan 8.270 nan 0.000 0.517 814 S N -1.364 114.234 115.700 -0.170 0.000 2.578 814 S HA 0.215 4.615 4.470 -0.117 0.000 0.228 814 S C 0.113 174.612 174.600 -0.168 0.000 1.022 814 S CA -0.388 57.711 58.200 -0.168 0.000 0.967 814 S CB 0.511 63.617 63.200 -0.157 0.000 0.914 814 S HN -0.006 nan 8.310 nan 0.000 0.515 815 L N 1.921 123.052 121.223 -0.154 0.000 2.331 815 L HA 0.606 4.876 4.340 -0.117 0.000 0.275 815 L C 1.376 178.188 176.870 -0.096 0.000 1.022 815 L CA -0.072 54.696 54.840 -0.120 0.000 0.812 815 L CB 1.415 43.415 42.059 -0.098 0.000 1.257 815 L HN 0.079 nan 8.230 nan 0.000 0.435 816 S N 1.898 117.557 115.700 -0.069 0.000 2.387 816 S HA -0.140 4.259 4.470 -0.117 0.000 0.230 816 S C 1.439 176.046 174.600 0.011 0.000 1.035 816 S CA 1.333 59.515 58.200 -0.031 0.000 1.014 816 S CB -0.201 62.998 63.200 -0.002 0.000 0.836 816 S HN 0.436 nan 8.310 nan 0.000 0.466 817 L N 1.305 122.531 121.223 0.005 0.000 2.599 817 L HA 0.257 4.527 4.340 -0.117 0.000 0.230 817 L C 1.480 178.418 176.870 0.113 0.000 1.141 817 L CA -0.005 54.869 54.840 0.055 0.000 0.877 817 L CB -1.434 40.638 42.059 0.021 0.000 1.009 817 L HN 0.189 nan 8.230 nan 0.000 0.447 818 G N -1.424 107.391 108.800 0.025 0.000 2.732 818 G HA2 0.335 4.225 3.960 -0.117 0.000 0.244 818 G HA3 0.335 4.225 3.960 -0.117 0.000 0.244 818 G C 1.082 176.115 174.900 0.222 0.000 1.226 818 G CA 0.276 45.355 45.100 -0.036 0.000 0.860 818 G HN 0.480 nan 8.290 nan 0.000 0.583 819 G N -1.625 107.315 108.800 0.235 0.000 2.232 819 G HA2 0.235 4.125 3.960 -0.117 0.000 0.226 819 G HA3 0.235 4.125 3.960 -0.117 0.000 0.226 819 G C 1.304 176.328 174.900 0.207 0.000 0.996 819 G CA 0.990 46.224 45.100 0.224 0.000 0.626 819 G HN 2.537 nan 8.290 nan 0.000 0.509 820 G N -1.190 107.852 108.800 0.403 0.000 2.705 820 G HA2 0.235 4.125 3.960 -0.117 0.000 0.193 820 G HA3 0.235 4.125 3.960 -0.117 0.000 0.193 820 G C 1.789 176.753 174.900 0.106 0.000 1.015 820 G CA 1.188 46.410 45.100 0.202 0.000 0.743 820 G HN 1.738 nan 8.290 nan 0.000 0.476 821 G N 1.091 110.013 108.800 0.204 0.000 2.462 821 G HA2 -0.074 3.815 3.960 -0.117 0.000 0.220 821 G HA3 -0.074 3.815 3.960 -0.117 0.000 0.220 821 G C 1.488 176.505 174.900 0.196 0.000 1.121 821 G CA 2.070 47.264 45.100 0.158 0.000 0.758 821 G HN 0.881 nan 8.290 nan 0.000 0.559 822 H N 0.027 119.168 119.070 0.119 0.000 2.395 822 H HA 0.019 4.504 4.556 -0.118 0.000 0.299 822 H C 2.510 177.933 175.328 0.159 0.000 1.070 822 H CA 1.278 57.418 56.048 0.153 0.000 1.356 822 H CB -1.152 28.678 29.762 0.113 0.000 1.401 822 H HN 0.221 nan 8.280 nan 0.000 0.524 823 V N 1.815 121.452 119.914 -0.462 0.000 2.358 823 V HA -0.188 3.861 4.120 -0.117 0.000 0.246 823 V C 2.097 178.143 176.094 -0.080 0.000 1.047 823 V CA 2.495 64.632 62.300 -0.272 0.000 1.035 823 V CB -0.861 30.778 31.823 -0.307 0.000 0.658 823 V HN 0.489 nan 8.190 nan 0.000 0.452 824 T N 0.589 115.132 114.554 -0.017 0.000 2.788 824 T HA -0.162 4.118 4.350 -0.117 0.000 0.268 824 T C 1.554 176.308 174.700 0.091 0.000 1.044 824 T CA 2.146 64.271 62.100 0.041 0.000 1.139 824 T CB -0.464 68.445 68.868 0.069 0.000 0.867 824 T HN 0.658 nan 8.240 nan 0.000 0.454 825 F N 1.495 121.439 119.950 -0.009 0.000 2.163 825 F HA 0.107 4.564 4.527 -0.118 0.000 0.297 825 F C 2.135 177.920 175.800 -0.025 0.000 1.094 825 F CA 1.002 59.006 58.000 0.007 0.000 1.290 825 F CB -0.431 38.595 39.000 0.042 0.000 1.017 825 F HN 0.049 nan 8.300 nan 0.000 0.483 826 M N -0.051 119.447 119.600 -0.170 0.000 2.175 826 M HA -0.186 4.223 4.480 -0.117 0.000 0.264 826 M C 2.026 178.199 176.300 -0.212 0.000 1.063 826 M CA 1.739 56.866 55.300 -0.288 0.000 1.119 826 M CB -0.613 31.872 32.600 -0.191 0.000 1.377 826 M HN 0.169 nan 8.290 nan 0.000 0.415 827 E N 0.549 120.678 120.200 -0.118 0.000 2.058 827 E HA -0.255 4.025 4.350 -0.117 0.000 0.194 827 E C 2.004 178.548 176.600 -0.092 0.000 0.997 827 E CA 1.430 57.804 56.400 -0.043 0.000 0.801 827 E CB -0.186 29.508 29.700 -0.012 0.000 0.746 827 E HN 0.402 nan 8.360 nan 0.000 0.450 828 K N 0.568 120.883 120.400 -0.142 0.000 2.026 828 K HA -0.166 4.083 4.320 -0.117 0.000 0.208 828 K C 2.158 178.621 176.600 -0.228 0.000 1.048 828 K CA 1.616 57.807 56.287 -0.160 0.000 0.929 828 K CB -0.174 32.276 32.500 -0.083 0.000 0.713 828 K HN 0.168 nan 8.250 nan 0.000 0.439 829 C N 0.360 119.440 119.300 -0.366 0.000 2.425 829 C HA -0.077 4.313 4.460 -0.117 0.000 0.277 829 C C 2.378 177.252 174.990 -0.194 0.000 1.280 829 C CA 0.296 59.101 59.018 -0.355 0.000 1.744 829 C CB -1.076 26.315 27.740 -0.581 0.000 1.989 829 C HN 0.575 nan 8.230 nan 0.000 0.491 830 F N 2.080 121.842 119.950 -0.314 0.000 2.234 830 F HA -0.044 4.414 4.527 -0.115 0.000 0.299 830 F C 2.163 177.853 175.800 -0.182 0.000 1.087 830 F CA 1.397 59.222 58.000 -0.291 0.000 1.340 830 F CB -0.554 38.276 39.000 -0.285 0.000 1.031 830 F HN 0.128 nan 8.300 nan 0.000 0.500 831 K N -0.112 120.074 120.400 -0.357 0.000 2.218 831 K HA -0.168 4.082 4.320 -0.117 0.000 0.205 831 K C 1.288 177.753 176.600 -0.225 0.000 1.046 831 K CA 1.456 57.444 56.287 -0.497 0.000 0.933 831 K CB -0.094 32.097 32.500 -0.516 0.000 0.728 831 K HN 0.252 nan 8.250 nan 0.000 0.454 832 E N 0.107 120.206 120.200 -0.170 0.000 2.481 832 E HA 0.045 4.324 4.350 -0.117 0.000 0.198 832 E C -0.093 176.485 176.600 -0.037 0.000 1.027 832 E CA 0.031 56.378 56.400 -0.088 0.000 0.900 832 E CB 0.355 30.015 29.700 -0.067 0.000 0.993 832 E HN -0.056 nan 8.360 nan 0.000 0.482 833 V N 2.347 122.207 119.914 -0.091 0.000 2.572 833 V HA 0.049 4.099 4.120 -0.117 0.000 0.291 833 V C 0.190 176.380 176.094 0.159 0.000 1.039 833 V CA 0.049 62.325 62.300 -0.040 0.000 1.055 833 V CB 0.483 32.177 31.823 -0.215 0.000 0.969 833 V HN 0.109 nan 8.190 nan 0.000 0.482 834 N N 2.573 121.422 118.700 0.247 0.000 2.258 834 N HA 0.371 5.040 4.740 -0.117 0.000 0.299 834 N C 0.409 176.237 175.510 0.529 0.000 1.047 834 N CA -0.798 52.460 53.050 0.346 0.000 0.814 834 N CB 1.513 40.133 38.487 0.222 0.000 1.413 834 N HN 0.480 nan 8.380 nan 0.000 0.478 835 L N 2.070 123.642 121.223 0.581 0.000 2.189 835 L HA -0.093 4.177 4.340 -0.117 0.000 0.214 835 L C 1.730 178.892 176.870 0.486 0.000 1.097 835 L CA 1.775 56.928 54.840 0.521 0.000 0.764 835 L CB -0.405 41.822 42.059 0.281 0.000 0.900 835 L HN 0.720 nan 8.230 nan 0.000 0.436 836 Q N -0.458 119.555 119.800 0.355 0.000 2.364 836 Q HA -0.163 4.106 4.340 -0.117 0.000 0.207 836 Q C 1.531 177.704 176.000 0.289 0.000 0.970 836 Q CA 1.133 57.103 55.803 0.278 0.000 0.888 836 Q CB -0.269 28.563 28.738 0.156 0.000 0.951 836 Q HN 0.612 nan 8.270 nan 0.000 0.469 837 D N -0.727 119.877 120.400 0.341 0.000 2.263 837 D HA -0.144 4.426 4.640 -0.117 0.000 0.208 837 D C 0.961 177.355 176.300 0.156 0.000 0.971 837 D CA 0.879 54.997 54.000 0.197 0.000 0.867 837 D CB -0.143 40.719 40.800 0.104 0.000 0.929 837 D HN 0.367 nan 8.370 nan 0.000 0.492 838 Y N -0.738 119.700 120.300 0.231 0.000 2.466 838 Y HA 0.084 4.564 4.550 -0.117 0.000 0.272 838 Y C 0.649 176.686 175.900 0.229 0.000 1.169 838 Y CA -0.147 58.114 58.100 0.268 0.000 1.285 838 Y CB -0.377 38.266 38.460 0.305 0.000 1.078 838 Y HN 0.017 nan 8.280 nan 0.000 0.523 839 H N 0.646 119.798 119.070 0.136 0.000 2.761 839 H HA 0.170 4.655 4.556 -0.117 0.000 0.284 839 H C 1.106 176.074 175.328 -0.600 0.000 1.105 839 H CA -0.394 55.527 56.048 -0.212 0.000 1.352 839 H CB 0.646 30.379 29.762 -0.049 0.000 1.423 839 H HN 0.175 nan 8.280 nan 0.000 0.464 840 L N 7.285 127.758 121.223 -1.250 0.000 1.994 840 L HA 0.049 4.319 4.340 -0.117 0.000 0.208 840 L C -0.944 175.541 176.870 -0.643 0.000 1.071 840 L CA 1.404 55.739 54.840 -0.842 0.000 0.745 840 L CB -0.705 40.754 42.059 -1.001 0.000 0.892 840 L HN 0.599 nan 8.230 nan 0.000 0.431 841 P HA -0.151 nan 4.420 nan 0.000 0.215 841 P C 0.992 178.199 177.300 -0.155 0.000 1.153 841 P CA 1.913 64.768 63.100 -0.408 0.000 0.853 841 P CB -0.224 31.254 31.700 -0.370 0.000 0.788 842 N N -0.824 117.871 118.700 -0.010 0.000 2.120 842 N HA -0.121 4.549 4.740 -0.117 0.000 0.188 842 N C 1.747 177.215 175.510 -0.069 0.000 1.024 842 N CA 0.917 53.888 53.050 -0.131 0.000 0.852 842 N CB -0.389 37.886 38.487 -0.355 0.000 1.003 842 N HN 0.060 nan 8.380 nan 0.000 0.424 843 A N 1.372 124.164 122.820 -0.045 0.000 1.898 843 A HA -0.051 4.198 4.320 -0.117 0.000 0.216 843 A C 2.143 179.730 177.584 0.005 0.000 1.181 843 A CA 0.914 52.948 52.037 -0.004 0.000 0.620 843 A CB -0.629 18.381 19.000 0.016 0.000 0.819 843 A HN 0.150 nan 8.150 nan 0.000 0.442 844 L N -0.773 120.431 121.223 -0.032 0.000 2.093 844 L HA -0.178 4.092 4.340 -0.117 0.000 0.208 844 L C 2.603 179.483 176.870 0.017 0.000 1.085 844 L CA 1.830 56.672 54.840 0.005 0.000 0.755 844 L CB -0.474 41.545 42.059 -0.068 0.000 0.904 844 L HN 0.466 nan 8.230 nan 0.000 0.435 845 K N 1.138 121.526 120.400 -0.020 0.000 1.991 845 K HA -0.273 3.976 4.320 -0.117 0.000 0.212 845 K C 2.224 178.829 176.600 0.009 0.000 1.049 845 K CA 1.901 58.182 56.287 -0.010 0.000 0.932 845 K CB -0.045 32.434 32.500 -0.035 0.000 0.717 845 K HN -0.004 nan 8.250 nan 0.000 0.441 846 K N 0.565 120.967 120.400 0.002 0.000 2.113 846 K HA -0.172 4.078 4.320 -0.117 0.000 0.208 846 K C 1.894 178.515 176.600 0.035 0.000 1.047 846 K CA 1.643 57.938 56.287 0.014 0.000 0.928 846 K CB 0.017 32.523 32.500 0.011 0.000 0.716 846 K HN 0.130 nan 8.250 nan 0.000 0.446 847 R N -1.289 119.244 120.500 0.055 0.000 2.275 847 R HA 0.084 4.353 4.340 -0.117 0.000 0.199 847 R C 0.942 177.304 176.300 0.103 0.000 0.989 847 R CA 0.641 56.790 56.100 0.081 0.000 1.016 847 R CB 0.269 30.635 30.300 0.110 0.000 0.918 847 R HN 0.482 nan 8.270 nan 0.000 0.473 848 G N 0.723 109.580 108.800 0.094 0.000 2.137 848 G HA2 -0.248 3.641 3.960 -0.117 0.000 0.237 848 G HA3 -0.248 3.641 3.960 -0.117 0.000 0.237 848 G C 0.512 175.531 174.900 0.198 0.000 1.002 848 G CA 0.336 45.504 45.100 0.112 0.000 0.702 848 G HN 0.321 nan 8.290 nan 0.000 0.515 849 V N -1.914 118.113 119.914 0.187 0.000 3.319 849 V HA 0.394 4.444 4.120 -0.117 0.000 0.317 849 V C 1.238 177.451 176.094 0.198 0.000 1.411 849 V CA 0.995 63.433 62.300 0.231 0.000 1.112 849 V CB 0.689 32.687 31.823 0.291 0.000 1.031 849 V HN 0.349 nan 8.190 nan 0.000 0.448 850 D N -0.551 119.913 120.400 0.107 0.000 2.342 850 D HA 0.037 4.607 4.640 -0.117 0.000 0.221 850 D C 0.084 176.404 176.300 0.033 0.000 1.101 850 D CA 0.008 54.030 54.000 0.036 0.000 0.837 850 D CB 0.224 41.014 40.800 -0.017 0.000 0.938 850 D HN 0.484 nan 8.370 nan 0.000 0.508 851 D N 1.404 121.842 120.400 0.064 0.000 2.373 851 D HA 0.167 4.737 4.640 -0.117 0.000 0.227 851 D C -1.690 174.640 176.300 0.050 0.000 1.091 851 D CA -2.210 51.819 54.000 0.048 0.000 0.840 851 D CB 2.200 43.029 40.800 0.049 0.000 1.060 851 D HN -0.109 nan 8.370 nan 0.000 0.502 852 P HA -0.070 nan 4.420 nan 0.000 0.229 852 P C 1.051 178.373 177.300 0.037 0.000 1.160 852 P CA 0.527 63.647 63.100 0.034 0.000 0.777 852 P CB 0.171 31.887 31.700 0.027 0.000 0.814 853 S N -1.238 114.487 115.700 0.042 0.000 2.496 853 S HA 0.066 4.466 4.470 -0.117 0.000 0.224 853 S C 1.728 176.373 174.600 0.075 0.000 0.996 853 S CA 0.587 58.817 58.200 0.051 0.000 0.927 853 S CB -0.337 62.888 63.200 0.042 0.000 0.774 853 S HN 0.014 nan 8.310 nan 0.000 0.524 854 K N -0.011 120.433 120.400 0.072 0.000 2.313 854 K HA 0.440 4.690 4.320 -0.117 0.000 0.197 854 K C -0.175 176.510 176.600 0.142 0.000 1.061 854 K CA 0.148 56.497 56.287 0.103 0.000 0.980 854 K CB 0.329 32.862 32.500 0.054 0.000 0.888 854 K HN 0.341 nan 8.250 nan 0.000 0.502 855 L N 2.572 123.823 121.223 0.048 0.000 2.417 855 L HA 0.436 4.706 4.340 -0.117 0.000 0.259 855 L C -2.887 173.936 176.870 -0.079 0.000 1.023 855 L CA -2.228 52.550 54.840 -0.102 0.000 0.901 855 L CB 1.121 43.019 42.059 -0.268 0.000 1.227 855 L HN -0.102 nan 8.230 nan 0.000 0.454 856 P HA 0.412 nan 4.420 nan 0.000 0.284 856 P C 0.280 177.495 177.300 -0.141 0.000 1.292 856 P CA 0.079 63.147 63.100 -0.053 0.000 0.800 856 P CB 1.026 32.720 31.700 -0.009 0.000 1.188 857 G N -0.675 108.019 108.800 -0.176 0.000 2.273 857 G HA2 -0.241 3.649 3.960 -0.117 0.000 0.280 857 G HA3 -0.241 3.649 3.960 -0.117 0.000 0.280 857 G C -0.461 173.890 174.900 -0.915 0.000 1.047 857 G CA -0.259 44.539 45.100 -0.503 0.000 0.869 857 G HN 0.479 nan 8.290 nan 0.000 0.502 858 F N 1.355 120.781 119.950 -0.873 0.000 2.310 858 F HA 0.592 5.049 4.527 -0.117 0.000 0.365 858 F C 0.942 176.392 175.800 -0.582 0.000 1.080 858 F CA -2.673 54.930 58.000 -0.662 0.000 1.187 858 F CB 0.078 38.865 39.000 -0.355 0.000 1.465 858 F HN 0.196 nan 8.300 nan 0.000 0.496 859 Y N 2.750 123.011 120.300 -0.064 0.000 2.365 859 Y HA -0.200 4.280 4.550 -0.117 0.000 0.293 859 Y C 2.122 177.761 175.900 -0.436 0.000 1.119 859 Y CA 0.942 58.868 58.100 -0.290 0.000 1.203 859 Y CB -0.473 37.779 38.460 -0.347 0.000 1.026 859 Y HN 0.550 nan 8.280 nan 0.000 0.549 860 Y N 2.034 121.990 120.300 -0.573 0.000 2.114 860 Y HA -0.348 4.132 4.550 -0.118 0.000 0.282 860 Y C 2.722 178.444 175.900 -0.297 0.000 1.165 860 Y CA 2.016 59.975 58.100 -0.234 0.000 1.148 860 Y CB -0.459 37.992 38.460 -0.015 0.000 0.972 860 Y HN 0.009 nan 8.280 nan 0.000 0.504 861 R N 0.268 120.201 120.500 -0.946 0.000 2.082 861 R HA -0.193 4.077 4.340 -0.117 0.000 0.234 861 R C 1.751 177.760 176.300 -0.485 0.000 1.136 861 R CA 2.337 57.850 56.100 -0.979 0.000 0.935 861 R CB -0.582 28.898 30.300 -1.366 0.000 0.842 861 R HN 0.365 nan 8.270 nan 0.000 0.430 862 D N 0.453 120.675 120.400 -0.296 0.000 2.117 862 D HA -0.126 4.443 4.640 -0.117 0.000 0.198 862 D C 1.497 177.784 176.300 -0.022 0.000 0.982 862 D CA 1.281 55.221 54.000 -0.099 0.000 0.828 862 D CB -0.353 40.460 40.800 0.022 0.000 0.967 862 D HN 0.347 nan 8.370 nan 0.000 0.464 863 D N -0.026 120.389 120.400 0.025 0.000 2.162 863 D HA -0.020 4.550 4.640 -0.117 0.000 0.203 863 D C 2.206 178.578 176.300 0.120 0.000 0.967 863 D CA 1.091 55.165 54.000 0.123 0.000 0.840 863 D CB -0.648 40.305 40.800 0.255 0.000 0.972 863 D HN 0.236 nan 8.370 nan 0.000 0.482 864 G N 1.021 109.830 108.800 0.015 0.000 2.446 864 G HA2 -0.209 3.681 3.960 -0.117 0.000 0.217 864 G HA3 -0.209 3.681 3.960 -0.117 0.000 0.217 864 G C 1.738 176.704 174.900 0.110 0.000 1.168 864 G CA 0.364 45.514 45.100 0.083 0.000 0.771 864 G HN 0.240 nan 8.290 nan 0.000 0.551 865 L N 0.633 121.820 121.223 -0.060 0.000 2.083 865 L HA -0.032 4.237 4.340 -0.117 0.000 0.209 865 L C 3.394 180.334 176.870 0.117 0.000 1.083 865 L CA 0.940 55.769 54.840 -0.018 0.000 0.752 865 L CB -0.343 41.658 42.059 -0.098 0.000 0.899 865 L HN 0.314 nan 8.230 nan 0.000 0.433 866 A N 0.058 122.945 122.820 0.112 0.000 1.898 866 A HA -0.137 4.113 4.320 -0.117 0.000 0.216 866 A C 2.232 179.933 177.584 0.194 0.000 1.181 866 A CA 1.339 53.455 52.037 0.132 0.000 0.620 866 A CB -0.598 18.464 19.000 0.102 0.000 0.819 866 A HN 0.341 nan 8.150 nan 0.000 0.442 867 L N -1.743 119.632 121.223 0.253 0.000 2.056 867 L HA -0.174 4.096 4.340 -0.117 0.000 0.207 867 L C 2.588 179.688 176.870 0.383 0.000 1.078 867 L CA 1.167 56.198 54.840 0.319 0.000 0.749 867 L CB -0.531 41.752 42.059 0.372 0.000 0.901 867 L HN 0.763 nan 8.230 nan 0.000 0.433 868 W N 1.662 123.094 121.300 0.220 0.000 2.302 868 W HA -0.297 4.292 4.660 -0.117 0.000 0.320 868 W C 2.373 178.909 176.519 0.028 0.000 1.241 868 W CA 2.311 59.657 57.345 0.002 0.000 1.264 868 W CB -0.240 29.009 29.460 -0.351 0.000 1.154 868 W HN 0.291 nan 8.180 nan 0.000 0.483 869 E N 0.730 121.075 120.200 0.241 0.000 2.110 869 E HA -0.182 4.098 4.350 -0.117 0.000 0.193 869 E C 2.154 178.803 176.600 0.081 0.000 0.988 869 E CA 1.740 58.230 56.400 0.149 0.000 0.804 869 E CB -0.481 29.321 29.700 0.170 0.000 0.745 869 E HN 0.249 nan 8.360 nan 0.000 0.458 870 A N 1.011 123.923 122.820 0.153 0.000 1.898 870 A HA -0.112 4.138 4.320 -0.117 0.000 0.216 870 A C 2.374 180.076 177.584 0.197 0.000 1.181 870 A CA 1.237 53.416 52.037 0.236 0.000 0.620 870 A CB -0.573 18.621 19.000 0.323 0.000 0.819 870 A HN 0.290 nan 8.150 nan 0.000 0.442 871 I N -0.686 119.952 120.570 0.114 0.000 2.252 871 I HA -0.230 3.870 4.170 -0.117 0.000 0.245 871 I C 2.558 178.526 176.117 -0.249 0.000 1.102 871 I CA 1.616 62.856 61.300 -0.100 0.000 1.385 871 I CB -0.258 37.721 38.000 -0.034 0.000 1.064 871 I HN 0.514 nan 8.210 nan 0.000 0.414 872 E N 0.520 120.515 120.200 -0.341 0.000 2.085 872 E HA -0.235 4.045 4.350 -0.117 0.000 0.194 872 E C 2.060 178.553 176.600 -0.178 0.000 0.994 872 E CA 1.975 58.176 56.400 -0.332 0.000 0.801 872 E CB 0.057 29.539 29.700 -0.364 0.000 0.743 872 E HN 0.405 nan 8.360 nan 0.000 0.453 873 T N 0.734 115.235 114.554 -0.087 0.000 2.674 873 T HA -0.169 4.110 4.350 -0.117 0.000 0.265 873 T C 1.398 176.067 174.700 -0.053 0.000 1.039 873 T CA 1.366 63.446 62.100 -0.033 0.000 1.150 873 T CB -0.511 68.382 68.868 0.042 0.000 0.864 873 T HN 0.258 nan 8.240 nan 0.000 0.427 874 F N 1.881 121.675 119.950 -0.259 0.000 2.069 874 F HA -0.079 4.377 4.527 -0.118 0.000 0.298 874 F C 2.005 177.631 175.800 -0.290 0.000 1.113 874 F CA 0.942 58.726 58.000 -0.359 0.000 1.214 874 F CB -0.752 37.695 39.000 -0.922 0.000 0.978 874 F HN 0.108 nan 8.300 nan 0.000 0.474 875 I N 0.306 120.539 120.570 -0.562 0.000 2.208 875 I HA -0.256 3.844 4.170 -0.117 0.000 0.245 875 I C 2.758 178.652 176.117 -0.372 0.000 1.097 875 I CA 1.423 62.386 61.300 -0.562 0.000 1.363 875 I CB -1.373 36.409 38.000 -0.363 0.000 1.051 875 I HN 0.342 nan 8.210 nan 0.000 0.413 876 G N 0.403 109.049 108.800 -0.256 0.000 2.440 876 G HA2 -0.242 3.648 3.960 -0.117 0.000 0.218 876 G HA3 -0.242 3.648 3.960 -0.117 0.000 0.218 876 G C 1.520 176.325 174.900 -0.158 0.000 1.154 876 G CA 0.703 45.704 45.100 -0.166 0.000 0.767 876 G HN 0.433 nan 8.290 nan 0.000 0.552 877 E N -0.094 119.992 120.200 -0.190 0.000 2.072 877 E HA -0.054 4.225 4.350 -0.117 0.000 0.191 877 E C 2.554 179.029 176.600 -0.209 0.000 0.985 877 E CA 0.432 56.734 56.400 -0.163 0.000 0.801 877 E CB -0.065 29.566 29.700 -0.114 0.000 0.750 877 E HN 0.289 nan 8.360 nan 0.000 0.452 878 I N 1.302 121.661 120.570 -0.351 0.000 2.163 878 I HA -0.269 3.830 4.170 -0.117 0.000 0.243 878 I C 2.429 178.567 176.117 0.035 0.000 1.085 878 I CA 1.358 62.511 61.300 -0.246 0.000 1.347 878 I CB -0.873 36.862 38.000 -0.442 0.000 1.044 878 I HN 0.165 nan 8.210 nan 0.000 0.408 879 I N 1.060 121.625 120.570 -0.008 0.000 2.163 879 I HA -0.305 3.795 4.170 -0.117 0.000 0.243 879 I C 2.677 178.901 176.117 0.179 0.000 1.085 879 I CA 1.603 62.998 61.300 0.158 0.000 1.347 879 I CB -0.462 37.522 38.000 -0.028 0.000 1.044 879 I HN 0.144 nan 8.210 nan 0.000 0.408 880 A N 0.549 123.383 122.820 0.023 0.000 2.070 880 A HA -0.148 4.101 4.320 -0.117 0.000 0.220 880 A C 2.239 179.777 177.584 -0.075 0.000 1.159 880 A CA 1.358 53.391 52.037 -0.006 0.000 0.656 880 A CB -0.783 18.192 19.000 -0.042 0.000 0.800 880 A HN 0.439 nan 8.150 nan 0.000 0.453 881 I N -2.262 118.202 120.570 -0.177 0.000 2.286 881 I HA -0.190 3.910 4.170 -0.117 0.000 0.245 881 I C 1.994 177.769 176.117 -0.571 0.000 1.104 881 I CA 1.336 62.366 61.300 -0.450 0.000 1.397 881 I CB -0.211 37.347 38.000 -0.737 0.000 1.072 881 I HN 0.351 nan 8.210 nan 0.000 0.417 882 F N -1.237 118.663 119.950 -0.084 0.000 2.505 882 F HA 0.113 4.571 4.527 -0.115 0.000 0.289 882 F C 0.284 175.891 175.800 -0.321 0.000 1.101 882 F CA -0.081 57.778 58.000 -0.236 0.000 1.446 882 F CB 0.045 38.837 39.000 -0.347 0.000 1.123 882 F HN -0.163 nan 8.300 nan 0.000 0.564 883 Y N 0.975 121.338 120.300 0.105 0.000 2.369 883 Y HA 0.312 4.792 4.550 -0.118 0.000 0.337 883 Y C 0.993 176.919 175.900 0.043 0.000 0.961 883 Y CA -1.124 57.032 58.100 0.093 0.000 1.186 883 Y CB 0.903 39.408 38.460 0.076 0.000 1.139 883 Y HN -0.269 nan 8.280 nan 0.000 0.494 884 K N 1.995 122.495 120.400 0.167 0.000 2.418 884 K HA 0.062 4.312 4.320 -0.117 0.000 0.195 884 K C -0.384 176.268 176.600 0.087 0.000 1.035 884 K CA 0.415 56.756 56.287 0.089 0.000 1.003 884 K CB -0.383 32.151 32.500 0.057 0.000 0.793 884 K HN 0.903 nan 8.250 nan 0.000 0.494 885 N N -2.055 116.719 118.700 0.123 0.000 3.356 885 N HA 0.073 4.742 4.740 -0.117 0.000 0.246 885 N C -0.428 175.141 175.510 0.097 0.000 1.480 885 N CA -0.569 52.530 53.050 0.082 0.000 0.877 885 N CB 0.078 38.599 38.487 0.056 0.000 1.431 885 N HN -0.387 nan 8.380 nan 0.000 0.500 886 D N -0.542 119.894 120.400 0.059 0.000 2.178 886 D HA -0.111 4.458 4.640 -0.117 0.000 0.201 886 D C 0.761 177.103 176.300 0.070 0.000 0.980 886 D CA 1.289 55.321 54.000 0.053 0.000 0.842 886 D CB -0.223 40.599 40.800 0.037 0.000 0.948 886 D HN 0.728 nan 8.370 nan 0.000 0.472 887 D N 0.506 120.938 120.400 0.052 0.000 2.144 887 D HA -0.143 4.426 4.640 -0.117 0.000 0.199 887 D C 1.308 177.630 176.300 0.036 0.000 0.984 887 D CA 0.942 54.955 54.000 0.022 0.000 0.834 887 D CB 0.096 40.884 40.800 -0.019 0.000 0.955 887 D HN -0.075 nan 8.370 nan 0.000 0.465 888 D N -0.622 119.857 120.400 0.132 0.000 2.149 888 D HA -0.125 4.445 4.640 -0.117 0.000 0.198 888 D C 2.219 178.837 176.300 0.530 0.000 0.990 888 D CA 0.624 54.830 54.000 0.343 0.000 0.839 888 D CB -0.213 40.872 40.800 0.475 0.000 0.948 888 D HN 0.163 nan 8.370 nan 0.000 0.460 889 V N 0.989 121.133 119.914 0.383 0.000 2.270 889 V HA -0.228 3.822 4.120 -0.117 0.000 0.245 889 V C 2.328 178.571 176.094 0.248 0.000 1.043 889 V CA 1.532 63.973 62.300 0.236 0.000 1.014 889 V CB -0.365 31.432 31.823 -0.043 0.000 0.645 889 V HN 0.175 nan 8.190 nan 0.000 0.447 890 K N -0.056 120.442 120.400 0.163 0.000 2.103 890 K HA -0.183 4.067 4.320 -0.117 0.000 0.207 890 K C 2.260 178.928 176.600 0.113 0.000 1.048 890 K CA 1.556 57.917 56.287 0.123 0.000 0.930 890 K CB -0.238 32.299 32.500 0.060 0.000 0.716 890 K HN 0.378 nan 8.250 nan 0.000 0.444 891 R N 0.751 121.293 120.500 0.070 0.000 2.275 891 R HA -0.025 4.244 4.340 -0.117 0.000 0.199 891 R C 0.247 176.698 176.300 0.250 0.000 0.989 891 R CA 0.167 56.258 56.100 -0.015 0.000 1.016 891 R CB 0.039 30.072 30.300 -0.445 0.000 0.918 891 R HN 0.098 nan 8.270 nan 0.000 0.473 892 D N 0.515 121.197 120.400 0.469 0.000 2.359 892 D HA -0.042 4.528 4.640 -0.117 0.000 0.250 892 D C 0.442 176.962 176.300 0.367 0.000 1.264 892 D CA 0.097 54.437 54.000 0.566 0.000 0.911 892 D CB 0.487 41.665 40.800 0.630 0.000 1.056 892 D HN -0.085 nan 8.370 nan 0.000 0.499 893 N N 3.236 122.114 118.700 0.296 0.000 2.289 893 N HA -0.148 4.521 4.740 -0.117 0.000 0.184 893 N C 1.190 176.831 175.510 0.219 0.000 1.016 893 N CA 1.144 54.322 53.050 0.213 0.000 0.872 893 N CB 0.281 38.866 38.487 0.163 0.000 0.973 893 N HN 0.490 nan 8.380 nan 0.000 0.433 894 E N -0.353 119.987 120.200 0.233 0.000 2.046 894 E HA -0.131 4.149 4.350 -0.117 0.000 0.190 894 E C 1.660 178.376 176.600 0.193 0.000 0.982 894 E CA 0.808 57.316 56.400 0.180 0.000 0.800 894 E CB -0.034 29.751 29.700 0.141 0.000 0.756 894 E HN 0.350 nan 8.360 nan 0.000 0.449 895 I N 1.281 121.993 120.570 0.236 0.000 2.439 895 I HA -0.223 3.876 4.170 -0.117 0.000 0.251 895 I C 1.998 178.419 176.117 0.507 0.000 1.139 895 I CA 1.197 62.673 61.300 0.293 0.000 1.438 895 I CB 0.035 38.199 38.000 0.274 0.000 1.085 895 I HN -0.001 nan 8.210 nan 0.000 0.427 896 Q N -0.127 119.907 119.800 0.389 0.000 2.079 896 Q HA -0.091 4.178 4.340 -0.117 0.000 0.200 896 Q C 2.416 178.587 176.000 0.285 0.000 0.974 896 Q CA 1.768 57.759 55.803 0.313 0.000 0.840 896 Q CB -0.619 28.244 28.738 0.209 0.000 0.898 896 Q HN 0.451 nan 8.270 nan 0.000 0.430 897 S N 0.445 116.311 115.700 0.277 0.000 2.399 897 S HA -0.148 4.252 4.470 -0.117 0.000 0.231 897 S C 1.361 176.154 174.600 0.322 0.000 1.022 897 S CA 0.934 59.303 58.200 0.281 0.000 0.983 897 S CB -0.362 62.980 63.200 0.236 0.000 0.803 897 S HN 0.515 nan 8.310 nan 0.000 0.480 898 W N 1.798 123.188 121.300 0.150 0.000 2.354 898 W HA -0.101 4.487 4.660 -0.120 0.000 0.315 898 W C 1.837 178.424 176.519 0.113 0.000 1.206 898 W CA 0.964 58.388 57.345 0.131 0.000 1.290 898 W CB -0.467 29.065 29.460 0.120 0.000 1.152 898 W HN 0.233 nan 8.180 nan 0.000 0.489 899 I N -0.368 120.328 120.570 0.209 0.000 2.617 899 I HA -0.159 3.941 4.170 -0.117 0.000 0.256 899 I C 2.174 178.180 176.117 -0.186 0.000 1.167 899 I CA 1.347 62.536 61.300 -0.184 0.000 1.469 899 I CB -0.981 36.878 38.000 -0.236 0.000 1.098 899 I HN 0.187 nan 8.210 nan 0.000 0.436 900 Y N 0.777 121.014 120.300 -0.105 0.000 2.220 900 Y HA -0.203 4.277 4.550 -0.118 0.000 0.291 900 Y C 2.223 178.098 175.900 -0.042 0.000 1.129 900 Y CA 1.914 59.972 58.100 -0.070 0.000 1.161 900 Y CB -0.394 38.050 38.460 -0.026 0.000 0.997 900 Y HN 0.230 nan 8.280 nan 0.000 0.522 901 D N -0.486 119.878 120.400 -0.059 0.000 2.123 901 D HA -0.169 4.401 4.640 -0.117 0.000 0.196 901 D C 2.190 178.344 176.300 -0.243 0.000 0.992 901 D CA 1.603 55.571 54.000 -0.053 0.000 0.833 901 D CB -0.139 40.785 40.800 0.207 0.000 0.954 901 D HN 0.270 nan 8.370 nan 0.000 0.455 902 V N -0.221 119.453 119.914 -0.400 0.000 2.358 902 V HA -0.218 3.832 4.120 -0.117 0.000 0.246 902 V C 2.312 178.074 176.094 -0.553 0.000 1.047 902 V CA 2.006 63.925 62.300 -0.635 0.000 1.035 902 V CB -0.787 30.266 31.823 -1.284 0.000 0.658 902 V HN 0.342 nan 8.190 nan 0.000 0.452 903 H N 0.772 119.507 119.070 -0.558 0.000 2.289 903 H HA -0.245 4.240 4.556 -0.117 0.000 0.296 903 H C 2.253 177.321 175.328 -0.433 0.000 1.091 903 H CA 2.568 58.358 56.048 -0.429 0.000 1.274 903 H CB 0.064 29.600 29.762 -0.376 0.000 1.364 903 H HN 0.263 nan 8.280 nan 0.000 0.490 904 K N -0.187 119.853 120.400 -0.601 0.000 2.099 904 K HA 0.076 4.325 4.320 -0.117 0.000 0.203 904 K C 1.219 177.519 176.600 -0.500 0.000 1.047 904 K CA 1.780 57.716 56.287 -0.585 0.000 0.963 904 K CB 0.254 32.283 32.500 -0.785 0.000 0.759 904 K HN 0.512 nan 8.250 nan 0.000 0.451 905 N N -1.563 116.776 118.700 -0.601 0.000 2.197 905 N HA 0.162 4.831 4.740 -0.117 0.000 0.201 905 N C 0.954 175.815 175.510 -1.081 0.000 1.148 905 N CA 0.254 52.811 53.050 -0.823 0.000 0.883 905 N CB 1.186 39.004 38.487 -1.114 0.000 1.012 905 N HN 0.205 nan 8.380 nan 0.000 0.507 906 G N 0.112 108.439 108.800 -0.788 0.000 2.765 906 G HA2 -0.020 3.870 3.960 -0.117 0.000 0.218 906 G HA3 -0.020 3.870 3.960 -0.117 0.000 0.218 906 G C -0.569 174.414 174.900 0.138 0.000 1.271 906 G CA -0.163 44.654 45.100 -0.470 0.000 0.865 906 G HN 0.129 nan 8.290 nan 0.000 0.604 907 W N 2.917 124.110 121.300 -0.177 0.000 2.175 907 W HA 0.620 5.208 4.660 -0.119 0.000 0.350 907 W C 0.071 176.585 176.519 -0.009 0.000 0.877 907 W CA -1.708 55.672 57.345 0.059 0.000 1.544 907 W CB -0.383 29.088 29.460 0.019 0.000 1.585 907 W HN -0.025 nan 8.180 nan 0.000 0.347 908 R N 1.016 121.603 120.500 0.146 0.000 2.347 908 R HA 0.276 4.546 4.340 -0.117 0.000 0.304 908 R C -0.031 176.181 176.300 -0.147 0.000 1.072 908 R CA -0.447 55.583 56.100 -0.117 0.000 0.980 908 R CB 1.127 31.277 30.300 -0.248 0.000 0.986 908 R HN -0.066 nan 8.270 nan 0.000 0.448 909 V N 5.212 125.001 119.914 -0.209 0.000 2.287 909 V HA 0.029 4.078 4.120 -0.117 0.000 0.246 909 V C 0.204 176.095 176.094 -0.339 0.000 1.165 909 V CA -0.140 61.983 62.300 -0.294 0.000 1.088 909 V CB -0.361 31.297 31.823 -0.275 0.000 1.242 909 V HN 0.648 nan 8.190 nan 0.000 0.497 910 N N 4.944 123.296 118.700 -0.581 0.000 2.478 910 N HA 0.464 5.134 4.740 -0.117 0.000 0.275 910 N C -2.629 172.810 175.510 -0.118 0.000 1.221 910 N CA -2.071 50.757 53.050 -0.371 0.000 0.979 910 N CB 0.763 39.011 38.487 -0.398 0.000 1.202 910 N HN 0.182 nan 8.380 nan 0.000 0.564 911 P HA 0.040 nan 4.420 nan 0.000 0.258 911 P C 0.515 177.882 177.300 0.113 0.000 1.172 911 P CA 1.109 64.221 63.100 0.020 0.000 0.762 911 P CB -0.027 31.674 31.700 0.002 0.000 0.764 912 G N 1.581 110.425 108.800 0.073 0.000 2.176 912 G HA2 -0.191 3.698 3.960 -0.117 0.000 0.232 912 G HA3 -0.191 3.698 3.960 -0.117 0.000 0.232 912 G C 0.113 175.013 174.900 -0.000 0.000 0.986 912 G CA -0.446 44.678 45.100 0.040 0.000 0.643 912 G HN 0.639 nan 8.290 nan 0.000 0.522 913 H N 0.846 119.847 119.070 -0.114 0.000 2.481 913 H HA 0.377 4.863 4.556 -0.117 0.000 0.339 913 H C 0.396 175.569 175.328 -0.258 0.000 1.131 913 H CA -0.563 55.370 56.048 -0.192 0.000 1.301 913 H CB 0.974 30.595 29.762 -0.236 0.000 1.476 913 H HN 0.213 nan 8.280 nan 0.000 0.529 914 Q N 1.242 120.915 119.800 -0.210 0.000 2.500 914 Q HA 0.008 4.278 4.340 -0.117 0.000 0.215 914 Q C -0.180 175.577 176.000 -0.404 0.000 1.062 914 Q CA -0.125 55.542 55.803 -0.226 0.000 0.996 914 Q CB 0.609 29.251 28.738 -0.160 0.000 1.239 914 Q HN 0.637 nan 8.270 nan 0.000 0.578 915 D N -0.418 119.831 120.400 -0.252 0.000 2.414 915 D HA -0.057 4.513 4.640 -0.117 0.000 0.242 915 D C 0.192 176.354 176.300 -0.229 0.000 1.129 915 D CA 0.213 54.070 54.000 -0.238 0.000 0.885 915 D CB 0.518 41.270 40.800 -0.080 0.000 1.198 915 D HN 0.314 nan 8.370 nan 0.000 0.437 916 H N 2.725 121.809 119.070 0.024 0.000 2.520 916 H HA 0.233 4.719 4.556 -0.116 0.000 0.284 916 H C 1.450 176.913 175.328 0.226 0.000 1.037 916 H CA 0.511 56.627 56.048 0.113 0.000 1.168 916 H CB 0.557 30.416 29.762 0.161 0.000 1.497 916 H HN 0.696 nan 8.280 nan 0.000 0.547 917 G N 1.076 110.013 108.800 0.228 0.000 2.166 917 G HA2 -0.298 3.592 3.960 -0.117 0.000 0.260 917 G HA3 -0.298 3.592 3.960 -0.117 0.000 0.260 917 G C 0.286 175.297 174.900 0.184 0.000 0.986 917 G CA 0.558 45.779 45.100 0.202 0.000 0.683 917 G HN 0.255 nan 8.290 nan 0.000 0.527 918 V N 2.105 122.128 119.914 0.181 0.000 2.406 918 V HA 0.418 4.468 4.120 -0.117 0.000 0.272 918 V C -1.306 174.856 176.094 0.112 0.000 1.043 918 V CA -1.501 60.843 62.300 0.073 0.000 0.915 918 V CB 1.338 33.111 31.823 -0.083 0.000 0.988 918 V HN 0.155 nan 8.190 nan 0.000 0.466 919 P HA 0.210 nan 4.420 nan 0.000 0.272 919 P C 0.421 177.533 177.300 -0.314 0.000 1.223 919 P CA -0.247 62.759 63.100 -0.156 0.000 0.784 919 P CB 0.924 32.480 31.700 -0.239 0.000 0.923 920 A N 1.539 124.072 122.820 -0.478 0.000 2.119 920 A HA 0.165 4.415 4.320 -0.117 0.000 0.216 920 A C 0.796 178.257 177.584 -0.204 0.000 1.152 920 A CA 1.328 53.039 52.037 -0.543 0.000 0.708 920 A CB -0.564 18.105 19.000 -0.552 0.000 0.805 920 A HN 0.663 nan 8.150 nan 0.000 0.460 921 S N -2.583 112.971 115.700 -0.243 0.000 2.625 921 S HA 0.711 5.111 4.470 -0.117 0.000 0.271 921 S C -0.958 173.482 174.600 -0.265 0.000 1.161 921 S CA -0.798 57.294 58.200 -0.180 0.000 0.820 921 S CB 0.643 63.805 63.200 -0.063 0.000 1.137 921 S HN 0.096 nan 8.310 nan 0.000 0.470 922 F N 1.663 121.657 119.950 0.073 0.000 2.420 922 F HA 0.428 4.884 4.527 -0.118 0.000 0.342 922 F C 1.599 177.421 175.800 0.037 0.000 1.113 922 F CA -0.633 57.403 58.000 0.060 0.000 1.059 922 F CB 1.748 40.789 39.000 0.069 0.000 1.128 922 F HN 0.768 nan 8.300 nan 0.000 0.475 923 E N 0.735 121.071 120.200 0.227 0.000 2.460 923 E HA 0.108 4.387 4.350 -0.117 0.000 0.200 923 E C -0.055 176.607 176.600 0.104 0.000 1.011 923 E CA 0.206 56.684 56.400 0.129 0.000 0.912 923 E CB 0.599 30.348 29.700 0.082 0.000 0.953 923 E HN 0.463 nan 8.360 nan 0.000 0.494 924 S N -0.316 115.448 115.700 0.107 0.000 2.588 924 S HA 0.437 4.836 4.470 -0.117 0.000 0.269 924 S C 0.395 174.963 174.600 -0.054 0.000 1.157 924 S CA -0.939 57.282 58.200 0.034 0.000 0.824 924 S CB 2.262 65.487 63.200 0.042 0.000 1.126 924 S HN -0.077 nan 8.310 nan 0.000 0.464 925 R N 0.776 121.223 120.500 -0.088 0.000 2.081 925 R HA -0.093 4.177 4.340 -0.117 0.000 0.235 925 R C 2.115 178.339 176.300 -0.126 0.000 1.131 925 R CA 1.764 57.765 56.100 -0.165 0.000 0.960 925 R CB -0.460 29.786 30.300 -0.091 0.000 0.856 925 R HN 0.888 nan 8.270 nan 0.000 0.436 926 E N 1.106 121.279 120.200 -0.045 0.000 2.049 926 E HA -0.294 3.985 4.350 -0.117 0.000 0.198 926 E C 2.131 178.741 176.600 0.016 0.000 1.007 926 E CA 1.541 57.938 56.400 -0.004 0.000 0.809 926 E CB 0.043 29.762 29.700 0.031 0.000 0.749 926 E HN 0.311 nan 8.360 nan 0.000 0.450 927 Q N -0.026 119.802 119.800 0.047 0.000 2.119 927 Q HA -0.165 4.105 4.340 -0.117 0.000 0.201 927 Q C 2.328 178.369 176.000 0.069 0.000 0.972 927 Q CA 1.005 56.897 55.803 0.148 0.000 0.847 927 Q CB -0.039 28.858 28.738 0.266 0.000 0.903 927 Q HN 0.323 nan 8.270 nan 0.000 0.433 928 L N 1.379 122.431 121.223 -0.285 0.000 2.046 928 L HA -0.174 4.096 4.340 -0.117 0.000 0.208 928 L C 2.299 178.966 176.870 -0.339 0.000 1.077 928 L CA 2.009 56.394 54.840 -0.759 0.000 0.747 928 L CB -0.547 40.977 42.059 -0.890 0.000 0.896 928 L HN 0.110 nan 8.230 nan 0.000 0.432 929 K N -0.491 119.781 120.400 -0.213 0.000 2.057 929 K HA -0.270 3.979 4.320 -0.117 0.000 0.207 929 K C 2.151 178.711 176.600 -0.066 0.000 1.049 929 K CA 1.876 58.075 56.287 -0.147 0.000 0.931 929 K CB -0.225 32.205 32.500 -0.117 0.000 0.714 929 K HN 0.566 nan 8.250 nan 0.000 0.440 930 E N 0.026 120.254 120.200 0.047 0.000 2.051 930 E HA -0.158 4.122 4.350 -0.117 0.000 0.192 930 E C 1.857 178.564 176.600 0.178 0.000 0.991 930 E CA 1.324 57.829 56.400 0.175 0.000 0.799 930 E CB 0.131 29.998 29.700 0.278 0.000 0.748 930 E HN 0.162 nan 8.360 nan 0.000 0.449 931 V N 1.204 121.231 119.914 0.189 0.000 2.358 931 V HA -0.232 3.818 4.120 -0.117 0.000 0.246 931 V C 2.425 178.579 176.094 0.099 0.000 1.047 931 V CA 1.367 63.800 62.300 0.221 0.000 1.035 931 V CB -0.358 31.749 31.823 0.472 0.000 0.658 931 V HN 0.340 nan 8.190 nan 0.000 0.452 932 L N -0.443 120.801 121.223 0.035 0.000 2.093 932 L HA -0.139 4.130 4.340 -0.117 0.000 0.208 932 L C 2.588 179.401 176.870 -0.095 0.000 1.085 932 L CA 1.696 56.519 54.840 -0.027 0.000 0.755 932 L CB -0.842 41.140 42.059 -0.128 0.000 0.904 932 L HN 0.356 nan 8.230 nan 0.000 0.435 933 T N -1.172 113.276 114.554 -0.176 0.000 2.777 933 T HA -0.141 4.139 4.350 -0.117 0.000 0.266 933 T C 2.159 176.668 174.700 -0.319 0.000 1.040 933 T CA 1.557 63.418 62.100 -0.398 0.000 1.141 933 T CB -0.074 68.357 68.868 -0.729 0.000 0.868 933 T HN 0.240 nan 8.240 nan 0.000 0.444 934 S N 1.359 117.038 115.700 -0.035 0.000 2.370 934 S HA -0.061 4.338 4.470 -0.117 0.000 0.226 934 S C 1.929 176.660 174.600 0.218 0.000 1.033 934 S CA 0.801 59.192 58.200 0.318 0.000 1.011 934 S CB -0.477 62.944 63.200 0.369 0.000 0.852 934 S HN 0.253 nan 8.310 nan 0.000 0.457 935 L N 1.637 122.860 121.223 0.001 0.000 2.027 935 L HA 0.011 4.281 4.340 -0.117 0.000 0.206 935 L C 2.214 179.108 176.870 0.041 0.000 1.074 935 L CA 1.605 56.364 54.840 -0.135 0.000 0.745 935 L CB -0.746 41.163 42.059 -0.250 0.000 0.898 935 L HN 0.124 nan 8.230 nan 0.000 0.433 936 V N -0.668 119.301 119.914 0.092 0.000 2.358 936 V HA -0.288 3.762 4.120 -0.117 0.000 0.246 936 V C 2.340 178.514 176.094 0.134 0.000 1.047 936 V CA 1.980 64.325 62.300 0.075 0.000 1.035 936 V CB -0.808 30.911 31.823 -0.174 0.000 0.658 936 V HN 0.529 nan 8.190 nan 0.000 0.452 937 F N 1.294 121.253 119.950 0.016 0.000 2.161 937 F HA -0.238 4.219 4.527 -0.117 0.000 0.300 937 F C 2.349 178.297 175.800 0.247 0.000 1.089 937 F CA 2.294 60.374 58.000 0.134 0.000 1.282 937 F CB -0.377 38.725 39.000 0.170 0.000 1.010 937 F HN 0.128 nan 8.300 nan 0.000 0.485 938 T N 0.291 115.054 114.554 0.348 0.000 2.770 938 T HA -0.146 4.134 4.350 -0.117 0.000 0.263 938 T C 1.820 176.633 174.700 0.188 0.000 1.039 938 T CA 1.565 63.829 62.100 0.274 0.000 1.142 938 T CB -0.769 68.300 68.868 0.335 0.000 0.868 938 T HN 0.258 nan 8.240 nan 0.000 0.435 939 F N 1.938 122.000 119.950 0.187 0.000 2.154 939 F HA -0.207 4.251 4.527 -0.117 0.000 0.301 939 F C 2.765 178.683 175.800 0.195 0.000 1.087 939 F CA 1.239 59.339 58.000 0.167 0.000 1.274 939 F CB -0.151 38.966 39.000 0.195 0.000 1.009 939 F HN 0.258 nan 8.300 nan 0.000 0.485 940 S N -1.363 114.554 115.700 0.361 0.000 2.460 940 S HA -0.092 4.307 4.470 -0.117 0.000 0.185 940 S C 2.000 176.709 174.600 0.183 0.000 0.908 940 S CA 0.638 59.019 58.200 0.302 0.000 0.894 940 S CB -0.886 62.486 63.200 0.286 0.000 0.855 940 S HN 0.302 nan 8.310 nan 0.000 0.574 941 C N 1.815 121.052 119.300 -0.106 0.000 2.432 941 C HA 0.022 4.411 4.460 -0.117 0.000 0.277 941 C C 3.074 177.953 174.990 -0.184 0.000 1.249 941 C CA 1.349 60.198 59.018 -0.280 0.000 1.725 941 C CB -1.394 25.814 27.740 -0.886 0.000 2.028 941 C HN 0.797 nan 8.230 nan 0.000 0.477 942 Q N 0.439 120.070 119.800 -0.282 0.000 2.046 942 Q HA -0.187 4.083 4.340 -0.117 0.000 0.200 942 Q C 2.213 178.341 176.000 0.214 0.000 0.975 942 Q CA 1.886 57.774 55.803 0.142 0.000 0.836 942 Q CB -0.810 28.106 28.738 0.297 0.000 0.896 942 Q HN 0.804 nan 8.270 nan 0.000 0.428 943 H N -0.598 118.559 119.070 0.145 0.000 2.352 943 H HA -0.128 4.358 4.556 -0.116 0.000 0.299 943 H C 1.571 176.995 175.328 0.161 0.000 1.097 943 H CA 1.709 57.858 56.048 0.168 0.000 1.311 943 H CB 0.032 29.899 29.762 0.174 0.000 1.377 943 H HN 0.404 nan 8.280 nan 0.000 0.504 944 A N 1.209 124.161 122.820 0.219 0.000 1.902 944 A HA -0.060 4.190 4.320 -0.117 0.000 0.217 944 A C 2.734 180.435 177.584 0.195 0.000 1.181 944 A CA 1.692 53.949 52.037 0.365 0.000 0.623 944 A CB -1.063 18.236 19.000 0.498 0.000 0.818 944 A HN 0.584 nan 8.150 nan 0.000 0.443 945 A N -0.240 122.705 122.820 0.209 0.000 1.940 945 A HA -0.014 4.236 4.320 -0.117 0.000 0.219 945 A C 2.152 179.744 177.584 0.014 0.000 1.176 945 A CA 2.214 54.392 52.037 0.235 0.000 0.631 945 A CB -0.911 18.408 19.000 0.530 0.000 0.814 945 A HN 1.248 nan 8.150 nan 0.000 0.446 946 V N -3.121 116.772 119.914 -0.036 0.000 3.660 946 V HA 0.131 4.181 4.120 -0.117 0.000 0.276 946 V C 1.349 177.312 176.094 -0.219 0.000 1.317 946 V CA 1.236 63.502 62.300 -0.056 0.000 1.097 946 V CB -0.483 31.390 31.823 0.083 0.000 0.863 946 V HN 0.622 nan 8.190 nan 0.000 0.438 947 N N 0.417 118.811 118.700 -0.511 0.000 2.513 947 N HA 0.116 4.786 4.740 -0.117 0.000 0.196 947 N C 1.498 176.566 175.510 -0.738 0.000 1.041 947 N CA 0.779 53.315 53.050 -0.857 0.000 0.916 947 N CB 0.123 37.755 38.487 -1.426 0.000 1.172 947 N HN 0.497 nan 8.380 nan 0.000 0.444 948 F N 1.795 121.556 119.950 -0.316 0.000 2.748 948 F HA 0.085 4.541 4.527 -0.118 0.000 0.299 948 F C 2.334 177.875 175.800 -0.432 0.000 1.154 948 F CA 0.286 58.125 58.000 -0.269 0.000 1.446 948 F CB 0.129 39.081 39.000 -0.080 0.000 1.112 948 F HN 0.120 nan 8.300 nan 0.000 0.584 949 S N -0.821 114.470 115.700 -0.681 0.000 2.607 949 S HA -0.110 4.290 4.470 -0.117 0.000 0.224 949 S C 1.584 175.924 174.600 -0.433 0.000 0.969 949 S CA 0.263 57.777 58.200 -1.144 0.000 0.927 949 S CB -0.353 62.192 63.200 -1.091 0.000 0.772 949 S HN 0.486 nan 8.310 nan 0.000 0.533 950 Q N 1.071 120.720 119.800 -0.252 0.000 2.230 950 Q HA 0.005 4.275 4.340 -0.117 0.000 0.202 950 Q C 2.202 178.251 176.000 0.082 0.000 0.963 950 Q CA 0.831 56.614 55.803 -0.033 0.000 0.866 950 Q CB -0.145 28.636 28.738 0.072 0.000 0.931 950 Q HN 0.451 nan 8.270 nan 0.000 0.452 951 K N 1.478 121.902 120.400 0.039 0.000 2.026 951 K HA -0.196 4.053 4.320 -0.117 0.000 0.208 951 K C 1.132 177.760 176.600 0.046 0.000 1.048 951 K CA 1.619 57.944 56.287 0.063 0.000 0.929 951 K CB -0.076 32.474 32.500 0.083 0.000 0.713 951 K HN 0.142 nan 8.250 nan 0.000 0.439 952 D N -0.616 119.822 120.400 0.064 0.000 2.178 952 D HA -0.138 4.432 4.640 -0.117 0.000 0.202 952 D C 1.970 178.289 176.300 0.031 0.000 0.974 952 D CA 1.036 55.078 54.000 0.069 0.000 0.841 952 D CB -0.124 40.788 40.800 0.185 0.000 0.953 952 D HN 0.481 nan 8.370 nan 0.000 0.478 953 H N -1.271 117.714 119.070 -0.140 0.000 2.343 953 H HA -0.025 4.461 4.556 -0.117 0.000 0.303 953 H C 1.106 176.235 175.328 -0.331 0.000 1.068 953 H CA 1.445 57.291 56.048 -0.335 0.000 1.359 953 H CB 0.162 29.534 29.762 -0.651 0.000 1.402 953 H HN 0.117 nan 8.280 nan 0.000 0.515 954 Y N -1.596 118.724 120.300 0.034 0.000 2.430 954 Y HA 0.230 4.710 4.550 -0.117 0.000 0.248 954 Y C 2.413 178.273 175.900 -0.066 0.000 1.108 954 Y CA 0.021 58.102 58.100 -0.032 0.000 1.264 954 Y CB 0.727 39.184 38.460 -0.005 0.000 1.172 954 Y HN 0.293 nan 8.280 nan 0.000 0.520 955 G N 0.667 109.529 108.800 0.103 0.000 2.422 955 G HA2 -0.282 3.608 3.960 -0.117 0.000 0.218 955 G HA3 -0.282 3.608 3.960 -0.117 0.000 0.218 955 G C 0.186 175.207 174.900 0.201 0.000 1.146 955 G CA 0.372 45.510 45.100 0.064 0.000 0.769 955 G HN 0.253 nan 8.290 nan 0.000 0.547 956 F N 2.106 122.037 119.950 -0.032 0.000 2.350 956 F HA 0.467 4.924 4.527 -0.117 0.000 0.365 956 F C 1.429 177.105 175.800 -0.206 0.000 1.122 956 F CA -0.771 57.206 58.000 -0.039 0.000 1.139 956 F CB 1.050 39.982 39.000 -0.113 0.000 1.220 956 F HN -0.091 nan 8.300 nan 0.000 0.499 957 T N 6.177 120.293 114.554 -0.729 0.000 2.746 957 T HA -0.075 4.205 4.350 -0.117 0.000 0.267 957 T C -0.927 173.201 174.700 -0.955 0.000 1.039 957 T CA 1.637 63.342 62.100 -0.659 0.000 1.142 957 T CB -0.683 67.878 68.868 -0.511 0.000 0.866 957 T HN 0.416 nan 8.240 nan 0.000 0.444 958 P HA -0.044 nan 4.420 nan 0.000 0.222 958 P C 1.327 178.275 177.300 -0.587 0.000 1.147 958 P CA 0.668 62.987 63.100 -1.302 0.000 0.790 958 P CB -0.206 30.353 31.700 -1.902 0.000 0.780 959 N N -0.110 118.292 118.700 -0.497 0.000 2.272 959 N HA -0.126 4.544 4.740 -0.117 0.000 0.185 959 N C 0.090 175.541 175.510 -0.098 0.000 1.014 959 N CA 1.125 54.165 53.050 -0.018 0.000 0.870 959 N CB 0.070 38.565 38.487 0.012 0.000 0.975 959 N HN -0.056 nan 8.380 nan 0.000 0.433 960 A N 0.825 123.540 122.820 -0.175 0.000 3.068 960 A HA 0.295 4.545 4.320 -0.117 0.000 0.269 960 A C -2.782 174.814 177.584 0.020 0.000 1.259 960 A CA -0.888 51.093 52.037 -0.093 0.000 0.938 960 A CB 0.640 19.436 19.000 -0.340 0.000 1.433 960 A HN 0.056 nan 8.150 nan 0.000 0.664 961 P HA 0.400 nan 4.420 nan 0.000 0.271 961 P C 0.679 177.931 177.300 -0.079 0.000 1.218 961 P CA 0.385 63.375 63.100 -0.182 0.000 0.780 961 P CB 1.668 33.155 31.700 -0.355 0.000 0.901 962 A N 3.087 125.843 122.820 -0.108 0.000 2.324 962 A HA 0.327 4.576 4.320 -0.117 0.000 0.220 962 A C 0.717 178.234 177.584 -0.113 0.000 1.209 962 A CA 0.244 52.228 52.037 -0.087 0.000 0.918 962 A CB -0.028 18.887 19.000 -0.141 0.000 0.959 962 A HN 0.492 nan 8.150 nan 0.000 0.507 963 I N 0.908 121.388 120.570 -0.150 0.000 2.533 963 I HA 0.413 4.513 4.170 -0.117 0.000 0.290 963 I C -1.184 174.821 176.117 -0.186 0.000 1.056 963 I CA -0.591 60.623 61.300 -0.142 0.000 1.057 963 I CB 2.152 40.062 38.000 -0.149 0.000 1.240 963 I HN 0.034 nan 8.210 nan 0.000 0.423 964 L N 5.623 126.748 121.223 -0.163 0.000 2.342 964 L HA 0.569 4.839 4.340 -0.117 0.000 0.271 964 L C 0.785 177.644 176.870 -0.017 0.000 1.008 964 L CA -0.686 54.027 54.840 -0.212 0.000 0.818 964 L CB 2.103 43.846 42.059 -0.526 0.000 1.296 964 L HN 0.581 nan 8.230 nan 0.000 0.427 965 R N -0.419 120.035 120.500 -0.075 0.000 2.365 965 R HA 0.239 4.509 4.340 -0.117 0.000 0.223 965 R C -0.244 175.896 176.300 -0.265 0.000 0.899 965 R CA -0.026 56.005 56.100 -0.115 0.000 1.059 965 R CB 0.439 30.579 30.300 -0.267 0.000 1.086 965 R HN 0.514 nan 8.270 nan 0.000 0.522 966 H N -0.364 118.718 119.070 0.020 0.000 2.894 966 H HA 0.352 4.838 4.556 -0.117 0.000 0.368 966 H C -2.464 172.468 175.328 -0.659 0.000 1.181 966 H CA -2.607 53.267 56.048 -0.289 0.000 1.146 966 H CB 1.592 31.298 29.762 -0.093 0.000 1.839 966 H HN -0.237 nan 8.280 nan 0.000 0.557 967 P HA 0.008 nan 4.420 nan 0.000 0.270 967 P C -2.285 174.934 177.300 -0.135 0.000 1.227 967 P CA -0.762 61.972 63.100 -0.610 0.000 0.788 967 P CB -0.312 31.166 31.700 -0.370 0.000 0.926 968 P HA 0.200 nan 4.420 nan 0.000 0.274 968 P C -2.331 174.860 177.300 -0.182 0.000 1.246 968 P CA -1.247 61.479 63.100 -0.624 0.000 0.795 968 P CB -0.994 30.061 31.700 -1.075 0.000 1.006 969 P HA 0.215 nan 4.420 nan 0.000 0.274 969 P C 0.066 177.443 177.300 0.127 0.000 1.246 969 P CA -0.026 63.119 63.100 0.074 0.000 0.795 969 P CB 0.294 32.092 31.700 0.164 0.000 1.006 970 K N -1.517 118.961 120.400 0.130 0.000 2.469 970 K HA 0.530 4.780 4.320 -0.117 0.000 0.204 970 K C 0.613 177.273 176.600 0.100 0.000 1.047 970 K CA 0.617 56.964 56.287 0.100 0.000 1.072 970 K CB -0.095 32.441 32.500 0.059 0.000 0.863 970 K HN 0.870 nan 8.250 nan 0.000 0.530 971 K N 0.965 121.458 120.400 0.155 0.000 2.562 971 K HA 0.547 4.796 4.320 -0.117 0.000 0.267 971 K C -0.918 175.808 176.600 0.209 0.000 0.938 971 K CA -0.732 55.623 56.287 0.113 0.000 0.840 971 K CB 0.654 33.209 32.500 0.091 0.000 1.390 971 K HN 0.254 nan 8.250 nan 0.000 0.428 972 K N -0.305 120.162 120.400 0.113 0.000 2.120 972 K HA 0.620 4.870 4.320 -0.117 0.000 0.245 972 K C 1.191 177.917 176.600 0.211 0.000 1.024 972 K CA 0.722 57.136 56.287 0.211 0.000 0.906 972 K CB 1.053 33.562 32.500 0.017 0.000 1.051 972 K HN 1.460 nan 8.250 nan 0.000 0.491 973 G N -0.474 108.477 108.800 0.252 0.000 2.234 973 G HA2 -0.414 3.475 3.960 -0.117 0.000 0.260 973 G HA3 -0.414 3.475 3.960 -0.117 0.000 0.260 973 G C 1.085 176.086 174.900 0.168 0.000 0.987 973 G CA 0.969 46.179 45.100 0.183 0.000 0.625 973 G HN 0.710 nan 8.290 nan 0.000 0.532 974 E N -0.061 120.245 120.200 0.178 0.000 2.107 974 E HA 0.553 4.832 4.350 -0.117 0.000 0.191 974 E C 1.785 178.462 176.600 0.128 0.000 0.982 974 E CA 1.681 58.161 56.400 0.134 0.000 0.809 974 E CB -0.437 29.335 29.700 0.121 0.000 0.756 974 E HN 2.204 nan 8.360 nan 0.000 0.459 975 A N 1.398 124.316 122.820 0.163 0.000 2.492 975 A HA 0.505 4.755 4.320 -0.117 0.000 0.254 975 A C 0.783 178.452 177.584 0.141 0.000 1.091 975 A CA 0.456 52.586 52.037 0.154 0.000 0.768 975 A CB -0.177 18.934 19.000 0.184 0.000 1.028 975 A HN 0.595 nan 8.150 nan 0.000 0.498 976 T N 0.450 115.010 114.554 0.011 0.000 2.932 976 T HA 0.440 4.720 4.350 -0.117 0.000 0.289 976 T C 0.923 175.437 174.700 -0.310 0.000 1.039 976 T CA -0.633 61.351 62.100 -0.194 0.000 1.024 976 T CB 0.901 69.714 68.868 -0.092 0.000 1.090 976 T HN 0.514 nan 8.240 nan 0.000 0.496 977 L N 1.155 122.046 121.223 -0.552 0.000 2.064 977 L HA -0.150 4.120 4.340 -0.117 0.000 0.216 977 L C 2.926 179.711 176.870 -0.142 0.000 1.077 977 L CA 2.494 57.158 54.840 -0.294 0.000 0.766 977 L CB -1.165 40.738 42.059 -0.260 0.000 0.890 977 L HN 0.890 nan 8.230 nan 0.000 0.435 978 Q N -1.291 118.445 119.800 -0.108 0.000 2.083 978 Q HA -0.121 4.149 4.340 -0.117 0.000 0.198 978 Q C 2.628 178.620 176.000 -0.012 0.000 0.969 978 Q CA 1.575 57.350 55.803 -0.047 0.000 0.838 978 Q CB -0.441 28.277 28.738 -0.033 0.000 0.900 978 Q HN 0.936 nan 8.270 nan 0.000 0.436 979 S N -0.680 115.013 115.700 -0.012 0.000 2.436 979 S HA 0.010 4.410 4.470 -0.117 0.000 0.228 979 S C 1.936 176.576 174.600 0.066 0.000 1.014 979 S CA 1.097 59.308 58.200 0.018 0.000 0.950 979 S CB -0.442 62.760 63.200 0.004 0.000 0.784 979 S HN 0.612 nan 8.310 nan 0.000 0.504 980 I N 1.460 122.074 120.570 0.073 0.000 2.163 980 I HA -0.138 3.962 4.170 -0.117 0.000 0.240 980 I C 2.402 178.560 176.117 0.068 0.000 1.081 980 I CA 1.254 62.635 61.300 0.135 0.000 1.353 980 I CB -0.390 37.779 38.000 0.280 0.000 1.054 980 I HN 0.273 nan 8.210 nan 0.000 0.407 981 L N 0.292 121.544 121.223 0.048 0.000 2.081 981 L HA -0.242 4.028 4.340 -0.117 0.000 0.212 981 L C 2.618 179.528 176.870 0.067 0.000 1.080 981 L CA 1.756 56.631 54.840 0.058 0.000 0.754 981 L CB -0.666 41.416 42.059 0.038 0.000 0.893 981 L HN 0.365 nan 8.230 nan 0.000 0.433 982 S N -1.983 113.764 115.700 0.079 0.000 2.527 982 S HA -0.070 4.330 4.470 -0.117 0.000 0.222 982 S C 1.713 176.396 174.600 0.137 0.000 0.985 982 S CA 1.033 59.303 58.200 0.117 0.000 0.921 982 S CB -0.129 63.173 63.200 0.170 0.000 0.772 982 S HN 0.362 nan 8.310 nan 0.000 0.529 983 T N 2.132 116.754 114.554 0.113 0.000 3.010 983 T HA 0.341 4.621 4.350 -0.117 0.000 0.252 983 T C 0.733 175.347 174.700 -0.143 0.000 1.047 983 T CA -0.007 62.121 62.100 0.047 0.000 1.140 983 T CB -0.245 68.665 68.868 0.070 0.000 0.885 983 T HN 0.292 nan 8.240 nan 0.000 0.464 984 L N 2.277 123.388 121.223 -0.186 0.000 2.492 984 L HA 0.125 4.395 4.340 -0.117 0.000 0.280 984 L C -2.119 174.658 176.870 -0.156 0.000 1.240 984 L CA -1.692 52.972 54.840 -0.293 0.000 0.831 984 L CB -0.229 41.619 42.059 -0.353 0.000 1.100 984 L HN 0.006 nan 8.230 nan 0.000 0.505 985 P HA -0.024 nan 4.420 nan 0.000 0.266 985 P C -0.532 176.771 177.300 0.004 0.000 1.193 985 P CA -0.201 62.839 63.100 -0.099 0.000 0.770 985 P CB 0.428 32.062 31.700 -0.110 0.000 0.836 986 S N 2.429 118.081 115.700 -0.081 0.000 2.587 986 S HA -0.002 4.398 4.470 -0.117 0.000 0.260 986 S C 1.415 175.894 174.600 -0.203 0.000 1.353 986 S CA 0.037 58.147 58.200 -0.150 0.000 0.995 986 S CB 0.340 63.429 63.200 -0.186 0.000 0.912 986 S HN 0.572 nan 8.310 nan 0.000 0.568 987 K N 0.434 120.541 120.400 -0.489 0.000 2.063 987 K HA -0.136 4.114 4.320 -0.117 0.000 0.208 987 K C 2.203 178.626 176.600 -0.295 0.000 1.048 987 K CA 1.766 57.663 56.287 -0.650 0.000 0.928 987 K CB -0.846 30.855 32.500 -1.332 0.000 0.713 987 K HN 0.521 nan 8.250 nan 0.000 0.442 988 S N 0.845 116.388 115.700 -0.262 0.000 2.368 988 S HA -0.171 4.229 4.470 -0.117 0.000 0.225 988 S C 2.100 176.623 174.600 -0.128 0.000 1.030 988 S CA 1.219 59.318 58.200 -0.169 0.000 0.999 988 S CB -0.164 62.933 63.200 -0.172 0.000 0.844 988 S HN 0.502 nan 8.310 nan 0.000 0.459 989 Q N 0.278 119.994 119.800 -0.138 0.000 2.119 989 Q HA 0.052 4.321 4.340 -0.117 0.000 0.201 989 Q C 2.559 178.499 176.000 -0.101 0.000 0.972 989 Q CA 1.398 57.123 55.803 -0.130 0.000 0.847 989 Q CB -0.382 28.269 28.738 -0.145 0.000 0.903 989 Q HN 0.712 nan 8.270 nan 0.000 0.433 990 A N 1.059 123.850 122.820 -0.050 0.000 1.898 990 A HA -0.081 4.169 4.320 -0.117 0.000 0.216 990 A C 2.295 179.866 177.584 -0.023 0.000 1.181 990 A CA 1.466 53.504 52.037 0.002 0.000 0.620 990 A CB -0.782 18.346 19.000 0.212 0.000 0.819 990 A HN 0.384 nan 8.150 nan 0.000 0.442 991 A N -0.051 122.764 122.820 -0.008 0.000 1.902 991 A HA -0.181 4.069 4.320 -0.117 0.000 0.217 991 A C 2.099 179.652 177.584 -0.051 0.000 1.181 991 A CA 1.858 53.901 52.037 0.012 0.000 0.623 991 A CB -0.456 18.581 19.000 0.062 0.000 0.818 991 A HN 0.539 nan 8.150 nan 0.000 0.443 992 K N -0.406 119.958 120.400 -0.060 0.000 2.097 992 K HA -0.079 4.171 4.320 -0.117 0.000 0.206 992 K C 2.246 178.769 176.600 -0.127 0.000 1.049 992 K CA 1.095 57.336 56.287 -0.077 0.000 0.933 992 K CB -0.292 32.157 32.500 -0.085 0.000 0.717 992 K HN 0.466 nan 8.250 nan 0.000 0.442 993 A N 1.241 123.967 122.820 -0.156 0.000 1.930 993 A HA -0.101 4.149 4.320 -0.117 0.000 0.217 993 A C 2.069 179.514 177.584 -0.232 0.000 1.175 993 A CA 1.064 52.978 52.037 -0.205 0.000 0.627 993 A CB -0.434 18.433 19.000 -0.221 0.000 0.815 993 A HN 0.153 nan 8.150 nan 0.000 0.443 994 I N -0.212 120.198 120.570 -0.266 0.000 2.226 994 I HA -0.279 3.820 4.170 -0.117 0.000 0.245 994 I C 2.964 178.706 176.117 -0.625 0.000 1.100 994 I CA 1.038 62.076 61.300 -0.436 0.000 1.374 994 I CB -0.269 37.405 38.000 -0.543 0.000 1.057 994 I HN 0.358 nan 8.210 nan 0.000 0.413 995 A N 0.198 122.689 122.820 -0.549 0.000 1.902 995 A HA -0.211 4.039 4.320 -0.117 0.000 0.217 995 A C 2.379 179.931 177.584 -0.053 0.000 1.181 995 A CA 2.449 54.296 52.037 -0.317 0.000 0.623 995 A CB -1.108 17.927 19.000 0.059 0.000 0.818 995 A HN 0.372 nan 8.150 nan 0.000 0.443 996 T N -0.285 114.220 114.554 -0.082 0.000 2.684 996 T HA -0.145 4.135 4.350 -0.117 0.000 0.267 996 T C 1.895 176.580 174.700 -0.026 0.000 1.036 996 T CA 1.706 63.785 62.100 -0.034 0.000 1.148 996 T CB -0.496 68.321 68.868 -0.084 0.000 0.863 996 T HN 0.152 nan 8.240 nan 0.000 0.436 997 V N 0.499 120.363 119.914 -0.083 0.000 2.287 997 V HA -0.192 3.858 4.120 -0.117 0.000 0.248 997 V C 2.021 178.120 176.094 0.008 0.000 1.053 997 V CA 1.816 64.087 62.300 -0.049 0.000 1.027 997 V CB -0.754 31.046 31.823 -0.040 0.000 0.646 997 V HN 0.501 nan 8.190 nan 0.000 0.447 998 Y N 0.711 120.951 120.300 -0.099 0.000 2.081 998 Y HA -0.298 4.182 4.550 -0.117 0.000 0.280 998 Y C 2.236 178.189 175.900 0.089 0.000 1.163 998 Y CA 2.038 60.153 58.100 0.025 0.000 1.135 998 Y CB -0.385 38.132 38.460 0.095 0.000 0.970 998 Y HN 0.214 nan 8.280 nan 0.000 0.498 999 I N -0.272 120.306 120.570 0.013 0.000 2.226 999 I HA -0.331 3.769 4.170 -0.117 0.000 0.245 999 I C 2.175 178.312 176.117 0.033 0.000 1.100 999 I CA 1.411 62.707 61.300 -0.007 0.000 1.374 999 I CB -0.414 37.657 38.000 0.119 0.000 1.057 999 I HN 0.230 nan 8.210 nan 0.000 0.413 1000 L N 0.035 121.285 121.223 0.044 0.000 2.478 1000 L HA -0.043 4.227 4.340 -0.117 0.000 0.223 1000 L C 1.857 178.703 176.870 -0.039 0.000 1.140 1000 L CA 1.110 55.991 54.840 0.068 0.000 0.842 1000 L CB -0.631 41.461 42.059 0.054 0.000 0.953 1000 L HN 0.412 nan 8.230 nan 0.000 0.452 1001 T N -4.509 110.000 114.554 -0.075 0.000 3.129 1001 T HA 0.114 4.394 4.350 -0.117 0.000 0.267 1001 T C 0.394 175.066 174.700 -0.047 0.000 1.018 1001 T CA -0.467 61.598 62.100 -0.058 0.000 0.903 1001 T CB 0.156 69.005 68.868 -0.033 0.000 1.067 1001 T HN -0.163 nan 8.240 nan 0.000 0.549 1002 K N 1.926 122.277 120.400 -0.082 0.000 2.285 1002 K HA 0.429 4.679 4.320 -0.117 0.000 0.286 1002 K C -0.966 175.638 176.600 0.007 0.000 1.072 1002 K CA -1.399 54.816 56.287 -0.120 0.000 0.913 1002 K CB -0.547 31.830 32.500 -0.204 0.000 1.067 1002 K HN 0.285 nan 8.250 nan 0.000 0.479 1003 F N 2.623 122.654 119.950 0.134 0.000 2.495 1003 F HA 0.077 4.533 4.527 -0.118 0.000 0.365 1003 F C 1.379 177.217 175.800 0.063 0.000 1.090 1003 F CA -0.026 58.030 58.000 0.093 0.000 1.235 1003 F CB 0.962 40.002 39.000 0.068 0.000 1.119 1003 F HN 0.502 nan 8.300 nan 0.000 0.562 1004 S N 2.009 117.855 115.700 0.244 0.000 2.585 1004 S HA 0.072 4.472 4.470 -0.117 0.000 0.273 1004 S C 1.103 175.760 174.600 0.094 0.000 1.339 1004 S CA -0.737 57.527 58.200 0.107 0.000 1.028 1004 S CB 0.955 64.162 63.200 0.012 0.000 0.906 1004 S HN 0.627 nan 8.310 nan 0.000 0.528 1005 E N 1.293 121.530 120.200 0.062 0.000 2.204 1005 E HA -0.081 4.199 4.350 -0.117 0.000 0.195 1005 E C 1.099 177.708 176.600 0.016 0.000 0.990 1005 E CA 1.304 57.734 56.400 0.049 0.000 0.821 1005 E CB -0.105 29.617 29.700 0.038 0.000 0.750 1005 E HN 0.771 nan 8.360 nan 0.000 0.477 1006 D N 0.033 120.426 120.400 -0.012 0.000 2.342 1006 D HA -0.030 4.540 4.640 -0.117 0.000 0.221 1006 D C -0.064 176.168 176.300 -0.114 0.000 1.101 1006 D CA -0.184 53.785 54.000 -0.053 0.000 0.837 1006 D CB -0.219 40.546 40.800 -0.058 0.000 0.938 1006 D HN -0.046 nan 8.370 nan 0.000 0.508 1007 E N 1.117 121.239 120.200 -0.129 0.000 2.502 1007 E HA 0.039 4.319 4.350 -0.117 0.000 0.261 1007 E C -0.327 175.998 176.600 -0.459 0.000 0.974 1007 E CA 0.373 56.579 56.400 -0.323 0.000 0.936 1007 E CB 0.509 29.927 29.700 -0.470 0.000 0.926 1007 E HN 0.122 nan 8.360 nan 0.000 0.459 1008 R N 3.244 123.452 120.500 -0.485 0.000 2.445 1008 R HA 0.328 4.598 4.340 -0.117 0.000 0.308 1008 R C -0.854 175.143 176.300 -0.505 0.000 0.961 1008 R CA -0.664 55.202 56.100 -0.391 0.000 0.862 1008 R CB 1.065 31.222 30.300 -0.237 0.000 1.144 1008 R HN 0.520 nan 8.270 nan 0.000 0.447 1009 Y N 0.984 121.206 120.300 -0.130 0.000 2.480 1009 Y HA 0.234 4.715 4.550 -0.115 0.000 0.323 1009 Y C 0.421 176.241 175.900 -0.132 0.000 1.267 1009 Y CA -1.029 56.996 58.100 -0.125 0.000 1.336 1009 Y CB 0.549 38.897 38.460 -0.187 0.000 1.361 1009 Y HN 0.337 nan 8.280 nan 0.000 0.518 1010 L N 2.128 123.404 121.223 0.088 0.000 2.667 1010 L HA 0.144 4.414 4.340 -0.117 0.000 0.278 1010 L C 1.100 177.817 176.870 -0.254 0.000 1.217 1010 L CA 1.672 56.511 54.840 -0.001 0.000 0.935 1010 L CB -0.596 41.483 42.059 0.034 0.000 1.193 1010 L HN 0.876 nan 8.230 nan 0.000 0.493 1011 G N 2.848 111.403 108.800 -0.408 0.000 2.179 1011 G HA2 -0.346 3.543 3.960 -0.117 0.000 0.260 1011 G HA3 -0.346 3.543 3.960 -0.117 0.000 0.260 1011 G C 0.485 174.789 174.900 -0.993 0.000 0.977 1011 G CA 0.314 44.824 45.100 -0.983 0.000 0.641 1011 G HN 0.923 nan 8.290 nan 0.000 0.533 1012 N N 0.365 118.740 118.700 -0.542 0.000 2.399 1012 N HA 0.327 4.996 4.740 -0.117 0.000 0.259 1012 N C -0.142 175.254 175.510 -0.190 0.000 1.160 1012 N CA -0.264 52.596 53.050 -0.315 0.000 0.946 1012 N CB -0.087 38.306 38.487 -0.156 0.000 1.156 1012 N HN 0.199 nan 8.380 nan 0.000 0.489 1013 Y N 1.048 121.314 120.300 -0.057 0.000 2.751 1013 Y HA 0.143 4.623 4.550 -0.117 0.000 0.289 1013 Y C 1.858 177.724 175.900 -0.057 0.000 1.110 1013 Y CA -0.723 57.355 58.100 -0.037 0.000 1.251 1013 Y CB -0.511 37.983 38.460 0.057 0.000 1.178 1013 Y HN 0.587 nan 8.280 nan 0.000 0.540 1014 S N -0.827 114.913 115.700 0.068 0.000 2.474 1014 S HA 0.026 4.425 4.470 -0.117 0.000 0.235 1014 S C 1.494 176.090 174.600 -0.007 0.000 0.997 1014 S CA 0.670 58.891 58.200 0.034 0.000 0.949 1014 S CB 0.010 63.222 63.200 0.021 0.000 0.766 1014 S HN 0.281 nan 8.310 nan 0.000 0.517 1015 A N 1.858 124.632 122.820 -0.076 0.000 2.965 1015 A HA 0.539 4.789 4.320 -0.117 0.000 0.304 1015 A C 0.638 177.864 177.584 -0.596 0.000 1.214 1015 A CA -0.267 51.666 52.037 -0.174 0.000 0.977 1015 A CB -0.443 18.556 19.000 -0.002 0.000 1.127 1015 A HN 0.548 nan 8.150 nan 0.000 0.572 1016 T N -4.218 109.945 114.554 -0.651 0.000 2.948 1016 T HA 0.654 4.934 4.350 -0.117 0.000 0.285 1016 T C 0.574 174.704 174.700 -0.951 0.000 1.019 1016 T CA -0.031 61.669 62.100 -0.666 0.000 1.013 1016 T CB 1.883 70.590 68.868 -0.268 0.000 1.117 1016 T HN 0.593 nan 8.240 nan 0.000 0.533 1017 A N -0.205 122.203 122.820 -0.686 0.000 2.460 1017 A HA 0.359 4.609 4.320 -0.117 0.000 0.258 1017 A C -0.086 177.375 177.584 -0.205 0.000 1.300 1017 A CA -1.036 50.792 52.037 -0.349 0.000 0.913 1017 A CB -0.756 18.170 19.000 -0.124 0.000 1.031 1017 A HN 0.791 nan 8.150 nan 0.000 0.512 1018 W N 0.498 121.748 121.300 -0.083 0.000 2.251 1018 W HA 0.276 4.868 4.660 -0.114 0.000 0.327 1018 W C 0.945 177.487 176.519 0.037 0.000 1.361 1018 W CA -0.338 57.003 57.345 -0.007 0.000 1.234 1018 W CB 0.728 30.192 29.460 0.008 0.000 1.212 1018 W HN 0.279 nan 8.180 nan 0.000 0.557 1019 E N 0.850 121.244 120.200 0.324 0.000 2.391 1019 E HA -0.073 4.207 4.350 -0.117 0.000 0.206 1019 E C 0.051 176.765 176.600 0.188 0.000 0.851 1019 E CA 0.173 56.694 56.400 0.201 0.000 1.059 1019 E CB -0.142 29.632 29.700 0.124 0.000 1.065 1019 E HN 0.490 nan 8.360 nan 0.000 0.512 1020 D N 1.984 122.542 120.400 0.264 0.000 2.450 1020 D HA -0.050 4.520 4.640 -0.117 0.000 0.247 1020 D C 0.883 177.231 176.300 0.080 0.000 1.162 1020 D CA 0.235 54.339 54.000 0.173 0.000 0.879 1020 D CB 1.115 42.071 40.800 0.259 0.000 1.163 1020 D HN -0.242 nan 8.370 nan 0.000 0.472 1021 K N 3.002 123.416 120.400 0.024 0.000 2.097 1021 K HA -0.100 4.149 4.320 -0.117 0.000 0.206 1021 K C 1.381 177.960 176.600 -0.035 0.000 1.049 1021 K CA 1.248 57.536 56.287 0.000 0.000 0.933 1021 K CB -0.208 32.286 32.500 -0.009 0.000 0.717 1021 K HN 0.589 nan 8.250 nan 0.000 0.442 1022 D N 0.450 120.805 120.400 -0.075 0.000 2.144 1022 D HA -0.064 4.506 4.640 -0.117 0.000 0.199 1022 D C 1.976 178.197 176.300 -0.132 0.000 0.984 1022 D CA 1.469 55.401 54.000 -0.113 0.000 0.834 1022 D CB -0.311 40.386 40.800 -0.171 0.000 0.955 1022 D HN 0.367 nan 8.370 nan 0.000 0.465 1023 A N 1.075 123.803 122.820 -0.155 0.000 1.898 1023 A HA -0.097 4.153 4.320 -0.117 0.000 0.216 1023 A C 2.426 179.875 177.584 -0.225 0.000 1.181 1023 A CA 0.747 52.612 52.037 -0.286 0.000 0.620 1023 A CB -0.749 17.997 19.000 -0.423 0.000 0.819 1023 A HN 0.167 nan 8.150 nan 0.000 0.442 1024 L N -0.437 120.722 121.223 -0.106 0.000 2.083 1024 L HA -0.197 4.073 4.340 -0.117 0.000 0.209 1024 L C 2.032 178.895 176.870 -0.011 0.000 1.083 1024 L CA 1.371 56.190 54.840 -0.034 0.000 0.752 1024 L CB -0.723 41.351 42.059 0.024 0.000 0.899 1024 L HN 0.316 nan 8.230 nan 0.000 0.433 1025 D N 0.374 120.763 120.400 -0.018 0.000 2.117 1025 D HA -0.154 4.416 4.640 -0.117 0.000 0.197 1025 D C 2.256 178.574 176.300 0.029 0.000 0.987 1025 D CA 1.555 55.554 54.000 -0.002 0.000 0.829 1025 D CB -0.004 40.785 40.800 -0.017 0.000 0.961 1025 D HN 0.308 nan 8.370 nan 0.000 0.460 1026 A N 0.800 123.640 122.820 0.033 0.000 1.933 1026 A HA -0.140 4.110 4.320 -0.117 0.000 0.218 1026 A C 2.389 180.140 177.584 0.279 0.000 1.175 1026 A CA 0.842 52.967 52.037 0.146 0.000 0.628 1026 A CB -0.695 18.356 19.000 0.086 0.000 0.814 1026 A HN 0.195 nan 8.150 nan 0.000 0.444 1027 I N 0.159 120.853 120.570 0.206 0.000 2.163 1027 I HA -0.303 3.796 4.170 -0.117 0.000 0.243 1027 I C 2.154 178.293 176.117 0.037 0.000 1.085 1027 I CA 1.299 62.657 61.300 0.097 0.000 1.347 1027 I CB -0.583 37.480 38.000 0.104 0.000 1.044 1027 I HN 0.315 nan 8.210 nan 0.000 0.408 1028 N N 1.138 119.858 118.700 0.033 0.000 2.060 1028 N HA -0.210 4.459 4.740 -0.117 0.000 0.195 1028 N C 1.910 177.423 175.510 0.005 0.000 1.028 1028 N CA 1.544 54.595 53.050 0.002 0.000 0.861 1028 N CB -0.447 38.043 38.487 0.005 0.000 1.029 1028 N HN 0.389 nan 8.380 nan 0.000 0.428 1029 R N -0.554 119.979 120.500 0.055 0.000 2.075 1029 R HA -0.047 4.223 4.340 -0.117 0.000 0.232 1029 R C 2.058 178.422 176.300 0.108 0.000 1.126 1029 R CA 0.752 56.895 56.100 0.072 0.000 0.963 1029 R CB -0.457 29.901 30.300 0.096 0.000 0.858 1029 R HN 0.191 nan 8.270 nan 0.000 0.435 1030 F N 2.376 122.276 119.950 -0.084 0.000 2.102 1030 F HA -0.196 4.260 4.527 -0.118 0.000 0.298 1030 F C 2.101 177.789 175.800 -0.186 0.000 1.105 1030 F CA 1.604 59.504 58.000 -0.168 0.000 1.239 1030 F CB -0.446 38.254 39.000 -0.500 0.000 0.991 1030 F HN -0.051 nan 8.300 nan 0.000 0.474 1031 Q N -0.190 119.418 119.800 -0.321 0.000 2.124 1031 Q HA -0.209 4.060 4.340 -0.117 0.000 0.202 1031 Q C 1.822 177.670 176.000 -0.253 0.000 0.977 1031 Q CA 1.724 57.279 55.803 -0.415 0.000 0.850 1031 Q CB -0.295 28.272 28.738 -0.285 0.000 0.901 1031 Q HN 0.407 nan 8.270 nan 0.000 0.429 1032 D N 0.383 120.700 120.400 -0.138 0.000 2.144 1032 D HA -0.138 4.431 4.640 -0.117 0.000 0.200 1032 D C 1.702 177.957 176.300 -0.076 0.000 0.978 1032 D CA 1.070 55.018 54.000 -0.087 0.000 0.833 1032 D CB -0.050 40.725 40.800 -0.042 0.000 0.961 1032 D HN 0.004 nan 8.370 nan 0.000 0.470 1033 K N 0.740 121.107 120.400 -0.056 0.000 2.057 1033 K HA -0.008 4.242 4.320 -0.117 0.000 0.206 1033 K C 2.092 178.650 176.600 -0.070 0.000 1.050 1033 K CA 0.674 56.949 56.287 -0.020 0.000 0.935 1033 K CB -0.396 32.145 32.500 0.069 0.000 0.715 1033 K HN 0.100 nan 8.250 nan 0.000 0.439 1034 L N 0.416 121.527 121.223 -0.187 0.000 2.083 1034 L HA -0.145 4.125 4.340 -0.117 0.000 0.209 1034 L C 2.530 179.314 176.870 -0.144 0.000 1.083 1034 L CA 1.620 56.336 54.840 -0.207 0.000 0.752 1034 L CB -0.454 41.367 42.059 -0.396 0.000 0.899 1034 L HN 0.388 nan 8.230 nan 0.000 0.433 1035 E N 0.249 120.361 120.200 -0.145 0.000 2.110 1035 E HA -0.247 4.032 4.350 -0.117 0.000 0.193 1035 E C 1.592 178.150 176.600 -0.070 0.000 0.988 1035 E CA 1.424 57.759 56.400 -0.108 0.000 0.804 1035 E CB 0.164 29.802 29.700 -0.103 0.000 0.745 1035 E HN 0.416 nan 8.360 nan 0.000 0.458 1036 D N 0.229 120.597 120.400 -0.054 0.000 2.117 1036 D HA -0.116 4.454 4.640 -0.117 0.000 0.198 1036 D C 1.974 178.263 176.300 -0.018 0.000 0.982 1036 D CA 0.808 54.791 54.000 -0.028 0.000 0.828 1036 D CB -0.118 40.674 40.800 -0.014 0.000 0.967 1036 D HN 0.281 nan 8.370 nan 0.000 0.464 1037 I N 0.308 120.868 120.570 -0.017 0.000 2.179 1037 I HA -0.266 3.834 4.170 -0.117 0.000 0.242 1037 I C 2.497 178.611 176.117 -0.005 0.000 1.088 1037 I CA 0.813 62.115 61.300 0.004 0.000 1.357 1037 I CB -0.233 37.779 38.000 0.020 0.000 1.051 1037 I HN -0.047 nan 8.210 nan 0.000 0.409 1038 S N 0.693 116.373 115.700 -0.033 0.000 2.359 1038 S HA -0.254 4.146 4.470 -0.117 0.000 0.223 1038 S C 2.398 176.975 174.600 -0.037 0.000 1.039 1038 S CA 2.154 60.328 58.200 -0.045 0.000 1.042 1038 S CB -0.114 63.041 63.200 -0.076 0.000 0.915 1038 S HN 0.277 nan 8.310 nan 0.000 0.439 1039 K N 0.963 121.341 120.400 -0.037 0.000 2.032 1039 K HA -0.020 4.229 4.320 -0.117 0.000 0.209 1039 K C 2.226 178.816 176.600 -0.017 0.000 1.048 1039 K CA 1.723 57.992 56.287 -0.030 0.000 0.927 1039 K CB -0.710 31.774 32.500 -0.028 0.000 0.712 1039 K HN 0.622 nan 8.250 nan 0.000 0.441 1040 K N 0.045 120.441 120.400 -0.006 0.000 2.063 1040 K HA -0.022 4.228 4.320 -0.117 0.000 0.208 1040 K C 2.229 178.834 176.600 0.009 0.000 1.048 1040 K CA 1.859 58.150 56.287 0.006 0.000 0.928 1040 K CB -0.430 32.080 32.500 0.017 0.000 0.713 1040 K HN 0.220 nan 8.250 nan 0.000 0.442 1041 I N 1.298 121.875 120.570 0.011 0.000 2.226 1041 I HA -0.303 3.796 4.170 -0.117 0.000 0.245 1041 I C 2.176 178.285 176.117 -0.014 0.000 1.100 1041 I CA 1.419 62.728 61.300 0.015 0.000 1.374 1041 I CB -0.176 37.842 38.000 0.029 0.000 1.057 1041 I HN 0.123 nan 8.210 nan 0.000 0.413 1042 K N 0.362 120.747 120.400 -0.025 0.000 2.057 1042 K HA -0.182 4.068 4.320 -0.117 0.000 0.206 1042 K C 2.191 178.773 176.600 -0.030 0.000 1.050 1042 K CA 1.275 57.540 56.287 -0.037 0.000 0.935 1042 K CB -0.124 32.350 32.500 -0.043 0.000 0.715 1042 K HN 0.375 nan 8.250 nan 0.000 0.439 1043 Q N 0.229 120.016 119.800 -0.020 0.000 2.084 1043 Q HA -0.129 4.141 4.340 -0.117 0.000 0.202 1043 Q C 2.234 178.225 176.000 -0.014 0.000 0.978 1043 Q CA 0.977 56.772 55.803 -0.014 0.000 0.844 1043 Q CB -0.071 28.663 28.738 -0.006 0.000 0.898 1043 Q HN 0.145 nan 8.270 nan 0.000 0.426 1044 R N 1.121 121.613 120.500 -0.014 0.000 2.080 1044 R HA -0.155 4.115 4.340 -0.117 0.000 0.236 1044 R C 1.500 177.762 176.300 -0.064 0.000 1.137 1044 R CA 1.585 57.670 56.100 -0.026 0.000 0.943 1044 R CB -0.413 29.876 30.300 -0.018 0.000 0.846 1044 R HN 0.299 nan 8.270 nan 0.000 0.431 1045 N N 1.393 120.049 118.700 -0.073 0.000 2.289 1045 N HA -0.176 4.494 4.740 -0.117 0.000 0.184 1045 N C 1.539 177.016 175.510 -0.056 0.000 1.016 1045 N CA 1.487 54.484 53.050 -0.087 0.000 0.872 1045 N CB -0.245 38.198 38.487 -0.074 0.000 0.973 1045 N HN 0.569 nan 8.380 nan 0.000 0.433 1046 E N 0.040 120.217 120.200 -0.038 0.000 2.265 1046 E HA -0.100 4.180 4.350 -0.117 0.000 0.196 1046 E C 0.453 177.046 176.600 -0.012 0.000 0.996 1046 E CA 0.854 57.240 56.400 -0.024 0.000 0.832 1046 E CB -0.178 29.510 29.700 -0.019 0.000 0.756 1046 E HN 0.241 nan 8.360 nan 0.000 0.491 1047 N N 0.639 119.334 118.700 -0.009 0.000 2.336 1047 N HA 0.142 4.811 4.740 -0.117 0.000 0.189 1047 N C 0.097 175.620 175.510 0.021 0.000 1.113 1047 N CA 0.290 53.346 53.050 0.011 0.000 0.858 1047 N CB 0.472 38.972 38.487 0.022 0.000 0.970 1047 N HN 0.222 nan 8.380 nan 0.000 0.471 1048 L N 0.733 121.955 121.223 -0.001 0.000 2.343 1048 L HA 0.231 4.501 4.340 -0.117 0.000 0.275 1048 L C 1.431 178.331 176.870 0.050 0.000 1.056 1048 L CA -0.476 54.381 54.840 0.028 0.000 0.804 1048 L CB 1.387 43.422 42.059 -0.040 0.000 1.203 1048 L HN -0.075 nan 8.230 nan 0.000 0.440 1049 E N 1.026 121.292 120.200 0.110 0.000 2.106 1049 E HA -0.064 4.216 4.350 -0.117 0.000 0.192 1049 E C -0.272 176.322 176.600 -0.010 0.000 0.984 1049 E CA 0.926 57.376 56.400 0.084 0.000 0.806 1049 E CB 0.227 30.054 29.700 0.211 0.000 0.750 1049 E HN 0.292 nan 8.360 nan 0.000 0.458 1050 V N 2.748 122.681 119.914 0.031 0.000 2.380 1050 V HA 0.210 4.260 4.120 -0.117 0.000 0.272 1050 V C -2.458 173.683 176.094 0.078 0.000 1.011 1050 V CA -1.767 60.522 62.300 -0.018 0.000 0.826 1050 V CB 1.072 32.819 31.823 -0.127 0.000 1.040 1050 V HN -0.014 nan 8.190 nan 0.000 0.441 1051 P HA 0.014 nan 4.420 nan 0.000 0.266 1051 P C -1.080 176.219 177.300 -0.002 0.000 1.193 1051 P CA 0.199 63.281 63.100 -0.030 0.000 0.770 1051 P CB 0.267 31.927 31.700 -0.065 0.000 0.836 1052 Y N 4.161 124.367 120.300 -0.158 0.000 2.369 1052 Y HA 0.393 4.873 4.550 -0.117 0.000 0.337 1052 Y C 0.852 176.602 175.900 -0.250 0.000 0.961 1052 Y CA -0.335 57.654 58.100 -0.187 0.000 1.186 1052 Y CB 0.353 38.835 38.460 0.036 0.000 1.139 1052 Y HN 0.305 nan 8.280 nan 0.000 0.494 1053 I N 1.469 121.564 120.570 -0.791 0.000 4.227 1053 I HA 0.126 4.226 4.170 -0.117 0.000 0.334 1053 I C 0.120 175.969 176.117 -0.447 0.000 1.341 1053 I CA -0.106 60.911 61.300 -0.472 0.000 1.123 1053 I CB -0.045 37.766 38.000 -0.315 0.000 1.097 1053 I HN 0.502 nan 8.210 nan 0.000 0.399 1054 Y N 1.527 121.565 120.300 -0.438 0.000 2.497 1054 Y HA 0.125 4.605 4.550 -0.117 0.000 0.292 1054 Y C 1.757 177.622 175.900 -0.057 0.000 1.137 1054 Y CA 0.495 58.472 58.100 -0.205 0.000 1.285 1054 Y CB -0.094 38.242 38.460 -0.208 0.000 0.991 1054 Y HN 0.201 nan 8.280 nan 0.000 0.556 1055 L N 0.457 121.702 121.223 0.037 0.000 2.818 1055 L HA 0.198 4.468 4.340 -0.117 0.000 0.243 1055 L C -0.184 176.742 176.870 0.093 0.000 1.185 1055 L CA -0.182 54.758 54.840 0.167 0.000 0.988 1055 L CB 0.108 42.360 42.059 0.322 0.000 1.292 1055 L HN 0.152 nan 8.230 nan 0.000 0.519 1056 L N 1.683 122.913 121.223 0.011 0.000 2.462 1056 L HA 0.041 4.310 4.340 -0.117 0.000 0.272 1056 L C -1.022 175.823 176.870 -0.042 0.000 1.166 1056 L CA -1.214 53.608 54.840 -0.031 0.000 0.880 1056 L CB 0.680 42.684 42.059 -0.091 0.000 1.142 1056 L HN -0.109 nan 8.230 nan 0.000 0.473 1057 P HA -0.241 nan 4.420 nan 0.000 0.217 1057 P C 1.143 178.378 177.300 -0.109 0.000 1.148 1057 P CA 1.242 64.306 63.100 -0.060 0.000 0.834 1057 P CB 0.085 31.720 31.700 -0.109 0.000 0.783 1058 E N -0.268 119.810 120.200 -0.203 0.000 2.478 1058 E HA -0.130 4.150 4.350 -0.117 0.000 0.198 1058 E C 1.305 177.451 176.600 -0.756 0.000 1.046 1058 E CA 0.654 56.818 56.400 -0.393 0.000 0.870 1058 E CB -0.309 29.180 29.700 -0.353 0.000 0.818 1058 E HN 0.304 nan 8.360 nan 0.000 0.527 1059 R N 0.410 120.639 120.500 -0.452 0.000 2.437 1059 R HA 0.369 4.638 4.340 -0.117 0.000 0.257 1059 R C 0.179 176.449 176.300 -0.050 0.000 0.927 1059 R CA -0.125 55.705 56.100 -0.451 0.000 1.078 1059 R CB 0.726 30.913 30.300 -0.189 0.000 1.161 1059 R HN 0.139 nan 8.270 nan 0.000 0.529 1060 I N 3.085 123.739 120.570 0.140 0.000 2.328 1060 I HA 0.269 4.368 4.170 -0.117 0.000 0.287 1060 I C -2.385 173.964 176.117 0.387 0.000 1.012 1060 I CA -2.591 58.883 61.300 0.290 0.000 1.195 1060 I CB 1.624 39.745 38.000 0.202 0.000 1.350 1060 I HN -0.323 nan 8.210 nan 0.000 0.464 1061 P HA 0.097 nan 4.420 nan 0.000 0.269 1061 P C 0.292 177.717 177.300 0.208 0.000 1.209 1061 P CA -0.168 63.016 63.100 0.140 0.000 0.776 1061 P CB 0.604 32.461 31.700 0.263 0.000 0.876 1062 N N 0.415 119.179 118.700 0.106 0.000 2.205 1062 N HA -0.091 4.579 4.740 -0.117 0.000 0.186 1062 N C 1.129 176.849 175.510 0.349 0.000 1.015 1062 N CA 1.441 54.624 53.050 0.222 0.000 0.862 1062 N CB -0.251 38.227 38.487 -0.015 0.000 0.986 1062 N HN 0.543 nan 8.380 nan 0.000 0.429 1063 G N -1.707 107.243 108.800 0.249 0.000 3.211 1063 G HA2 0.423 4.313 3.960 -0.117 0.000 0.262 1063 G HA3 0.423 4.313 3.960 -0.117 0.000 0.262 1063 G C -1.175 173.868 174.900 0.239 0.000 1.352 1063 G CA -0.267 44.969 45.100 0.227 0.000 1.004 1063 G HN -0.051 nan 8.290 nan 0.000 0.559 1064 T N 0.769 115.389 114.554 0.110 0.000 2.947 1064 T HA 0.539 4.819 4.350 -0.117 0.000 0.337 1064 T C 0.522 175.162 174.700 -0.100 0.000 1.139 1064 T CA 0.413 62.381 62.100 -0.220 0.000 0.992 1064 T CB 0.961 69.613 68.868 -0.360 0.000 1.043 1064 T HN 0.816 nan 8.240 nan 0.000 0.498 1065 A N 3.336 126.221 122.820 0.109 0.000 2.551 1065 A HA 0.660 4.910 4.320 -0.117 0.000 0.252 1065 A C 0.115 177.948 177.584 0.413 0.000 1.199 1065 A CA -0.037 52.163 52.037 0.270 0.000 0.972 1065 A CB 0.317 19.498 19.000 0.301 0.000 1.153 1065 A HN 0.597 nan 8.150 nan 0.000 0.559 1066 I N 0.000 120.827 120.570 0.429 0.000 2.984 1066 I HA 0.000 4.100 4.170 -0.117 0.000 0.288 1066 I CA 0.000 61.584 61.300 0.472 0.000 1.566 1066 I CB 0.000 38.237 38.000 0.396 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494