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_C DATA FIRST_RESID 371 DATA SEQUENCE HHHAIYNVEV ETGDREHAGT DATITIRITG AKGRTDYLKL DKGSXXXFEA DATA SEQUENCE GSKEQYTVQG FDVGDIQLIE LHSDGGGYWS GDPDWFVNRV IIISSTQDRV DATA SEQUENCE YSFPCFRWVI KDMVLFPGEA TLPFNEVPAI VSEQRQKELE QRKLTYQWDY DATA SEQUENCE VSDDMPGNIK AKTHDDLPRD VQFTDEKSRS YQESRKAALV NLGIGSLFTM DATA SEQUENCE FENWDSYDDY HILYRNWILG GTPNMADRWH EDRWFGYQFL NGANPVILTR DATA SEQUENCE CDALPSNFPV TNEHVNASLD RGKNLDEEIK DGHIYIVDFK VLVGAKSYGG DATA SEQUENCE PVLEDIGYKV XXXXXXXEAD IRYCAAPLAL FYVNKLGHLM PIAIQINQEP DATA SEQUENCE GPENPIWTPH EENEHDWMMA KFWLGVAESN FHQLNTHLLR THLTTESFAL DATA SEQUENCE STWRNLASAH PIFKLLQPHI YGVLAIDTIG RKELWGSGGI VDQSLSLGGG DATA SEQUENCE GHVTFMEKCF KEVNLQDYHL PNALKKRGVD DPSKLPGFYY RDDGLALWEA DATA SEQUENCE IETFIGEIIA IFYKNDDDVK RDNEIQSWIY DVHKNGWRVN PGHQDHGVPA DATA SEQUENCE SFESREQLKE VLTSLVFTFS CQHAAVNFSQ KDHYGFTPNA PAILRHPPPK DATA SEQUENCE KKGEATLQSI LSTLPSKSQA AKAIATVYIL TKFSEDERYL GNYSATAWED DATA SEQUENCE KDALDAINRF QDKLEDISKK IKQRNENLEV PYIYLLPERI PNGTAI 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 371 H HA 0.000 nan 4.556 nan 0.000 0.296 371 H C 0.000 175.286 175.328 -0.070 0.000 0.993 371 H CA 0.000 55.968 56.048 -0.134 0.000 1.023 371 H CB 0.000 29.697 29.762 -0.108 0.000 1.292 372 H N 0.238 118.854 119.070 -0.755 0.000 2.539 372 H HA 0.261 4.816 4.556 -0.002 0.000 0.269 372 H C -0.409 174.583 175.328 -0.560 0.000 0.980 372 H CA -0.019 55.656 56.048 -0.622 0.000 1.152 372 H CB -0.221 29.158 29.762 -0.639 0.000 1.407 372 H HN 0.389 nan 8.280 nan 0.000 0.564 373 H N 0.929 119.690 119.070 -0.514 0.000 2.483 373 H HA 0.695 5.250 4.556 -0.002 0.000 0.338 373 H C -0.307 174.904 175.328 -0.195 0.000 1.152 373 H CA -0.112 55.769 56.048 -0.278 0.000 1.264 373 H CB 2.009 31.651 29.762 -0.201 0.000 1.510 373 H HN 0.460 nan 8.280 nan 0.000 0.530 374 A N 2.646 125.423 122.820 -0.072 0.000 2.423 374 A HA 0.561 4.880 4.320 -0.002 0.000 0.304 374 A C -0.921 176.424 177.584 -0.398 0.000 1.104 374 A CA -0.636 51.209 52.037 -0.321 0.000 0.757 374 A CB 1.345 19.994 19.000 -0.586 0.000 1.313 374 A HN 0.458 nan 8.150 nan 0.000 0.423 375 I N 1.220 121.554 120.570 -0.393 0.000 2.354 375 I HA 0.310 4.479 4.170 -0.002 0.000 0.292 375 I C -1.267 174.645 176.117 -0.341 0.000 0.989 375 I CA -0.330 60.815 61.300 -0.259 0.000 1.188 375 I CB 0.571 38.499 38.000 -0.119 0.000 1.342 375 I HN 0.570 nan 8.210 nan 0.000 0.457 376 Y N 4.732 125.059 120.300 0.045 0.000 2.331 376 Y HA 0.352 4.900 4.550 -0.002 0.000 0.338 376 Y C 0.638 176.585 175.900 0.078 0.000 0.992 376 Y CA -0.717 57.420 58.100 0.061 0.000 1.121 376 Y CB 1.090 39.578 38.460 0.047 0.000 1.184 376 Y HN 0.420 nan 8.280 nan 0.000 0.469 377 N N 3.151 121.984 118.700 0.221 0.000 2.414 377 N HA 0.301 5.039 4.740 -0.002 0.000 0.256 377 N C -1.221 174.420 175.510 0.218 0.000 1.029 377 N CA -0.192 52.968 53.050 0.185 0.000 0.948 377 N CB 1.917 40.482 38.487 0.130 0.000 1.102 377 N HN 0.279 nan 8.380 nan 0.000 0.496 378 V N 1.886 121.941 119.914 0.234 0.000 2.384 378 V HA 0.294 4.413 4.120 -0.002 0.000 0.287 378 V C 0.220 176.486 176.094 0.286 0.000 1.020 378 V CA -0.746 61.701 62.300 0.246 0.000 0.850 378 V CB 1.788 33.751 31.823 0.234 0.000 0.987 378 V HN 0.594 nan 8.190 nan 0.000 0.436 379 E N 3.972 124.315 120.200 0.238 0.000 2.176 379 E HA 0.684 5.033 4.350 -0.002 0.000 0.267 379 E C -1.762 174.980 176.600 0.237 0.000 0.893 379 E CA -0.502 56.038 56.400 0.234 0.000 0.761 379 E CB 2.135 31.931 29.700 0.160 0.000 1.133 379 E HN 0.476 nan 8.360 nan 0.000 0.409 380 V N 4.256 124.358 119.914 0.314 0.000 2.540 380 V HA 0.312 4.431 4.120 -0.002 0.000 0.302 380 V C -0.595 175.629 176.094 0.215 0.000 1.035 380 V CA -0.794 61.653 62.300 0.245 0.000 0.873 380 V CB 1.751 33.801 31.823 0.380 0.000 0.992 380 V HN 0.723 nan 8.190 nan 0.000 0.428 381 E N 2.464 122.699 120.200 0.058 0.000 2.129 381 E HA 0.442 4.791 4.350 -0.002 0.000 0.268 381 E C -0.759 175.808 176.600 -0.055 0.000 0.900 381 E CA -0.432 55.990 56.400 0.036 0.000 0.755 381 E CB 1.919 31.613 29.700 -0.009 0.000 1.117 381 E HN 0.606 nan 8.360 nan 0.000 0.410 382 T N 1.676 116.267 114.554 0.061 0.000 2.875 382 T HA 0.365 4.714 4.350 -0.002 0.000 0.284 382 T C 0.468 175.196 174.700 0.047 0.000 0.995 382 T CA -0.622 61.499 62.100 0.036 0.000 1.060 382 T CB 1.417 70.478 68.868 0.322 0.000 0.967 382 T HN 0.545 nan 8.240 nan 0.000 0.476 383 G N 1.224 110.062 108.800 0.063 0.000 2.636 383 G HA2 0.166 4.125 3.960 -0.002 0.000 0.246 383 G HA3 0.166 4.125 3.960 -0.002 0.000 0.246 383 G C 0.159 175.086 174.900 0.046 0.000 1.216 383 G CA -0.494 44.666 45.100 0.101 0.000 0.854 383 G HN 0.769 nan 8.290 nan 0.000 0.572 384 D N -1.139 119.272 120.400 0.017 0.000 2.355 384 D HA 0.020 4.659 4.640 -0.002 0.000 0.218 384 D C 1.524 177.819 176.300 -0.009 0.000 1.004 384 D CA 0.156 54.168 54.000 0.019 0.000 0.880 384 D CB 0.200 41.015 40.800 0.024 0.000 0.911 384 D HN 0.514 nan 8.370 nan 0.000 0.528 385 R N 1.234 121.685 120.500 -0.082 0.000 2.738 385 R HA 0.139 4.478 4.340 -0.002 0.000 0.268 385 R C 0.235 176.561 176.300 0.042 0.000 1.062 385 R CA -0.416 55.645 56.100 -0.065 0.000 1.158 385 R CB 0.562 30.741 30.300 -0.200 0.000 1.046 385 R HN -0.003 nan 8.270 nan 0.000 0.493 386 E N 1.130 121.379 120.200 0.082 0.000 2.452 386 E HA -0.168 4.180 4.350 -0.002 0.000 0.261 386 E C -0.385 176.368 176.600 0.255 0.000 0.987 386 E CA 0.284 56.733 56.400 0.081 0.000 0.926 386 E CB 0.200 29.942 29.700 0.071 0.000 0.934 386 E HN 0.774 nan 8.360 nan 0.000 0.452 387 H N 0.657 119.870 119.070 0.238 0.000 3.179 387 H HA -0.255 4.300 4.556 -0.002 0.000 0.250 387 H C 0.960 176.585 175.328 0.496 0.000 1.142 387 H CA 0.775 57.016 56.048 0.320 0.000 1.165 387 H CB -1.709 28.221 29.762 0.279 0.000 1.253 387 H HN 0.572 nan 8.280 nan 0.000 0.325 388 A N 0.704 123.784 122.820 0.433 0.000 2.019 388 A HA 0.116 4.435 4.320 -0.002 0.000 0.219 388 A C 1.957 179.806 177.584 0.441 0.000 1.164 388 A CA 1.353 53.563 52.037 0.287 0.000 0.644 388 A CB -0.294 18.768 19.000 0.102 0.000 0.805 388 A HN 0.496 nan 8.150 nan 0.000 0.449 389 G N -2.040 106.993 108.800 0.389 0.000 2.580 389 G HA2 0.464 4.423 3.960 -0.002 0.000 0.278 389 G HA3 0.464 4.423 3.960 -0.002 0.000 0.278 389 G C -0.340 174.737 174.900 0.295 0.000 1.212 389 G CA 0.534 45.852 45.100 0.364 0.000 0.939 389 G HN 0.368 nan 8.290 nan 0.000 0.513 390 T N -1.755 112.859 114.554 0.101 0.000 2.894 390 T HA 0.387 4.736 4.350 -0.002 0.000 0.309 390 T C -0.784 173.914 174.700 -0.002 0.000 1.208 390 T CA -0.241 61.863 62.100 0.006 0.000 1.016 390 T CB 1.871 70.605 68.868 -0.225 0.000 1.192 390 T HN 0.571 nan 8.240 nan 0.000 0.491 391 D N 1.702 122.115 120.400 0.021 0.000 2.462 391 D HA 0.350 4.989 4.640 -0.002 0.000 0.221 391 D C 0.689 176.987 176.300 -0.002 0.000 1.173 391 D CA -0.305 53.706 54.000 0.019 0.000 0.831 391 D CB -0.008 40.823 40.800 0.051 0.000 1.001 391 D HN 0.635 nan 8.370 nan 0.000 0.499 392 A N 0.217 123.008 122.820 -0.048 0.000 2.406 392 A HA 0.437 4.756 4.320 -0.002 0.000 0.243 392 A C 0.533 178.077 177.584 -0.066 0.000 1.082 392 A CA -0.109 51.894 52.037 -0.056 0.000 0.786 392 A CB 0.051 19.002 19.000 -0.082 0.000 1.029 392 A HN 0.181 nan 8.150 nan 0.000 0.495 393 T N 2.745 117.277 114.554 -0.038 0.000 2.814 393 T HA 0.391 4.740 4.350 -0.002 0.000 0.297 393 T C 0.056 174.729 174.700 -0.045 0.000 0.956 393 T CA 0.300 62.386 62.100 -0.023 0.000 1.123 393 T CB -0.129 68.742 68.868 0.006 0.000 0.902 393 T HN 0.335 nan 8.240 nan 0.000 0.528 394 I N 4.084 124.628 120.570 -0.044 0.000 2.441 394 I HA 0.435 4.604 4.170 -0.002 0.000 0.295 394 I C 0.811 176.945 176.117 0.029 0.000 0.994 394 I CA -0.726 60.542 61.300 -0.053 0.000 1.144 394 I CB 1.603 39.475 38.000 -0.213 0.000 1.314 394 I HN 0.699 nan 8.210 nan 0.000 0.445 395 T N 3.962 118.583 114.554 0.112 0.000 2.916 395 T HA 0.790 5.139 4.350 -0.002 0.000 0.292 395 T C -0.491 174.338 174.700 0.215 0.000 1.055 395 T CA -0.760 61.441 62.100 0.169 0.000 1.009 395 T CB 2.662 71.683 68.868 0.255 0.000 1.118 395 T HN 0.477 nan 8.240 nan 0.000 0.497 396 I N 0.405 121.044 120.570 0.115 0.000 2.608 396 I HA 0.663 4.832 4.170 -0.002 0.000 0.295 396 I C -0.697 175.268 176.117 -0.253 0.000 1.049 396 I CA -1.299 59.989 61.300 -0.021 0.000 1.063 396 I CB 1.959 39.900 38.000 -0.098 0.000 1.248 396 I HN 0.747 nan 8.210 nan 0.000 0.424 397 R N 7.530 127.720 120.500 -0.517 0.000 2.494 397 R HA 0.651 4.990 4.340 -0.002 0.000 0.305 397 R C -1.638 174.359 176.300 -0.505 0.000 0.959 397 R CA -0.564 55.113 56.100 -0.706 0.000 0.864 397 R CB 1.328 30.894 30.300 -1.223 0.000 1.159 397 R HN 0.626 nan 8.270 nan 0.000 0.446 398 I N 3.188 123.478 120.570 -0.467 0.000 2.377 398 I HA 0.295 4.464 4.170 -0.002 0.000 0.293 398 I C -0.297 175.628 176.117 -0.320 0.000 0.987 398 I CA -0.590 60.440 61.300 -0.451 0.000 1.185 398 I CB 2.245 39.862 38.000 -0.639 0.000 1.341 398 I HN 0.554 nan 8.210 nan 0.000 0.455 399 T N 4.360 118.758 114.554 -0.259 0.000 2.807 399 T HA 0.716 5.065 4.350 -0.002 0.000 0.279 399 T C 0.146 174.786 174.700 -0.099 0.000 0.993 399 T CA -0.580 61.424 62.100 -0.159 0.000 0.970 399 T CB 1.879 70.652 68.868 -0.159 0.000 0.950 399 T HN 0.896 nan 8.240 nan 0.000 0.441 400 G N 0.397 109.176 108.800 -0.035 0.000 2.911 400 G HA2 0.615 4.574 3.960 -0.002 0.000 0.299 400 G HA3 0.615 4.574 3.960 -0.002 0.000 0.299 400 G C 0.747 175.667 174.900 0.034 0.000 1.283 400 G CA -0.082 45.017 45.100 -0.001 0.000 0.805 400 G HN 0.674 nan 8.290 nan 0.000 0.548 401 A N -0.738 122.113 122.820 0.052 0.000 2.015 401 A HA 0.140 4.459 4.320 -0.002 0.000 0.219 401 A C 1.836 179.461 177.584 0.069 0.000 1.163 401 A CA 1.683 53.754 52.037 0.056 0.000 0.646 401 A CB -0.219 18.816 19.000 0.059 0.000 0.806 401 A HN 0.431 nan 8.150 nan 0.000 0.448 402 K N -1.372 119.088 120.400 0.100 0.000 2.358 402 K HA 0.397 4.716 4.320 -0.002 0.000 0.200 402 K C 0.535 177.271 176.600 0.226 0.000 1.030 402 K CA 0.410 56.785 56.287 0.148 0.000 1.097 402 K CB 0.641 33.228 32.500 0.146 0.000 0.862 402 K HN 0.524 nan 8.250 nan 0.000 0.534 403 G N 0.918 109.810 108.800 0.153 0.000 2.350 403 G HA2 0.067 4.026 3.960 -0.002 0.000 0.282 403 G HA3 0.067 4.026 3.960 -0.002 0.000 0.282 403 G C -1.800 173.123 174.900 0.038 0.000 1.314 403 G CA -1.162 43.991 45.100 0.088 0.000 0.915 403 G HN 0.059 nan 8.290 nan 0.000 0.499 404 R N 0.094 120.564 120.500 -0.050 0.000 2.628 404 R HA 0.652 4.991 4.340 -0.002 0.000 0.288 404 R C 0.319 176.562 176.300 -0.095 0.000 0.980 404 R CA -0.318 55.726 56.100 -0.094 0.000 0.891 404 R CB 1.908 32.120 30.300 -0.147 0.000 1.188 404 R HN 0.925 nan 8.270 nan 0.000 0.450 405 T N -1.100 113.399 114.554 -0.091 0.000 2.748 405 T HA 0.079 4.428 4.350 -0.002 0.000 0.304 405 T C 0.364 174.982 174.700 -0.136 0.000 1.041 405 T CA -0.658 61.414 62.100 -0.046 0.000 1.033 405 T CB 0.540 69.347 68.868 -0.102 0.000 0.995 405 T HN 0.322 nan 8.240 nan 0.000 0.536 406 D N -0.110 120.255 120.400 -0.059 0.000 2.352 406 D HA 0.125 4.764 4.640 -0.002 0.000 0.238 406 D C -0.334 175.896 176.300 -0.117 0.000 1.286 406 D CA 0.062 54.032 54.000 -0.049 0.000 0.923 406 D CB -0.013 40.807 40.800 0.033 0.000 1.146 406 D HN 0.600 nan 8.370 nan 0.000 0.471 407 Y N 0.102 120.367 120.300 -0.058 0.000 2.480 407 Y HA 0.166 4.715 4.550 -0.002 0.000 0.341 407 Y C 0.276 176.156 175.900 -0.034 0.000 1.031 407 Y CA -0.031 58.033 58.100 -0.061 0.000 1.295 407 Y CB 0.134 38.545 38.460 -0.082 0.000 1.162 407 Y HN -0.046 nan 8.280 nan 0.000 0.523 408 L N 4.026 125.284 121.223 0.058 0.000 2.309 408 L HA 0.381 4.720 4.340 -0.002 0.000 0.282 408 L C 0.076 176.979 176.870 0.056 0.000 1.036 408 L CA -1.176 53.694 54.840 0.049 0.000 0.806 408 L CB 1.039 43.108 42.059 0.016 0.000 1.220 408 L HN 0.245 nan 8.230 nan 0.000 0.429 409 K N 3.718 124.149 120.400 0.052 0.000 2.412 409 K HA 0.325 4.644 4.320 -0.002 0.000 0.281 409 K C -0.098 176.494 176.600 -0.014 0.000 1.027 409 K CA -0.213 56.092 56.287 0.031 0.000 0.989 409 K CB 0.403 32.925 32.500 0.036 0.000 0.935 409 K HN 0.435 nan 8.250 nan 0.000 0.475 410 L N 2.972 124.135 121.223 -0.100 0.000 2.407 410 L HA 0.317 4.656 4.340 -0.002 0.000 0.261 410 L C -0.097 176.618 176.870 -0.259 0.000 1.108 410 L CA -0.252 54.347 54.840 -0.401 0.000 0.995 410 L CB 0.338 42.055 42.059 -0.571 0.000 1.349 410 L HN 0.662 nan 8.230 nan 0.000 0.423 411 D N 3.100 123.485 120.400 -0.025 0.000 2.517 411 D HA 0.241 4.880 4.640 -0.002 0.000 0.263 411 D C -0.678 175.669 176.300 0.078 0.000 1.233 411 D CA -0.217 53.792 54.000 0.014 0.000 0.849 411 D CB 0.647 41.456 40.800 0.015 0.000 1.261 411 D HN 0.195 nan 8.370 nan 0.000 0.516 412 K N 2.342 122.821 120.400 0.131 0.000 2.618 412 K HA 0.507 4.826 4.320 -0.002 0.000 0.322 412 K C -0.261 176.332 176.600 -0.012 0.000 1.267 412 K CA 0.000 56.337 56.287 0.082 0.000 1.083 412 K CB 0.281 32.861 32.500 0.134 0.000 1.386 412 K HN 0.524 nan 8.250 nan 0.000 0.509 413 G N 1.509 110.267 108.800 -0.070 0.000 2.728 413 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.294 413 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.294 413 G C -0.504 174.286 174.900 -0.184 0.000 1.342 413 G CA -0.331 44.696 45.100 -0.122 0.000 0.866 413 G HN 0.853 nan 8.290 nan 0.000 0.534 419 E N 1.310 121.662 120.200 0.253 0.000 2.314 419 E HA 0.582 4.930 4.350 -0.002 0.000 0.262 419 E C 0.127 176.864 176.600 0.229 0.000 1.093 419 E CA -0.549 55.970 56.400 0.198 0.000 0.908 419 E CB 1.395 31.168 29.700 0.122 0.000 1.091 419 E HN 0.500 nan 8.360 nan 0.000 0.425 420 A N 0.429 123.360 122.820 0.185 0.000 2.567 420 A HA 0.324 4.643 4.320 -0.002 0.000 0.240 420 A C 1.262 178.922 177.584 0.126 0.000 1.053 420 A CA 1.032 53.161 52.037 0.155 0.000 0.755 420 A CB -0.711 18.355 19.000 0.110 0.000 0.978 420 A HN 0.803 nan 8.150 nan 0.000 0.507 421 G N 1.619 110.491 108.800 0.120 0.000 2.179 421 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.260 421 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.260 421 G C 0.581 175.549 174.900 0.113 0.000 0.977 421 G CA 0.934 46.092 45.100 0.097 0.000 0.641 421 G HN 2.198 nan 8.290 nan 0.000 0.533 422 S N -0.663 115.131 115.700 0.157 0.000 2.601 422 S HA 0.672 5.141 4.470 -0.002 0.000 0.271 422 S C -0.237 174.469 174.600 0.177 0.000 1.305 422 S CA 0.083 58.380 58.200 0.161 0.000 1.022 422 S CB 2.114 65.433 63.200 0.199 0.000 0.940 422 S HN 0.643 nan 8.310 nan 0.000 0.525 423 K N 1.912 122.397 120.400 0.143 0.000 2.483 423 K HA 0.484 4.802 4.320 -0.002 0.000 0.256 423 K C -1.149 175.532 176.600 0.136 0.000 0.961 423 K CA -0.758 55.616 56.287 0.146 0.000 0.873 423 K CB 1.181 33.741 32.500 0.098 0.000 1.107 423 K HN 0.764 nan 8.250 nan 0.000 0.432 424 E N 1.830 122.159 120.200 0.216 0.000 2.212 424 E HA 0.341 4.690 4.350 -0.002 0.000 0.268 424 E C -0.540 176.098 176.600 0.063 0.000 0.902 424 E CA -0.706 55.764 56.400 0.116 0.000 0.779 424 E CB 2.065 31.911 29.700 0.244 0.000 1.172 424 E HN 0.497 nan 8.360 nan 0.000 0.409 425 Q N 1.743 121.393 119.800 -0.249 0.000 2.309 425 Q HA 0.537 4.876 4.340 -0.002 0.000 0.264 425 Q C -1.055 174.600 176.000 -0.575 0.000 1.008 425 Q CA -0.708 54.974 55.803 -0.200 0.000 0.853 425 Q CB 1.823 30.496 28.738 -0.108 0.000 1.314 425 Q HN 0.435 nan 8.270 nan 0.000 0.448 426 Y N -0.400 119.948 120.300 0.079 0.000 2.524 426 Y HA 0.414 4.963 4.550 -0.002 0.000 0.347 426 Y C -0.343 175.603 175.900 0.076 0.000 1.005 426 Y CA -0.801 57.340 58.100 0.069 0.000 1.025 426 Y CB 2.655 41.171 38.460 0.094 0.000 1.275 426 Y HN 0.396 nan 8.280 nan 0.000 0.460 427 T N 3.167 117.831 114.554 0.183 0.000 2.864 427 T HA 0.585 4.934 4.350 -0.002 0.000 0.299 427 T C -1.024 173.762 174.700 0.144 0.000 1.011 427 T CA -0.690 61.493 62.100 0.138 0.000 0.975 427 T CB 0.410 69.320 68.868 0.069 0.000 0.962 427 T HN 0.531 nan 8.240 nan 0.000 0.448 428 V N 1.803 121.820 119.914 0.173 0.000 2.823 428 V HA 0.713 4.832 4.120 -0.002 0.000 0.312 428 V C -0.625 175.570 176.094 0.168 0.000 1.072 428 V CA -1.169 61.225 62.300 0.156 0.000 0.937 428 V CB 2.028 33.948 31.823 0.161 0.000 1.013 428 V HN 0.805 nan 8.190 nan 0.000 0.430 429 Q N 1.233 121.089 119.800 0.093 0.000 2.245 429 Q HA 0.774 5.113 4.340 -0.002 0.000 0.256 429 Q C -0.147 175.926 176.000 0.123 0.000 0.942 429 Q CA 0.104 55.928 55.803 0.036 0.000 0.896 429 Q CB 1.842 30.506 28.738 -0.123 0.000 1.272 429 Q HN 1.333 nan 8.270 nan 0.000 0.442 430 G N 1.743 110.698 108.800 0.258 0.000 2.606 430 G HA2 0.273 4.232 3.960 -0.002 0.000 0.300 430 G HA3 0.273 4.232 3.960 -0.002 0.000 0.300 430 G C -1.840 173.417 174.900 0.596 0.000 1.360 430 G CA -0.959 44.382 45.100 0.401 0.000 0.783 430 G HN 0.645 nan 8.290 nan 0.000 0.484 431 F N 1.163 121.340 119.950 0.378 0.000 2.608 431 F HA 0.265 4.791 4.527 -0.002 0.000 0.380 431 F C 0.713 176.675 175.800 0.270 0.000 1.083 431 F CA -0.025 58.134 58.000 0.265 0.000 1.266 431 F CB 0.816 39.906 39.000 0.150 0.000 1.076 431 F HN 0.355 nan 8.300 nan 0.000 0.574 432 D N 5.216 125.444 120.400 -0.287 0.000 2.363 432 D HA 0.040 4.679 4.640 -0.002 0.000 0.263 432 D C 0.821 177.089 176.300 -0.053 0.000 1.258 432 D CA 0.034 53.946 54.000 -0.148 0.000 0.907 432 D CB 0.854 41.497 40.800 -0.261 0.000 1.107 432 D HN 0.377 nan 8.370 nan 0.000 0.495 433 V N 2.175 122.218 119.914 0.216 0.000 3.649 433 V HA 0.415 4.534 4.120 -0.002 0.000 0.275 433 V C 1.317 177.483 176.094 0.121 0.000 1.281 433 V CA 0.545 62.970 62.300 0.208 0.000 1.143 433 V CB -0.874 31.047 31.823 0.163 0.000 0.892 433 V HN 0.758 nan 8.190 nan 0.000 0.441 434 G N 1.282 110.136 108.800 0.090 0.000 2.528 434 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.262 434 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.262 434 G C -0.283 174.680 174.900 0.105 0.000 1.200 434 G CA 0.433 45.581 45.100 0.079 0.000 0.951 434 G HN 0.834 nan 8.290 nan 0.000 0.566 435 D N 0.779 121.248 120.400 0.114 0.000 2.450 435 D HA 0.358 4.997 4.640 -0.002 0.000 0.247 435 D C 0.997 177.328 176.300 0.052 0.000 1.162 435 D CA 0.035 54.135 54.000 0.167 0.000 0.879 435 D CB 0.051 40.951 40.800 0.167 0.000 1.163 435 D HN 0.515 nan 8.370 nan 0.000 0.472 436 I N 3.695 124.161 120.570 -0.173 0.000 2.441 436 I HA 0.027 4.196 4.170 -0.002 0.000 0.287 436 I C 1.343 177.382 176.117 -0.130 0.000 1.049 436 I CA 0.054 61.149 61.300 -0.341 0.000 1.381 436 I CB 1.143 38.650 38.000 -0.821 0.000 1.409 436 I HN 0.504 nan 8.210 nan 0.000 0.523 437 Q N 5.668 125.450 119.800 -0.031 0.000 2.353 437 Q HA 0.425 4.764 4.340 -0.002 0.000 0.240 437 Q C -0.287 175.768 176.000 0.093 0.000 0.868 437 Q CA 0.181 56.015 55.803 0.051 0.000 0.944 437 Q CB 1.624 30.382 28.738 0.033 0.000 1.104 437 Q HN 0.613 nan 8.270 nan 0.000 0.531 438 L N 0.316 121.558 121.223 0.032 0.000 2.724 438 L HA 0.480 4.819 4.340 -0.002 0.000 0.258 438 L C -1.977 174.717 176.870 -0.294 0.000 0.967 438 L CA -0.950 53.849 54.840 -0.068 0.000 0.891 438 L CB 1.862 43.812 42.059 -0.183 0.000 1.456 438 L HN 0.132 nan 8.230 nan 0.000 0.416 439 I N -0.869 119.397 120.570 -0.506 0.000 3.145 439 I HA 0.735 4.904 4.170 -0.002 0.000 0.313 439 I C -1.357 174.503 176.117 -0.429 0.000 1.122 439 I CA -0.567 60.386 61.300 -0.578 0.000 0.987 439 I CB 2.473 39.947 38.000 -0.877 0.000 1.236 439 I HN 0.624 nan 8.210 nan 0.000 0.453 440 E N 2.816 122.815 120.200 -0.335 0.000 2.314 440 E HA 0.637 4.986 4.350 -0.002 0.000 0.272 440 E C -1.623 174.944 176.600 -0.055 0.000 0.884 440 E CA -0.708 55.590 56.400 -0.170 0.000 0.753 440 E CB 3.146 32.807 29.700 -0.065 0.000 1.213 440 E HN 0.464 nan 8.360 nan 0.000 0.432 441 L N 2.232 123.464 121.223 0.014 0.000 2.329 441 L HA 0.528 4.867 4.340 -0.002 0.000 0.279 441 L C -0.650 176.343 176.870 0.204 0.000 1.014 441 L CA -0.829 54.070 54.840 0.099 0.000 0.814 441 L CB 1.320 43.391 42.059 0.020 0.000 1.257 441 L HN 0.567 nan 8.230 nan 0.000 0.424 442 H N 1.386 120.541 119.070 0.141 0.000 2.572 442 H HA 0.559 5.114 4.556 -0.002 0.000 0.359 442 H C -1.078 174.265 175.328 0.026 0.000 1.134 442 H CA -0.351 55.714 56.048 0.028 0.000 1.187 442 H CB 2.098 31.748 29.762 -0.186 0.000 1.597 442 H HN 0.484 nan 8.280 nan 0.000 0.524 443 S N 2.192 117.535 115.700 -0.595 0.000 2.500 443 S HA 0.141 4.610 4.470 -0.002 0.000 0.301 443 S C 0.176 174.459 174.600 -0.529 0.000 1.092 443 S CA -0.559 57.423 58.200 -0.362 0.000 1.030 443 S CB 0.865 63.979 63.200 -0.144 0.000 1.031 443 S HN 0.842 nan 8.310 nan 0.000 0.483 444 D N 3.026 123.291 120.400 -0.224 0.000 2.363 444 D HA 0.129 4.768 4.640 -0.002 0.000 0.226 444 D C 1.352 177.599 176.300 -0.089 0.000 1.020 444 D CA 0.841 54.779 54.000 -0.104 0.000 0.892 444 D CB -0.632 40.169 40.800 0.000 0.000 0.900 444 D HN 1.125 nan 8.370 nan 0.000 0.531 445 G N -0.585 108.151 108.800 -0.106 0.000 2.162 445 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.260 445 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.260 445 G C 0.803 175.682 174.900 -0.035 0.000 0.976 445 G CA 0.411 45.474 45.100 -0.062 0.000 0.655 445 G HN 1.415 nan 8.290 nan 0.000 0.533 446 G N -1.771 107.014 108.800 -0.026 0.000 2.712 446 G HA2 0.477 4.436 3.960 -0.002 0.000 0.686 446 G HA3 0.477 4.436 3.960 -0.002 0.000 0.686 446 G C 0.764 175.668 174.900 0.006 0.000 1.321 446 G CA 0.508 45.607 45.100 -0.002 0.000 0.813 446 G HN 1.999 nan 8.290 nan 0.000 0.599 447 G N -1.003 107.819 108.800 0.037 0.000 2.525 447 G HA2 0.550 4.508 3.960 -0.002 0.000 0.287 447 G HA3 0.550 4.508 3.960 -0.002 0.000 0.287 447 G C 0.888 175.792 174.900 0.006 0.000 1.350 447 G CA 0.545 45.673 45.100 0.046 0.000 1.039 447 G HN 1.389 nan 8.290 nan 0.000 0.513 448 Y N -0.982 119.199 120.300 -0.198 0.000 2.241 448 Y HA -0.213 4.336 4.550 -0.002 0.000 0.286 448 Y C 2.132 177.767 175.900 -0.442 0.000 1.166 448 Y CA 1.945 59.803 58.100 -0.403 0.000 1.203 448 Y CB -0.016 38.065 38.460 -0.631 0.000 0.977 448 Y HN 0.508 nan 8.280 nan 0.000 0.529 449 W N -0.021 121.319 121.300 0.066 0.000 3.256 449 W HA 0.194 4.853 4.660 -0.002 0.000 0.269 449 W C 0.703 177.206 176.519 -0.027 0.000 1.310 449 W CA 0.033 57.382 57.345 0.005 0.000 1.673 449 W CB -0.119 29.391 29.460 0.083 0.000 1.115 449 W HN -0.268 nan 8.180 nan 0.000 0.686 450 S N 0.886 116.659 115.700 0.121 0.000 2.510 450 S HA 0.214 4.683 4.470 -0.002 0.000 0.279 450 S C 1.288 175.913 174.600 0.042 0.000 1.284 450 S CA 0.192 58.441 58.200 0.083 0.000 1.059 450 S CB 1.300 64.527 63.200 0.046 0.000 0.901 450 S HN 0.358 nan 8.310 nan 0.000 0.491 451 G N 1.645 110.487 108.800 0.071 0.000 2.417 451 G HA2 0.015 3.974 3.960 -0.002 0.000 0.212 451 G HA3 0.015 3.974 3.960 -0.002 0.000 0.212 451 G C 0.066 174.979 174.900 0.022 0.000 1.187 451 G CA 0.240 45.372 45.100 0.053 0.000 0.804 451 G HN 0.676 nan 8.290 nan 0.000 0.534 452 D N -0.692 119.745 120.400 0.061 0.000 2.517 452 D HA 0.321 4.960 4.640 -0.002 0.000 0.263 452 D C -1.516 174.844 176.300 0.099 0.000 1.233 452 D CA -1.328 52.693 54.000 0.035 0.000 0.849 452 D CB 1.460 42.256 40.800 -0.006 0.000 1.261 452 D HN -0.024 nan 8.370 nan 0.000 0.516 453 P HA -0.074 nan 4.420 nan 0.000 0.219 453 P C -0.213 177.178 177.300 0.151 0.000 1.146 453 P CA 0.581 63.725 63.100 0.074 0.000 0.808 453 P CB 0.147 31.860 31.700 0.022 0.000 0.779 454 D N -0.257 120.246 120.400 0.173 0.000 2.449 454 D HA 0.035 4.674 4.640 -0.002 0.000 0.236 454 D C -0.314 176.363 176.300 0.628 0.000 1.149 454 D CA 0.552 54.747 54.000 0.326 0.000 0.878 454 D CB 0.138 41.041 40.800 0.173 0.000 1.198 454 D HN 0.099 nan 8.370 nan 0.000 0.446 455 W N 3.562 125.117 121.300 0.424 0.000 2.900 455 W HA 0.404 5.063 4.660 -0.002 0.000 0.336 455 W C -2.003 174.532 176.519 0.026 0.000 1.064 455 W CA -1.519 55.959 57.345 0.221 0.000 1.237 455 W CB 0.625 30.083 29.460 -0.002 0.000 1.391 455 W HN 0.188 nan 8.180 nan 0.000 0.468 456 F N 7.040 126.724 119.950 -0.443 0.000 2.361 456 F HA 0.612 5.138 4.527 -0.002 0.000 0.364 456 F C -0.842 174.447 175.800 -0.853 0.000 1.120 456 F CA -0.634 56.768 58.000 -0.996 0.000 1.102 456 F CB 0.758 38.815 39.000 -1.572 0.000 1.183 456 F HN -0.013 nan 8.300 nan 0.000 0.476 457 V N 7.522 126.627 119.914 -1.348 0.000 2.417 457 V HA 0.194 4.313 4.120 -0.002 0.000 0.291 457 V C 0.584 176.053 176.094 -1.042 0.000 1.024 457 V CA -0.493 61.133 62.300 -1.123 0.000 0.861 457 V CB 1.465 32.538 31.823 -1.250 0.000 0.985 457 V HN 0.874 nan 8.190 nan 0.000 0.436 458 N N 3.111 121.336 118.700 -0.792 0.000 2.148 458 N HA 0.051 4.790 4.740 -0.002 0.000 0.186 458 N C 0.804 175.675 175.510 -1.065 0.000 1.031 458 N CA 0.624 52.956 53.050 -1.196 0.000 0.848 458 N CB 0.309 38.342 38.487 -0.756 0.000 1.005 458 N HN 0.587 nan 8.380 nan 0.000 0.427 459 R N 0.087 120.268 120.500 -0.532 0.000 2.664 459 R HA 0.372 4.711 4.340 -0.002 0.000 0.266 459 R C -2.264 173.960 176.300 -0.126 0.000 1.046 459 R CA -0.402 55.544 56.100 -0.258 0.000 0.885 459 R CB 1.397 31.625 30.300 -0.120 0.000 1.254 459 R HN -0.212 nan 8.270 nan 0.000 0.465 460 V N 4.546 124.463 119.914 0.004 0.000 2.656 460 V HA 0.581 4.700 4.120 -0.002 0.000 0.307 460 V C -0.443 175.788 176.094 0.229 0.000 1.051 460 V CA -0.671 61.672 62.300 0.071 0.000 0.893 460 V CB 1.930 33.744 31.823 -0.015 0.000 0.999 460 V HN 0.601 nan 8.190 nan 0.000 0.426 461 I N 5.080 125.777 120.570 0.212 0.000 2.509 461 I HA 0.565 4.734 4.170 -0.002 0.000 0.293 461 I C -0.701 175.581 176.117 0.274 0.000 1.020 461 I CA -0.275 61.177 61.300 0.254 0.000 1.088 461 I CB 1.896 39.997 38.000 0.169 0.000 1.267 461 I HN 0.381 nan 8.210 nan 0.000 0.430 462 I N 6.579 127.365 120.570 0.361 0.000 2.647 462 I HA 0.503 4.672 4.170 -0.002 0.000 0.295 462 I C -0.885 175.465 176.117 0.388 0.000 1.078 462 I CA -0.654 60.854 61.300 0.346 0.000 1.048 462 I CB 2.463 40.660 38.000 0.328 0.000 1.239 462 I HN 0.370 nan 8.210 nan 0.000 0.421 463 I N 3.806 124.565 120.570 0.314 0.000 2.418 463 I HA 0.211 4.380 4.170 -0.002 0.000 0.287 463 I C 0.024 176.301 176.117 0.267 0.000 1.008 463 I CA -0.300 61.167 61.300 0.278 0.000 1.104 463 I CB 2.096 40.193 38.000 0.162 0.000 1.264 463 I HN 0.489 nan 8.210 nan 0.000 0.438 464 S N 3.151 119.026 115.700 0.291 0.000 2.525 464 S HA 0.155 4.624 4.470 -0.002 0.000 0.278 464 S C 1.304 175.907 174.600 0.005 0.000 1.234 464 S CA -0.318 57.943 58.200 0.101 0.000 1.058 464 S CB 1.117 64.427 63.200 0.184 0.000 0.983 464 S HN 0.743 nan 8.310 nan 0.000 0.495 465 S N 2.845 118.470 115.700 -0.126 0.000 2.500 465 S HA -0.111 4.358 4.470 -0.002 0.000 0.239 465 S C 1.462 176.026 174.600 -0.060 0.000 0.989 465 S CA 1.351 59.499 58.200 -0.087 0.000 0.951 465 S CB -0.891 62.234 63.200 -0.125 0.000 0.759 465 S HN 0.927 nan 8.310 nan 0.000 0.523 466 T N -2.455 112.064 114.554 -0.057 0.000 3.069 466 T HA 0.275 4.624 4.350 -0.002 0.000 0.252 466 T C 0.299 175.019 174.700 0.033 0.000 1.053 466 T CA -0.407 61.681 62.100 -0.020 0.000 0.964 466 T CB 0.040 68.888 68.868 -0.034 0.000 1.005 466 T HN 0.203 nan 8.240 nan 0.000 0.532 467 Q N 1.741 121.587 119.800 0.076 0.000 2.356 467 Q HA 0.366 4.705 4.340 -0.002 0.000 0.270 467 Q C -1.571 174.471 176.000 0.070 0.000 1.058 467 Q CA -0.449 55.425 55.803 0.117 0.000 0.802 467 Q CB 2.075 30.981 28.738 0.281 0.000 1.303 467 Q HN 0.255 nan 8.270 nan 0.000 0.444 468 D N 2.490 122.906 120.400 0.025 0.000 2.631 468 D HA 0.197 4.836 4.640 -0.002 0.000 0.227 468 D C -0.621 175.642 176.300 -0.062 0.000 1.146 468 D CA 0.097 54.091 54.000 -0.010 0.000 1.009 468 D CB 0.132 40.925 40.800 -0.010 0.000 1.057 468 D HN 0.255 nan 8.370 nan 0.000 0.509 469 R N 0.796 121.236 120.500 -0.100 0.000 2.690 469 R HA 0.427 4.766 4.340 -0.002 0.000 0.269 469 R C -1.619 174.529 176.300 -0.254 0.000 1.037 469 R CA -0.953 54.983 56.100 -0.273 0.000 0.877 469 R CB 1.790 31.721 30.300 -0.615 0.000 1.255 469 R HN -0.026 nan 8.270 nan 0.000 0.467 470 V N 2.429 122.177 119.914 -0.277 0.000 2.448 470 V HA 0.435 4.554 4.120 -0.002 0.000 0.295 470 V C -1.204 174.756 176.094 -0.223 0.000 1.025 470 V CA -0.741 61.484 62.300 -0.126 0.000 0.859 470 V CB 1.323 33.122 31.823 -0.039 0.000 0.988 470 V HN 0.544 nan 8.190 nan 0.000 0.431 471 Y N 2.254 122.575 120.300 0.036 0.000 2.330 471 Y HA 0.579 5.127 4.550 -0.002 0.000 0.336 471 Y C 0.634 176.455 175.900 -0.131 0.000 1.036 471 Y CA -0.207 57.848 58.100 -0.075 0.000 1.125 471 Y CB 1.977 40.462 38.460 0.042 0.000 1.194 471 Y HN 0.557 nan 8.280 nan 0.000 0.469 472 S N 3.847 119.426 115.700 -0.201 0.000 2.478 472 S HA 0.665 5.134 4.470 -0.002 0.000 0.312 472 S C -1.430 172.952 174.600 -0.363 0.000 1.094 472 S CA -0.555 57.569 58.200 -0.126 0.000 1.081 472 S CB 0.071 63.247 63.200 -0.039 0.000 1.007 472 S HN 0.450 nan 8.310 nan 0.000 0.475 473 F N 5.879 125.861 119.950 0.052 0.000 2.564 473 F HA 0.386 4.912 4.527 -0.002 0.000 0.368 473 F C -2.120 173.669 175.800 -0.018 0.000 1.127 473 F CA -2.021 55.990 58.000 0.018 0.000 1.170 473 F CB 1.465 40.448 39.000 -0.029 0.000 1.397 473 F HN 0.347 nan 8.300 nan 0.000 0.493 474 P HA 0.055 nan 4.420 nan 0.000 0.271 474 P C 0.030 177.363 177.300 0.055 0.000 1.218 474 P CA 0.066 63.242 63.100 0.126 0.000 0.780 474 P CB 2.271 34.115 31.700 0.239 0.000 0.901 475 C N 2.560 121.788 119.300 -0.121 0.000 3.120 475 C HA 0.343 4.802 4.460 -0.002 0.000 0.222 475 C C 0.326 175.269 174.990 -0.078 0.000 2.428 475 C CA 0.108 59.019 59.018 -0.178 0.000 1.422 475 C CB -1.309 26.189 27.740 -0.404 0.000 1.236 475 C HN 0.536 nan 8.230 nan 0.000 0.746 476 F N 1.924 121.648 119.950 -0.376 0.000 3.071 476 F HA -0.103 4.423 4.527 -0.002 0.000 0.295 476 F C 0.273 175.797 175.800 -0.460 0.000 0.919 476 F CA 0.996 58.770 58.000 -0.377 0.000 1.050 476 F CB -1.652 37.343 39.000 -0.008 0.000 1.040 476 F HN 0.474 nan 8.300 nan 0.000 0.692 477 R N -1.918 118.111 120.500 -0.786 0.000 2.799 477 R HA 0.483 4.822 4.340 -0.002 0.000 0.270 477 R C -1.141 174.733 176.300 -0.711 0.000 1.010 477 R CA -1.128 54.730 56.100 -0.403 0.000 0.916 477 R CB 1.134 31.442 30.300 0.014 0.000 1.228 477 R HN 0.105 nan 8.270 nan 0.000 0.469 478 W N 1.126 122.346 121.300 -0.134 0.000 2.304 478 W HA 0.258 4.917 4.660 -0.002 0.000 0.313 478 W C -0.019 176.442 176.519 -0.096 0.000 1.323 478 W CA -0.286 57.029 57.345 -0.051 0.000 1.223 478 W CB 0.811 30.339 29.460 0.113 0.000 1.237 478 W HN 0.065 nan 8.180 nan 0.000 0.535 479 V N 6.679 126.656 119.914 0.106 0.000 2.385 479 V HA 0.049 4.168 4.120 -0.002 0.000 0.269 479 V C 0.851 177.059 176.094 0.191 0.000 1.043 479 V CA -0.273 62.075 62.300 0.080 0.000 0.906 479 V CB 0.532 32.357 31.823 0.004 0.000 0.995 479 V HN 0.558 nan 8.190 nan 0.000 0.467 480 I N 3.639 124.277 120.570 0.113 0.000 2.962 480 I HA 0.090 4.259 4.170 -0.002 0.000 0.246 480 I C 1.885 178.000 176.117 -0.004 0.000 1.091 480 I CA 0.838 62.180 61.300 0.070 0.000 1.469 480 I CB -0.529 37.488 38.000 0.029 0.000 1.324 480 I HN 0.601 nan 8.210 nan 0.000 0.461 481 K N -0.693 119.686 120.400 -0.036 0.000 2.509 481 K HA 0.202 4.521 4.320 -0.002 0.000 0.205 481 K C -0.153 176.374 176.600 -0.121 0.000 1.336 481 K CA 0.315 56.523 56.287 -0.132 0.000 0.912 481 K CB 0.365 32.816 32.500 -0.081 0.000 1.568 481 K HN 0.272 nan 8.250 nan 0.000 0.475 482 D N -0.008 120.390 120.400 -0.002 0.000 2.575 482 D HA 0.450 5.089 4.640 -0.002 0.000 0.236 482 D C -1.141 175.181 176.300 0.035 0.000 1.075 482 D CA -0.442 53.594 54.000 0.060 0.000 0.860 482 D CB 1.925 42.787 40.800 0.104 0.000 1.475 482 D HN 0.202 nan 8.370 nan 0.000 0.474 483 M N 1.864 121.478 119.600 0.024 0.000 2.238 483 M HA 0.247 4.725 4.480 -0.002 0.000 0.278 483 M C -2.183 174.079 176.300 -0.064 0.000 1.040 483 M CA -0.566 54.721 55.300 -0.022 0.000 0.969 483 M CB 1.780 34.337 32.600 -0.072 0.000 1.694 483 M HN 0.043 nan 8.290 nan 0.000 0.472 484 V N 6.157 126.023 119.914 -0.081 0.000 2.465 484 V HA 0.566 4.685 4.120 -0.002 0.000 0.279 484 V C -0.354 175.589 176.094 -0.251 0.000 1.045 484 V CA -0.491 61.684 62.300 -0.208 0.000 0.938 484 V CB 1.204 32.880 31.823 -0.245 0.000 0.986 484 V HN 0.814 nan 8.190 nan 0.000 0.467 485 L N 4.825 125.848 121.223 -0.333 0.000 2.365 485 L HA 0.624 4.963 4.340 -0.002 0.000 0.273 485 L C -0.964 175.821 176.870 -0.142 0.000 1.000 485 L CA -0.349 54.403 54.840 -0.147 0.000 0.819 485 L CB 1.975 43.987 42.059 -0.079 0.000 1.284 485 L HN 0.452 nan 8.230 nan 0.000 0.418 486 F N 2.654 122.709 119.950 0.175 0.000 2.425 486 F HA 0.603 5.129 4.527 -0.002 0.000 0.331 486 F C -2.100 173.796 175.800 0.160 0.000 1.085 486 F CA -1.964 56.137 58.000 0.167 0.000 1.028 486 F CB 1.343 40.353 39.000 0.016 0.000 1.177 486 F HN 0.229 nan 8.300 nan 0.000 0.487 487 P HA 0.547 nan 4.420 nan 0.000 0.295 487 P C -0.029 177.164 177.300 -0.178 0.000 1.319 487 P CA -0.317 62.516 63.100 -0.444 0.000 0.940 487 P CB 2.041 33.275 31.700 -0.777 0.000 1.192 488 G N -0.022 108.664 108.800 -0.191 0.000 2.525 488 G HA2 0.071 4.030 3.960 -0.002 0.000 0.248 488 G HA3 0.071 4.030 3.960 -0.002 0.000 0.248 488 G C 0.030 174.926 174.900 -0.007 0.000 1.238 488 G CA 0.129 45.187 45.100 -0.071 0.000 0.926 488 G HN 0.793 nan 8.290 nan 0.000 0.574 489 E N -0.479 119.738 120.200 0.028 0.000 2.342 489 E HA 0.829 5.178 4.350 -0.002 0.000 0.257 489 E C 0.917 177.542 176.600 0.040 0.000 1.150 489 E CA 0.669 57.123 56.400 0.090 0.000 0.926 489 E CB 0.488 30.269 29.700 0.136 0.000 1.074 489 E HN 2.374 nan 8.360 nan 0.000 0.449 490 A N 0.645 123.491 122.820 0.044 0.000 2.425 490 A HA 0.570 4.889 4.320 -0.002 0.000 0.242 490 A C 0.680 178.150 177.584 -0.190 0.000 1.077 490 A CA 0.617 52.531 52.037 -0.205 0.000 0.781 490 A CB -0.177 18.520 19.000 -0.505 0.000 1.020 490 A HN 1.353 nan 8.150 nan 0.000 0.494 491 T N -0.296 114.048 114.554 -0.350 0.000 2.909 491 T HA 0.620 4.969 4.350 -0.002 0.000 0.299 491 T C -0.339 174.008 174.700 -0.588 0.000 1.073 491 T CA -0.789 61.096 62.100 -0.359 0.000 0.999 491 T CB 0.674 69.386 68.868 -0.259 0.000 1.098 491 T HN 0.493 nan 8.240 nan 0.000 0.477 492 L N 2.679 123.496 121.223 -0.677 0.000 2.436 492 L HA 0.310 4.649 4.340 -0.002 0.000 0.265 492 L C -0.966 175.519 176.870 -0.641 0.000 1.168 492 L CA -2.291 52.051 54.840 -0.830 0.000 0.815 492 L CB 0.609 41.996 42.059 -1.121 0.000 1.109 492 L HN 0.515 nan 8.230 nan 0.000 0.462 493 P HA -0.197 nan 4.420 nan 0.000 0.221 493 P C 0.999 178.229 177.300 -0.116 0.000 1.145 493 P CA 1.512 64.501 63.100 -0.183 0.000 0.795 493 P CB -0.024 31.668 31.700 -0.014 0.000 0.775 494 F N -1.298 118.628 119.950 -0.040 0.000 2.749 494 F HA 0.304 4.829 4.527 -0.002 0.000 0.300 494 F C 0.424 176.207 175.800 -0.029 0.000 1.103 494 F CA -1.450 56.538 58.000 -0.020 0.000 1.342 494 F CB -1.895 37.103 39.000 -0.004 0.000 1.098 494 F HN -0.266 nan 8.300 nan 0.000 0.586 495 N N 1.940 120.415 118.700 -0.376 0.000 2.454 495 N HA 0.261 5.000 4.740 -0.002 0.000 0.254 495 N C 0.277 175.758 175.510 -0.048 0.000 1.228 495 N CA 0.417 53.356 53.050 -0.185 0.000 0.900 495 N CB 0.391 38.712 38.487 -0.276 0.000 1.089 495 N HN 0.512 nan 8.380 nan 0.000 0.449 496 E N 1.376 121.579 120.200 0.005 0.000 2.324 496 E HA 0.357 4.706 4.350 -0.002 0.000 0.271 496 E C -0.553 176.055 176.600 0.013 0.000 1.028 496 E CA -0.256 56.159 56.400 0.025 0.000 0.890 496 E CB 0.843 30.564 29.700 0.036 0.000 1.004 496 E HN 0.305 nan 8.360 nan 0.000 0.431 497 V N 4.151 124.078 119.914 0.022 0.000 3.087 497 V HA 0.526 4.645 4.120 -0.002 0.000 0.306 497 V C -2.341 173.779 176.094 0.043 0.000 1.187 497 V CA -1.560 60.759 62.300 0.031 0.000 0.999 497 V CB 2.575 34.410 31.823 0.020 0.000 1.049 497 V HN 0.837 nan 8.190 nan 0.000 0.431 498 P HA 0.146 nan 4.420 nan 0.000 0.267 498 P C 0.573 177.901 177.300 0.047 0.000 1.201 498 P CA 0.430 63.558 63.100 0.047 0.000 0.775 498 P CB 0.591 32.320 31.700 0.049 0.000 0.854 499 A N 2.550 125.394 122.820 0.039 0.000 1.908 499 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 499 A C 1.972 179.581 177.584 0.041 0.000 1.181 499 A CA 1.799 53.859 52.037 0.038 0.000 0.627 499 A CB -1.375 17.643 19.000 0.030 0.000 0.818 499 A HN 0.637 nan 8.150 nan 0.000 0.445 500 I N -0.481 120.109 120.570 0.033 0.000 2.493 500 I HA -0.139 4.030 4.170 -0.002 0.000 0.254 500 I C 2.062 178.210 176.117 0.051 0.000 1.160 500 I CA 1.080 62.396 61.300 0.027 0.000 1.445 500 I CB 0.029 38.030 38.000 0.001 0.000 1.086 500 I HN 0.102 nan 8.210 nan 0.000 0.433 501 V N -0.193 119.768 119.914 0.079 0.000 2.307 501 V HA -0.234 3.885 4.120 -0.002 0.000 0.245 501 V C 2.559 178.768 176.094 0.191 0.000 1.045 501 V CA 2.090 64.492 62.300 0.170 0.000 1.024 501 V CB -0.868 31.065 31.823 0.183 0.000 0.651 501 V HN 0.430 nan 8.190 nan 0.000 0.449 502 S N -0.442 115.321 115.700 0.105 0.000 2.368 502 S HA -0.208 4.260 4.470 -0.002 0.000 0.225 502 S C 1.930 176.578 174.600 0.080 0.000 1.030 502 S CA 1.594 59.838 58.200 0.074 0.000 0.999 502 S CB -0.247 62.983 63.200 0.051 0.000 0.844 502 S HN 0.702 nan 8.310 nan 0.000 0.459 503 E N 0.709 120.954 120.200 0.074 0.000 2.077 503 E HA -0.135 4.214 4.350 -0.002 0.000 0.193 503 E C 2.307 178.959 176.600 0.086 0.000 0.989 503 E CA 0.841 57.279 56.400 0.064 0.000 0.800 503 E CB -0.070 29.657 29.700 0.044 0.000 0.746 503 E HN 0.329 nan 8.360 nan 0.000 0.452 504 Q N 0.346 120.217 119.800 0.117 0.000 2.172 504 Q HA -0.092 4.247 4.340 -0.002 0.000 0.200 504 Q C 2.061 178.212 176.000 0.251 0.000 0.964 504 Q CA 0.835 56.725 55.803 0.145 0.000 0.855 504 Q CB -0.189 28.592 28.738 0.072 0.000 0.918 504 Q HN 0.214 nan 8.270 nan 0.000 0.444 505 R N 0.734 121.395 120.500 0.267 0.000 2.081 505 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 505 R C 2.072 178.403 176.300 0.051 0.000 1.131 505 R CA 1.425 57.581 56.100 0.094 0.000 0.960 505 R CB 0.123 30.385 30.300 -0.064 0.000 0.856 505 R HN 0.311 nan 8.270 nan 0.000 0.436 506 Q N -0.424 119.414 119.800 0.063 0.000 2.079 506 Q HA -0.171 4.168 4.340 -0.002 0.000 0.200 506 Q C 2.210 178.247 176.000 0.062 0.000 0.974 506 Q CA 1.816 57.650 55.803 0.053 0.000 0.840 506 Q CB 0.010 28.779 28.738 0.052 0.000 0.898 506 Q HN 0.069 nan 8.270 nan 0.000 0.430 507 K N 1.068 121.512 120.400 0.074 0.000 2.097 507 K HA -0.179 4.140 4.320 -0.002 0.000 0.205 507 K C 1.776 178.424 176.600 0.080 0.000 1.050 507 K CA 1.533 57.862 56.287 0.070 0.000 0.938 507 K CB -0.153 32.386 32.500 0.066 0.000 0.718 507 K HN 0.453 nan 8.250 nan 0.000 0.442 508 E N 0.145 120.404 120.200 0.099 0.000 2.058 508 E HA -0.181 4.167 4.350 -0.002 0.000 0.194 508 E C 2.106 178.757 176.600 0.085 0.000 0.997 508 E CA 1.878 58.338 56.400 0.100 0.000 0.801 508 E CB -0.232 29.534 29.700 0.109 0.000 0.746 508 E HN 0.488 nan 8.360 nan 0.000 0.450 509 L N 0.508 121.768 121.223 0.061 0.000 2.201 509 L HA -0.144 4.195 4.340 -0.002 0.000 0.212 509 L C 2.362 179.287 176.870 0.092 0.000 1.105 509 L CA 1.106 55.987 54.840 0.069 0.000 0.775 509 L CB -0.299 41.788 42.059 0.047 0.000 0.913 509 L HN 0.186 nan 8.230 nan 0.000 0.440 510 E N -0.366 119.883 120.200 0.081 0.000 2.072 510 E HA -0.258 4.091 4.350 -0.002 0.000 0.190 510 E C 2.100 178.751 176.600 0.084 0.000 0.982 510 E CA 0.872 57.320 56.400 0.079 0.000 0.803 510 E CB -0.002 29.736 29.700 0.063 0.000 0.755 510 E HN 0.299 nan 8.360 nan 0.000 0.453 511 Q N 1.080 120.932 119.800 0.086 0.000 2.123 511 Q HA -0.103 4.236 4.340 -0.002 0.000 0.199 511 Q C 1.964 178.037 176.000 0.122 0.000 0.966 511 Q CA 1.218 57.070 55.803 0.082 0.000 0.845 511 Q CB 0.085 28.868 28.738 0.076 0.000 0.907 511 Q HN -0.003 nan 8.270 nan 0.000 0.439 512 R N 0.518 121.126 120.500 0.180 0.000 2.103 512 R HA -0.129 4.210 4.340 -0.002 0.000 0.242 512 R C 2.010 178.484 176.300 0.291 0.000 1.142 512 R CA 1.723 58.016 56.100 0.322 0.000 0.960 512 R CB -0.334 30.143 30.300 0.294 0.000 0.858 512 R HN 0.370 nan 8.270 nan 0.000 0.439 513 K N 0.053 120.561 120.400 0.179 0.000 2.283 513 K HA -0.055 4.263 4.320 -0.002 0.000 0.202 513 K C 1.833 178.487 176.600 0.091 0.000 1.048 513 K CA 0.578 56.949 56.287 0.141 0.000 0.948 513 K CB 0.010 32.587 32.500 0.128 0.000 0.742 513 K HN -0.026 nan 8.250 nan 0.000 0.458 514 L N 0.369 121.630 121.223 0.064 0.000 2.162 514 L HA -0.044 4.295 4.340 -0.002 0.000 0.205 514 L C 2.082 178.924 176.870 -0.048 0.000 1.086 514 L CA 1.736 56.585 54.840 0.015 0.000 0.778 514 L CB -0.720 41.345 42.059 0.010 0.000 0.928 514 L HN 0.058 nan 8.230 nan 0.000 0.446 515 T N -1.861 112.647 114.554 -0.076 0.000 2.851 515 T HA -0.067 4.282 4.350 -0.002 0.000 0.262 515 T C 0.060 174.477 174.700 -0.470 0.000 1.043 515 T CA 0.834 62.752 62.100 -0.304 0.000 1.140 515 T CB -0.201 68.433 68.868 -0.389 0.000 0.872 515 T HN 0.021 nan 8.240 nan 0.000 0.446 516 Y N 2.262 122.519 120.300 -0.072 0.000 2.593 516 Y HA 0.443 4.992 4.550 -0.002 0.000 0.331 516 Y C 0.362 176.154 175.900 -0.181 0.000 0.986 516 Y CA -0.899 57.125 58.100 -0.126 0.000 1.262 516 Y CB 0.385 38.814 38.460 -0.052 0.000 1.098 516 Y HN 0.064 nan 8.280 nan 0.000 0.506 517 Q N 1.910 121.647 119.800 -0.105 0.000 2.306 517 Q HA 0.277 4.615 4.340 -0.002 0.000 0.265 517 Q C -1.091 174.791 176.000 -0.196 0.000 1.022 517 Q CA -1.084 54.653 55.803 -0.111 0.000 0.853 517 Q CB 2.115 30.831 28.738 -0.035 0.000 1.327 517 Q HN 0.604 nan 8.270 nan 0.000 0.449 518 W N 1.384 122.657 121.300 -0.044 0.000 2.158 518 W HA 0.151 4.810 4.660 -0.002 0.000 0.339 518 W C 0.397 176.727 176.519 -0.315 0.000 1.294 518 W CA 0.632 57.858 57.345 -0.198 0.000 1.231 518 W CB 0.572 29.941 29.460 -0.152 0.000 1.143 518 W HN 0.513 nan 8.180 nan 0.000 0.571 519 D N 0.220 120.456 120.400 -0.274 0.000 2.596 519 D HA 0.458 5.097 4.640 -0.002 0.000 0.262 519 D C -1.881 173.996 176.300 -0.704 0.000 1.210 519 D CA -1.006 52.789 54.000 -0.343 0.000 0.873 519 D CB 1.436 42.166 40.800 -0.117 0.000 1.408 519 D HN 0.230 nan 8.370 nan 0.000 0.441 520 Y N -0.144 120.204 120.300 0.080 0.000 2.479 520 Y HA 0.256 4.805 4.550 -0.002 0.000 0.338 520 Y C 0.931 176.844 175.900 0.021 0.000 1.055 520 Y CA -0.880 57.245 58.100 0.042 0.000 1.023 520 Y CB 2.038 40.506 38.460 0.015 0.000 1.287 520 Y HN 0.082 nan 8.280 nan 0.000 0.447 521 V N 1.089 121.087 119.914 0.141 0.000 2.453 521 V HA -0.085 4.034 4.120 -0.002 0.000 0.247 521 V C 0.636 176.778 176.094 0.080 0.000 1.048 521 V CA 1.908 64.257 62.300 0.082 0.000 1.049 521 V CB -0.085 31.766 31.823 0.047 0.000 0.672 521 V HN 0.839 nan 8.190 nan 0.000 0.457 522 S N -2.730 113.026 115.700 0.095 0.000 2.655 522 S HA 0.224 4.693 4.470 -0.002 0.000 0.266 522 S C -0.195 174.428 174.600 0.038 0.000 1.149 522 S CA -0.331 57.904 58.200 0.059 0.000 0.818 522 S CB 0.987 64.209 63.200 0.038 0.000 1.130 522 S HN 0.016 nan 8.310 nan 0.000 0.476 523 D N 0.709 121.110 120.400 0.002 0.000 2.309 523 D HA 0.076 4.715 4.640 -0.002 0.000 0.212 523 D C 0.057 176.382 176.300 0.041 0.000 0.968 523 D CA 1.082 55.053 54.000 -0.049 0.000 0.882 523 D CB -0.157 40.618 40.800 -0.042 0.000 0.918 523 D HN 0.530 nan 8.370 nan 0.000 0.503 524 D N -0.423 120.064 120.400 0.145 0.000 2.559 524 D HA 0.096 4.735 4.640 -0.002 0.000 0.234 524 D C 0.297 176.753 176.300 0.259 0.000 1.226 524 D CA -0.043 54.166 54.000 0.349 0.000 0.830 524 D CB 0.544 41.497 40.800 0.255 0.000 1.028 524 D HN 0.075 nan 8.370 nan 0.000 0.492 525 M N 1.141 120.761 119.600 0.034 0.000 2.591 525 M HA 0.373 4.852 4.480 -0.002 0.000 0.306 525 M C -2.585 173.427 176.300 -0.480 0.000 1.190 525 M CA -2.301 52.802 55.300 -0.330 0.000 0.889 525 M CB 2.295 34.795 32.600 -0.166 0.000 1.728 525 M HN -0.314 nan 8.290 nan 0.000 0.458 526 P HA 0.151 nan 4.420 nan 0.000 0.272 526 P C 0.040 177.329 177.300 -0.019 0.000 1.223 526 P CA -0.116 62.669 63.100 -0.523 0.000 0.784 526 P CB 0.370 31.638 31.700 -0.720 0.000 0.923 527 G N 2.582 111.509 108.800 0.212 0.000 2.398 527 G HA2 0.171 4.130 3.960 -0.002 0.000 0.246 527 G HA3 0.171 4.130 3.960 -0.002 0.000 0.246 527 G C 0.167 175.236 174.900 0.280 0.000 1.289 527 G CA -0.561 44.679 45.100 0.232 0.000 0.869 527 G HN 0.739 nan 8.290 nan 0.000 0.543 528 N N 1.327 120.069 118.700 0.071 0.000 2.531 528 N HA 0.346 5.085 4.740 -0.002 0.000 0.290 528 N C -0.505 174.976 175.510 -0.048 0.000 1.257 528 N CA -1.005 52.075 53.050 0.049 0.000 0.863 528 N CB 2.103 40.611 38.487 0.034 0.000 1.320 528 N HN 0.409 nan 8.380 nan 0.000 0.538 529 I N 0.151 120.682 120.570 -0.066 0.000 2.648 529 I HA -0.015 4.154 4.170 -0.002 0.000 0.284 529 I C 0.674 176.729 176.117 -0.103 0.000 1.153 529 I CA -0.229 61.004 61.300 -0.113 0.000 1.426 529 I CB 0.450 38.409 38.000 -0.069 0.000 1.381 529 I HN 0.527 nan 8.210 nan 0.000 0.571 530 K N 6.925 127.255 120.400 -0.116 0.000 2.378 530 K HA 0.529 4.847 4.320 -0.002 0.000 0.288 530 K C -1.121 175.413 176.600 -0.110 0.000 1.057 530 K CA -0.081 56.148 56.287 -0.096 0.000 0.971 530 K CB 0.355 32.807 32.500 -0.079 0.000 0.975 530 K HN 0.720 nan 8.250 nan 0.000 0.475 531 A N 3.212 125.974 122.820 -0.098 0.000 2.528 531 A HA 0.402 4.721 4.320 -0.002 0.000 0.306 531 A C 0.063 177.591 177.584 -0.093 0.000 1.042 531 A CA -0.367 51.602 52.037 -0.114 0.000 0.950 531 A CB 0.813 19.727 19.000 -0.142 0.000 1.374 531 A HN 0.718 nan 8.150 nan 0.000 0.387 532 K N 0.652 121.001 120.400 -0.085 0.000 2.057 532 K HA 0.314 4.633 4.320 -0.002 0.000 0.206 532 K C 1.145 177.700 176.600 -0.076 0.000 1.050 532 K CA 2.591 58.836 56.287 -0.070 0.000 0.935 532 K CB -0.532 31.933 32.500 -0.059 0.000 0.715 532 K HN 2.120 nan 8.250 nan 0.000 0.439 533 T N -5.355 109.150 114.554 -0.081 0.000 2.804 533 T HA 0.290 4.639 4.350 -0.002 0.000 0.290 533 T C 0.742 175.397 174.700 -0.074 0.000 1.099 533 T CA 0.002 62.060 62.100 -0.070 0.000 1.011 533 T CB 1.117 69.958 68.868 -0.046 0.000 1.291 533 T HN 0.282 nan 8.240 nan 0.000 0.523 534 H N 0.280 119.253 119.070 -0.160 0.000 2.387 534 H HA -0.086 4.469 4.556 -0.002 0.000 0.299 534 H C 0.691 175.927 175.328 -0.155 0.000 1.090 534 H CA 2.125 58.059 56.048 -0.190 0.000 1.332 534 H CB -0.146 29.483 29.762 -0.221 0.000 1.386 534 H HN 0.596 nan 8.280 nan 0.000 0.516 535 D N 0.442 120.814 120.400 -0.046 0.000 2.348 535 D HA -0.074 4.565 4.640 -0.002 0.000 0.216 535 D C 1.221 177.420 176.300 -0.168 0.000 0.970 535 D CA 0.443 54.380 54.000 -0.105 0.000 0.889 535 D CB -0.223 40.560 40.800 -0.028 0.000 0.912 535 D HN 0.464 nan 8.370 nan 0.000 0.524 536 D N -0.011 120.288 120.400 -0.168 0.000 2.355 536 D HA 0.020 4.659 4.640 -0.002 0.000 0.218 536 D C 0.826 176.987 176.300 -0.232 0.000 1.004 536 D CA 0.084 53.978 54.000 -0.175 0.000 0.880 536 D CB 0.611 41.326 40.800 -0.142 0.000 0.911 536 D HN 0.242 nan 8.370 nan 0.000 0.528 537 L N 1.646 122.691 121.223 -0.297 0.000 2.417 537 L HA 0.203 4.542 4.340 -0.002 0.000 0.268 537 L C -1.985 174.688 176.870 -0.328 0.000 1.158 537 L CA -1.774 52.870 54.840 -0.326 0.000 0.819 537 L CB 0.062 41.893 42.059 -0.379 0.000 1.112 537 L HN -0.287 nan 8.230 nan 0.000 0.458 538 P HA -0.033 nan 4.420 nan 0.000 0.264 538 P C 0.150 177.301 177.300 -0.247 0.000 1.179 538 P CA 0.087 62.995 63.100 -0.320 0.000 0.763 538 P CB 0.460 31.905 31.700 -0.425 0.000 0.806 539 R N 2.302 122.663 120.500 -0.231 0.000 2.159 539 R HA -0.165 4.174 4.340 -0.002 0.000 0.237 539 R C 1.147 177.409 176.300 -0.063 0.000 1.131 539 R CA 1.483 57.407 56.100 -0.295 0.000 0.982 539 R CB -0.302 29.652 30.300 -0.577 0.000 0.868 539 R HN 0.450 nan 8.270 nan 0.000 0.453 540 D N -0.477 119.979 120.400 0.093 0.000 2.263 540 D HA -0.111 4.528 4.640 -0.002 0.000 0.208 540 D C 1.361 177.809 176.300 0.246 0.000 0.971 540 D CA 1.355 55.536 54.000 0.302 0.000 0.867 540 D CB 0.369 41.240 40.800 0.117 0.000 0.929 540 D HN 0.306 nan 8.370 nan 0.000 0.492 541 V N -2.632 117.316 119.914 0.056 0.000 3.380 541 V HA 0.252 4.371 4.120 -0.002 0.000 0.307 541 V C 0.541 176.683 176.094 0.080 0.000 1.434 541 V CA -0.476 61.894 62.300 0.116 0.000 1.075 541 V CB -0.028 31.742 31.823 -0.087 0.000 0.954 541 V HN -0.152 nan 8.190 nan 0.000 0.444 542 Q N 0.526 120.358 119.800 0.053 0.000 2.368 542 Q HA 0.384 4.723 4.340 -0.002 0.000 0.237 542 Q C -0.543 175.710 176.000 0.422 0.000 0.987 542 Q CA -0.803 54.972 55.803 -0.047 0.000 0.896 542 Q CB 0.882 29.499 28.738 -0.201 0.000 1.241 542 Q HN 0.451 nan 8.270 nan 0.000 0.485 543 F N 1.531 121.765 119.950 0.472 0.000 2.629 543 F HA -0.081 4.445 4.527 -0.002 0.000 0.377 543 F C 1.237 177.244 175.800 0.346 0.000 1.101 543 F CA -0.143 58.069 58.000 0.354 0.000 1.301 543 F CB -0.231 38.875 39.000 0.177 0.000 1.062 543 F HN 0.482 nan 8.300 nan 0.000 0.583 544 T N -0.022 114.857 114.554 0.542 0.000 2.856 544 T HA -0.060 4.289 4.350 -0.002 0.000 0.329 544 T C 0.997 175.860 174.700 0.273 0.000 1.094 544 T CA -0.246 62.059 62.100 0.341 0.000 1.112 544 T CB 0.426 69.421 68.868 0.212 0.000 1.009 544 T HN 0.522 nan 8.240 nan 0.000 0.550 545 D N 1.042 121.592 120.400 0.250 0.000 2.149 545 D HA -0.065 4.574 4.640 -0.002 0.000 0.198 545 D C 2.039 178.429 176.300 0.150 0.000 0.990 545 D CA 1.502 55.632 54.000 0.217 0.000 0.839 545 D CB -0.057 40.912 40.800 0.281 0.000 0.948 545 D HN 0.780 nan 8.370 nan 0.000 0.460 546 E N 0.413 120.683 120.200 0.116 0.000 2.077 546 E HA -0.128 4.221 4.350 -0.002 0.000 0.193 546 E C 1.845 178.456 176.600 0.017 0.000 0.989 546 E CA 0.912 57.350 56.400 0.065 0.000 0.800 546 E CB 0.015 29.744 29.700 0.048 0.000 0.746 546 E HN 0.205 nan 8.360 nan 0.000 0.452 547 K N 0.143 120.516 120.400 -0.044 0.000 2.148 547 K HA 0.008 4.327 4.320 -0.002 0.000 0.204 547 K C 2.280 178.734 176.600 -0.244 0.000 1.050 547 K CA 1.084 57.189 56.287 -0.303 0.000 0.942 547 K CB -0.016 32.038 32.500 -0.744 0.000 0.724 547 K HN -0.039 nan 8.250 nan 0.000 0.446 548 S N 0.786 116.511 115.700 0.041 0.000 2.383 548 S HA -0.137 4.332 4.470 -0.002 0.000 0.227 548 S C 1.896 176.606 174.600 0.183 0.000 1.026 548 S CA 1.075 59.413 58.200 0.229 0.000 0.981 548 S CB -0.094 63.234 63.200 0.214 0.000 0.818 548 S HN 0.325 nan 8.310 nan 0.000 0.472 549 R N 0.890 121.460 120.500 0.117 0.000 2.073 549 R HA -0.007 4.332 4.340 -0.002 0.000 0.229 549 R C 2.490 178.840 176.300 0.084 0.000 1.120 549 R CA 1.541 57.700 56.100 0.098 0.000 0.967 549 R CB -0.615 29.734 30.300 0.082 0.000 0.862 549 R HN 0.325 nan 8.270 nan 0.000 0.436 550 S N -0.212 115.527 115.700 0.065 0.000 2.365 550 S HA -0.250 4.219 4.470 -0.002 0.000 0.225 550 S C 1.798 176.451 174.600 0.089 0.000 1.039 550 S CA 1.595 59.831 58.200 0.059 0.000 1.033 550 S CB -0.539 62.677 63.200 0.027 0.000 0.887 550 S HN 0.585 nan 8.310 nan 0.000 0.447 551 Y N 1.799 122.098 120.300 -0.002 0.000 2.114 551 Y HA -0.092 4.457 4.550 -0.002 0.000 0.284 551 Y C 2.605 178.550 175.900 0.076 0.000 1.143 551 Y CA 2.152 60.288 58.100 0.060 0.000 1.135 551 Y CB -0.674 37.886 38.460 0.166 0.000 0.980 551 Y HN 0.257 nan 8.280 nan 0.000 0.499 552 Q N 0.388 120.197 119.800 0.016 0.000 2.084 552 Q HA -0.173 4.166 4.340 -0.002 0.000 0.202 552 Q C 2.050 178.000 176.000 -0.083 0.000 0.978 552 Q CA 1.585 57.329 55.803 -0.099 0.000 0.844 552 Q CB -0.331 28.434 28.738 0.045 0.000 0.898 552 Q HN 0.596 nan 8.270 nan 0.000 0.426 553 E N 0.570 120.765 120.200 -0.009 0.000 2.110 553 E HA -0.125 4.224 4.350 -0.002 0.000 0.193 553 E C 2.037 178.666 176.600 0.048 0.000 0.988 553 E CA 1.404 57.818 56.400 0.023 0.000 0.804 553 E CB -0.205 29.527 29.700 0.053 0.000 0.745 553 E HN 0.409 nan 8.360 nan 0.000 0.458 554 S N 0.683 116.398 115.700 0.025 0.000 2.402 554 S HA -0.067 4.402 4.470 -0.002 0.000 0.229 554 S C 1.875 176.547 174.600 0.121 0.000 1.021 554 S CA 0.439 58.721 58.200 0.137 0.000 0.974 554 S CB 0.002 63.172 63.200 -0.050 0.000 0.800 554 S HN 0.043 nan 8.310 nan 0.000 0.484 555 R N 1.717 122.153 120.500 -0.106 0.000 2.092 555 R HA 0.173 4.512 4.340 -0.002 0.000 0.231 555 R C 2.267 178.557 176.300 -0.017 0.000 1.119 555 R CA 1.241 57.276 56.100 -0.108 0.000 0.970 555 R CB -0.624 29.521 30.300 -0.259 0.000 0.864 555 R HN 0.559 nan 8.270 nan 0.000 0.440 556 K N 0.353 120.740 120.400 -0.021 0.000 2.025 556 K HA 0.025 4.344 4.320 -0.002 0.000 0.207 556 K C 2.150 178.739 176.600 -0.018 0.000 1.049 556 K CA 1.252 57.529 56.287 -0.015 0.000 0.933 556 K CB -0.173 32.319 32.500 -0.014 0.000 0.714 556 K HN 0.088 nan 8.250 nan 0.000 0.438 557 A N 1.693 124.519 122.820 0.011 0.000 1.940 557 A HA -0.176 4.143 4.320 -0.002 0.000 0.219 557 A C 2.379 179.858 177.584 -0.175 0.000 1.176 557 A CA 1.996 53.993 52.037 -0.067 0.000 0.631 557 A CB -0.745 18.269 19.000 0.024 0.000 0.814 557 A HN 0.353 nan 8.150 nan 0.000 0.446 558 A N -0.435 122.410 122.820 0.040 0.000 1.902 558 A HA -0.041 4.278 4.320 -0.002 0.000 0.217 558 A C 2.179 179.788 177.584 0.043 0.000 1.181 558 A CA 1.521 53.660 52.037 0.169 0.000 0.623 558 A CB -0.560 18.680 19.000 0.401 0.000 0.818 558 A HN 0.477 nan 8.150 nan 0.000 0.443 559 L N -0.714 120.514 121.223 0.008 0.000 2.056 559 L HA -0.139 4.200 4.340 -0.002 0.000 0.207 559 L C 2.531 179.357 176.870 -0.074 0.000 1.078 559 L CA 0.917 55.750 54.840 -0.012 0.000 0.749 559 L CB -0.413 41.637 42.059 -0.014 0.000 0.901 559 L HN 0.253 nan 8.230 nan 0.000 0.433 560 V N 0.006 119.844 119.914 -0.127 0.000 2.307 560 V HA -0.247 3.872 4.120 -0.002 0.000 0.245 560 V C 2.193 178.133 176.094 -0.257 0.000 1.045 560 V CA 1.768 63.970 62.300 -0.163 0.000 1.024 560 V CB -0.659 31.067 31.823 -0.160 0.000 0.651 560 V HN 0.482 nan 8.190 nan 0.000 0.449 561 N N 0.335 118.754 118.700 -0.467 0.000 2.149 561 N HA -0.129 4.609 4.740 -0.002 0.000 0.188 561 N C 1.782 177.064 175.510 -0.380 0.000 1.019 561 N CA 1.362 53.970 53.050 -0.736 0.000 0.857 561 N CB -0.491 36.877 38.487 -1.865 0.000 0.997 561 N HN 0.389 nan 8.380 nan 0.000 0.426 562 L N 0.208 121.344 121.223 -0.145 0.000 2.046 562 L HA -0.073 4.266 4.340 -0.002 0.000 0.208 562 L C 2.454 179.318 176.870 -0.011 0.000 1.077 562 L CA 1.432 56.312 54.840 0.067 0.000 0.747 562 L CB -0.791 41.341 42.059 0.121 0.000 0.896 562 L HN 0.217 nan 8.230 nan 0.000 0.432 563 G N -0.049 108.718 108.800 -0.055 0.000 2.402 563 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.216 563 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.216 563 G C 1.590 176.459 174.900 -0.051 0.000 1.162 563 G CA 0.547 45.616 45.100 -0.052 0.000 0.777 563 G HN 0.258 nan 8.290 nan 0.000 0.539 564 I N 1.235 121.758 120.570 -0.077 0.000 2.202 564 I HA -0.072 4.097 4.170 -0.002 0.000 0.242 564 I C 3.084 179.201 176.117 0.000 0.000 1.091 564 I CA 1.052 62.320 61.300 -0.054 0.000 1.368 564 I CB -0.452 37.484 38.000 -0.108 0.000 1.058 564 I HN 0.243 nan 8.210 nan 0.000 0.410 565 G N -0.394 108.397 108.800 -0.015 0.000 2.422 565 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.218 565 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.218 565 G C 1.765 176.708 174.900 0.072 0.000 1.146 565 G CA 1.053 46.193 45.100 0.068 0.000 0.769 565 G HN 0.384 nan 8.290 nan 0.000 0.547 566 S N 0.044 115.749 115.700 0.008 0.000 2.353 566 S HA -0.061 4.408 4.470 -0.002 0.000 0.222 566 S C 2.454 176.998 174.600 -0.094 0.000 1.035 566 S CA 1.293 59.458 58.200 -0.057 0.000 1.025 566 S CB -0.332 62.825 63.200 -0.071 0.000 0.902 566 S HN 0.330 nan 8.310 nan 0.000 0.440 567 L N -0.266 120.924 121.223 -0.055 0.000 2.012 567 L HA -0.076 4.263 4.340 -0.002 0.000 0.210 567 L C 2.343 179.185 176.870 -0.047 0.000 1.073 567 L CA 1.809 56.608 54.840 -0.069 0.000 0.748 567 L CB -0.580 41.471 42.059 -0.013 0.000 0.891 567 L HN 0.380 nan 8.230 nan 0.000 0.431 568 F N 0.860 120.766 119.950 -0.073 0.000 2.134 568 F HA -0.233 4.293 4.527 -0.002 0.000 0.299 568 F C 2.538 178.314 175.800 -0.039 0.000 1.097 568 F CA 1.868 59.845 58.000 -0.038 0.000 1.264 568 F CB -0.102 38.888 39.000 -0.017 0.000 1.001 568 F HN 0.117 nan 8.300 nan 0.000 0.479 569 T N -2.412 112.175 114.554 0.057 0.000 3.105 569 T HA 0.040 4.389 4.350 -0.002 0.000 0.253 569 T C 1.757 176.332 174.700 -0.208 0.000 1.047 569 T CA 0.281 62.384 62.100 0.006 0.000 0.944 569 T CB -0.447 68.500 68.868 0.131 0.000 1.016 569 T HN 0.411 nan 8.240 nan 0.000 0.544 570 M N 0.770 120.148 119.600 -0.371 0.000 2.089 570 M HA -0.049 4.430 4.480 -0.002 0.000 0.257 570 M C 0.387 176.205 176.300 -0.802 0.000 1.071 570 M CA 2.017 56.888 55.300 -0.714 0.000 1.096 570 M CB -0.271 31.657 32.600 -1.121 0.000 1.330 570 M HN 0.415 nan 8.290 nan 0.000 0.403 571 F N -0.499 119.388 119.950 -0.104 0.000 2.684 571 F HA 0.275 4.801 4.527 -0.001 0.000 0.298 571 F C 0.345 176.102 175.800 -0.071 0.000 1.120 571 F CA -0.822 57.123 58.000 -0.090 0.000 1.332 571 F CB 0.016 38.967 39.000 -0.082 0.000 0.986 571 F HN 0.107 nan 8.300 nan 0.000 0.524 572 E N 1.858 122.062 120.200 0.006 0.000 2.313 572 E HA 0.349 4.698 4.350 -0.002 0.000 0.276 572 E C 0.027 176.655 176.600 0.047 0.000 1.031 572 E CA 0.093 56.544 56.400 0.085 0.000 0.857 572 E CB 0.705 30.538 29.700 0.221 0.000 1.040 572 E HN 0.341 nan 8.360 nan 0.000 0.408 573 N N 4.650 123.429 118.700 0.132 0.000 2.426 573 N HA 0.198 4.937 4.740 -0.002 0.000 0.257 573 N C -1.332 174.360 175.510 0.304 0.000 1.002 573 N CA -0.640 52.475 53.050 0.109 0.000 0.942 573 N CB 0.365 38.897 38.487 0.075 0.000 1.112 573 N HN 0.361 nan 8.380 nan 0.000 0.499 574 W N 1.356 122.597 121.300 -0.098 0.000 2.311 574 W HA 0.328 4.986 4.660 -0.002 0.000 0.310 574 W C 0.051 176.518 176.519 -0.086 0.000 1.274 574 W CA -0.265 57.008 57.345 -0.121 0.000 1.215 574 W CB 0.938 30.263 29.460 -0.225 0.000 1.227 574 W HN 0.841 nan 8.180 nan 0.000 0.523 575 D N -0.105 120.354 120.400 0.098 0.000 2.556 575 D HA 0.131 4.770 4.640 -0.002 0.000 0.237 575 D C -0.168 176.104 176.300 -0.047 0.000 1.296 575 D CA -0.195 53.819 54.000 0.023 0.000 0.807 575 D CB -0.109 40.703 40.800 0.020 0.000 1.084 575 D HN 0.025 nan 8.370 nan 0.000 0.510 576 S N -1.595 114.061 115.700 -0.074 0.000 2.579 576 S HA 0.361 4.830 4.470 -0.002 0.000 0.272 576 S C 0.231 174.812 174.600 -0.030 0.000 1.141 576 S CA -0.870 57.270 58.200 -0.100 0.000 0.843 576 S CB 0.502 63.684 63.200 -0.030 0.000 1.122 576 S HN -0.017 nan 8.310 nan 0.000 0.468 577 Y N 0.644 121.060 120.300 0.192 0.000 2.207 577 Y HA -0.135 4.414 4.550 -0.002 0.000 0.287 577 Y C 1.849 177.872 175.900 0.204 0.000 1.156 577 Y CA 1.221 59.450 58.100 0.215 0.000 1.182 577 Y CB -0.191 38.493 38.460 0.373 0.000 0.979 577 Y HN 0.609 nan 8.280 nan 0.000 0.521 578 D N -0.045 120.565 120.400 0.350 0.000 2.310 578 D HA -0.132 4.507 4.640 -0.002 0.000 0.212 578 D C 1.334 177.674 176.300 0.067 0.000 0.965 578 D CA 0.874 55.075 54.000 0.335 0.000 0.879 578 D CB -0.343 40.657 40.800 0.332 0.000 0.921 578 D HN 0.407 nan 8.370 nan 0.000 0.510 579 D N -0.092 120.139 120.400 -0.282 0.000 2.221 579 D HA -0.181 4.458 4.640 -0.002 0.000 0.204 579 D C 1.629 177.222 176.300 -1.179 0.000 0.982 579 D CA 0.728 54.184 54.000 -0.906 0.000 0.857 579 D CB -0.378 39.424 40.800 -1.663 0.000 0.934 579 D HN 0.419 nan 8.370 nan 0.000 0.475 580 Y N 0.395 120.238 120.300 -0.762 0.000 2.497 580 Y HA -0.116 4.433 4.550 -0.001 0.000 0.292 580 Y C 2.377 178.169 175.900 -0.180 0.000 1.137 580 Y CA 0.727 58.541 58.100 -0.477 0.000 1.285 580 Y CB -0.194 37.949 38.460 -0.529 0.000 0.991 580 Y HN 0.213 nan 8.280 nan 0.000 0.556 581 H N -0.494 118.659 119.070 0.138 0.000 2.456 581 H HA -0.171 4.384 4.556 -0.002 0.000 0.296 581 H C 2.368 177.356 175.328 -0.567 0.000 1.079 581 H CA 1.541 57.469 56.048 -0.200 0.000 1.322 581 H CB -0.282 29.386 29.762 -0.157 0.000 1.388 581 H HN 0.436 nan 8.280 nan 0.000 0.538 582 I N 0.890 121.355 120.570 -0.176 0.000 2.454 582 I HA -0.231 3.938 4.170 -0.002 0.000 0.254 582 I C 1.763 177.824 176.117 -0.093 0.000 1.156 582 I CA 0.749 61.972 61.300 -0.129 0.000 1.433 582 I CB -0.006 38.000 38.000 0.011 0.000 1.082 582 I HN 0.129 nan 8.210 nan 0.000 0.432 583 L N 0.012 121.218 121.223 -0.029 0.000 2.376 583 L HA -0.158 4.181 4.340 -0.002 0.000 0.219 583 L C 1.954 178.948 176.870 0.207 0.000 1.133 583 L CA 0.721 55.648 54.840 0.146 0.000 0.816 583 L CB -0.576 41.611 42.059 0.212 0.000 0.933 583 L HN 0.450 nan 8.230 nan 0.000 0.449 584 Y N -2.687 117.753 120.300 0.234 0.000 2.458 584 Y HA 0.244 4.793 4.550 -0.002 0.000 0.256 584 Y C 2.288 178.375 175.900 0.312 0.000 1.159 584 Y CA -0.604 57.631 58.100 0.226 0.000 1.261 584 Y CB -0.657 37.890 38.460 0.145 0.000 1.119 584 Y HN -0.120 nan 8.280 nan 0.000 0.524 585 R N 1.782 122.391 120.500 0.182 0.000 2.090 585 R HA -0.091 4.248 4.340 -0.002 0.000 0.228 585 R C 1.030 177.403 176.300 0.121 0.000 1.110 585 R CA 1.369 57.548 56.100 0.131 0.000 0.973 585 R CB -0.100 30.159 30.300 -0.068 0.000 0.869 585 R HN 0.528 nan 8.270 nan 0.000 0.440 586 N N -0.790 117.963 118.700 0.088 0.000 2.322 586 N HA -0.051 4.688 4.740 -0.002 0.000 0.216 586 N C -1.141 174.229 175.510 -0.233 0.000 1.144 586 N CA 0.011 53.001 53.050 -0.100 0.000 0.830 586 N CB 0.009 38.357 38.487 -0.231 0.000 1.034 586 N HN 0.054 nan 8.380 nan 0.000 0.484 587 W N 0.291 121.578 121.300 -0.021 0.000 2.689 587 W HA 0.561 5.220 4.660 -0.002 0.000 0.340 587 W C 0.167 176.680 176.519 -0.010 0.000 1.060 587 W CA -0.794 56.501 57.345 -0.084 0.000 1.218 587 W CB 1.219 30.647 29.460 -0.053 0.000 1.410 587 W HN -0.199 nan 8.180 nan 0.000 0.528 588 I N 4.479 125.156 120.570 0.179 0.000 2.281 588 I HA 0.067 4.236 4.170 -0.002 0.000 0.293 588 I C 0.477 176.800 176.117 0.342 0.000 1.085 588 I CA 0.012 61.443 61.300 0.218 0.000 1.257 588 I CB 0.381 38.488 38.000 0.179 0.000 1.430 588 I HN 0.474 nan 8.210 nan 0.000 0.489 589 L N 5.490 126.880 121.223 0.279 0.000 2.616 589 L HA 0.261 4.600 4.340 -0.002 0.000 0.229 589 L C 1.303 178.291 176.870 0.197 0.000 1.110 589 L CA 0.009 55.009 54.840 0.266 0.000 0.884 589 L CB 0.163 42.349 42.059 0.210 0.000 1.115 589 L HN 0.584 nan 8.230 nan 0.000 0.481 590 G N 0.419 109.319 108.800 0.166 0.000 2.393 590 G HA2 0.523 4.482 3.960 -0.002 0.000 0.311 590 G HA3 0.523 4.482 3.960 -0.002 0.000 0.311 590 G C -0.008 174.947 174.900 0.092 0.000 1.067 590 G CA 0.226 45.406 45.100 0.134 0.000 1.000 590 G HN 0.193 nan 8.290 nan 0.000 0.422 591 G N 1.210 110.055 108.800 0.075 0.000 2.397 591 G HA2 0.308 4.267 3.960 -0.002 0.000 0.453 591 G HA3 0.308 4.267 3.960 -0.002 0.000 0.453 591 G C -0.244 174.651 174.900 -0.008 0.000 1.579 591 G CA -0.814 44.306 45.100 0.033 0.000 0.906 591 G HN 0.686 nan 8.290 nan 0.000 0.675 592 T N 3.708 118.235 114.554 -0.045 0.000 2.923 592 T HA 0.310 4.659 4.350 -0.002 0.000 0.304 592 T C -1.879 172.688 174.700 -0.221 0.000 1.044 592 T CA 0.418 62.402 62.100 -0.193 0.000 1.141 592 T CB 0.536 69.341 68.868 -0.106 0.000 1.023 592 T HN 0.408 nan 8.240 nan 0.000 0.533 593 P HA 0.013 nan 4.420 nan 0.000 0.261 593 P C 0.811 178.040 177.300 -0.118 0.000 1.183 593 P CA 0.065 63.051 63.100 -0.190 0.000 0.761 593 P CB 0.175 31.737 31.700 -0.230 0.000 0.785 594 N N 2.959 121.629 118.700 -0.051 0.000 2.521 594 N HA -0.054 4.685 4.740 -0.002 0.000 0.188 594 N C 0.683 176.128 175.510 -0.109 0.000 1.146 594 N CA 0.183 53.187 53.050 -0.077 0.000 0.893 594 N CB -0.149 38.311 38.487 -0.045 0.000 0.975 594 N HN 0.276 nan 8.380 nan 0.000 0.451 595 M N 0.139 119.716 119.600 -0.038 0.000 2.428 595 M HA 0.238 4.717 4.480 -0.002 0.000 0.239 595 M C 1.896 178.262 176.300 0.109 0.000 1.121 595 M CA -0.080 55.228 55.300 0.014 0.000 1.019 595 M CB -0.116 32.542 32.600 0.097 0.000 1.485 595 M HN 0.289 nan 8.290 nan 0.000 0.484 596 A N 1.594 124.423 122.820 0.015 0.000 1.940 596 A HA -0.177 4.142 4.320 -0.002 0.000 0.219 596 A C 1.615 179.246 177.584 0.080 0.000 1.176 596 A CA 2.138 54.143 52.037 -0.053 0.000 0.631 596 A CB -0.583 18.381 19.000 -0.060 0.000 0.814 596 A HN 0.570 nan 8.150 nan 0.000 0.446 597 D N -0.871 119.552 120.400 0.038 0.000 2.340 597 D HA -0.059 4.580 4.640 -0.002 0.000 0.220 597 D C 1.224 177.586 176.300 0.103 0.000 1.039 597 D CA 0.738 54.771 54.000 0.054 0.000 0.866 597 D CB -0.263 40.506 40.800 -0.052 0.000 0.913 597 D HN 0.717 nan 8.370 nan 0.000 0.523 598 R N -0.291 120.251 120.500 0.069 0.000 2.519 598 R HA 0.132 4.471 4.340 -0.002 0.000 0.375 598 R C 1.411 177.664 176.300 -0.078 0.000 0.926 598 R CA -0.553 55.470 56.100 -0.129 0.000 1.166 598 R CB -1.201 28.794 30.300 -0.507 0.000 1.626 598 R HN 0.128 nan 8.270 nan 0.000 0.529 599 W N 2.670 124.058 121.300 0.147 0.000 2.364 599 W HA -0.166 4.493 4.660 -0.002 0.000 0.281 599 W C 0.733 177.369 176.519 0.195 0.000 1.219 599 W CA 1.516 58.991 57.345 0.215 0.000 1.220 599 W CB -0.876 28.780 29.460 0.327 0.000 1.127 599 W HN 0.279 nan 8.180 nan 0.000 0.556 600 H N -0.080 118.303 119.070 -1.145 0.000 2.553 600 H HA 0.314 4.869 4.556 -0.002 0.000 0.265 600 H C -0.432 174.607 175.328 -0.481 0.000 0.964 600 H CA 0.144 55.408 56.048 -1.306 0.000 1.156 600 H CB -0.615 28.174 29.762 -1.622 0.000 1.411 600 H HN 0.171 nan 8.280 nan 0.000 0.558 601 E N 1.528 121.327 120.200 -0.667 0.000 2.283 601 E HA 0.024 4.373 4.350 -0.002 0.000 0.278 601 E C 0.089 176.666 176.600 -0.038 0.000 1.027 601 E CA -0.512 55.697 56.400 -0.319 0.000 0.843 601 E CB 1.284 30.869 29.700 -0.192 0.000 1.062 601 E HN 0.113 nan 8.360 nan 0.000 0.401 602 D N 1.908 122.315 120.400 0.013 0.000 2.144 602 D HA -0.179 4.460 4.640 -0.002 0.000 0.199 602 D C 1.737 178.135 176.300 0.164 0.000 0.984 602 D CA 0.950 55.043 54.000 0.155 0.000 0.834 602 D CB 0.086 40.989 40.800 0.171 0.000 0.955 602 D HN 0.330 nan 8.370 nan 0.000 0.465 603 R N -0.242 120.237 120.500 -0.035 0.000 2.105 603 R HA -0.159 4.180 4.340 -0.002 0.000 0.239 603 R C 1.912 178.007 176.300 -0.342 0.000 1.135 603 R CA 1.193 57.132 56.100 -0.269 0.000 0.967 603 R CB -0.533 29.398 30.300 -0.615 0.000 0.861 603 R HN 0.324 nan 8.270 nan 0.000 0.442 604 W N -0.879 120.449 121.300 0.046 0.000 2.640 604 W HA 0.012 4.671 4.660 -0.002 0.000 0.268 604 W C 1.921 178.563 176.519 0.204 0.000 1.263 604 W CA -0.323 57.053 57.345 0.051 0.000 1.344 604 W CB -0.417 29.000 29.460 -0.070 0.000 1.093 604 W HN 0.019 nan 8.180 nan 0.000 0.603 605 F N 1.137 121.239 119.950 0.252 0.000 2.102 605 F HA -0.084 4.442 4.527 -0.002 0.000 0.298 605 F C 2.229 178.281 175.800 0.420 0.000 1.105 605 F CA 2.307 60.472 58.000 0.275 0.000 1.239 605 F CB -0.797 38.327 39.000 0.207 0.000 0.991 605 F HN -0.142 nan 8.300 nan 0.000 0.474 606 G N -1.439 107.678 108.800 0.528 0.000 2.408 606 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.217 606 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.217 606 G C 1.572 176.614 174.900 0.237 0.000 1.150 606 G CA 0.799 46.179 45.100 0.466 0.000 0.776 606 G HN 0.522 nan 8.290 nan 0.000 0.542 607 Y N 1.282 121.603 120.300 0.035 0.000 2.193 607 Y HA -0.192 4.356 4.550 -0.002 0.000 0.285 607 Y C 2.872 178.780 175.900 0.014 0.000 1.166 607 Y CA 2.195 60.284 58.100 -0.018 0.000 1.181 607 Y CB -0.036 38.455 38.460 0.052 0.000 0.976 607 Y HN 0.295 nan 8.280 nan 0.000 0.520 608 Q N -1.206 118.689 119.800 0.160 0.000 2.369 608 Q HA -0.121 4.218 4.340 -0.002 0.000 0.206 608 Q C 1.542 177.330 176.000 -0.352 0.000 0.963 608 Q CA 0.867 56.631 55.803 -0.066 0.000 0.894 608 Q CB -0.220 28.441 28.738 -0.129 0.000 0.965 608 Q HN 0.523 nan 8.270 nan 0.000 0.475 609 F N -0.319 119.449 119.950 -0.305 0.000 2.604 609 F HA -0.066 4.460 4.527 -0.002 0.000 0.298 609 F C 1.556 177.077 175.800 -0.466 0.000 1.131 609 F CA 0.786 58.541 58.000 -0.407 0.000 1.457 609 F CB 0.205 38.801 39.000 -0.674 0.000 1.095 609 F HN 0.036 nan 8.300 nan 0.000 0.574 610 L N -1.298 119.697 121.223 -0.380 0.000 2.362 610 L HA 0.114 4.452 4.340 -0.002 0.000 0.204 610 L C 1.145 177.930 176.870 -0.142 0.000 1.060 610 L CA 0.537 55.066 54.840 -0.518 0.000 0.827 610 L CB -0.119 41.501 42.059 -0.732 0.000 1.027 610 L HN -0.061 nan 8.230 nan 0.000 0.474 611 N N -0.189 118.372 118.700 -0.232 0.000 2.194 611 N HA 0.179 4.918 4.740 -0.002 0.000 0.231 611 N C 0.449 176.142 175.510 0.306 0.000 1.247 611 N CA 0.249 53.283 53.050 -0.027 0.000 0.884 611 N CB 1.565 39.843 38.487 -0.349 0.000 1.146 611 N HN 0.185 nan 8.380 nan 0.000 0.516 612 G N 0.035 108.905 108.800 0.116 0.000 2.641 612 G HA2 0.501 4.460 3.960 -0.002 0.000 0.239 612 G HA3 0.501 4.460 3.960 -0.002 0.000 0.239 612 G C 0.828 175.681 174.900 -0.078 0.000 1.402 612 G CA 0.215 45.401 45.100 0.143 0.000 1.046 612 G HN 0.071 nan 8.290 nan 0.000 0.565 613 A N -1.159 121.411 122.820 -0.417 0.000 2.119 613 A HA 0.099 4.418 4.320 -0.002 0.000 0.217 613 A C 1.406 178.645 177.584 -0.576 0.000 1.153 613 A CA 0.944 52.521 52.037 -0.767 0.000 0.692 613 A CB -0.257 17.815 19.000 -1.546 0.000 0.799 613 A HN 0.532 nan 8.150 nan 0.000 0.458 614 N N -0.004 118.432 118.700 -0.440 0.000 2.696 614 N HA 0.148 4.887 4.740 -0.002 0.000 0.308 614 N C -2.601 172.832 175.510 -0.127 0.000 1.915 614 N CA -0.985 51.979 53.050 -0.144 0.000 0.906 614 N CB 0.991 39.454 38.487 -0.041 0.000 1.284 614 N HN 0.135 nan 8.380 nan 0.000 0.488 615 P HA 0.072 nan 4.420 nan 0.000 0.249 615 P C 0.955 178.212 177.300 -0.073 0.000 1.593 615 P CA 0.211 63.191 63.100 -0.200 0.000 0.896 615 P CB -0.006 31.471 31.700 -0.372 0.000 1.581 616 V N -4.389 115.527 119.914 0.004 0.000 3.605 616 V HA 0.255 4.374 4.120 -0.002 0.000 0.284 616 V C 1.683 177.844 176.094 0.111 0.000 1.386 616 V CA 0.179 62.544 62.300 0.109 0.000 1.053 616 V CB -0.333 31.581 31.823 0.151 0.000 0.857 616 V HN 0.041 nan 8.190 nan 0.000 0.436 617 I N -0.225 120.365 120.570 0.032 0.000 3.939 617 I HA 0.365 4.533 4.170 -0.002 0.000 0.313 617 I C 0.884 176.946 176.117 -0.092 0.000 1.274 617 I CA -0.207 61.041 61.300 -0.086 0.000 1.301 617 I CB 0.982 38.740 38.000 -0.403 0.000 1.105 617 I HN 0.336 nan 8.210 nan 0.000 0.427 618 L N 2.514 123.699 121.223 -0.063 0.000 2.499 618 L HA 0.171 4.510 4.340 -0.002 0.000 0.273 618 L C 0.179 177.060 176.870 0.020 0.000 1.195 618 L CA 1.018 55.807 54.840 -0.085 0.000 0.882 618 L CB 0.439 42.364 42.059 -0.223 0.000 1.133 618 L HN 0.349 nan 8.230 nan 0.000 0.483 619 T N 2.756 117.362 114.554 0.087 0.000 2.896 619 T HA 0.453 4.802 4.350 -0.002 0.000 0.297 619 T C -0.156 174.660 174.700 0.193 0.000 1.108 619 T CA -1.076 61.105 62.100 0.135 0.000 1.004 619 T CB 1.045 69.949 68.868 0.060 0.000 1.159 619 T HN 0.728 nan 8.240 nan 0.000 0.499 620 R N 0.214 120.782 120.500 0.113 0.000 2.537 620 R HA 0.351 4.690 4.340 -0.002 0.000 0.280 620 R C -0.295 175.885 176.300 -0.199 0.000 1.058 620 R CA -0.450 55.482 56.100 -0.279 0.000 1.057 620 R CB -0.017 30.155 30.300 -0.212 0.000 0.973 620 R HN 0.815 nan 8.270 nan 0.000 0.438 621 C N 4.917 124.053 119.300 -0.274 0.000 2.285 621 C HA 0.260 4.718 4.460 -0.002 0.000 0.335 621 C C 0.648 175.567 174.990 -0.119 0.000 1.267 621 C CA -0.653 58.298 59.018 -0.112 0.000 1.762 621 C CB 0.123 27.832 27.740 -0.051 0.000 2.365 621 C HN 0.830 nan 8.230 nan 0.000 0.527 622 D N 2.957 123.315 120.400 -0.070 0.000 2.389 622 D HA 0.315 4.954 4.640 -0.002 0.000 0.206 622 D C 0.438 176.712 176.300 -0.042 0.000 1.055 622 D CA 0.832 54.796 54.000 -0.061 0.000 0.856 622 D CB 0.835 41.610 40.800 -0.043 0.000 0.957 622 D HN 0.822 nan 8.370 nan 0.000 0.509 623 A N 0.127 122.931 122.820 -0.028 0.000 2.590 623 A HA 0.360 4.679 4.320 -0.002 0.000 0.294 623 A C -1.465 176.119 177.584 -0.001 0.000 1.046 623 A CA -0.679 51.347 52.037 -0.019 0.000 0.684 623 A CB 0.707 19.700 19.000 -0.012 0.000 1.279 623 A HN -0.054 nan 8.150 nan 0.000 0.415 624 L N 1.943 123.160 121.223 -0.009 0.000 2.416 624 L HA 0.316 4.655 4.340 -0.002 0.000 0.272 624 L C -1.849 175.053 176.870 0.055 0.000 1.161 624 L CA -0.737 54.111 54.840 0.013 0.000 0.845 624 L CB -0.020 42.001 42.059 -0.064 0.000 1.119 624 L HN 0.500 nan 8.230 nan 0.000 0.464 625 P HA 0.025 nan 4.420 nan 0.000 0.268 625 P C 0.812 178.173 177.300 0.102 0.000 1.208 625 P CA -0.096 63.071 63.100 0.111 0.000 0.777 625 P CB 0.529 32.316 31.700 0.146 0.000 0.875 626 S N 1.494 117.234 115.700 0.067 0.000 2.399 626 S HA -0.220 4.249 4.470 -0.002 0.000 0.231 626 S C 1.142 175.783 174.600 0.068 0.000 1.022 626 S CA 1.483 59.713 58.200 0.050 0.000 0.983 626 S CB -1.282 61.938 63.200 0.034 0.000 0.803 626 S HN 0.703 nan 8.310 nan 0.000 0.480 627 N N -0.660 118.095 118.700 0.091 0.000 2.383 627 N HA 0.123 4.861 4.740 -0.002 0.000 0.192 627 N C -0.203 175.418 175.510 0.184 0.000 1.141 627 N CA -0.257 52.851 53.050 0.097 0.000 0.851 627 N CB -0.033 38.492 38.487 0.064 0.000 0.976 627 N HN 0.358 nan 8.380 nan 0.000 0.465 628 F N 2.021 121.965 119.950 -0.009 0.000 2.622 628 F HA 0.453 4.979 4.527 -0.002 0.000 0.338 628 F C -2.692 173.086 175.800 -0.037 0.000 1.334 628 F CA -3.473 54.515 58.000 -0.021 0.000 1.179 628 F CB 1.273 40.269 39.000 -0.007 0.000 1.471 628 F HN -0.014 nan 8.300 nan 0.000 0.576 629 P HA 0.102 nan 4.420 nan 0.000 0.220 629 P C -0.388 176.800 177.300 -0.185 0.000 1.806 629 P CA 0.264 63.320 63.100 -0.074 0.000 0.976 629 P CB 0.335 32.033 31.700 -0.003 0.000 1.952 630 V N 2.150 121.833 119.914 -0.385 0.000 2.530 630 V HA 0.252 4.371 4.120 -0.002 0.000 0.282 630 V C 1.315 177.370 176.094 -0.065 0.000 1.048 630 V CA 0.208 62.271 62.300 -0.394 0.000 0.997 630 V CB 0.981 32.404 31.823 -0.666 0.000 0.987 630 V HN 0.430 nan 8.190 nan 0.000 0.477 631 T N 0.713 115.420 114.554 0.256 0.000 2.919 631 T HA 0.293 4.642 4.350 -0.002 0.000 0.282 631 T C 0.944 175.633 174.700 -0.020 0.000 1.020 631 T CA -0.399 61.726 62.100 0.042 0.000 0.994 631 T CB 1.090 69.947 68.868 -0.018 0.000 1.180 631 T HN 0.405 nan 8.240 nan 0.000 0.566 632 N N 0.718 119.376 118.700 -0.070 0.000 2.149 632 N HA -0.129 4.610 4.740 -0.002 0.000 0.188 632 N C 2.210 177.650 175.510 -0.115 0.000 1.019 632 N CA 2.378 55.373 53.050 -0.092 0.000 0.857 632 N CB -0.624 37.808 38.487 -0.091 0.000 0.997 632 N HN 0.827 nan 8.380 nan 0.000 0.426 633 E N 0.085 120.193 120.200 -0.153 0.000 2.110 633 E HA -0.196 4.153 4.350 -0.002 0.000 0.193 633 E C 1.853 178.319 176.600 -0.222 0.000 0.988 633 E CA 1.514 57.790 56.400 -0.208 0.000 0.804 633 E CB -1.162 28.379 29.700 -0.264 0.000 0.745 633 E HN 0.612 nan 8.360 nan 0.000 0.458 634 H N -0.504 118.494 119.070 -0.121 0.000 2.387 634 H HA -0.058 4.497 4.556 -0.002 0.000 0.299 634 H C 2.225 177.485 175.328 -0.113 0.000 1.090 634 H CA 2.359 58.338 56.048 -0.116 0.000 1.332 634 H CB 0.008 29.690 29.762 -0.133 0.000 1.386 634 H HN 0.513 nan 8.280 nan 0.000 0.516 635 V N -1.837 118.073 119.914 -0.007 0.000 3.477 635 V HA 0.160 4.279 4.120 -0.002 0.000 0.297 635 V C 1.524 177.543 176.094 -0.125 0.000 1.433 635 V CA 0.348 62.614 62.300 -0.057 0.000 1.052 635 V CB 0.097 31.870 31.823 -0.084 0.000 0.895 635 V HN 0.060 nan 8.190 nan 0.000 0.438 636 N N 2.424 121.034 118.700 -0.149 0.000 2.149 636 N HA -0.098 4.641 4.740 -0.002 0.000 0.188 636 N C 1.799 177.191 175.510 -0.195 0.000 1.019 636 N CA 1.857 54.805 53.050 -0.170 0.000 0.857 636 N CB -0.227 38.168 38.487 -0.154 0.000 0.997 636 N HN 0.612 nan 8.380 nan 0.000 0.426 637 A N -1.062 121.596 122.820 -0.270 0.000 2.125 637 A HA -0.019 4.300 4.320 -0.002 0.000 0.219 637 A C 2.091 179.570 177.584 -0.175 0.000 1.156 637 A CA 1.432 53.256 52.037 -0.355 0.000 0.671 637 A CB -0.339 18.146 19.000 -0.858 0.000 0.794 637 A HN 0.321 nan 8.150 nan 0.000 0.459 638 S N -0.853 114.805 115.700 -0.070 0.000 2.524 638 S HA 0.297 4.766 4.470 -0.002 0.000 0.216 638 S C 0.491 175.032 174.600 -0.097 0.000 0.987 638 S CA -0.233 57.983 58.200 0.027 0.000 0.909 638 S CB -0.111 63.124 63.200 0.060 0.000 0.781 638 S HN 0.460 nan 8.310 nan 0.000 0.521 639 L N 2.647 123.715 121.223 -0.258 0.000 2.350 639 L HA 0.372 4.710 4.340 -0.002 0.000 0.275 639 L C 0.279 177.079 176.870 -0.117 0.000 1.099 639 L CA -0.344 54.213 54.840 -0.472 0.000 0.808 639 L CB 0.736 42.512 42.059 -0.473 0.000 1.149 639 L HN 0.162 nan 8.230 nan 0.000 0.442 640 D N -0.065 120.376 120.400 0.069 0.000 2.602 640 D HA 0.043 4.682 4.640 -0.002 0.000 0.265 640 D C 0.864 177.221 176.300 0.096 0.000 1.454 640 D CA -0.321 53.736 54.000 0.095 0.000 0.795 640 D CB 0.222 41.090 40.800 0.113 0.000 1.140 640 D HN 0.325 nan 8.370 nan 0.000 0.486 641 R N 0.212 120.786 120.500 0.123 0.000 2.468 641 R HA 0.451 4.790 4.340 -0.002 0.000 0.280 641 R C 1.053 177.384 176.300 0.052 0.000 0.963 641 R CA 0.470 56.622 56.100 0.087 0.000 1.083 641 R CB 0.677 31.048 30.300 0.119 0.000 1.200 641 R HN 0.209 nan 8.270 nan 0.000 0.541 642 G N 1.118 109.934 108.800 0.026 0.000 2.157 642 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.248 642 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.248 642 G C -0.063 174.838 174.900 0.003 0.000 0.979 642 G CA 0.008 45.113 45.100 0.009 0.000 0.650 642 G HN 0.242 nan 8.290 nan 0.000 0.529 643 K N -0.117 120.286 120.400 0.004 0.000 2.395 643 K HA 0.488 4.807 4.320 -0.002 0.000 0.247 643 K C -0.320 176.256 176.600 -0.040 0.000 0.973 643 K CA -1.084 55.202 56.287 -0.002 0.000 0.828 643 K CB 1.180 33.703 32.500 0.038 0.000 1.272 643 K HN 0.069 nan 8.250 nan 0.000 0.439 644 N N 0.871 119.543 118.700 -0.046 0.000 2.418 644 N HA 0.096 4.835 4.740 -0.002 0.000 0.283 644 N C 0.973 176.437 175.510 -0.078 0.000 1.267 644 N CA -0.409 52.597 53.050 -0.074 0.000 0.975 644 N CB 0.429 38.878 38.487 -0.064 0.000 1.167 644 N HN 0.407 nan 8.380 nan 0.000 0.581 645 L N 1.344 122.511 121.223 -0.094 0.000 2.042 645 L HA -0.190 4.149 4.340 -0.002 0.000 0.210 645 L C 1.814 178.651 176.870 -0.055 0.000 1.076 645 L CA 1.929 56.715 54.840 -0.089 0.000 0.749 645 L CB -0.847 41.154 42.059 -0.096 0.000 0.893 645 L HN 0.646 nan 8.230 nan 0.000 0.432 646 D N -0.872 119.498 120.400 -0.051 0.000 2.123 646 D HA -0.275 4.364 4.640 -0.002 0.000 0.196 646 D C 1.738 178.020 176.300 -0.031 0.000 0.992 646 D CA 1.982 55.958 54.000 -0.041 0.000 0.833 646 D CB -0.557 40.219 40.800 -0.039 0.000 0.954 646 D HN 0.605 nan 8.370 nan 0.000 0.455 647 E N 0.197 120.383 120.200 -0.023 0.000 2.107 647 E HA -0.100 4.249 4.350 -0.002 0.000 0.191 647 E C 2.142 178.747 176.600 0.010 0.000 0.982 647 E CA 0.687 57.081 56.400 -0.009 0.000 0.809 647 E CB 0.084 29.784 29.700 -0.000 0.000 0.756 647 E HN 0.260 nan 8.360 nan 0.000 0.459 648 E N 0.745 120.964 120.200 0.032 0.000 2.106 648 E HA -0.130 4.219 4.350 -0.002 0.000 0.192 648 E C 2.141 178.765 176.600 0.040 0.000 0.984 648 E CA 0.615 57.080 56.400 0.108 0.000 0.806 648 E CB -0.088 29.708 29.700 0.160 0.000 0.750 648 E HN 0.346 nan 8.360 nan 0.000 0.458 649 I N 0.916 121.482 120.570 -0.006 0.000 2.163 649 I HA -0.310 3.859 4.170 -0.002 0.000 0.243 649 I C 2.501 178.571 176.117 -0.078 0.000 1.085 649 I CA 1.263 62.533 61.300 -0.050 0.000 1.347 649 I CB -0.156 37.814 38.000 -0.051 0.000 1.044 649 I HN -0.041 nan 8.210 nan 0.000 0.408 650 K N -0.299 120.066 120.400 -0.059 0.000 2.148 650 K HA -0.172 4.147 4.320 -0.002 0.000 0.204 650 K C 1.429 177.973 176.600 -0.093 0.000 1.050 650 K CA 1.330 57.578 56.287 -0.065 0.000 0.942 650 K CB -0.565 31.909 32.500 -0.044 0.000 0.724 650 K HN 0.388 nan 8.250 nan 0.000 0.446 651 D N -1.083 119.249 120.400 -0.113 0.000 2.363 651 D HA 0.097 4.736 4.640 -0.002 0.000 0.220 651 D C 1.041 177.102 176.300 -0.397 0.000 0.994 651 D CA 0.977 54.847 54.000 -0.216 0.000 0.890 651 D CB 0.197 40.879 40.800 -0.196 0.000 0.906 651 D HN 0.458 nan 8.370 nan 0.000 0.530 652 G N 0.124 108.757 108.800 -0.278 0.000 2.137 652 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.237 652 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.237 652 G C 0.518 175.308 174.900 -0.183 0.000 1.002 652 G CA 0.187 45.136 45.100 -0.252 0.000 0.702 652 G HN 0.530 nan 8.290 nan 0.000 0.515 653 H N -0.995 118.107 119.070 0.054 0.000 2.652 653 H HA 0.376 4.931 4.556 -0.002 0.000 0.274 653 H C 0.729 176.196 175.328 0.233 0.000 1.021 653 H CA -0.476 55.687 56.048 0.192 0.000 1.187 653 H CB 0.790 30.666 29.762 0.189 0.000 1.505 653 H HN 0.311 nan 8.280 nan 0.000 0.530 654 I N 1.439 122.036 120.570 0.045 0.000 2.378 654 I HA 0.194 4.363 4.170 -0.002 0.000 0.291 654 I C -0.701 175.210 176.117 -0.343 0.000 0.992 654 I CA -0.627 60.707 61.300 0.056 0.000 1.154 654 I CB 0.601 38.627 38.000 0.042 0.000 1.315 654 I HN 0.098 nan 8.210 nan 0.000 0.448 655 Y N 5.849 126.248 120.300 0.167 0.000 2.602 655 Y HA 0.715 5.264 4.550 -0.002 0.000 0.342 655 Y C -0.071 175.963 175.900 0.223 0.000 1.029 655 Y CA -0.851 57.322 58.100 0.121 0.000 1.080 655 Y CB 2.798 41.271 38.460 0.021 0.000 1.284 655 Y HN 0.429 nan 8.280 nan 0.000 0.485 656 I N 1.432 122.176 120.570 0.290 0.000 2.841 656 I HA 0.642 4.810 4.170 -0.002 0.000 0.298 656 I C -1.775 174.426 176.117 0.141 0.000 1.304 656 I CA -1.043 60.422 61.300 0.276 0.000 1.019 656 I CB 1.864 39.980 38.000 0.194 0.000 1.282 656 I HN 0.453 nan 8.210 nan 0.000 0.432 657 V N 2.092 122.073 119.914 0.112 0.000 2.604 657 V HA 0.733 4.852 4.120 -0.002 0.000 0.305 657 V C -1.292 174.696 176.094 -0.177 0.000 1.043 657 V CA -0.340 61.891 62.300 -0.115 0.000 0.888 657 V CB 1.693 33.435 31.823 -0.135 0.000 0.995 657 V HN 0.726 nan 8.190 nan 0.000 0.429 658 D N 2.824 123.029 120.400 -0.324 0.000 2.542 658 D HA 0.440 5.079 4.640 -0.002 0.000 0.252 658 D C -0.620 175.490 176.300 -0.316 0.000 1.222 658 D CA -0.559 53.306 54.000 -0.225 0.000 0.895 658 D CB 1.472 42.206 40.800 -0.110 0.000 1.207 658 D HN 0.499 nan 8.370 nan 0.000 0.558 659 F N 2.779 122.713 119.950 -0.027 0.000 2.777 659 F HA 0.213 4.739 4.527 -0.002 0.000 0.291 659 F C 2.214 178.079 175.800 0.108 0.000 1.187 659 F CA -0.328 57.690 58.000 0.029 0.000 1.406 659 F CB 0.335 39.355 39.000 0.034 0.000 0.982 659 F HN 0.326 nan 8.300 nan 0.000 0.509 660 K N 0.237 120.740 120.400 0.171 0.000 2.127 660 K HA -0.226 4.093 4.320 -0.002 0.000 0.208 660 K C 2.206 178.930 176.600 0.207 0.000 1.047 660 K CA 1.468 57.841 56.287 0.144 0.000 0.927 660 K CB -0.327 32.223 32.500 0.082 0.000 0.716 660 K HN 0.294 nan 8.250 nan 0.000 0.450 661 V N 1.352 121.438 119.914 0.288 0.000 2.688 661 V HA -0.208 3.911 4.120 -0.002 0.000 0.256 661 V C 1.879 178.253 176.094 0.467 0.000 1.084 661 V CA 1.541 64.050 62.300 0.349 0.000 1.103 661 V CB -0.203 31.850 31.823 0.383 0.000 0.688 661 V HN 0.352 nan 8.190 nan 0.000 0.480 662 L N -0.515 120.968 121.223 0.433 0.000 2.395 662 L HA 0.048 4.387 4.340 -0.002 0.000 0.218 662 L C 0.916 177.886 176.870 0.167 0.000 1.130 662 L CA -0.052 54.953 54.840 0.275 0.000 0.826 662 L CB -0.119 42.040 42.059 0.167 0.000 0.941 662 L HN 0.100 nan 8.230 nan 0.000 0.451 663 V N 1.078 121.081 119.914 0.149 0.000 2.644 663 V HA 0.045 4.164 4.120 -0.002 0.000 0.305 663 V C 1.425 177.571 176.094 0.086 0.000 1.053 663 V CA 1.350 63.695 62.300 0.076 0.000 1.186 663 V CB 0.200 32.058 31.823 0.059 0.000 0.895 663 V HN 0.651 nan 8.190 nan 0.000 0.490 664 G N 3.374 112.202 108.800 0.047 0.000 2.176 664 G HA2 -0.116 3.842 3.960 -0.002 0.000 0.253 664 G HA3 -0.116 3.842 3.960 -0.002 0.000 0.253 664 G C 0.425 175.378 174.900 0.088 0.000 0.979 664 G CA 0.167 45.303 45.100 0.061 0.000 0.641 664 G HN 1.634 nan 8.290 nan 0.000 0.530 665 A N -0.125 122.752 122.820 0.095 0.000 2.477 665 A HA 0.601 4.919 4.320 -0.002 0.000 0.246 665 A C 0.488 178.135 177.584 0.106 0.000 1.078 665 A CA 1.127 53.222 52.037 0.098 0.000 0.770 665 A CB 0.539 19.545 19.000 0.009 0.000 1.011 665 A HN 0.965 nan 8.150 nan 0.000 0.494 666 K N 2.103 122.563 120.400 0.101 0.000 2.240 666 K HA 0.451 4.770 4.320 -0.002 0.000 0.271 666 K C -0.048 176.600 176.600 0.080 0.000 1.018 666 K CA 0.004 56.346 56.287 0.092 0.000 0.874 666 K CB 0.784 33.325 32.500 0.068 0.000 1.098 666 K HN 0.712 nan 8.250 nan 0.000 0.458 667 S N 3.215 118.956 115.700 0.068 0.000 2.687 667 S HA 0.329 4.798 4.470 -0.002 0.000 0.283 667 S C -0.272 174.336 174.600 0.012 0.000 1.170 667 S CA -0.777 57.447 58.200 0.040 0.000 1.008 667 S CB 0.303 63.510 63.200 0.012 0.000 1.026 667 S HN 0.549 nan 8.310 nan 0.000 0.541 668 Y N 1.026 121.274 120.300 -0.087 0.000 2.597 668 Y HA 0.363 4.912 4.550 -0.002 0.000 0.336 668 Y C 0.990 176.804 175.900 -0.143 0.000 1.216 668 Y CA 0.733 58.779 58.100 -0.091 0.000 1.463 668 Y CB 0.202 38.607 38.460 -0.093 0.000 1.303 668 Y HN 0.919 nan 8.280 nan 0.000 0.576 669 G N 2.747 111.446 108.800 -0.168 0.000 2.393 669 G HA2 0.457 4.416 3.960 -0.002 0.000 0.311 669 G HA3 0.457 4.416 3.960 -0.002 0.000 0.311 669 G C 0.549 175.349 174.900 -0.167 0.000 1.067 669 G CA 0.215 45.119 45.100 -0.327 0.000 1.000 669 G HN 1.251 nan 8.290 nan 0.000 0.422 670 G N 4.019 112.740 108.800 -0.132 0.000 3.180 670 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.197 670 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.197 670 G C -2.287 172.592 174.900 -0.035 0.000 1.149 670 G CA -0.341 44.713 45.100 -0.076 0.000 0.847 670 G HN 0.723 nan 8.290 nan 0.000 0.469 671 P HA 0.481 nan 4.420 nan 0.000 0.265 671 P C -0.381 177.044 177.300 0.207 0.000 1.193 671 P CA 0.179 63.290 63.100 0.019 0.000 0.765 671 P CB 1.547 33.032 31.700 -0.359 0.000 0.823 672 V N 4.618 124.718 119.914 0.310 0.000 2.444 672 V HA 0.192 4.311 4.120 -0.002 0.000 0.294 672 V C 0.056 176.247 176.094 0.160 0.000 1.022 672 V CA -0.895 61.536 62.300 0.219 0.000 0.850 672 V CB 1.590 33.482 31.823 0.116 0.000 0.992 672 V HN 0.392 nan 8.190 nan 0.000 0.426 673 L N 5.798 127.039 121.223 0.029 0.000 2.455 673 L HA 0.359 4.698 4.340 -0.002 0.000 0.272 673 L C 0.301 177.045 176.870 -0.209 0.000 1.174 673 L CA 0.859 55.492 54.840 -0.344 0.000 0.869 673 L CB 0.203 42.148 42.059 -0.189 0.000 1.130 673 L HN 0.730 nan 8.230 nan 0.000 0.474 674 E N 2.188 122.216 120.200 -0.286 0.000 2.264 674 E HA 0.207 4.556 4.350 -0.002 0.000 0.260 674 E C 0.196 176.724 176.600 -0.120 0.000 0.961 674 E CA -0.295 56.025 56.400 -0.134 0.000 0.834 674 E CB 0.891 30.538 29.700 -0.088 0.000 1.230 674 E HN 0.698 nan 8.360 nan 0.000 0.412 675 D N 0.938 121.303 120.400 -0.058 0.000 2.190 675 D HA -0.213 4.426 4.640 -0.002 0.000 0.200 675 D C 1.595 177.864 176.300 -0.051 0.000 0.992 675 D CA 1.425 55.402 54.000 -0.039 0.000 0.854 675 D CB -0.415 40.377 40.800 -0.013 0.000 0.936 675 D HN 0.459 nan 8.370 nan 0.000 0.462 676 I N -3.652 116.883 120.570 -0.058 0.000 3.419 676 I HA 0.482 4.651 4.170 -0.002 0.000 0.286 676 I C 1.442 177.509 176.117 -0.084 0.000 1.268 676 I CA 0.336 61.606 61.300 -0.049 0.000 1.414 676 I CB 0.173 38.159 38.000 -0.023 0.000 1.074 676 I HN 0.291 nan 8.210 nan 0.000 0.457 677 G N -0.035 108.664 108.800 -0.168 0.000 2.637 677 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.211 677 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.211 677 G C -0.900 173.742 174.900 -0.430 0.000 1.213 677 G CA -0.309 44.627 45.100 -0.274 0.000 1.207 677 G HN 0.263 nan 8.290 nan 0.000 0.559 678 Y N 1.669 121.979 120.300 0.017 0.000 2.462 678 Y HA 0.661 5.210 4.550 -0.002 0.000 0.346 678 Y C 0.711 176.643 175.900 0.052 0.000 0.976 678 Y CA -0.018 58.124 58.100 0.069 0.000 1.044 678 Y CB 1.875 40.421 38.460 0.143 0.000 1.230 678 Y HN 0.854 nan 8.280 nan 0.000 0.455 679 K N 2.241 122.777 120.400 0.226 0.000 2.339 679 K HA 0.693 5.012 4.320 -0.002 0.000 0.286 679 K C 0.102 176.788 176.600 0.144 0.000 1.050 679 K CA 0.175 56.546 56.287 0.140 0.000 0.956 679 K CB -0.532 32.032 32.500 0.106 0.000 0.990 679 K HN 0.862 nan 8.250 nan 0.000 0.475 689 A N 1.048 123.871 122.820 0.005 0.000 2.492 689 A HA 0.469 4.788 4.320 -0.002 0.000 0.236 689 A C 0.392 177.976 177.584 -0.000 0.000 1.078 689 A CA 0.414 52.456 52.037 0.008 0.000 0.773 689 A CB 0.443 19.452 19.000 0.016 0.000 1.023 689 A HN 0.634 nan 8.150 nan 0.000 0.504 690 D N 0.922 121.336 120.400 0.023 0.000 2.422 690 D HA 0.433 5.071 4.640 -0.002 0.000 0.227 690 D C -0.802 175.541 176.300 0.070 0.000 1.190 690 D CA 0.228 54.234 54.000 0.010 0.000 0.905 690 D CB -0.417 40.378 40.800 -0.009 0.000 1.034 690 D HN 0.317 nan 8.370 nan 0.000 0.507 691 I N 3.735 124.289 120.570 -0.027 0.000 2.436 691 I HA 0.405 4.574 4.170 -0.002 0.000 0.289 691 I C 0.440 176.416 176.117 -0.235 0.000 1.010 691 I CA -0.735 60.495 61.300 -0.118 0.000 1.098 691 I CB 1.687 39.610 38.000 -0.130 0.000 1.266 691 I HN 0.006 nan 8.210 nan 0.000 0.434 692 R N 4.788 125.092 120.500 -0.327 0.000 2.778 692 R HA 0.720 5.059 4.340 -0.002 0.000 0.277 692 R C -1.653 174.344 176.300 -0.506 0.000 0.977 692 R CA -0.964 54.977 56.100 -0.265 0.000 0.950 692 R CB 2.233 32.473 30.300 -0.100 0.000 1.165 692 R HN 0.396 nan 8.270 nan 0.000 0.474 693 Y N -0.590 119.704 120.300 -0.009 0.000 2.512 693 Y HA 0.476 5.025 4.550 -0.002 0.000 0.348 693 Y C -0.037 176.018 175.900 0.258 0.000 0.990 693 Y CA -0.604 57.546 58.100 0.082 0.000 1.033 693 Y CB 2.033 40.579 38.460 0.142 0.000 1.259 693 Y HN 0.532 nan 8.280 nan 0.000 0.461 694 C N 1.015 120.667 119.300 0.588 0.000 3.205 694 C HA 1.004 5.463 4.460 -0.002 0.000 0.372 694 C C -0.725 174.609 174.990 0.573 0.000 1.892 694 C CA -0.045 59.248 59.018 0.458 0.000 1.516 694 C CB 1.222 29.092 27.740 0.216 0.000 2.371 694 C HN 1.008 nan 8.230 nan 0.000 0.468 695 A N -0.354 122.668 122.820 0.336 0.000 2.599 695 A HA 0.830 5.148 4.320 -0.002 0.000 0.290 695 A C -1.308 176.353 177.584 0.128 0.000 1.101 695 A CA 0.269 52.443 52.037 0.229 0.000 0.674 695 A CB 0.641 19.844 19.000 0.339 0.000 1.277 695 A HN 1.954 nan 8.150 nan 0.000 0.419 696 A N 1.679 124.557 122.820 0.096 0.000 3.105 696 A HA 0.712 5.030 4.320 -0.002 0.000 0.336 696 A C -2.834 174.833 177.584 0.138 0.000 1.042 696 A CA -1.354 50.771 52.037 0.147 0.000 0.851 696 A CB -0.015 19.058 19.000 0.120 0.000 1.068 696 A HN 0.449 nan 8.150 nan 0.000 0.477 697 P HA 0.578 nan 4.420 nan 0.000 0.278 697 P C -0.697 176.640 177.300 0.062 0.000 1.258 697 P CA -0.362 62.808 63.100 0.117 0.000 0.811 697 P CB 1.305 33.109 31.700 0.173 0.000 1.063 698 L N 0.492 121.577 121.223 -0.231 0.000 2.334 698 L HA 0.807 5.146 4.340 -0.002 0.000 0.273 698 L C 0.168 176.767 176.870 -0.451 0.000 1.013 698 L CA -0.516 54.015 54.840 -0.514 0.000 0.816 698 L CB 1.660 42.990 42.059 -1.216 0.000 1.278 698 L HN 0.434 nan 8.230 nan 0.000 0.431 699 A N 2.256 124.994 122.820 -0.137 0.000 2.520 699 A HA 0.808 5.126 4.320 -0.002 0.000 0.298 699 A C -1.846 175.815 177.584 0.127 0.000 1.051 699 A CA -0.422 51.641 52.037 0.043 0.000 0.690 699 A CB 1.547 20.538 19.000 -0.014 0.000 1.281 699 A HN 0.514 nan 8.150 nan 0.000 0.402 700 L N 1.453 122.729 121.223 0.088 0.000 2.334 700 L HA 0.929 5.268 4.340 -0.002 0.000 0.276 700 L C -1.438 175.290 176.870 -0.237 0.000 1.014 700 L CA -0.336 54.564 54.840 0.100 0.000 0.815 700 L CB 1.123 43.241 42.059 0.099 0.000 1.268 700 L HN 0.615 nan 8.230 nan 0.000 0.428 701 F N 3.402 123.452 119.950 0.166 0.000 2.603 701 F HA 0.502 5.028 4.527 -0.002 0.000 0.317 701 F C -1.177 174.791 175.800 0.281 0.000 1.066 701 F CA -0.547 57.560 58.000 0.179 0.000 0.941 701 F CB 1.793 40.843 39.000 0.083 0.000 1.291 701 F HN 0.373 nan 8.300 nan 0.000 0.472 702 Y N 1.317 121.804 120.300 0.312 0.000 2.421 702 Y HA 0.687 5.236 4.550 -0.002 0.000 0.339 702 Y C -1.588 174.428 175.900 0.193 0.000 0.996 702 Y CA -1.479 56.759 58.100 0.230 0.000 1.046 702 Y CB 1.434 39.972 38.460 0.129 0.000 1.226 702 Y HN 0.344 nan 8.280 nan 0.000 0.445 703 V N 7.744 127.449 119.914 -0.347 0.000 2.405 703 V HA 0.138 4.257 4.120 -0.002 0.000 0.264 703 V C 0.030 175.467 176.094 -1.094 0.000 1.048 703 V CA -0.454 61.548 62.300 -0.497 0.000 0.966 703 V CB -0.419 31.282 31.823 -0.203 0.000 1.015 703 V HN 0.845 nan 8.190 nan 0.000 0.477 704 N N 5.317 123.538 118.700 -0.798 0.000 2.364 704 N HA 0.148 4.887 4.740 -0.002 0.000 0.264 704 N C 1.023 176.283 175.510 -0.416 0.000 1.263 704 N CA -0.596 52.062 53.050 -0.653 0.000 0.959 704 N CB 0.364 38.732 38.487 -0.198 0.000 1.204 704 N HN 0.581 nan 8.380 nan 0.000 0.550 705 K N -0.634 119.629 120.400 -0.228 0.000 2.362 705 K HA -0.008 4.311 4.320 -0.002 0.000 0.200 705 K C 0.989 177.455 176.600 -0.224 0.000 1.046 705 K CA 1.042 57.212 56.287 -0.194 0.000 0.952 705 K CB -0.412 32.036 32.500 -0.086 0.000 0.753 705 K HN 0.475 nan 8.250 nan 0.000 0.466 706 L N 0.742 121.774 121.223 -0.318 0.000 2.591 706 L HA 0.184 4.523 4.340 -0.002 0.000 0.228 706 L C 0.903 177.476 176.870 -0.495 0.000 1.133 706 L CA 0.421 55.001 54.840 -0.434 0.000 0.880 706 L CB -0.113 41.551 42.059 -0.658 0.000 1.033 706 L HN 0.620 nan 8.230 nan 0.000 0.450 707 G N -0.315 108.260 108.800 -0.375 0.000 2.143 707 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.249 707 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.249 707 G C 0.042 174.851 174.900 -0.152 0.000 0.981 707 G CA -0.158 44.797 45.100 -0.241 0.000 0.665 707 G HN 0.558 nan 8.290 nan 0.000 0.528 708 H N -1.048 117.926 119.070 -0.160 0.000 2.502 708 H HA 0.507 5.062 4.556 -0.002 0.000 0.327 708 H C 0.127 175.363 175.328 -0.154 0.000 1.099 708 H CA -1.005 54.951 56.048 -0.153 0.000 1.323 708 H CB 1.855 31.520 29.762 -0.161 0.000 1.450 708 H HN 0.166 nan 8.280 nan 0.000 0.502 709 L N 4.317 125.544 121.223 0.007 0.000 2.325 709 L HA 0.166 4.505 4.340 -0.002 0.000 0.284 709 L C -0.915 176.054 176.870 0.164 0.000 1.089 709 L CA 0.051 54.895 54.840 0.007 0.000 0.836 709 L CB 0.077 42.059 42.059 -0.128 0.000 1.184 709 L HN 0.579 nan 8.230 nan 0.000 0.444 710 M N 7.559 127.307 119.600 0.247 0.000 2.364 710 M HA 0.482 4.960 4.480 -0.002 0.000 0.334 710 M C -2.466 174.079 176.300 0.408 0.000 1.107 710 M CA -2.315 53.172 55.300 0.311 0.000 0.988 710 M CB 1.583 34.328 32.600 0.242 0.000 1.673 710 M HN 0.327 nan 8.290 nan 0.000 0.441 711 P HA 0.237 nan 4.420 nan 0.000 0.276 711 P C 0.236 177.597 177.300 0.102 0.000 1.253 711 P CA -0.038 63.113 63.100 0.085 0.000 0.766 711 P CB 0.346 32.282 31.700 0.392 0.000 0.845 712 I N 0.514 121.063 120.570 -0.034 0.000 4.323 712 I HA 0.604 4.773 4.170 -0.002 0.000 0.328 712 I C 0.268 176.340 176.117 -0.076 0.000 1.310 712 I CA -0.340 60.926 61.300 -0.057 0.000 1.186 712 I CB 0.625 38.626 38.000 0.001 0.000 1.130 712 I HN 0.178 nan 8.210 nan 0.000 0.411 713 A N 1.556 124.405 122.820 0.048 0.000 2.555 713 A HA 0.809 5.128 4.320 -0.002 0.000 0.297 713 A C -1.322 176.495 177.584 0.388 0.000 1.060 713 A CA -0.337 51.801 52.037 0.168 0.000 0.710 713 A CB 1.316 20.299 19.000 -0.027 0.000 1.282 713 A HN 0.230 nan 8.150 nan 0.000 0.399 714 I N 1.127 122.012 120.570 0.525 0.000 2.582 714 I HA 0.465 4.634 4.170 -0.002 0.000 0.292 714 I C -0.403 176.027 176.117 0.522 0.000 1.066 714 I CA -0.383 61.190 61.300 0.455 0.000 1.053 714 I CB 2.422 40.624 38.000 0.338 0.000 1.241 714 I HN 0.794 nan 8.210 nan 0.000 0.421 715 Q N 5.436 125.414 119.800 0.297 0.000 2.325 715 Q HA 0.474 4.813 4.340 -0.002 0.000 0.270 715 Q C -0.054 176.029 176.000 0.138 0.000 1.020 715 Q CA -0.489 55.465 55.803 0.251 0.000 0.785 715 Q CB 2.003 30.831 28.738 0.150 0.000 1.259 715 Q HN 0.740 nan 8.270 nan 0.000 0.452 716 I N 2.272 122.971 120.570 0.216 0.000 2.394 716 I HA -0.101 4.067 4.170 -0.002 0.000 0.251 716 I C 0.674 176.808 176.117 0.028 0.000 1.136 716 I CA 0.729 62.091 61.300 0.103 0.000 1.425 716 I CB 0.078 38.065 38.000 -0.022 0.000 1.079 716 I HN 0.554 nan 8.210 nan 0.000 0.425 717 N N -0.791 117.913 118.700 0.007 0.000 2.701 717 N HA 0.216 4.954 4.740 -0.002 0.000 0.290 717 N C 0.293 175.792 175.510 -0.018 0.000 1.338 717 N CA -0.506 52.531 53.050 -0.022 0.000 0.799 717 N CB 1.332 39.778 38.487 -0.069 0.000 1.491 717 N HN -0.086 nan 8.380 nan 0.000 0.540 718 Q N 0.324 120.113 119.800 -0.018 0.000 2.187 718 Q HA -0.056 4.282 4.340 -0.002 0.000 0.199 718 Q C -0.150 175.851 176.000 0.002 0.000 0.957 718 Q CA 0.966 56.762 55.803 -0.011 0.000 0.857 718 Q CB 0.074 28.813 28.738 0.003 0.000 0.929 718 Q HN 0.581 nan 8.270 nan 0.000 0.453 719 E N 2.404 122.604 120.200 0.001 0.000 2.081 719 E HA 0.192 4.541 4.350 -0.002 0.000 0.276 719 E C -2.421 174.188 176.600 0.015 0.000 0.950 719 E CA -2.377 54.029 56.400 0.009 0.000 0.776 719 E CB 1.214 30.914 29.700 0.001 0.000 1.094 719 E HN -0.111 nan 8.360 nan 0.000 0.402 720 P HA 0.447 nan 4.420 nan 0.000 0.276 720 P C -0.118 177.188 177.300 0.010 0.000 1.244 720 P CA -0.159 62.959 63.100 0.030 0.000 0.801 720 P CB 1.549 33.279 31.700 0.051 0.000 1.006 721 G N 0.906 109.703 108.800 -0.006 0.000 2.324 721 G HA2 0.209 4.167 3.960 -0.002 0.000 0.293 721 G HA3 0.209 4.167 3.960 -0.002 0.000 0.293 721 G C -2.681 172.198 174.900 -0.036 0.000 1.297 721 G CA -0.674 44.417 45.100 -0.015 0.000 0.853 721 G HN 0.180 nan 8.290 nan 0.000 0.535 722 P HA 0.012 nan 4.420 nan 0.000 0.220 722 P C 0.911 178.186 177.300 -0.042 0.000 1.148 722 P CA 1.220 64.291 63.100 -0.048 0.000 0.803 722 P CB 0.293 31.975 31.700 -0.030 0.000 0.782 723 E N -1.048 119.143 120.200 -0.015 0.000 2.489 723 E HA 0.003 4.352 4.350 -0.002 0.000 0.193 723 E C 0.408 177.021 176.600 0.021 0.000 1.057 723 E CA 0.073 56.478 56.400 0.008 0.000 0.866 723 E CB -0.171 29.539 29.700 0.016 0.000 0.916 723 E HN 0.118 nan 8.360 nan 0.000 0.500 724 N N 1.077 119.776 118.700 -0.002 0.000 2.726 724 N HA 0.114 4.853 4.740 -0.002 0.000 0.253 724 N C -2.813 172.675 175.510 -0.036 0.000 1.530 724 N CA -1.842 51.222 53.050 0.025 0.000 0.772 724 N CB 0.886 39.384 38.487 0.018 0.000 1.220 724 N HN -0.127 nan 8.380 nan 0.000 0.508 725 P HA 0.377 nan 4.420 nan 0.000 0.301 725 P C -0.215 176.831 177.300 -0.424 0.000 1.309 725 P CA -0.562 62.330 63.100 -0.346 0.000 0.782 725 P CB 1.721 33.096 31.700 -0.541 0.000 1.282 726 I N 0.070 120.420 120.570 -0.366 0.000 2.352 726 I HA 0.150 4.319 4.170 -0.002 0.000 0.290 726 I C -0.116 175.829 176.117 -0.286 0.000 1.036 726 I CA -0.222 60.923 61.300 -0.258 0.000 1.336 726 I CB 0.115 37.867 38.000 -0.413 0.000 1.407 726 I HN 0.238 nan 8.210 nan 0.000 0.497 727 W N 5.149 126.533 121.300 0.141 0.000 2.551 727 W HA 0.583 5.242 4.660 -0.002 0.000 0.330 727 W C 0.345 176.970 176.519 0.178 0.000 1.063 727 W CA -0.422 57.049 57.345 0.210 0.000 1.222 727 W CB 1.656 31.319 29.460 0.338 0.000 1.349 727 W HN 0.405 nan 8.180 nan 0.000 0.536 728 T N -1.439 113.204 114.554 0.149 0.000 2.865 728 T HA 0.408 4.757 4.350 -0.002 0.000 0.294 728 T C -2.254 171.680 174.700 -1.276 0.000 1.119 728 T CA -2.288 59.521 62.100 -0.484 0.000 1.007 728 T CB 2.149 70.895 68.868 -0.202 0.000 1.225 728 T HN 0.082 nan 8.240 nan 0.000 0.515 729 P HA -0.005 nan 4.420 nan 0.000 0.228 729 P C 0.495 177.069 177.300 -1.211 0.000 1.151 729 P CA 1.113 62.919 63.100 -2.156 0.000 0.770 729 P CB -0.368 30.462 31.700 -1.451 0.000 0.786 730 H N -1.441 117.349 119.070 -0.467 0.000 2.524 730 H HA 0.135 4.690 4.556 -0.002 0.000 0.280 730 H C 0.594 175.855 175.328 -0.113 0.000 1.018 730 H CA -0.333 55.581 56.048 -0.223 0.000 1.165 730 H CB -0.257 29.400 29.762 -0.175 0.000 1.411 730 H HN 0.013 nan 8.280 nan 0.000 0.569 731 E N 1.268 121.443 120.200 -0.042 0.000 2.534 731 E HA -0.109 4.239 4.350 -0.002 0.000 0.264 731 E C 0.876 177.527 176.600 0.085 0.000 0.981 731 E CA 0.366 56.826 56.400 0.099 0.000 0.948 731 E CB 0.650 30.486 29.700 0.227 0.000 0.934 731 E HN 0.596 nan 8.360 nan 0.000 0.459 732 E N 1.322 121.580 120.200 0.097 0.000 2.106 732 E HA -0.165 4.184 4.350 -0.002 0.000 0.192 732 E C 0.518 177.170 176.600 0.087 0.000 0.984 732 E CA 0.639 57.084 56.400 0.076 0.000 0.806 732 E CB 0.113 29.855 29.700 0.071 0.000 0.750 732 E HN 0.220 nan 8.360 nan 0.000 0.458 733 N N 1.114 119.891 118.700 0.129 0.000 2.485 733 N HA -0.036 4.703 4.740 -0.002 0.000 0.243 733 N C 0.456 176.032 175.510 0.110 0.000 0.987 733 N CA -0.098 53.033 53.050 0.134 0.000 0.940 733 N CB 0.820 39.425 38.487 0.197 0.000 1.122 733 N HN 0.114 nan 8.380 nan 0.000 0.509 734 E N 2.658 122.854 120.200 -0.007 0.000 2.209 734 E HA -0.263 4.086 4.350 -0.002 0.000 0.196 734 E C 0.353 176.928 176.600 -0.043 0.000 0.993 734 E CA 1.220 57.595 56.400 -0.042 0.000 0.819 734 E CB -0.302 29.312 29.700 -0.143 0.000 0.745 734 E HN 0.605 nan 8.360 nan 0.000 0.477 735 H N 1.000 120.161 119.070 0.151 0.000 2.456 735 H HA -0.060 4.495 4.556 -0.002 0.000 0.296 735 H C 1.309 176.693 175.328 0.093 0.000 1.079 735 H CA 1.455 57.589 56.048 0.142 0.000 1.322 735 H CB -0.055 29.793 29.762 0.143 0.000 1.388 735 H HN 0.321 nan 8.280 nan 0.000 0.538 736 D N 0.110 120.632 120.400 0.204 0.000 2.178 736 D HA -0.158 4.481 4.640 -0.002 0.000 0.202 736 D C 2.128 178.431 176.300 0.004 0.000 0.974 736 D CA 0.431 54.479 54.000 0.079 0.000 0.841 736 D CB -0.384 40.612 40.800 0.327 0.000 0.953 736 D HN 0.518 nan 8.370 nan 0.000 0.478 737 W N 0.703 121.964 121.300 -0.064 0.000 2.409 737 W HA -0.152 4.507 4.660 -0.002 0.000 0.299 737 W C 1.970 178.335 176.519 -0.257 0.000 1.203 737 W CA 0.367 57.636 57.345 -0.126 0.000 1.298 737 W CB -0.137 29.261 29.460 -0.103 0.000 1.127 737 W HN -0.091 nan 8.180 nan 0.000 0.528 738 M N 1.257 120.668 119.600 -0.314 0.000 2.080 738 M HA -0.259 4.220 4.480 -0.002 0.000 0.260 738 M C 2.306 178.206 176.300 -0.666 0.000 1.068 738 M CA 2.207 57.143 55.300 -0.606 0.000 1.109 738 M CB -0.964 31.502 32.600 -0.223 0.000 1.342 738 M HN 0.026 nan 8.290 nan 0.000 0.405 739 M N 0.096 119.561 119.600 -0.224 0.000 2.108 739 M HA -0.072 4.407 4.480 -0.002 0.000 0.261 739 M C 2.045 178.259 176.300 -0.144 0.000 1.066 739 M CA 2.180 57.461 55.300 -0.032 0.000 1.107 739 M CB -0.938 31.691 32.600 0.047 0.000 1.356 739 M HN 0.365 nan 8.290 nan 0.000 0.406 740 A N -0.399 122.176 122.820 -0.408 0.000 1.933 740 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 740 A C 2.192 179.569 177.584 -0.345 0.000 1.175 740 A CA 1.978 53.778 52.037 -0.395 0.000 0.628 740 A CB -0.682 18.024 19.000 -0.490 0.000 0.814 740 A HN 0.596 nan 8.150 nan 0.000 0.444 741 K N -1.227 118.728 120.400 -0.742 0.000 2.097 741 K HA -0.077 4.242 4.320 -0.002 0.000 0.206 741 K C 1.623 178.071 176.600 -0.254 0.000 1.049 741 K CA 1.533 57.358 56.287 -0.771 0.000 0.933 741 K CB -0.340 31.259 32.500 -1.500 0.000 0.717 741 K HN 0.624 nan 8.250 nan 0.000 0.442 742 F N -1.080 118.749 119.950 -0.202 0.000 2.234 742 F HA -0.159 4.367 4.527 -0.002 0.000 0.299 742 F C 1.909 177.564 175.800 -0.242 0.000 1.087 742 F CA 0.319 58.197 58.000 -0.203 0.000 1.340 742 F CB -0.176 38.644 39.000 -0.300 0.000 1.031 742 F HN 0.117 nan 8.300 nan 0.000 0.500 743 W N -0.230 121.121 121.300 0.085 0.000 2.388 743 W HA -0.136 4.523 4.660 -0.002 0.000 0.294 743 W C 2.247 178.791 176.519 0.042 0.000 1.212 743 W CA 0.369 57.742 57.345 0.047 0.000 1.271 743 W CB -0.512 28.947 29.460 -0.002 0.000 1.126 743 W HN -0.042 nan 8.180 nan 0.000 0.535 744 L N 0.596 121.973 121.223 0.256 0.000 2.093 744 L HA 0.049 4.388 4.340 -0.002 0.000 0.208 744 L C 2.285 179.256 176.870 0.168 0.000 1.085 744 L CA 2.475 57.461 54.840 0.244 0.000 0.755 744 L CB -1.372 40.926 42.059 0.400 0.000 0.904 744 L HN 0.002 nan 8.230 nan 0.000 0.435 745 G N -1.275 107.657 108.800 0.220 0.000 2.418 745 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.217 745 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.217 745 G C 1.658 176.589 174.900 0.052 0.000 1.158 745 G CA 0.932 46.125 45.100 0.154 0.000 0.771 745 G HN 0.326 nan 8.290 nan 0.000 0.545 746 V N 1.078 120.996 119.914 0.008 0.000 2.515 746 V HA 0.058 4.177 4.120 -0.002 0.000 0.250 746 V C 3.111 179.184 176.094 -0.036 0.000 1.058 746 V CA 2.204 64.490 62.300 -0.025 0.000 1.064 746 V CB -0.400 31.365 31.823 -0.095 0.000 0.675 746 V HN 0.431 nan 8.190 nan 0.000 0.461 747 A N -0.677 122.076 122.820 -0.111 0.000 1.873 747 A HA -0.246 4.073 4.320 -0.002 0.000 0.215 747 A C 2.247 179.540 177.584 -0.484 0.000 1.186 747 A CA 1.879 53.720 52.037 -0.327 0.000 0.616 747 A CB -0.670 17.991 19.000 -0.565 0.000 0.823 747 A HN 0.663 nan 8.150 nan 0.000 0.442 748 E N 0.012 119.895 120.200 -0.528 0.000 2.085 748 E HA -0.167 4.182 4.350 -0.002 0.000 0.194 748 E C 2.146 178.854 176.600 0.180 0.000 0.994 748 E CA 1.484 57.781 56.400 -0.172 0.000 0.801 748 E CB -0.093 29.615 29.700 0.013 0.000 0.743 748 E HN 0.557 nan 8.360 nan 0.000 0.453 749 S N 0.724 116.531 115.700 0.178 0.000 2.368 749 S HA -0.132 4.337 4.470 -0.002 0.000 0.225 749 S C 1.661 176.412 174.600 0.253 0.000 1.030 749 S CA 1.453 59.853 58.200 0.334 0.000 0.999 749 S CB -0.335 63.040 63.200 0.291 0.000 0.844 749 S HN 0.321 nan 8.310 nan 0.000 0.459 750 N N 0.757 119.533 118.700 0.127 0.000 2.171 750 N HA 0.046 4.785 4.740 -0.002 0.000 0.184 750 N C 1.430 177.046 175.510 0.177 0.000 1.021 750 N CA 0.889 53.974 53.050 0.058 0.000 0.854 750 N CB -0.347 38.089 38.487 -0.085 0.000 0.994 750 N HN 0.386 nan 8.380 nan 0.000 0.426 751 F N 1.187 121.210 119.950 0.121 0.000 2.102 751 F HA -0.236 4.290 4.527 -0.002 0.000 0.298 751 F C 2.645 178.638 175.800 0.321 0.000 1.105 751 F CA 1.574 59.800 58.000 0.376 0.000 1.239 751 F CB -0.264 39.052 39.000 0.527 0.000 0.991 751 F HN 0.248 nan 8.300 nan 0.000 0.474 752 H N 0.179 119.563 119.070 0.523 0.000 2.293 752 H HA -0.171 4.384 4.556 -0.002 0.000 0.300 752 H C 2.039 177.486 175.328 0.198 0.000 1.082 752 H CA 2.216 58.467 56.048 0.339 0.000 1.308 752 H CB -0.440 29.450 29.762 0.213 0.000 1.375 752 H HN 0.410 nan 8.280 nan 0.000 0.495 753 Q N 0.041 119.779 119.800 -0.102 0.000 2.079 753 Q HA -0.060 4.279 4.340 -0.002 0.000 0.200 753 Q C 2.762 178.688 176.000 -0.123 0.000 0.974 753 Q CA 1.510 57.210 55.803 -0.171 0.000 0.840 753 Q CB 0.285 29.013 28.738 -0.017 0.000 0.898 753 Q HN 0.473 nan 8.270 nan 0.000 0.430 754 L N -0.433 120.779 121.223 -0.019 0.000 2.221 754 L HA -0.013 4.326 4.340 -0.002 0.000 0.202 754 L C 2.066 178.861 176.870 -0.124 0.000 1.074 754 L CA 0.553 55.385 54.840 -0.012 0.000 0.795 754 L CB -0.189 42.026 42.059 0.259 0.000 0.960 754 L HN 0.202 nan 8.230 nan 0.000 0.458 755 N N -0.337 118.269 118.700 -0.156 0.000 2.319 755 N HA -0.095 4.644 4.740 -0.002 0.000 0.189 755 N C 1.741 177.077 175.510 -0.290 0.000 1.042 755 N CA 1.825 54.651 53.050 -0.374 0.000 0.879 755 N CB -0.187 37.847 38.487 -0.755 0.000 1.052 755 N HN -0.046 nan 8.380 nan 0.000 0.446 756 T N -0.192 114.220 114.554 -0.237 0.000 2.684 756 T HA -0.151 4.198 4.350 -0.002 0.000 0.267 756 T C 1.598 176.288 174.700 -0.017 0.000 1.036 756 T CA 1.520 63.585 62.100 -0.059 0.000 1.148 756 T CB -0.483 68.467 68.868 0.136 0.000 0.863 756 T HN 0.426 nan 8.240 nan 0.000 0.436 757 H N 0.280 119.216 119.070 -0.222 0.000 2.284 757 H HA 0.187 4.742 4.556 -0.002 0.000 0.314 757 H C 2.322 177.612 175.328 -0.064 0.000 1.058 757 H CA 0.545 56.506 56.048 -0.145 0.000 1.394 757 H CB -0.213 29.362 29.762 -0.311 0.000 1.431 757 H HN 0.173 nan 8.280 nan 0.000 0.537 758 L N 0.420 121.317 121.223 -0.544 0.000 1.976 758 L HA -0.200 4.139 4.340 -0.002 0.000 0.209 758 L C 2.882 179.493 176.870 -0.432 0.000 1.071 758 L CA 1.018 55.424 54.840 -0.723 0.000 0.746 758 L CB -0.416 41.154 42.059 -0.816 0.000 0.890 758 L HN 0.294 nan 8.230 nan 0.000 0.432 759 L N -0.062 120.962 121.223 -0.332 0.000 2.005 759 L HA -0.147 4.192 4.340 -0.002 0.000 0.207 759 L C 2.514 179.301 176.870 -0.139 0.000 1.072 759 L CA 1.767 56.451 54.840 -0.260 0.000 0.744 759 L CB -0.420 41.485 42.059 -0.257 0.000 0.895 759 L HN 0.055 nan 8.230 nan 0.000 0.433 760 R N -1.264 119.174 120.500 -0.104 0.000 2.313 760 R HA 0.036 4.374 4.340 -0.002 0.000 0.199 760 R C 1.347 177.722 176.300 0.125 0.000 0.958 760 R CA 0.913 57.006 56.100 -0.012 0.000 1.047 760 R CB -0.206 30.017 30.300 -0.129 0.000 0.955 760 R HN 0.671 nan 8.270 nan 0.000 0.481 761 T N -3.403 111.211 114.554 0.100 0.000 3.479 761 T HA 0.061 4.410 4.350 -0.002 0.000 0.197 761 T C 1.574 176.316 174.700 0.070 0.000 0.912 761 T CA -0.277 61.911 62.100 0.147 0.000 1.281 761 T CB -0.396 68.621 68.868 0.248 0.000 1.588 761 T HN 0.021 nan 8.240 nan 0.000 0.389 762 H N 1.807 120.850 119.070 -0.045 0.000 2.314 762 H HA -0.103 4.452 4.556 -0.002 0.000 0.288 762 H C 2.334 177.656 175.328 -0.010 0.000 1.091 762 H CA 2.487 58.499 56.048 -0.061 0.000 1.155 762 H CB -0.648 28.969 29.762 -0.242 0.000 1.362 762 H HN 0.263 nan 8.280 nan 0.000 0.530 763 L N 0.384 121.624 121.223 0.028 0.000 2.109 763 L HA -0.118 4.221 4.340 -0.002 0.000 0.207 763 L C 2.982 179.861 176.870 0.015 0.000 1.086 763 L CA 1.586 56.413 54.840 -0.022 0.000 0.760 763 L CB -0.669 41.276 42.059 -0.190 0.000 0.910 763 L HN 0.457 nan 8.230 nan 0.000 0.437 764 T N -3.684 110.874 114.554 0.007 0.000 2.812 764 T HA -0.156 4.193 4.350 -0.002 0.000 0.264 764 T C 1.869 176.895 174.700 0.543 0.000 1.042 764 T CA 1.523 63.700 62.100 0.127 0.000 1.140 764 T CB -0.869 67.940 68.868 -0.098 0.000 0.870 764 T HN 0.430 nan 8.240 nan 0.000 0.445 765 T N -0.017 114.743 114.554 0.344 0.000 2.995 765 T HA 0.037 4.386 4.350 -0.002 0.000 0.269 765 T C 1.829 176.781 174.700 0.420 0.000 1.091 765 T CA 1.121 63.371 62.100 0.250 0.000 1.128 765 T CB -0.460 68.189 68.868 -0.365 0.000 0.891 765 T HN 0.611 nan 8.240 nan 0.000 0.492 766 E N 1.361 121.779 120.200 0.364 0.000 2.160 766 E HA -0.169 4.180 4.350 -0.002 0.000 0.195 766 E C 2.092 178.890 176.600 0.331 0.000 0.991 766 E CA 1.338 57.943 56.400 0.342 0.000 0.810 766 E CB -0.309 29.535 29.700 0.240 0.000 0.742 766 E HN 0.583 nan 8.360 nan 0.000 0.466 767 S N -0.056 115.873 115.700 0.383 0.000 2.370 767 S HA -0.139 4.330 4.470 -0.002 0.000 0.226 767 S C 1.510 176.203 174.600 0.155 0.000 1.033 767 S CA 1.237 59.659 58.200 0.369 0.000 1.011 767 S CB -0.380 63.049 63.200 0.382 0.000 0.852 767 S HN 0.313 nan 8.310 nan 0.000 0.457 768 F N 1.773 121.808 119.950 0.141 0.000 2.186 768 F HA -0.025 4.501 4.527 -0.002 0.000 0.299 768 F C 2.531 178.488 175.800 0.261 0.000 1.090 768 F CA 0.760 58.794 58.000 0.056 0.000 1.307 768 F CB -0.629 38.408 39.000 0.061 0.000 1.019 768 F HN 0.172 nan 8.300 nan 0.000 0.489 769 A N -0.072 123.069 122.820 0.535 0.000 1.877 769 A HA -0.174 4.145 4.320 -0.002 0.000 0.216 769 A C 2.087 179.845 177.584 0.290 0.000 1.186 769 A CA 1.539 53.828 52.037 0.420 0.000 0.620 769 A CB -1.120 18.107 19.000 0.378 0.000 0.822 769 A HN 0.324 nan 8.150 nan 0.000 0.443 770 L N -0.137 121.173 121.223 0.146 0.000 2.012 770 L HA -0.136 4.203 4.340 -0.002 0.000 0.210 770 L C 2.633 179.453 176.870 -0.083 0.000 1.073 770 L CA 2.572 57.373 54.840 -0.064 0.000 0.748 770 L CB -0.742 41.053 42.059 -0.439 0.000 0.891 770 L HN 0.351 nan 8.230 nan 0.000 0.431 771 S N -1.806 113.865 115.700 -0.048 0.000 2.399 771 S HA -0.203 4.266 4.470 -0.002 0.000 0.231 771 S C 1.887 176.666 174.600 0.299 0.000 1.022 771 S CA 1.757 59.979 58.200 0.038 0.000 0.983 771 S CB -0.411 62.663 63.200 -0.209 0.000 0.803 771 S HN 0.683 nan 8.310 nan 0.000 0.480 772 T N 0.194 114.996 114.554 0.413 0.000 2.684 772 T HA -0.131 4.218 4.350 -0.002 0.000 0.267 772 T C 1.192 175.895 174.700 0.005 0.000 1.036 772 T CA 1.633 63.918 62.100 0.309 0.000 1.148 772 T CB -0.477 68.445 68.868 0.090 0.000 0.863 772 T HN 0.639 nan 8.240 nan 0.000 0.436 773 W N 1.504 122.783 121.300 -0.036 0.000 2.402 773 W HA 0.054 4.713 4.660 -0.002 0.000 0.286 773 W C 2.651 179.058 176.519 -0.186 0.000 1.221 773 W CA 0.355 57.524 57.345 -0.293 0.000 1.257 773 W CB -0.136 28.657 29.460 -1.112 0.000 1.120 773 W HN 0.115 nan 8.180 nan 0.000 0.551 774 R N -0.335 120.234 120.500 0.115 0.000 2.115 774 R HA -0.061 4.278 4.340 -0.002 0.000 0.226 774 R C 1.327 177.718 176.300 0.152 0.000 1.100 774 R CA 1.242 57.427 56.100 0.142 0.000 0.980 774 R CB -0.258 30.099 30.300 0.094 0.000 0.875 774 R HN 0.211 nan 8.270 nan 0.000 0.445 775 N N -0.797 118.002 118.700 0.165 0.000 2.266 775 N HA 0.123 4.861 4.740 -0.002 0.000 0.217 775 N C -0.287 175.267 175.510 0.073 0.000 1.211 775 N CA 0.144 53.295 53.050 0.169 0.000 0.881 775 N CB 1.171 39.830 38.487 0.287 0.000 1.153 775 N HN 0.021 nan 8.380 nan 0.000 0.489 776 L N 1.598 122.821 121.223 0.000 0.000 2.272 776 L HA 0.575 4.914 4.340 -0.002 0.000 0.289 776 L C 0.394 177.122 176.870 -0.235 0.000 1.032 776 L CA -0.740 53.997 54.840 -0.172 0.000 0.810 776 L CB 1.582 43.468 42.059 -0.289 0.000 1.205 776 L HN -0.075 nan 8.230 nan 0.000 0.422 777 A N 2.004 124.675 122.820 -0.247 0.000 2.406 777 A HA 0.238 4.557 4.320 -0.002 0.000 0.243 777 A C 1.308 178.467 177.584 -0.708 0.000 1.082 777 A CA 0.238 52.034 52.037 -0.401 0.000 0.786 777 A CB 0.445 19.239 19.000 -0.344 0.000 1.029 777 A HN 0.902 nan 8.150 nan 0.000 0.495 778 S N 0.650 115.836 115.700 -0.858 0.000 2.419 778 S HA -0.056 4.413 4.470 -0.002 0.000 0.233 778 S C 1.574 175.831 174.600 -0.572 0.000 1.016 778 S CA 1.243 58.835 58.200 -1.013 0.000 0.974 778 S CB -0.446 62.398 63.200 -0.594 0.000 0.786 778 S HN 1.339 nan 8.310 nan 0.000 0.492 779 A N 0.540 123.012 122.820 -0.580 0.000 2.208 779 A HA 0.200 4.519 4.320 -0.002 0.000 0.209 779 A C 0.837 178.177 177.584 -0.407 0.000 1.161 779 A CA 0.037 51.789 52.037 -0.476 0.000 0.782 779 A CB -0.775 17.840 19.000 -0.642 0.000 0.816 779 A HN 0.708 nan 8.150 nan 0.000 0.477 780 H N 0.721 119.520 119.070 -0.450 0.000 2.803 780 H HA 0.176 4.731 4.556 -0.002 0.000 0.330 780 H C -1.277 173.763 175.328 -0.479 0.000 1.057 780 H CA -1.213 54.585 56.048 -0.417 0.000 1.458 780 H CB 1.220 30.791 29.762 -0.317 0.000 1.470 780 H HN 0.047 nan 8.280 nan 0.000 0.560 781 P HA -0.232 nan 4.420 nan 0.000 0.217 781 P C 1.139 178.280 177.300 -0.265 0.000 1.148 781 P CA 1.203 63.885 63.100 -0.697 0.000 0.828 781 P CB 0.352 31.215 31.700 -1.396 0.000 0.783 782 I N -1.827 118.789 120.570 0.077 0.000 2.500 782 I HA -0.100 4.068 4.170 -0.002 0.000 0.252 782 I C 2.425 178.365 176.117 -0.295 0.000 1.142 782 I CA 0.470 61.695 61.300 -0.125 0.000 1.451 782 I CB -1.684 36.157 38.000 -0.264 0.000 1.093 782 I HN -0.137 nan 8.210 nan 0.000 0.430 783 F N 2.593 122.295 119.950 -0.414 0.000 2.069 783 F HA -0.269 4.257 4.527 -0.002 0.000 0.298 783 F C 2.526 178.030 175.800 -0.492 0.000 1.113 783 F CA 1.967 59.679 58.000 -0.479 0.000 1.214 783 F CB -0.093 38.625 39.000 -0.471 0.000 0.978 783 F HN -0.064 nan 8.300 nan 0.000 0.474 784 K N -0.107 120.016 120.400 -0.462 0.000 2.026 784 K HA -0.199 4.120 4.320 -0.002 0.000 0.208 784 K C 1.967 178.172 176.600 -0.659 0.000 1.048 784 K CA 1.643 57.433 56.287 -0.828 0.000 0.929 784 K CB -0.719 30.787 32.500 -1.657 0.000 0.713 784 K HN 0.285 nan 8.250 nan 0.000 0.439 785 L N 1.440 122.500 121.223 -0.272 0.000 2.012 785 L HA -0.184 4.155 4.340 -0.002 0.000 0.210 785 L C 1.909 178.767 176.870 -0.021 0.000 1.073 785 L CA 1.671 56.589 54.840 0.130 0.000 0.748 785 L CB -0.213 41.928 42.059 0.138 0.000 0.891 785 L HN 0.135 nan 8.230 nan 0.000 0.431 786 L N -1.444 119.658 121.223 -0.202 0.000 2.270 786 L HA -0.083 4.256 4.340 -0.002 0.000 0.210 786 L C 2.517 179.213 176.870 -0.290 0.000 1.104 786 L CA 0.796 55.546 54.840 -0.150 0.000 0.804 786 L CB -0.444 41.487 42.059 -0.213 0.000 0.937 786 L HN 0.429 nan 8.230 nan 0.000 0.450 787 Q N 1.012 120.477 119.800 -0.559 0.000 2.082 787 Q HA -0.227 4.112 4.340 -0.002 0.000 0.211 787 Q C -0.724 175.118 176.000 -0.263 0.000 1.002 787 Q CA 2.524 58.003 55.803 -0.541 0.000 0.868 787 Q CB -0.690 27.681 28.738 -0.611 0.000 0.931 787 Q HN 0.307 nan 8.270 nan 0.000 0.414 788 P HA -0.118 nan 4.420 nan 0.000 0.233 788 P C 0.258 177.390 177.300 -0.280 0.000 1.167 788 P CA 1.229 64.191 63.100 -0.229 0.000 0.770 788 P CB 0.027 31.587 31.700 -0.233 0.000 0.837 789 H N -0.232 118.813 119.070 -0.043 0.000 2.553 789 H HA 0.171 4.726 4.556 -0.002 0.000 0.276 789 H C 2.011 176.960 175.328 -0.631 0.000 0.979 789 H CA 0.726 56.691 56.048 -0.140 0.000 1.268 789 H CB 0.087 29.869 29.762 0.034 0.000 1.450 789 H HN 0.261 nan 8.280 nan 0.000 0.527 790 I N -2.207 118.084 120.570 -0.464 0.000 3.419 790 I HA 0.034 4.203 4.170 -0.002 0.000 0.286 790 I C 0.795 176.782 176.117 -0.217 0.000 1.268 790 I CA -0.181 60.736 61.300 -0.639 0.000 1.414 790 I CB -0.333 37.534 38.000 -0.222 0.000 1.074 790 I HN -0.172 nan 8.210 nan 0.000 0.457 791 Y N 3.335 123.546 120.300 -0.149 0.000 2.597 791 Y HA 0.401 4.950 4.550 -0.002 0.000 0.336 791 Y C 1.324 177.259 175.900 0.057 0.000 1.216 791 Y CA 0.991 59.107 58.100 0.028 0.000 1.463 791 Y CB 0.765 39.255 38.460 0.050 0.000 1.303 791 Y HN 0.395 nan 8.280 nan 0.000 0.576 792 G N 3.108 111.312 108.800 -0.993 0.000 2.399 792 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.216 792 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.216 792 G C 0.856 175.668 174.900 -0.147 0.000 1.096 792 G CA 0.349 45.137 45.100 -0.521 0.000 0.650 792 G HN 0.959 nan 8.290 nan 0.000 0.512 793 V N 1.903 121.772 119.914 -0.076 0.000 2.548 793 V HA 0.162 4.281 4.120 -0.002 0.000 0.249 793 V C 2.756 178.899 176.094 0.081 0.000 1.055 793 V CA 2.580 64.918 62.300 0.064 0.000 1.065 793 V CB -0.212 31.729 31.823 0.196 0.000 0.681 793 V HN 0.496 nan 8.190 nan 0.000 0.462 794 L N 0.004 121.246 121.223 0.031 0.000 2.056 794 L HA -0.071 4.268 4.340 -0.002 0.000 0.207 794 L C 2.746 179.570 176.870 -0.077 0.000 1.078 794 L CA 1.617 56.462 54.840 0.009 0.000 0.749 794 L CB -0.825 41.240 42.059 0.011 0.000 0.901 794 L HN 0.397 nan 8.230 nan 0.000 0.433 795 A N 0.035 122.758 122.820 -0.162 0.000 1.855 795 A HA -0.206 4.113 4.320 -0.002 0.000 0.215 795 A C 2.210 179.522 177.584 -0.453 0.000 1.191 795 A CA 1.640 53.485 52.037 -0.319 0.000 0.613 795 A CB -0.632 18.081 19.000 -0.477 0.000 0.829 795 A HN 0.295 nan 8.150 nan 0.000 0.442 796 I N 0.270 120.635 120.570 -0.341 0.000 2.315 796 I HA -0.170 3.998 4.170 -0.002 0.000 0.248 796 I C 1.265 177.351 176.117 -0.052 0.000 1.117 796 I CA 1.828 63.008 61.300 -0.199 0.000 1.404 796 I CB -0.362 37.762 38.000 0.206 0.000 1.071 796 I HN 0.238 nan 8.210 nan 0.000 0.419 797 D N -0.372 120.091 120.400 0.104 0.000 2.183 797 D HA -0.108 4.531 4.640 -0.002 0.000 0.203 797 D C 2.200 178.485 176.300 -0.026 0.000 0.969 797 D CA 1.513 55.656 54.000 0.238 0.000 0.842 797 D CB -0.291 40.695 40.800 0.311 0.000 0.957 797 D HN 0.303 nan 8.370 nan 0.000 0.484 798 T N 0.779 115.275 114.554 -0.097 0.000 2.746 798 T HA -0.060 4.289 4.350 -0.002 0.000 0.267 798 T C 2.170 176.732 174.700 -0.231 0.000 1.039 798 T CA 0.587 62.601 62.100 -0.144 0.000 1.142 798 T CB -0.147 68.641 68.868 -0.132 0.000 0.866 798 T HN 0.153 nan 8.240 nan 0.000 0.444 799 I N 1.138 121.526 120.570 -0.303 0.000 2.179 799 I HA -0.099 4.070 4.170 -0.002 0.000 0.242 799 I C 2.928 178.753 176.117 -0.486 0.000 1.088 799 I CA 1.314 62.388 61.300 -0.376 0.000 1.357 799 I CB -0.758 36.907 38.000 -0.558 0.000 1.051 799 I HN 0.310 nan 8.210 nan 0.000 0.409 800 G N 0.566 108.939 108.800 -0.712 0.000 2.442 800 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.219 800 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.219 800 G C 1.806 175.738 174.900 -1.613 0.000 1.141 800 G CA 0.449 44.645 45.100 -1.506 0.000 0.763 800 G HN 0.292 nan 8.290 nan 0.000 0.554 801 R N 0.303 120.214 120.500 -0.982 0.000 2.120 801 R HA -0.005 4.334 4.340 -0.002 0.000 0.234 801 R C 2.965 179.038 176.300 -0.378 0.000 1.123 801 R CA 1.764 57.533 56.100 -0.552 0.000 0.975 801 R CB -0.131 30.055 30.300 -0.189 0.000 0.866 801 R HN 0.470 nan 8.270 nan 0.000 0.446 802 K N 0.736 120.932 120.400 -0.340 0.000 2.242 802 K HA 0.024 4.343 4.320 -0.002 0.000 0.200 802 K C 1.407 177.896 176.600 -0.185 0.000 1.050 802 K CA 0.969 57.134 56.287 -0.204 0.000 0.981 802 K CB 0.200 32.614 32.500 -0.144 0.000 0.795 802 K HN 0.293 nan 8.250 nan 0.000 0.477 803 E N -1.282 118.773 120.200 -0.241 0.000 2.606 803 E HA 0.331 4.680 4.350 -0.002 0.000 0.224 803 E C 1.250 177.779 176.600 -0.119 0.000 0.930 803 E CA 0.038 56.363 56.400 -0.125 0.000 1.125 803 E CB 0.620 30.304 29.700 -0.027 0.000 1.123 803 E HN 0.346 nan 8.360 nan 0.000 0.522 804 L N -1.105 119.959 121.223 -0.265 0.000 2.675 804 L HA 0.195 4.534 4.340 -0.002 0.000 0.178 804 L C 1.535 178.417 176.870 0.020 0.000 1.135 804 L CA 0.210 54.978 54.840 -0.120 0.000 0.855 804 L CB -0.025 41.953 42.059 -0.136 0.000 1.235 804 L HN 0.235 nan 8.230 nan 0.000 0.499 805 W N 0.216 121.519 121.300 0.005 0.000 2.870 805 W HA 0.571 5.230 4.660 -0.002 0.000 0.358 805 W C 0.690 177.302 176.519 0.155 0.000 1.043 805 W CA -0.385 56.990 57.345 0.050 0.000 1.692 805 W CB -0.931 28.558 29.460 0.047 0.000 1.100 805 W HN -0.091 nan 8.180 nan 0.000 0.557 806 G N 1.190 109.954 108.800 -0.060 0.000 2.621 806 G HA2 0.268 4.227 3.960 -0.002 0.000 0.271 806 G HA3 0.268 4.227 3.960 -0.002 0.000 0.271 806 G C -0.170 174.782 174.900 0.087 0.000 1.236 806 G CA -0.277 44.835 45.100 0.020 0.000 0.958 806 G HN 0.106 nan 8.290 nan 0.000 0.512 807 S N -1.011 114.738 115.700 0.082 0.000 2.537 807 S HA 0.406 4.875 4.470 -0.002 0.000 0.286 807 S C 1.602 176.232 174.600 0.050 0.000 1.299 807 S CA 1.040 59.300 58.200 0.100 0.000 1.067 807 S CB 0.000 63.251 63.200 0.084 0.000 0.864 807 S HN 2.257 nan 8.310 nan 0.000 0.494 808 G N 3.399 112.231 108.800 0.054 0.000 2.234 808 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.260 808 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.260 808 G C 0.687 175.586 174.900 -0.001 0.000 0.987 808 G CA 0.229 45.345 45.100 0.026 0.000 0.625 808 G HN 1.369 nan 8.290 nan 0.000 0.532 809 G N -0.424 108.372 108.800 -0.008 0.000 2.732 809 G HA2 0.416 4.375 3.960 -0.002 0.000 0.244 809 G HA3 0.416 4.375 3.960 -0.002 0.000 0.244 809 G C 1.215 176.103 174.900 -0.019 0.000 1.226 809 G CA 0.232 45.320 45.100 -0.019 0.000 0.860 809 G HN 0.863 nan 8.290 nan 0.000 0.583 810 I N 0.652 121.218 120.570 -0.006 0.000 2.286 810 I HA -0.167 4.002 4.170 -0.002 0.000 0.248 810 I C 2.581 178.680 176.117 -0.030 0.000 1.115 810 I CA 1.166 62.459 61.300 -0.013 0.000 1.392 810 I CB 0.051 38.060 38.000 0.015 0.000 1.065 810 I HN 0.236 nan 8.210 nan 0.000 0.418 811 V N 0.592 120.508 119.914 0.003 0.000 2.307 811 V HA -0.309 3.810 4.120 -0.002 0.000 0.245 811 V C 2.206 178.245 176.094 -0.091 0.000 1.045 811 V CA 2.147 64.441 62.300 -0.010 0.000 1.024 811 V CB -0.840 31.040 31.823 0.095 0.000 0.651 811 V HN 0.509 nan 8.190 nan 0.000 0.449 812 D N 0.256 120.583 120.400 -0.121 0.000 2.269 812 D HA -0.303 4.336 4.640 -0.002 0.000 0.191 812 D C 2.186 178.383 176.300 -0.171 0.000 1.007 812 D CA 2.201 56.067 54.000 -0.224 0.000 0.855 812 D CB -0.251 40.464 40.800 -0.140 0.000 0.979 812 D HN 0.524 nan 8.370 nan 0.000 0.452 813 Q N -0.991 118.726 119.800 -0.138 0.000 2.443 813 Q HA -0.075 4.264 4.340 -0.002 0.000 0.213 813 Q C 1.619 177.504 176.000 -0.192 0.000 0.982 813 Q CA 1.304 56.998 55.803 -0.181 0.000 0.894 813 Q CB -0.021 28.636 28.738 -0.135 0.000 0.947 813 Q HN 0.372 nan 8.270 nan 0.000 0.480 814 S N -1.396 114.208 115.700 -0.160 0.000 2.559 814 S HA 0.209 4.678 4.470 -0.002 0.000 0.226 814 S C 0.097 174.601 174.600 -0.161 0.000 1.000 814 S CA -0.435 57.669 58.200 -0.161 0.000 0.948 814 S CB 0.503 63.614 63.200 -0.149 0.000 0.870 814 S HN -0.009 nan 8.310 nan 0.000 0.497 815 L N 1.881 123.014 121.223 -0.149 0.000 2.334 815 L HA 0.592 4.931 4.340 -0.002 0.000 0.276 815 L C 1.371 178.185 176.870 -0.094 0.000 1.014 815 L CA -0.153 54.617 54.840 -0.115 0.000 0.815 815 L CB 1.265 43.267 42.059 -0.095 0.000 1.268 815 L HN 0.088 nan 8.230 nan 0.000 0.428 816 S N 2.322 117.983 115.700 -0.066 0.000 2.380 816 S HA -0.162 4.307 4.470 -0.002 0.000 0.229 816 S C 1.431 176.039 174.600 0.014 0.000 1.043 816 S CA 1.453 59.636 58.200 -0.029 0.000 1.038 816 S CB -0.182 63.021 63.200 0.005 0.000 0.872 816 S HN 0.444 nan 8.310 nan 0.000 0.456 817 L N 1.319 122.547 121.223 0.007 0.000 2.599 817 L HA 0.255 4.594 4.340 -0.002 0.000 0.230 817 L C 1.366 178.301 176.870 0.110 0.000 1.141 817 L CA -0.025 54.850 54.840 0.058 0.000 0.877 817 L CB -1.413 40.663 42.059 0.028 0.000 1.009 817 L HN 0.171 nan 8.230 nan 0.000 0.447 818 G N -1.567 107.250 108.800 0.027 0.000 2.594 818 G HA2 0.395 4.354 3.960 -0.002 0.000 0.243 818 G HA3 0.395 4.354 3.960 -0.002 0.000 0.243 818 G C 0.990 176.028 174.900 0.230 0.000 1.229 818 G CA 0.291 45.359 45.100 -0.052 0.000 0.843 818 G HN 0.423 nan 8.290 nan 0.000 0.578 819 G N -1.321 107.612 108.800 0.222 0.000 2.211 819 G HA2 0.271 4.230 3.960 -0.002 0.000 0.201 819 G HA3 0.271 4.230 3.960 -0.002 0.000 0.201 819 G C 1.187 176.197 174.900 0.183 0.000 0.997 819 G CA 0.901 46.123 45.100 0.203 0.000 0.652 819 G HN 2.501 nan 8.290 nan 0.000 0.500 820 G N -1.122 107.914 108.800 0.393 0.000 2.545 820 G HA2 0.199 4.158 3.960 -0.002 0.000 0.195 820 G HA3 0.199 4.158 3.960 -0.002 0.000 0.195 820 G C 1.726 176.722 174.900 0.160 0.000 1.009 820 G CA 1.179 46.422 45.100 0.239 0.000 0.703 820 G HN 1.739 nan 8.290 nan 0.000 0.479 821 G N 1.017 109.942 108.800 0.208 0.000 2.509 821 G HA2 0.040 3.999 3.960 -0.002 0.000 0.218 821 G HA3 0.040 3.999 3.960 -0.002 0.000 0.218 821 G C 1.447 176.469 174.900 0.204 0.000 1.124 821 G CA 1.930 47.124 45.100 0.157 0.000 0.776 821 G HN 0.909 nan 8.290 nan 0.000 0.547 822 H N 0.197 119.336 119.070 0.116 0.000 2.389 822 H HA 0.012 4.567 4.556 -0.002 0.000 0.299 822 H C 2.252 177.677 175.328 0.162 0.000 1.081 822 H CA 1.247 57.385 56.048 0.150 0.000 1.345 822 H CB -0.958 28.870 29.762 0.111 0.000 1.393 822 H HN 0.191 nan 8.280 nan 0.000 0.520 823 V N 1.629 121.265 119.914 -0.463 0.000 2.307 823 V HA -0.221 3.898 4.120 -0.002 0.000 0.245 823 V C 2.675 178.720 176.094 -0.080 0.000 1.045 823 V CA 2.245 64.368 62.300 -0.295 0.000 1.024 823 V CB -0.931 30.701 31.823 -0.319 0.000 0.651 823 V HN 0.469 nan 8.190 nan 0.000 0.449 824 T N 0.416 114.961 114.554 -0.015 0.000 2.759 824 T HA -0.227 4.122 4.350 -0.002 0.000 0.269 824 T C 1.687 176.441 174.700 0.090 0.000 1.042 824 T CA 2.066 64.191 62.100 0.042 0.000 1.140 824 T CB -0.417 68.492 68.868 0.069 0.000 0.864 824 T HN 0.450 nan 8.240 nan 0.000 0.455 825 F N 1.432 121.374 119.950 -0.013 0.000 2.146 825 F HA 0.102 4.627 4.527 -0.002 0.000 0.298 825 F C 2.182 177.964 175.800 -0.030 0.000 1.096 825 F CA 1.019 59.021 58.000 0.003 0.000 1.275 825 F CB -0.442 38.579 39.000 0.035 0.000 1.008 825 F HN 0.044 nan 8.300 nan 0.000 0.480 826 M N -0.087 119.420 119.600 -0.155 0.000 2.229 826 M HA -0.183 4.296 4.480 -0.002 0.000 0.264 826 M C 2.020 178.190 176.300 -0.217 0.000 1.063 826 M CA 1.644 56.768 55.300 -0.293 0.000 1.114 826 M CB -0.537 31.951 32.600 -0.187 0.000 1.387 826 M HN 0.196 nan 8.290 nan 0.000 0.420 827 E N 0.422 120.551 120.200 -0.119 0.000 2.058 827 E HA -0.244 4.105 4.350 -0.002 0.000 0.194 827 E C 1.996 178.545 176.600 -0.086 0.000 0.997 827 E CA 1.279 57.655 56.400 -0.040 0.000 0.801 827 E CB -0.168 29.528 29.700 -0.007 0.000 0.746 827 E HN 0.398 nan 8.360 nan 0.000 0.450 828 K N 0.693 121.011 120.400 -0.137 0.000 2.032 828 K HA -0.181 4.137 4.320 -0.002 0.000 0.209 828 K C 2.171 178.625 176.600 -0.242 0.000 1.048 828 K CA 1.683 57.875 56.287 -0.159 0.000 0.927 828 K CB -0.179 32.274 32.500 -0.078 0.000 0.712 828 K HN 0.188 nan 8.250 nan 0.000 0.441 829 C N 0.385 119.450 119.300 -0.392 0.000 2.425 829 C HA -0.089 4.370 4.460 -0.002 0.000 0.277 829 C C 2.406 177.256 174.990 -0.233 0.000 1.280 829 C CA 0.290 59.081 59.018 -0.379 0.000 1.744 829 C CB -1.128 26.258 27.740 -0.589 0.000 1.989 829 C HN 0.562 nan 8.230 nan 0.000 0.491 830 F N 2.235 121.987 119.950 -0.329 0.000 2.216 830 F HA -0.102 4.424 4.527 -0.002 0.000 0.300 830 F C 2.191 177.864 175.800 -0.211 0.000 1.085 830 F CA 1.478 59.299 58.000 -0.299 0.000 1.326 830 F CB -0.535 38.295 39.000 -0.284 0.000 1.027 830 F HN 0.174 nan 8.300 nan 0.000 0.497 831 K N -0.139 119.992 120.400 -0.449 0.000 2.218 831 K HA -0.181 4.138 4.320 -0.002 0.000 0.205 831 K C 1.496 177.915 176.600 -0.301 0.000 1.046 831 K CA 1.550 57.490 56.287 -0.579 0.000 0.933 831 K CB -0.169 32.008 32.500 -0.539 0.000 0.728 831 K HN 0.321 nan 8.250 nan 0.000 0.454 832 E N 0.328 120.387 120.200 -0.234 0.000 2.472 832 E HA 0.025 4.374 4.350 -0.002 0.000 0.196 832 E C 0.236 176.782 176.600 -0.089 0.000 1.033 832 E CA 0.059 56.376 56.400 -0.138 0.000 0.886 832 E CB 0.143 29.782 29.700 -0.102 0.000 0.944 832 E HN -0.035 nan 8.360 nan 0.000 0.492 833 V N 2.734 122.551 119.914 -0.162 0.000 2.617 833 V HA -0.071 4.048 4.120 -0.002 0.000 0.304 833 V C 0.279 176.446 176.094 0.122 0.000 1.040 833 V CA 0.445 62.690 62.300 -0.093 0.000 1.149 833 V CB -0.084 31.550 31.823 -0.314 0.000 0.914 833 V HN 0.144 nan 8.190 nan 0.000 0.487 834 N N 2.703 121.534 118.700 0.219 0.000 2.258 834 N HA 0.385 5.124 4.740 -0.002 0.000 0.299 834 N C 0.399 176.226 175.510 0.529 0.000 1.047 834 N CA -0.829 52.417 53.050 0.327 0.000 0.814 834 N CB 1.445 40.052 38.487 0.200 0.000 1.413 834 N HN 0.469 nan 8.380 nan 0.000 0.478 835 L N 2.100 123.684 121.223 0.603 0.000 2.189 835 L HA -0.111 4.228 4.340 -0.002 0.000 0.214 835 L C 1.790 178.968 176.870 0.514 0.000 1.097 835 L CA 1.800 56.984 54.840 0.574 0.000 0.764 835 L CB -0.467 41.780 42.059 0.313 0.000 0.900 835 L HN 0.724 nan 8.230 nan 0.000 0.436 836 Q N -0.397 119.623 119.800 0.366 0.000 2.291 836 Q HA -0.175 4.164 4.340 -0.002 0.000 0.206 836 Q C 1.654 177.827 176.000 0.289 0.000 0.976 836 Q CA 1.317 57.288 55.803 0.280 0.000 0.875 836 Q CB -0.331 28.499 28.738 0.154 0.000 0.927 836 Q HN 0.613 nan 8.270 nan 0.000 0.450 837 D N -0.670 119.918 120.400 0.312 0.000 2.263 837 D HA -0.160 4.479 4.640 -0.002 0.000 0.208 837 D C 0.974 177.344 176.300 0.116 0.000 0.971 837 D CA 0.925 55.017 54.000 0.154 0.000 0.867 837 D CB -0.197 40.620 40.800 0.028 0.000 0.929 837 D HN 0.382 nan 8.370 nan 0.000 0.492 838 Y N -0.790 119.647 120.300 0.229 0.000 2.466 838 Y HA 0.086 4.635 4.550 -0.002 0.000 0.272 838 Y C 0.609 176.653 175.900 0.239 0.000 1.169 838 Y CA -0.174 58.084 58.100 0.263 0.000 1.285 838 Y CB -0.359 38.278 38.460 0.296 0.000 1.078 838 Y HN 0.014 nan 8.280 nan 0.000 0.523 839 H N 0.663 119.831 119.070 0.163 0.000 2.820 839 H HA 0.162 4.717 4.556 -0.002 0.000 0.278 839 H C 1.155 176.149 175.328 -0.557 0.000 1.142 839 H CA -0.398 55.552 56.048 -0.162 0.000 1.346 839 H CB 0.599 30.345 29.762 -0.027 0.000 1.438 839 H HN 0.188 nan 8.280 nan 0.000 0.473 840 L N 7.191 127.764 121.223 -1.082 0.000 2.017 840 L HA 0.018 4.357 4.340 -0.002 0.000 0.208 840 L C -1.004 175.508 176.870 -0.596 0.000 1.073 840 L CA 1.533 55.914 54.840 -0.765 0.000 0.745 840 L CB -0.641 40.842 42.059 -0.960 0.000 0.894 840 L HN 0.599 nan 8.230 nan 0.000 0.432 841 P HA -0.113 nan 4.420 nan 0.000 0.216 841 P C 1.003 178.212 177.300 -0.153 0.000 1.153 841 P CA 1.771 64.644 63.100 -0.377 0.000 0.848 841 P CB -0.195 31.297 31.700 -0.346 0.000 0.787 842 N N -0.629 118.052 118.700 -0.030 0.000 2.142 842 N HA -0.115 4.624 4.740 -0.002 0.000 0.186 842 N C 1.739 177.208 175.510 -0.069 0.000 1.023 842 N CA 0.933 53.903 53.050 -0.134 0.000 0.852 842 N CB -0.367 37.912 38.487 -0.347 0.000 0.998 842 N HN 0.056 nan 8.380 nan 0.000 0.424 843 A N 1.349 124.142 122.820 -0.045 0.000 1.897 843 A HA -0.032 4.287 4.320 -0.002 0.000 0.215 843 A C 2.146 179.737 177.584 0.011 0.000 1.181 843 A CA 0.814 52.850 52.037 -0.003 0.000 0.620 843 A CB -0.633 18.378 19.000 0.018 0.000 0.821 843 A HN 0.137 nan 8.150 nan 0.000 0.443 844 L N -0.489 120.721 121.223 -0.021 0.000 2.046 844 L HA -0.220 4.119 4.340 -0.002 0.000 0.208 844 L C 2.639 179.526 176.870 0.030 0.000 1.077 844 L CA 2.028 56.880 54.840 0.019 0.000 0.747 844 L CB -0.499 41.530 42.059 -0.049 0.000 0.896 844 L HN 0.487 nan 8.230 nan 0.000 0.432 845 K N 0.917 121.310 120.400 -0.012 0.000 2.057 845 K HA -0.248 4.070 4.320 -0.002 0.000 0.207 845 K C 2.267 178.875 176.600 0.012 0.000 1.049 845 K CA 1.591 57.876 56.287 -0.003 0.000 0.931 845 K CB -0.022 32.460 32.500 -0.031 0.000 0.714 845 K HN 0.094 nan 8.250 nan 0.000 0.440 846 K N 0.615 121.019 120.400 0.006 0.000 2.057 846 K HA -0.152 4.167 4.320 -0.002 0.000 0.207 846 K C 1.957 178.578 176.600 0.035 0.000 1.049 846 K CA 1.460 57.755 56.287 0.014 0.000 0.931 846 K CB 0.025 32.531 32.500 0.010 0.000 0.714 846 K HN 0.109 nan 8.250 nan 0.000 0.440 847 R N -0.786 119.749 120.500 0.058 0.000 2.280 847 R HA 0.005 4.344 4.340 -0.002 0.000 0.207 847 R C 0.861 177.225 176.300 0.106 0.000 1.043 847 R CA 0.620 56.770 56.100 0.083 0.000 1.006 847 R CB 0.054 30.423 30.300 0.116 0.000 0.885 847 R HN 0.520 nan 8.270 nan 0.000 0.467 848 G N 0.882 109.739 108.800 0.096 0.000 2.198 848 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.257 848 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.257 848 G C 0.458 175.489 174.900 0.219 0.000 1.042 848 G CA 0.394 45.562 45.100 0.113 0.000 0.791 848 G HN 0.352 nan 8.290 nan 0.000 0.502 849 V N -2.331 117.712 119.914 0.214 0.000 3.276 849 V HA 0.407 4.526 4.120 -0.002 0.000 0.319 849 V C 1.190 177.422 176.094 0.229 0.000 1.427 849 V CA 0.963 63.418 62.300 0.258 0.000 1.102 849 V CB 0.711 32.706 31.823 0.286 0.000 1.020 849 V HN 0.324 nan 8.190 nan 0.000 0.456 850 D N -0.657 119.824 120.400 0.134 0.000 2.340 850 D HA 0.044 4.683 4.640 -0.002 0.000 0.217 850 D C 0.260 176.590 176.300 0.052 0.000 1.081 850 D CA 0.057 54.094 54.000 0.062 0.000 0.842 850 D CB 0.119 40.921 40.800 0.004 0.000 0.934 850 D HN 0.485 nan 8.370 nan 0.000 0.511 851 D N 1.514 121.964 120.400 0.083 0.000 2.412 851 D HA 0.134 4.773 4.640 -0.002 0.000 0.224 851 D C -1.615 174.726 176.300 0.068 0.000 1.093 851 D CA -2.180 51.859 54.000 0.066 0.000 0.850 851 D CB 2.061 42.902 40.800 0.069 0.000 1.046 851 D HN -0.074 nan 8.370 nan 0.000 0.507 852 P HA -0.095 nan 4.420 nan 0.000 0.229 852 P C 1.105 178.431 177.300 0.043 0.000 1.160 852 P CA 0.494 63.618 63.100 0.040 0.000 0.777 852 P CB 0.232 31.948 31.700 0.028 0.000 0.814 853 S N -0.077 115.655 115.700 0.053 0.000 2.406 853 S HA -0.023 4.446 4.470 -0.002 0.000 0.228 853 S C 1.900 176.563 174.600 0.104 0.000 1.020 853 S CA 0.719 58.957 58.200 0.064 0.000 0.965 853 S CB -0.626 62.608 63.200 0.056 0.000 0.798 853 S HN 0.154 nan 8.310 nan 0.000 0.488 854 K N -0.181 120.289 120.400 0.117 0.000 2.242 854 K HA 0.329 4.648 4.320 -0.002 0.000 0.200 854 K C -0.199 176.519 176.600 0.198 0.000 1.050 854 K CA 0.213 56.618 56.287 0.197 0.000 0.981 854 K CB 0.134 32.725 32.500 0.151 0.000 0.795 854 K HN 0.283 nan 8.250 nan 0.000 0.477 855 L N 2.593 123.860 121.223 0.073 0.000 2.433 855 L HA 0.368 4.707 4.340 -0.002 0.000 0.256 855 L C -2.922 173.901 176.870 -0.078 0.000 1.063 855 L CA -2.364 52.419 54.840 -0.096 0.000 0.922 855 L CB 1.129 43.017 42.059 -0.286 0.000 1.238 855 L HN -0.161 nan 8.230 nan 0.000 0.466 856 P HA 0.437 nan 4.420 nan 0.000 0.280 856 P C 0.333 177.550 177.300 -0.138 0.000 1.272 856 P CA 0.084 63.147 63.100 -0.062 0.000 0.819 856 P CB 1.033 32.714 31.700 -0.031 0.000 1.122 857 G N -0.322 108.375 108.800 -0.172 0.000 2.246 857 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.273 857 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.273 857 G C -0.497 173.897 174.900 -0.844 0.000 1.055 857 G CA -0.291 44.543 45.100 -0.445 0.000 0.851 857 G HN 0.498 nan 8.290 nan 0.000 0.500 858 F N 1.402 120.850 119.950 -0.837 0.000 2.310 858 F HA 0.612 5.138 4.527 -0.002 0.000 0.365 858 F C 0.876 176.311 175.800 -0.608 0.000 1.080 858 F CA -2.777 54.828 58.000 -0.658 0.000 1.187 858 F CB 0.092 38.877 39.000 -0.358 0.000 1.465 858 F HN 0.176 nan 8.300 nan 0.000 0.496 859 Y N 3.076 123.295 120.300 -0.135 0.000 2.420 859 Y HA -0.186 4.363 4.550 -0.002 0.000 0.292 859 Y C 2.080 177.676 175.900 -0.506 0.000 1.119 859 Y CA 0.916 58.807 58.100 -0.347 0.000 1.229 859 Y CB -0.450 37.769 38.460 -0.402 0.000 1.026 859 Y HN 0.580 nan 8.280 nan 0.000 0.554 860 Y N 1.984 121.892 120.300 -0.654 0.000 2.128 860 Y HA -0.321 4.228 4.550 -0.002 0.000 0.284 860 Y C 2.678 178.362 175.900 -0.361 0.000 1.154 860 Y CA 1.882 59.804 58.100 -0.297 0.000 1.149 860 Y CB -0.451 37.971 38.460 -0.064 0.000 0.976 860 Y HN 0.004 nan 8.280 nan 0.000 0.505 861 R N 0.288 120.181 120.500 -1.011 0.000 2.080 861 R HA -0.183 4.156 4.340 -0.002 0.000 0.236 861 R C 1.767 177.767 176.300 -0.500 0.000 1.137 861 R CA 2.269 57.763 56.100 -1.011 0.000 0.943 861 R CB -0.542 28.959 30.300 -1.332 0.000 0.846 861 R HN 0.363 nan 8.270 nan 0.000 0.431 862 D N 0.552 120.764 120.400 -0.314 0.000 2.097 862 D HA -0.140 4.498 4.640 -0.002 0.000 0.195 862 D C 1.580 177.857 176.300 -0.038 0.000 0.989 862 D CA 1.381 55.315 54.000 -0.110 0.000 0.827 862 D CB -0.449 40.359 40.800 0.013 0.000 0.966 862 D HN 0.322 nan 8.370 nan 0.000 0.456 863 D N 0.033 120.440 120.400 0.013 0.000 2.123 863 D HA -0.037 4.602 4.640 -0.002 0.000 0.200 863 D C 2.201 178.569 176.300 0.113 0.000 0.976 863 D CA 1.206 55.273 54.000 0.111 0.000 0.831 863 D CB -0.680 40.266 40.800 0.243 0.000 0.974 863 D HN 0.245 nan 8.370 nan 0.000 0.469 864 G N 0.840 109.651 108.800 0.018 0.000 2.446 864 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.217 864 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.217 864 G C 1.728 176.692 174.900 0.107 0.000 1.168 864 G CA 0.373 45.540 45.100 0.113 0.000 0.771 864 G HN 0.249 nan 8.290 nan 0.000 0.551 865 L N 0.547 121.731 121.223 -0.065 0.000 2.093 865 L HA -0.008 4.331 4.340 -0.002 0.000 0.208 865 L C 3.417 180.348 176.870 0.103 0.000 1.085 865 L CA 0.839 55.656 54.840 -0.038 0.000 0.755 865 L CB -0.374 41.618 42.059 -0.113 0.000 0.904 865 L HN 0.316 nan 8.230 nan 0.000 0.435 866 A N 0.242 123.121 122.820 0.099 0.000 1.883 866 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 866 A C 2.223 179.921 177.584 0.189 0.000 1.186 866 A CA 1.542 53.654 52.037 0.126 0.000 0.624 866 A CB -0.677 18.381 19.000 0.098 0.000 0.822 866 A HN 0.363 nan 8.150 nan 0.000 0.444 867 L N -1.785 119.590 121.223 0.253 0.000 2.109 867 L HA -0.156 4.183 4.340 -0.002 0.000 0.207 867 L C 2.596 179.707 176.870 0.402 0.000 1.086 867 L CA 1.041 56.079 54.840 0.329 0.000 0.760 867 L CB -0.468 41.825 42.059 0.391 0.000 0.910 867 L HN 0.787 nan 8.230 nan 0.000 0.437 868 W N 1.793 123.201 121.300 0.178 0.000 2.355 868 W HA -0.250 4.409 4.660 -0.002 0.000 0.309 868 W C 2.232 178.765 176.519 0.023 0.000 1.206 868 W CA 2.213 59.547 57.345 -0.019 0.000 1.284 868 W CB -0.124 29.115 29.460 -0.369 0.000 1.145 868 W HN 0.334 nan 8.180 nan 0.000 0.502 869 E N 0.547 120.901 120.200 0.257 0.000 2.077 869 E HA -0.195 4.154 4.350 -0.002 0.000 0.193 869 E C 2.284 178.940 176.600 0.094 0.000 0.989 869 E CA 1.689 58.189 56.400 0.167 0.000 0.800 869 E CB -0.382 29.425 29.700 0.178 0.000 0.746 869 E HN 0.151 nan 8.360 nan 0.000 0.452 870 A N 1.058 123.976 122.820 0.163 0.000 1.877 870 A HA -0.148 4.171 4.320 -0.002 0.000 0.216 870 A C 2.173 179.897 177.584 0.233 0.000 1.186 870 A CA 1.357 53.547 52.037 0.254 0.000 0.620 870 A CB -0.567 18.627 19.000 0.324 0.000 0.822 870 A HN 0.345 nan 8.150 nan 0.000 0.443 871 I N -0.811 119.848 120.570 0.148 0.000 2.252 871 I HA -0.214 3.955 4.170 -0.002 0.000 0.245 871 I C 2.575 178.554 176.117 -0.229 0.000 1.102 871 I CA 1.611 62.873 61.300 -0.062 0.000 1.385 871 I CB -0.232 37.766 38.000 -0.004 0.000 1.064 871 I HN 0.533 nan 8.210 nan 0.000 0.414 872 E N 0.583 120.599 120.200 -0.307 0.000 2.047 872 E HA -0.204 4.145 4.350 -0.002 0.000 0.191 872 E C 2.074 178.571 176.600 -0.172 0.000 0.987 872 E CA 1.830 58.029 56.400 -0.335 0.000 0.799 872 E CB 0.069 29.558 29.700 -0.352 0.000 0.752 872 E HN 0.360 nan 8.360 nan 0.000 0.449 873 T N 0.946 115.453 114.554 -0.079 0.000 2.684 873 T HA -0.198 4.151 4.350 -0.002 0.000 0.267 873 T C 1.416 176.085 174.700 -0.051 0.000 1.036 873 T CA 1.508 63.592 62.100 -0.027 0.000 1.148 873 T CB -0.530 68.366 68.868 0.046 0.000 0.863 873 T HN 0.265 nan 8.240 nan 0.000 0.436 874 F N 1.641 121.441 119.950 -0.250 0.000 2.069 874 F HA -0.062 4.464 4.527 -0.002 0.000 0.298 874 F C 2.010 177.635 175.800 -0.293 0.000 1.113 874 F CA 0.957 58.741 58.000 -0.359 0.000 1.214 874 F CB -0.647 37.777 39.000 -0.960 0.000 0.978 874 F HN 0.111 nan 8.300 nan 0.000 0.474 875 I N 0.164 120.415 120.570 -0.531 0.000 2.315 875 I HA -0.210 3.959 4.170 -0.002 0.000 0.248 875 I C 2.729 178.624 176.117 -0.371 0.000 1.117 875 I CA 1.324 62.293 61.300 -0.552 0.000 1.404 875 I CB -1.284 36.504 38.000 -0.354 0.000 1.071 875 I HN 0.331 nan 8.210 nan 0.000 0.419 876 G N 0.348 108.994 108.800 -0.255 0.000 2.440 876 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.218 876 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.218 876 G C 1.516 176.320 174.900 -0.160 0.000 1.154 876 G CA 0.595 45.595 45.100 -0.167 0.000 0.767 876 G HN 0.414 nan 8.290 nan 0.000 0.552 877 E N -0.144 119.940 120.200 -0.194 0.000 2.106 877 E HA -0.048 4.301 4.350 -0.002 0.000 0.192 877 E C 2.512 178.982 176.600 -0.217 0.000 0.984 877 E CA 0.378 56.677 56.400 -0.168 0.000 0.806 877 E CB -0.040 29.590 29.700 -0.116 0.000 0.750 877 E HN 0.305 nan 8.360 nan 0.000 0.458 878 I N 1.114 121.471 120.570 -0.355 0.000 2.202 878 I HA -0.233 3.936 4.170 -0.002 0.000 0.242 878 I C 2.413 178.544 176.117 0.025 0.000 1.091 878 I CA 1.228 62.372 61.300 -0.259 0.000 1.368 878 I CB -0.735 36.977 38.000 -0.480 0.000 1.058 878 I HN 0.156 nan 8.210 nan 0.000 0.410 879 I N 1.081 121.643 120.570 -0.013 0.000 2.208 879 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 879 I C 2.634 178.856 176.117 0.176 0.000 1.097 879 I CA 1.431 62.821 61.300 0.150 0.000 1.363 879 I CB -0.359 37.614 38.000 -0.045 0.000 1.051 879 I HN 0.129 nan 8.210 nan 0.000 0.413 880 A N 0.449 123.281 122.820 0.020 0.000 2.067 880 A HA -0.115 4.204 4.320 -0.002 0.000 0.219 880 A C 2.219 179.757 177.584 -0.077 0.000 1.158 880 A CA 1.214 53.246 52.037 -0.009 0.000 0.661 880 A CB -0.683 18.288 19.000 -0.048 0.000 0.801 880 A HN 0.422 nan 8.150 nan 0.000 0.452 881 I N -2.333 118.131 120.570 -0.175 0.000 2.353 881 I HA -0.153 4.016 4.170 -0.002 0.000 0.248 881 I C 1.816 177.579 176.117 -0.590 0.000 1.119 881 I CA 1.229 62.255 61.300 -0.457 0.000 1.417 881 I CB -0.124 37.426 38.000 -0.750 0.000 1.078 881 I HN 0.352 nan 8.210 nan 0.000 0.421 882 F N -1.452 118.448 119.950 -0.083 0.000 2.678 882 F HA 0.155 4.681 4.527 -0.002 0.000 0.291 882 F C 0.129 175.748 175.800 -0.302 0.000 1.123 882 F CA -0.190 57.674 58.000 -0.226 0.000 1.395 882 F CB 0.235 39.028 39.000 -0.346 0.000 1.121 882 F HN -0.172 nan 8.300 nan 0.000 0.592 883 Y N 0.894 121.258 120.300 0.107 0.000 2.345 883 Y HA 0.330 4.879 4.550 -0.002 0.000 0.331 883 Y C 0.908 176.834 175.900 0.042 0.000 0.959 883 Y CA -1.124 57.032 58.100 0.093 0.000 1.204 883 Y CB 1.000 39.500 38.460 0.068 0.000 1.135 883 Y HN -0.273 nan 8.280 nan 0.000 0.477 884 K N 1.965 122.461 120.400 0.160 0.000 2.400 884 K HA 0.106 4.425 4.320 -0.002 0.000 0.194 884 K C -0.389 176.259 176.600 0.081 0.000 1.033 884 K CA 0.343 56.681 56.287 0.084 0.000 1.021 884 K CB -0.333 32.198 32.500 0.051 0.000 0.808 884 K HN 0.903 nan 8.250 nan 0.000 0.505 885 N N -2.001 116.768 118.700 0.114 0.000 3.373 885 N HA 0.058 4.797 4.740 -0.002 0.000 0.275 885 N C -0.382 175.181 175.510 0.089 0.000 1.489 885 N CA -0.542 52.554 53.050 0.076 0.000 0.872 885 N CB 0.043 38.561 38.487 0.050 0.000 1.555 885 N HN -0.382 nan 8.380 nan 0.000 0.500 886 D N -0.382 120.051 120.400 0.054 0.000 2.144 886 D HA -0.106 4.533 4.640 -0.002 0.000 0.199 886 D C 0.490 176.826 176.300 0.060 0.000 0.984 886 D CA 1.261 55.291 54.000 0.050 0.000 0.834 886 D CB -0.294 40.527 40.800 0.035 0.000 0.955 886 D HN 0.512 nan 8.370 nan 0.000 0.465 887 D N 1.028 121.451 120.400 0.039 0.000 2.123 887 D HA -0.143 4.495 4.640 -0.002 0.000 0.196 887 D C 1.514 177.816 176.300 0.004 0.000 0.992 887 D CA 0.922 54.922 54.000 0.001 0.000 0.833 887 D CB -0.287 40.494 40.800 -0.032 0.000 0.954 887 D HN 0.172 nan 8.370 nan 0.000 0.455 888 D N 0.080 120.535 120.400 0.091 0.000 2.123 888 D HA -0.110 4.529 4.640 -0.002 0.000 0.196 888 D C 2.290 178.863 176.300 0.454 0.000 0.992 888 D CA 0.472 54.632 54.000 0.266 0.000 0.833 888 D CB -0.254 40.789 40.800 0.405 0.000 0.954 888 D HN 0.101 nan 8.370 nan 0.000 0.455 889 V N 0.806 120.927 119.914 0.344 0.000 2.307 889 V HA -0.208 3.911 4.120 -0.002 0.000 0.245 889 V C 2.260 178.491 176.094 0.228 0.000 1.045 889 V CA 1.481 63.920 62.300 0.233 0.000 1.024 889 V CB -0.370 31.427 31.823 -0.043 0.000 0.651 889 V HN 0.163 nan 8.190 nan 0.000 0.449 890 K N -0.118 120.370 120.400 0.147 0.000 2.147 890 K HA -0.121 4.198 4.320 -0.002 0.000 0.205 890 K C 2.270 178.930 176.600 0.099 0.000 1.049 890 K CA 1.261 57.616 56.287 0.114 0.000 0.936 890 K CB -0.179 32.355 32.500 0.056 0.000 0.722 890 K HN 0.355 nan 8.250 nan 0.000 0.446 891 R N 0.662 121.194 120.500 0.052 0.000 2.276 891 R HA -0.019 4.320 4.340 -0.002 0.000 0.196 891 R C 0.122 176.557 176.300 0.225 0.000 0.961 891 R CA 0.150 56.223 56.100 -0.046 0.000 1.024 891 R CB 0.161 30.132 30.300 -0.547 0.000 0.940 891 R HN 0.074 nan 8.270 nan 0.000 0.480 892 D N 1.076 121.721 120.400 0.410 0.000 2.402 892 D HA -0.033 4.606 4.640 -0.002 0.000 0.235 892 D C 0.380 176.878 176.300 0.330 0.000 1.226 892 D CA -0.190 54.103 54.000 0.489 0.000 0.918 892 D CB 0.334 41.466 40.800 0.553 0.000 1.043 892 D HN 0.209 nan 8.370 nan 0.000 0.506 893 N N 2.634 121.492 118.700 0.263 0.000 2.381 893 N HA -0.169 4.570 4.740 -0.002 0.000 0.182 893 N C 1.060 176.687 175.510 0.194 0.000 1.025 893 N CA 0.811 53.976 53.050 0.193 0.000 0.888 893 N CB 0.034 38.607 38.487 0.144 0.000 0.965 893 N HN 0.443 nan 8.380 nan 0.000 0.438 894 E N 0.129 120.451 120.200 0.204 0.000 2.046 894 E HA -0.105 4.244 4.350 -0.002 0.000 0.190 894 E C 1.644 178.359 176.600 0.191 0.000 0.982 894 E CA 0.774 57.269 56.400 0.159 0.000 0.800 894 E CB -0.097 29.667 29.700 0.107 0.000 0.756 894 E HN 0.310 nan 8.360 nan 0.000 0.449 895 I N 1.566 122.268 120.570 0.221 0.000 2.361 895 I HA -0.266 3.902 4.170 -0.002 0.000 0.251 895 I C 2.087 178.518 176.117 0.525 0.000 1.133 895 I CA 1.307 62.788 61.300 0.303 0.000 1.413 895 I CB -0.030 38.110 38.000 0.233 0.000 1.073 895 I HN 0.039 nan 8.210 nan 0.000 0.424 896 Q N -0.304 119.731 119.800 0.391 0.000 2.046 896 Q HA -0.116 4.223 4.340 -0.002 0.000 0.200 896 Q C 2.414 178.584 176.000 0.285 0.000 0.975 896 Q CA 1.889 57.880 55.803 0.314 0.000 0.836 896 Q CB -0.691 28.170 28.738 0.204 0.000 0.896 896 Q HN 0.450 nan 8.270 nan 0.000 0.428 897 S N 0.394 116.255 115.700 0.268 0.000 2.402 897 S HA -0.125 4.344 4.470 -0.002 0.000 0.229 897 S C 1.335 176.127 174.600 0.319 0.000 1.021 897 S CA 0.728 59.086 58.200 0.264 0.000 0.974 897 S CB -0.316 63.011 63.200 0.211 0.000 0.800 897 S HN 0.491 nan 8.310 nan 0.000 0.484 898 W N 1.913 123.302 121.300 0.148 0.000 2.354 898 W HA -0.110 4.549 4.660 -0.002 0.000 0.315 898 W C 1.819 178.411 176.519 0.122 0.000 1.206 898 W CA 0.901 58.326 57.345 0.133 0.000 1.290 898 W CB -0.554 28.979 29.460 0.123 0.000 1.152 898 W HN 0.223 nan 8.180 nan 0.000 0.489 899 I N -0.424 120.274 120.570 0.213 0.000 2.353 899 I HA -0.195 3.974 4.170 -0.002 0.000 0.248 899 I C 2.308 178.304 176.117 -0.202 0.000 1.119 899 I CA 1.504 62.699 61.300 -0.175 0.000 1.417 899 I CB -1.248 36.599 38.000 -0.255 0.000 1.078 899 I HN 0.160 nan 8.210 nan 0.000 0.421 900 Y N 0.961 121.192 120.300 -0.115 0.000 2.181 900 Y HA -0.289 4.260 4.550 -0.002 0.000 0.288 900 Y C 2.294 178.161 175.900 -0.054 0.000 1.146 900 Y CA 2.210 60.264 58.100 -0.076 0.000 1.164 900 Y CB -0.377 38.067 38.460 -0.028 0.000 0.982 900 Y HN 0.273 nan 8.280 nan 0.000 0.515 901 D N -0.753 119.642 120.400 -0.008 0.000 2.144 901 D HA -0.154 4.485 4.640 -0.002 0.000 0.200 901 D C 2.196 178.344 176.300 -0.253 0.000 0.978 901 D CA 1.433 55.425 54.000 -0.013 0.000 0.833 901 D CB -0.140 40.789 40.800 0.216 0.000 0.961 901 D HN 0.263 nan 8.370 nan 0.000 0.470 902 V N -0.139 119.531 119.914 -0.408 0.000 2.307 902 V HA -0.223 3.895 4.120 -0.002 0.000 0.245 902 V C 2.334 178.073 176.094 -0.593 0.000 1.045 902 V CA 2.036 63.931 62.300 -0.676 0.000 1.024 902 V CB -0.829 30.207 31.823 -1.312 0.000 0.651 902 V HN 0.344 nan 8.190 nan 0.000 0.449 903 H N 0.760 119.476 119.070 -0.590 0.000 2.321 903 H HA -0.267 4.288 4.556 -0.002 0.000 0.295 903 H C 2.213 177.264 175.328 -0.463 0.000 1.102 903 H CA 2.602 58.367 56.048 -0.471 0.000 1.266 903 H CB 0.091 29.583 29.762 -0.450 0.000 1.363 903 H HN 0.342 nan 8.280 nan 0.000 0.492 904 K N -0.570 119.468 120.400 -0.604 0.000 2.214 904 K HA 0.109 4.428 4.320 -0.002 0.000 0.201 904 K C 1.075 177.385 176.600 -0.483 0.000 1.049 904 K CA 1.473 57.422 56.287 -0.564 0.000 0.978 904 K CB 0.414 32.514 32.500 -0.668 0.000 0.842 904 K HN 0.468 nan 8.250 nan 0.000 0.474 905 N N -1.385 116.961 118.700 -0.590 0.000 2.181 905 N HA 0.171 4.910 4.740 -0.002 0.000 0.207 905 N C 1.013 175.878 175.510 -1.075 0.000 1.182 905 N CA 0.272 52.842 53.050 -0.800 0.000 0.893 905 N CB 1.228 39.051 38.487 -1.107 0.000 1.032 905 N HN 0.214 nan 8.380 nan 0.000 0.513 906 G N -0.046 108.252 108.800 -0.837 0.000 2.641 906 G HA2 -0.028 3.930 3.960 -0.002 0.000 0.211 906 G HA3 -0.028 3.930 3.960 -0.002 0.000 0.211 906 G C -0.463 174.495 174.900 0.097 0.000 1.190 906 G CA -0.067 44.716 45.100 -0.527 0.000 0.842 906 G HN 0.135 nan 8.290 nan 0.000 0.585 907 W N 2.752 123.922 121.300 -0.216 0.000 2.227 907 W HA 0.606 5.265 4.660 -0.002 0.000 0.308 907 W C -0.114 176.406 176.519 0.002 0.000 0.882 907 W CA -1.890 55.475 57.345 0.034 0.000 1.707 907 W CB -0.292 29.177 29.460 0.014 0.000 1.782 907 W HN -0.041 nan 8.180 nan 0.000 0.385 908 R N 0.825 121.409 120.500 0.140 0.000 2.401 908 R HA 0.224 4.563 4.340 -0.002 0.000 0.299 908 R C 0.129 176.408 176.300 -0.036 0.000 1.064 908 R CA -0.305 55.745 56.100 -0.083 0.000 1.000 908 R CB 0.932 31.095 30.300 -0.229 0.000 0.973 908 R HN -0.072 nan 8.270 nan 0.000 0.438 909 V N 5.127 124.966 119.914 -0.124 0.000 2.302 909 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 909 V C 0.373 176.292 176.094 -0.291 0.000 1.160 909 V CA -0.087 62.084 62.300 -0.214 0.000 1.127 909 V CB -0.615 31.067 31.823 -0.234 0.000 1.253 909 V HN 0.643 nan 8.190 nan 0.000 0.496 910 N N 4.746 123.122 118.700 -0.540 0.000 2.448 910 N HA 0.428 5.167 4.740 -0.002 0.000 0.274 910 N C -2.515 172.901 175.510 -0.157 0.000 1.239 910 N CA -1.906 50.904 53.050 -0.400 0.000 0.982 910 N CB 0.498 38.699 38.487 -0.476 0.000 1.199 910 N HN 0.190 nan 8.380 nan 0.000 0.576 911 P HA 0.096 nan 4.420 nan 0.000 0.263 911 P C 0.487 177.861 177.300 0.124 0.000 1.195 911 P CA 0.898 64.009 63.100 0.017 0.000 0.762 911 P CB 0.217 31.917 31.700 0.001 0.000 0.799 912 G N 1.528 110.377 108.800 0.083 0.000 2.175 912 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.244 912 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.244 912 G C 0.069 174.991 174.900 0.037 0.000 0.982 912 G CA -0.398 44.738 45.100 0.059 0.000 0.641 912 G HN 0.660 nan 8.290 nan 0.000 0.527 913 H N 1.025 120.031 119.070 -0.105 0.000 2.502 913 H HA 0.337 4.892 4.556 -0.002 0.000 0.327 913 H C 0.379 175.554 175.328 -0.256 0.000 1.099 913 H CA -0.709 55.229 56.048 -0.184 0.000 1.323 913 H CB 0.910 30.546 29.762 -0.211 0.000 1.450 913 H HN 0.197 nan 8.280 nan 0.000 0.502 914 Q N 1.611 121.283 119.800 -0.214 0.000 2.524 914 Q HA -0.048 4.291 4.340 -0.002 0.000 0.246 914 Q C -0.120 175.645 176.000 -0.393 0.000 1.063 914 Q CA 0.180 55.847 55.803 -0.226 0.000 0.945 914 Q CB 0.592 29.231 28.738 -0.166 0.000 1.292 914 Q HN 0.648 nan 8.270 nan 0.000 0.518 915 D N -0.015 120.235 120.400 -0.250 0.000 2.472 915 D HA -0.102 4.537 4.640 -0.002 0.000 0.237 915 D C 0.429 176.582 176.300 -0.246 0.000 1.141 915 D CA 0.336 54.196 54.000 -0.234 0.000 0.875 915 D CB 0.541 41.293 40.800 -0.080 0.000 1.192 915 D HN 0.338 nan 8.370 nan 0.000 0.450 916 H N 2.909 121.995 119.070 0.027 0.000 2.539 916 H HA 0.208 4.763 4.556 -0.002 0.000 0.269 916 H C 1.560 177.027 175.328 0.231 0.000 0.980 916 H CA 0.639 56.760 56.048 0.122 0.000 1.152 916 H CB 0.558 30.436 29.762 0.193 0.000 1.407 916 H HN 0.697 nan 8.280 nan 0.000 0.564 917 G N 1.059 109.991 108.800 0.220 0.000 2.155 917 G HA2 -0.288 3.671 3.960 -0.002 0.000 0.257 917 G HA3 -0.288 3.671 3.960 -0.002 0.000 0.257 917 G C 0.217 175.218 174.900 0.168 0.000 0.983 917 G CA 0.482 45.697 45.100 0.192 0.000 0.676 917 G HN 0.249 nan 8.290 nan 0.000 0.528 918 V N 2.679 122.687 119.914 0.156 0.000 2.385 918 V HA 0.414 4.532 4.120 -0.002 0.000 0.269 918 V C -1.159 174.981 176.094 0.076 0.000 1.043 918 V CA -1.493 60.833 62.300 0.044 0.000 0.906 918 V CB 1.247 33.007 31.823 -0.105 0.000 0.995 918 V HN 0.212 nan 8.190 nan 0.000 0.467 919 P HA 0.147 nan 4.420 nan 0.000 0.269 919 P C 0.427 177.526 177.300 -0.334 0.000 1.215 919 P CA -0.178 62.814 63.100 -0.179 0.000 0.780 919 P CB 1.029 32.576 31.700 -0.254 0.000 0.898 920 A N 1.655 124.181 122.820 -0.490 0.000 2.123 920 A HA 0.176 4.495 4.320 -0.002 0.000 0.214 920 A C 0.847 178.324 177.584 -0.178 0.000 1.152 920 A CA 1.164 52.866 52.037 -0.557 0.000 0.728 920 A CB -0.512 18.137 19.000 -0.585 0.000 0.814 920 A HN 0.704 nan 8.150 nan 0.000 0.464 921 S N -2.533 113.030 115.700 -0.230 0.000 2.643 921 S HA 0.728 5.197 4.470 -0.002 0.000 0.270 921 S C -1.011 173.448 174.600 -0.235 0.000 1.166 921 S CA -0.799 57.314 58.200 -0.145 0.000 0.815 921 S CB 0.709 63.887 63.200 -0.036 0.000 1.139 921 S HN 0.104 nan 8.310 nan 0.000 0.472 922 F N 1.036 121.031 119.950 0.076 0.000 2.469 922 F HA 0.552 5.078 4.527 -0.002 0.000 0.332 922 F C 1.108 176.933 175.800 0.040 0.000 1.103 922 F CA -0.629 57.408 58.000 0.063 0.000 0.979 922 F CB 1.991 41.034 39.000 0.072 0.000 1.137 922 F HN 0.620 nan 8.300 nan 0.000 0.463 923 E N 0.733 121.080 120.200 0.244 0.000 2.514 923 E HA 0.113 4.461 4.350 -0.002 0.000 0.215 923 E C -0.185 176.479 176.600 0.107 0.000 0.946 923 E CA 0.204 56.685 56.400 0.135 0.000 1.038 923 E CB 0.775 30.526 29.700 0.085 0.000 1.069 923 E HN 0.492 nan 8.360 nan 0.000 0.503 924 S N -1.004 114.764 115.700 0.114 0.000 2.596 924 S HA 0.485 4.954 4.470 -0.002 0.000 0.270 924 S C 0.564 175.136 174.600 -0.047 0.000 1.155 924 S CA -0.844 57.379 58.200 0.039 0.000 0.827 924 S CB 2.181 65.408 63.200 0.045 0.000 1.130 924 S HN -0.117 nan 8.310 nan 0.000 0.467 925 R N 0.794 121.246 120.500 -0.080 0.000 2.081 925 R HA -0.077 4.262 4.340 -0.002 0.000 0.235 925 R C 1.712 177.941 176.300 -0.118 0.000 1.131 925 R CA 1.804 57.809 56.100 -0.157 0.000 0.960 925 R CB -0.418 29.826 30.300 -0.094 0.000 0.856 925 R HN 0.777 nan 8.270 nan 0.000 0.436 926 E N 1.124 121.301 120.200 -0.037 0.000 2.110 926 E HA -0.255 4.094 4.350 -0.002 0.000 0.193 926 E C 1.836 178.457 176.600 0.034 0.000 0.988 926 E CA 1.146 57.547 56.400 0.001 0.000 0.804 926 E CB -0.459 29.260 29.700 0.032 0.000 0.745 926 E HN 0.461 nan 8.360 nan 0.000 0.458 927 Q N 0.224 120.064 119.800 0.067 0.000 2.079 927 Q HA -0.108 4.231 4.340 -0.002 0.000 0.200 927 Q C 2.254 178.342 176.000 0.146 0.000 0.974 927 Q CA 0.892 56.801 55.803 0.176 0.000 0.840 927 Q CB -0.045 28.860 28.738 0.278 0.000 0.898 927 Q HN 0.253 nan 8.270 nan 0.000 0.430 928 L N 1.338 122.453 121.223 -0.179 0.000 2.046 928 L HA -0.175 4.164 4.340 -0.002 0.000 0.208 928 L C 2.285 178.989 176.870 -0.277 0.000 1.077 928 L CA 1.986 56.460 54.840 -0.609 0.000 0.747 928 L CB -0.521 41.023 42.059 -0.860 0.000 0.896 928 L HN 0.099 nan 8.230 nan 0.000 0.432 929 K N -0.521 119.768 120.400 -0.186 0.000 2.063 929 K HA -0.271 4.048 4.320 -0.002 0.000 0.208 929 K C 2.169 178.733 176.600 -0.060 0.000 1.048 929 K CA 1.895 58.100 56.287 -0.136 0.000 0.928 929 K CB -0.201 32.234 32.500 -0.108 0.000 0.713 929 K HN 0.570 nan 8.250 nan 0.000 0.442 930 E N -0.073 120.159 120.200 0.054 0.000 2.072 930 E HA -0.153 4.196 4.350 -0.002 0.000 0.191 930 E C 1.833 178.537 176.600 0.173 0.000 0.985 930 E CA 1.229 57.728 56.400 0.166 0.000 0.801 930 E CB 0.156 30.017 29.700 0.268 0.000 0.750 930 E HN 0.145 nan 8.360 nan 0.000 0.452 931 V N 1.317 121.352 119.914 0.202 0.000 2.358 931 V HA -0.247 3.872 4.120 -0.002 0.000 0.246 931 V C 2.444 178.594 176.094 0.094 0.000 1.047 931 V CA 1.379 63.809 62.300 0.217 0.000 1.035 931 V CB -0.385 31.722 31.823 0.473 0.000 0.658 931 V HN 0.344 nan 8.190 nan 0.000 0.452 932 L N -0.456 120.790 121.223 0.039 0.000 2.056 932 L HA -0.153 4.186 4.340 -0.002 0.000 0.207 932 L C 2.657 179.464 176.870 -0.104 0.000 1.078 932 L CA 1.854 56.676 54.840 -0.030 0.000 0.749 932 L CB -0.945 41.037 42.059 -0.128 0.000 0.901 932 L HN 0.367 nan 8.230 nan 0.000 0.433 933 T N -0.791 113.645 114.554 -0.196 0.000 2.652 933 T HA -0.206 4.143 4.350 -0.002 0.000 0.267 933 T C 2.122 176.607 174.700 -0.357 0.000 1.039 933 T CA 1.833 63.676 62.100 -0.428 0.000 1.153 933 T CB -0.252 68.158 68.868 -0.763 0.000 0.863 933 T HN 0.272 nan 8.240 nan 0.000 0.428 934 S N 1.308 116.954 115.700 -0.091 0.000 2.365 934 S HA -0.100 4.369 4.470 -0.002 0.000 0.225 934 S C 1.957 176.657 174.600 0.167 0.000 1.039 934 S CA 1.092 59.448 58.200 0.260 0.000 1.033 934 S CB -0.554 62.833 63.200 0.311 0.000 0.887 934 S HN 0.294 nan 8.310 nan 0.000 0.447 935 L N 1.629 122.826 121.223 -0.042 0.000 2.027 935 L HA 0.031 4.370 4.340 -0.002 0.000 0.206 935 L C 2.205 179.085 176.870 0.018 0.000 1.074 935 L CA 1.545 56.278 54.840 -0.178 0.000 0.745 935 L CB -0.695 41.211 42.059 -0.254 0.000 0.898 935 L HN 0.130 nan 8.230 nan 0.000 0.433 936 V N -0.542 119.425 119.914 0.088 0.000 2.427 936 V HA -0.285 3.834 4.120 -0.002 0.000 0.248 936 V C 2.330 178.504 176.094 0.133 0.000 1.051 936 V CA 1.993 64.343 62.300 0.083 0.000 1.048 936 V CB -0.834 30.880 31.823 -0.181 0.000 0.666 936 V HN 0.536 nan 8.190 nan 0.000 0.456 937 F N 1.299 121.257 119.950 0.012 0.000 2.134 937 F HA -0.205 4.321 4.527 -0.002 0.000 0.299 937 F C 2.392 178.337 175.800 0.241 0.000 1.097 937 F CA 2.220 60.299 58.000 0.133 0.000 1.264 937 F CB -0.419 38.695 39.000 0.189 0.000 1.001 937 F HN 0.112 nan 8.300 nan 0.000 0.479 938 T N 0.385 115.154 114.554 0.359 0.000 2.737 938 T HA -0.183 4.165 4.350 -0.002 0.000 0.265 938 T C 1.858 176.672 174.700 0.190 0.000 1.038 938 T CA 1.756 64.022 62.100 0.277 0.000 1.144 938 T CB -0.798 68.257 68.868 0.313 0.000 0.866 938 T HN 0.262 nan 8.240 nan 0.000 0.434 939 F N 1.770 121.829 119.950 0.183 0.000 2.161 939 F HA -0.178 4.348 4.527 -0.002 0.000 0.300 939 F C 2.744 178.658 175.800 0.189 0.000 1.089 939 F CA 1.129 59.226 58.000 0.162 0.000 1.282 939 F CB -0.097 39.014 39.000 0.184 0.000 1.010 939 F HN 0.256 nan 8.300 nan 0.000 0.485 940 S N -1.410 114.506 115.700 0.360 0.000 2.460 940 S HA -0.090 4.379 4.470 -0.002 0.000 0.185 940 S C 1.999 176.705 174.600 0.177 0.000 0.908 940 S CA 0.625 59.002 58.200 0.296 0.000 0.894 940 S CB -0.885 62.476 63.200 0.268 0.000 0.855 940 S HN 0.294 nan 8.310 nan 0.000 0.574 941 C N 1.798 121.036 119.300 -0.103 0.000 2.436 941 C HA 0.014 4.473 4.460 -0.002 0.000 0.277 941 C C 3.072 177.950 174.990 -0.186 0.000 1.241 941 C CA 1.379 60.224 59.018 -0.288 0.000 1.721 941 C CB -1.368 25.834 27.740 -0.897 0.000 2.043 941 C HN 0.768 nan 8.230 nan 0.000 0.472 942 Q N 0.379 120.011 119.800 -0.280 0.000 2.046 942 Q HA -0.183 4.156 4.340 -0.002 0.000 0.200 942 Q C 2.208 178.330 176.000 0.202 0.000 0.975 942 Q CA 1.879 57.759 55.803 0.128 0.000 0.836 942 Q CB -0.796 28.117 28.738 0.293 0.000 0.896 942 Q HN 0.811 nan 8.270 nan 0.000 0.428 943 H N -0.637 118.518 119.070 0.141 0.000 2.352 943 H HA -0.104 4.450 4.556 -0.002 0.000 0.299 943 H C 1.581 176.989 175.328 0.134 0.000 1.097 943 H CA 1.594 57.735 56.048 0.154 0.000 1.311 943 H CB 0.055 29.911 29.762 0.156 0.000 1.377 943 H HN 0.385 nan 8.280 nan 0.000 0.504 944 A N 1.350 124.278 122.820 0.181 0.000 1.883 944 A HA -0.114 4.205 4.320 -0.002 0.000 0.217 944 A C 2.744 180.430 177.584 0.171 0.000 1.186 944 A CA 1.934 54.171 52.037 0.334 0.000 0.624 944 A CB -1.173 18.127 19.000 0.501 0.000 0.822 944 A HN 0.588 nan 8.150 nan 0.000 0.444 945 A N -0.326 122.613 122.820 0.199 0.000 1.933 945 A HA -0.006 4.313 4.320 -0.002 0.000 0.218 945 A C 2.135 179.724 177.584 0.009 0.000 1.175 945 A CA 2.215 54.394 52.037 0.235 0.000 0.628 945 A CB -0.941 18.363 19.000 0.506 0.000 0.814 945 A HN 1.246 nan 8.150 nan 0.000 0.444 946 V N -3.145 116.743 119.914 -0.044 0.000 3.647 946 V HA 0.143 4.262 4.120 -0.002 0.000 0.279 946 V C 1.291 177.251 176.094 -0.223 0.000 1.314 946 V CA 1.224 63.489 62.300 -0.058 0.000 1.125 946 V CB -0.495 31.380 31.823 0.087 0.000 0.907 946 V HN 0.627 nan 8.190 nan 0.000 0.434 947 N N 0.308 118.694 118.700 -0.523 0.000 2.591 947 N HA 0.133 4.872 4.740 -0.002 0.000 0.200 947 N C 1.480 176.528 175.510 -0.770 0.000 1.040 947 N CA 0.593 53.116 53.050 -0.879 0.000 0.911 947 N CB 0.183 37.789 38.487 -1.468 0.000 1.259 947 N HN 0.481 nan 8.380 nan 0.000 0.438 948 F N 1.905 121.660 119.950 -0.325 0.000 2.748 948 F HA 0.070 4.595 4.527 -0.002 0.000 0.299 948 F C 2.269 177.812 175.800 -0.429 0.000 1.154 948 F CA 0.385 58.224 58.000 -0.269 0.000 1.446 948 F CB 0.157 39.121 39.000 -0.060 0.000 1.112 948 F HN 0.119 nan 8.300 nan 0.000 0.584 949 S N -1.001 114.296 115.700 -0.672 0.000 2.603 949 S HA -0.078 4.391 4.470 -0.002 0.000 0.220 949 S C 1.561 175.892 174.600 -0.448 0.000 0.967 949 S CA 0.144 57.666 58.200 -1.129 0.000 0.920 949 S CB -0.283 62.267 63.200 -1.084 0.000 0.773 949 S HN 0.476 nan 8.310 nan 0.000 0.529 950 Q N 1.034 120.679 119.800 -0.259 0.000 2.245 950 Q HA 0.045 4.384 4.340 -0.002 0.000 0.201 950 Q C 2.214 178.259 176.000 0.075 0.000 0.955 950 Q CA 0.688 56.472 55.803 -0.033 0.000 0.870 950 Q CB -0.083 28.696 28.738 0.069 0.000 0.945 950 Q HN 0.461 nan 8.270 nan 0.000 0.461 951 K N 1.352 121.771 120.400 0.032 0.000 2.025 951 K HA -0.186 4.133 4.320 -0.002 0.000 0.207 951 K C 1.030 177.665 176.600 0.057 0.000 1.049 951 K CA 1.508 57.837 56.287 0.070 0.000 0.933 951 K CB 0.005 32.559 32.500 0.089 0.000 0.714 951 K HN 0.133 nan 8.250 nan 0.000 0.438 952 D N -0.372 120.068 120.400 0.068 0.000 2.144 952 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 952 D C 1.986 178.308 176.300 0.037 0.000 0.984 952 D CA 1.143 55.189 54.000 0.076 0.000 0.834 952 D CB -0.165 40.752 40.800 0.195 0.000 0.955 952 D HN 0.490 nan 8.370 nan 0.000 0.465 953 H N -1.212 117.777 119.070 -0.135 0.000 2.343 953 H HA -0.046 4.509 4.556 -0.002 0.000 0.303 953 H C 1.236 176.378 175.328 -0.311 0.000 1.068 953 H CA 1.499 57.355 56.048 -0.319 0.000 1.359 953 H CB 0.097 29.486 29.762 -0.622 0.000 1.402 953 H HN 0.119 nan 8.280 nan 0.000 0.515 954 Y N -1.264 119.077 120.300 0.069 0.000 2.442 954 Y HA 0.211 4.760 4.550 -0.002 0.000 0.250 954 Y C 2.449 178.331 175.900 -0.031 0.000 1.113 954 Y CA 0.060 58.165 58.100 0.007 0.000 1.273 954 Y CB 0.628 39.099 38.460 0.018 0.000 1.138 954 Y HN 0.319 nan 8.280 nan 0.000 0.522 955 G N 0.593 109.468 108.800 0.125 0.000 2.442 955 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.219 955 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.219 955 G C 0.217 175.259 174.900 0.236 0.000 1.141 955 G CA 0.365 45.522 45.100 0.094 0.000 0.763 955 G HN 0.253 nan 8.290 nan 0.000 0.554 956 F N 2.207 122.167 119.950 0.018 0.000 2.335 956 F HA 0.455 4.981 4.527 -0.002 0.000 0.365 956 F C 1.480 177.180 175.800 -0.167 0.000 1.122 956 F CA -0.827 57.182 58.000 0.015 0.000 1.151 956 F CB 0.860 39.838 39.000 -0.038 0.000 1.282 956 F HN -0.084 nan 8.300 nan 0.000 0.513 957 T N 6.152 120.317 114.554 -0.648 0.000 2.720 957 T HA -0.104 4.245 4.350 -0.002 0.000 0.268 957 T C -0.906 173.256 174.700 -0.897 0.000 1.037 957 T CA 1.800 63.537 62.100 -0.604 0.000 1.144 957 T CB -0.720 67.904 68.868 -0.406 0.000 0.864 957 T HN 0.414 nan 8.240 nan 0.000 0.444 958 P HA -0.032 nan 4.420 nan 0.000 0.222 958 P C 1.323 178.296 177.300 -0.545 0.000 1.147 958 P CA 0.636 62.997 63.100 -1.231 0.000 0.790 958 P CB -0.210 30.393 31.700 -1.829 0.000 0.780 959 N N 0.036 118.445 118.700 -0.485 0.000 2.205 959 N HA -0.136 4.603 4.740 -0.002 0.000 0.186 959 N C 0.097 175.577 175.510 -0.050 0.000 1.015 959 N CA 1.168 54.227 53.050 0.014 0.000 0.862 959 N CB 0.041 38.578 38.487 0.083 0.000 0.986 959 N HN -0.047 nan 8.380 nan 0.000 0.429 960 A N 0.904 123.646 122.820 -0.131 0.000 3.200 960 A HA 0.310 4.629 4.320 -0.002 0.000 0.274 960 A C -2.766 174.854 177.584 0.060 0.000 1.220 960 A CA -0.930 51.079 52.037 -0.048 0.000 0.904 960 A CB 0.791 19.624 19.000 -0.278 0.000 1.415 960 A HN 0.082 nan 8.150 nan 0.000 0.630 961 P HA 0.403 nan 4.420 nan 0.000 0.275 961 P C 0.568 177.840 177.300 -0.047 0.000 1.228 961 P CA 0.313 63.328 63.100 -0.141 0.000 0.786 961 P CB 1.802 33.319 31.700 -0.305 0.000 0.927 962 A N 3.197 125.969 122.820 -0.080 0.000 2.419 962 A HA 0.345 4.663 4.320 -0.002 0.000 0.233 962 A C 0.698 178.223 177.584 -0.098 0.000 1.217 962 A CA 0.143 52.142 52.037 -0.064 0.000 0.944 962 A CB 0.039 18.969 19.000 -0.117 0.000 1.025 962 A HN 0.487 nan 8.150 nan 0.000 0.524 963 I N 0.742 121.233 120.570 -0.132 0.000 2.545 963 I HA 0.452 4.621 4.170 -0.002 0.000 0.292 963 I C -1.118 174.898 176.117 -0.169 0.000 1.040 963 I CA -0.644 60.578 61.300 -0.130 0.000 1.068 963 I CB 2.184 40.100 38.000 -0.140 0.000 1.251 963 I HN 0.028 nan 8.210 nan 0.000 0.424 964 L N 5.293 126.429 121.223 -0.145 0.000 2.354 964 L HA 0.562 4.901 4.340 -0.002 0.000 0.264 964 L C 0.609 177.468 176.870 -0.018 0.000 1.008 964 L CA -0.703 54.014 54.840 -0.205 0.000 0.819 964 L CB 2.379 44.122 42.059 -0.526 0.000 1.339 964 L HN 0.591 nan 8.230 nan 0.000 0.420 965 R N -0.559 119.910 120.500 -0.053 0.000 2.365 965 R HA 0.250 4.588 4.340 -0.002 0.000 0.223 965 R C -0.263 175.884 176.300 -0.255 0.000 0.899 965 R CA -0.064 55.978 56.100 -0.097 0.000 1.059 965 R CB 0.528 30.695 30.300 -0.221 0.000 1.086 965 R HN 0.491 nan 8.270 nan 0.000 0.522 966 H N -0.065 119.052 119.070 0.079 0.000 2.894 966 H HA 0.340 4.895 4.556 -0.002 0.000 0.368 966 H C -2.473 172.554 175.328 -0.501 0.000 1.181 966 H CA -2.304 53.634 56.048 -0.182 0.000 1.146 966 H CB 2.051 31.789 29.762 -0.040 0.000 1.839 966 H HN -0.159 nan 8.280 nan 0.000 0.557 967 P HA 0.104 nan 4.420 nan 0.000 0.274 967 P C -2.512 174.744 177.300 -0.073 0.000 1.237 967 P CA -1.296 61.466 63.100 -0.563 0.000 0.793 967 P CB -0.024 31.395 31.700 -0.469 0.000 0.977 968 P HA 0.170 nan 4.420 nan 0.000 0.270 968 P C -2.314 174.902 177.300 -0.140 0.000 1.223 968 P CA -0.957 61.791 63.100 -0.588 0.000 0.785 968 P CB -1.374 29.705 31.700 -1.035 0.000 0.923 969 P HA 0.231 nan 4.420 nan 0.000 0.272 969 P C 0.219 177.598 177.300 0.131 0.000 1.230 969 P CA -0.055 63.110 63.100 0.109 0.000 0.788 969 P CB 0.705 32.542 31.700 0.229 0.000 0.949 970 K N 0.230 120.702 120.400 0.120 0.000 2.374 970 K HA 0.129 4.448 4.320 -0.002 0.000 0.202 970 K C 0.476 177.134 176.600 0.097 0.000 1.040 970 K CA 0.085 56.428 56.287 0.093 0.000 1.085 970 K CB 0.385 32.919 32.500 0.057 0.000 0.873 970 K HN 0.520 nan 8.250 nan 0.000 0.539 971 K N -0.258 120.232 120.400 0.150 0.000 2.548 971 K HA 0.354 4.673 4.320 -0.002 0.000 0.282 971 K C -1.208 175.538 176.600 0.243 0.000 1.006 971 K CA -1.047 55.316 56.287 0.127 0.000 0.892 971 K CB 1.560 34.110 32.500 0.083 0.000 1.499 971 K HN -0.294 nan 8.250 nan 0.000 0.433 972 K N -0.209 120.286 120.400 0.157 0.000 2.090 972 K HA 0.382 4.701 4.320 -0.002 0.000 0.250 972 K C 0.513 177.252 176.600 0.232 0.000 1.004 972 K CA 0.031 56.480 56.287 0.270 0.000 0.919 972 K CB 1.022 33.571 32.500 0.083 0.000 1.045 972 K HN 0.968 nan 8.250 nan 0.000 0.471 973 G N 0.883 109.845 108.800 0.271 0.000 2.176 973 G HA2 -0.285 3.673 3.960 -0.002 0.000 0.253 973 G HA3 -0.285 3.673 3.960 -0.002 0.000 0.253 973 G C 0.585 175.585 174.900 0.167 0.000 0.979 973 G CA 0.505 45.720 45.100 0.192 0.000 0.641 973 G HN 0.721 nan 8.290 nan 0.000 0.530 974 E N -0.050 120.255 120.200 0.175 0.000 2.389 974 E HA 0.486 4.834 4.350 -0.002 0.000 0.199 974 E C 1.672 178.343 176.600 0.119 0.000 0.978 974 E CA 0.299 56.777 56.400 0.129 0.000 0.912 974 E CB 0.357 30.126 29.700 0.115 0.000 0.907 974 E HN 0.734 nan 8.360 nan 0.000 0.494 975 A N 1.808 124.718 122.820 0.151 0.000 2.498 975 A HA 0.239 4.558 4.320 -0.002 0.000 0.239 975 A C 0.475 178.117 177.584 0.097 0.000 1.068 975 A CA 0.327 52.443 52.037 0.132 0.000 0.766 975 A CB 0.005 19.106 19.000 0.167 0.000 1.003 975 A HN 0.158 nan 8.150 nan 0.000 0.497 976 T N -0.068 114.463 114.554 -0.039 0.000 2.901 976 T HA 0.451 4.800 4.350 -0.002 0.000 0.293 976 T C 0.759 175.230 174.700 -0.382 0.000 1.084 976 T CA -0.313 61.614 62.100 -0.289 0.000 1.008 976 T CB 0.809 69.588 68.868 -0.148 0.000 1.170 976 T HN 0.739 nan 8.240 nan 0.000 0.509 977 L N 0.931 121.785 121.223 -0.615 0.000 2.043 977 L HA -0.108 4.230 4.340 -0.002 0.000 0.212 977 L C 2.824 179.598 176.870 -0.159 0.000 1.075 977 L CA 2.437 57.091 54.840 -0.309 0.000 0.752 977 L CB -0.912 41.000 42.059 -0.245 0.000 0.891 977 L HN 0.970 nan 8.230 nan 0.000 0.432 978 Q N -0.829 118.892 119.800 -0.131 0.000 2.084 978 Q HA -0.223 4.116 4.340 -0.002 0.000 0.202 978 Q C 2.161 178.139 176.000 -0.037 0.000 0.978 978 Q CA 2.444 58.207 55.803 -0.067 0.000 0.844 978 Q CB -0.253 28.456 28.738 -0.050 0.000 0.898 978 Q HN 0.753 nan 8.270 nan 0.000 0.426 979 S N 0.102 115.779 115.700 -0.038 0.000 2.383 979 S HA -0.128 4.341 4.470 -0.002 0.000 0.227 979 S C 1.956 176.573 174.600 0.029 0.000 1.026 979 S CA 1.089 59.277 58.200 -0.019 0.000 0.981 979 S CB -0.561 62.630 63.200 -0.015 0.000 0.818 979 S HN 0.478 nan 8.310 nan 0.000 0.472 980 I N 1.427 122.030 120.570 0.055 0.000 2.179 980 I HA -0.136 4.033 4.170 -0.002 0.000 0.242 980 I C 2.438 178.585 176.117 0.050 0.000 1.088 980 I CA 1.230 62.600 61.300 0.117 0.000 1.357 980 I CB -0.381 37.786 38.000 0.278 0.000 1.051 980 I HN 0.273 nan 8.210 nan 0.000 0.409 981 L N -0.206 121.037 121.223 0.033 0.000 2.131 981 L HA -0.177 4.162 4.340 -0.002 0.000 0.210 981 L C 2.547 179.453 176.870 0.061 0.000 1.092 981 L CA 1.029 55.898 54.840 0.049 0.000 0.759 981 L CB -0.431 41.650 42.059 0.037 0.000 0.903 981 L HN 0.174 nan 8.230 nan 0.000 0.435 982 S N -1.222 114.517 115.700 0.065 0.000 2.447 982 S HA -0.117 4.352 4.470 -0.002 0.000 0.233 982 S C 1.920 176.640 174.600 0.201 0.000 1.006 982 S CA 1.476 59.749 58.200 0.123 0.000 0.957 982 S CB -0.082 63.186 63.200 0.113 0.000 0.773 982 S HN 0.453 nan 8.310 nan 0.000 0.507 983 T N 1.930 116.568 114.554 0.140 0.000 3.010 983 T HA 0.266 4.615 4.350 -0.002 0.000 0.252 983 T C 0.771 175.404 174.700 -0.112 0.000 1.047 983 T CA 0.091 62.247 62.100 0.093 0.000 1.140 983 T CB -0.130 68.779 68.868 0.067 0.000 0.885 983 T HN 0.200 nan 8.240 nan 0.000 0.464 984 L N 2.223 123.339 121.223 -0.177 0.000 2.503 984 L HA 0.127 4.466 4.340 -0.002 0.000 0.287 984 L C -2.145 174.637 176.870 -0.146 0.000 1.252 984 L CA -1.698 52.968 54.840 -0.291 0.000 0.835 984 L CB -0.313 41.517 42.059 -0.382 0.000 1.099 984 L HN 0.012 nan 8.230 nan 0.000 0.516 985 P HA -0.025 nan 4.420 nan 0.000 0.266 985 P C -0.558 176.744 177.300 0.003 0.000 1.193 985 P CA -0.197 62.851 63.100 -0.087 0.000 0.770 985 P CB 0.408 32.056 31.700 -0.088 0.000 0.836 986 S N 2.506 118.159 115.700 -0.079 0.000 2.580 986 S HA 0.012 4.481 4.470 -0.002 0.000 0.266 986 S C 1.394 175.861 174.600 -0.220 0.000 1.354 986 S CA -0.099 58.009 58.200 -0.153 0.000 1.008 986 S CB 0.327 63.419 63.200 -0.180 0.000 0.898 986 S HN 0.542 nan 8.310 nan 0.000 0.555 987 K N 0.885 120.974 120.400 -0.518 0.000 2.074 987 K HA -0.177 4.142 4.320 -0.002 0.000 0.209 987 K C 2.107 178.526 176.600 -0.302 0.000 1.048 987 K CA 1.913 57.809 56.287 -0.652 0.000 0.926 987 K CB -0.956 30.805 32.500 -1.232 0.000 0.713 987 K HN 0.718 nan 8.250 nan 0.000 0.444 988 S N 0.960 116.507 115.700 -0.255 0.000 2.414 988 S HA -0.123 4.346 4.470 -0.002 0.000 0.227 988 S C 2.113 176.641 174.600 -0.121 0.000 1.022 988 S CA 0.609 58.716 58.200 -0.156 0.000 0.958 988 S CB -0.207 62.903 63.200 -0.150 0.000 0.797 988 S HN 0.381 nan 8.310 nan 0.000 0.493 989 Q N 1.478 121.198 119.800 -0.134 0.000 2.061 989 Q HA -0.017 4.322 4.340 -0.002 0.000 0.204 989 Q C 2.610 178.555 176.000 -0.092 0.000 0.984 989 Q CA 1.622 57.352 55.803 -0.123 0.000 0.846 989 Q CB -0.583 28.073 28.738 -0.136 0.000 0.902 989 Q HN 0.752 nan 8.270 nan 0.000 0.421 990 A N 0.994 123.788 122.820 -0.042 0.000 1.877 990 A HA -0.125 4.194 4.320 -0.002 0.000 0.216 990 A C 2.311 179.882 177.584 -0.021 0.000 1.186 990 A CA 1.579 53.621 52.037 0.009 0.000 0.620 990 A CB -0.907 18.222 19.000 0.216 0.000 0.822 990 A HN 0.409 nan 8.150 nan 0.000 0.443 991 A N -0.233 122.582 122.820 -0.008 0.000 1.908 991 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 991 A C 2.115 179.672 177.584 -0.045 0.000 1.181 991 A CA 1.977 54.020 52.037 0.009 0.000 0.627 991 A CB -0.436 18.605 19.000 0.068 0.000 0.818 991 A HN 0.554 nan 8.150 nan 0.000 0.445 992 K N -0.527 119.840 120.400 -0.056 0.000 2.148 992 K HA 0.034 4.353 4.320 -0.002 0.000 0.204 992 K C 2.284 178.815 176.600 -0.115 0.000 1.050 992 K CA 0.902 57.149 56.287 -0.067 0.000 0.942 992 K CB -0.265 32.189 32.500 -0.077 0.000 0.724 992 K HN 0.449 nan 8.250 nan 0.000 0.446 993 A N 1.411 124.147 122.820 -0.140 0.000 1.902 993 A HA -0.149 4.170 4.320 -0.002 0.000 0.217 993 A C 2.084 179.542 177.584 -0.209 0.000 1.181 993 A CA 1.268 53.195 52.037 -0.184 0.000 0.623 993 A CB -0.562 18.324 19.000 -0.190 0.000 0.818 993 A HN 0.167 nan 8.150 nan 0.000 0.443 994 I N -0.192 120.231 120.570 -0.246 0.000 2.226 994 I HA -0.302 3.867 4.170 -0.002 0.000 0.245 994 I C 2.971 178.731 176.117 -0.596 0.000 1.100 994 I CA 1.089 62.142 61.300 -0.412 0.000 1.374 994 I CB -0.333 37.331 38.000 -0.560 0.000 1.057 994 I HN 0.364 nan 8.210 nan 0.000 0.413 995 A N 0.353 122.840 122.820 -0.554 0.000 1.902 995 A HA -0.212 4.107 4.320 -0.002 0.000 0.217 995 A C 2.385 179.954 177.584 -0.025 0.000 1.181 995 A CA 2.471 54.327 52.037 -0.302 0.000 0.623 995 A CB -1.142 17.904 19.000 0.077 0.000 0.818 995 A HN 0.387 nan 8.150 nan 0.000 0.443 996 T N -0.129 114.390 114.554 -0.059 0.000 2.635 996 T HA -0.172 4.177 4.350 -0.002 0.000 0.267 996 T C 1.884 176.577 174.700 -0.011 0.000 1.040 996 T CA 1.841 63.929 62.100 -0.020 0.000 1.156 996 T CB -0.623 68.204 68.868 -0.068 0.000 0.863 996 T HN 0.156 nan 8.240 nan 0.000 0.430 997 V N 0.534 120.408 119.914 -0.065 0.000 2.332 997 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 997 V C 2.039 178.148 176.094 0.024 0.000 1.055 997 V CA 1.821 64.102 62.300 -0.030 0.000 1.038 997 V CB -0.801 31.010 31.823 -0.020 0.000 0.651 997 V HN 0.501 nan 8.190 nan 0.000 0.450 998 Y N 0.679 120.930 120.300 -0.083 0.000 2.081 998 Y HA -0.282 4.267 4.550 -0.002 0.000 0.280 998 Y C 2.230 178.187 175.900 0.094 0.000 1.163 998 Y CA 1.948 60.070 58.100 0.037 0.000 1.135 998 Y CB -0.350 38.184 38.460 0.123 0.000 0.970 998 Y HN 0.210 nan 8.280 nan 0.000 0.498 999 I N -0.305 120.276 120.570 0.020 0.000 2.226 999 I HA -0.317 3.852 4.170 -0.002 0.000 0.245 999 I C 2.159 178.295 176.117 0.032 0.000 1.100 999 I CA 1.261 62.553 61.300 -0.014 0.000 1.374 999 I CB -0.354 37.713 38.000 0.112 0.000 1.057 999 I HN 0.235 nan 8.210 nan 0.000 0.413 1000 L N 0.035 121.286 121.223 0.046 0.000 2.478 1000 L HA -0.050 4.288 4.340 -0.002 0.000 0.223 1000 L C 2.012 178.862 176.870 -0.033 0.000 1.140 1000 L CA 1.221 56.104 54.840 0.070 0.000 0.842 1000 L CB -0.633 41.460 42.059 0.057 0.000 0.953 1000 L HN 0.423 nan 8.230 nan 0.000 0.452 1001 T N -4.739 109.773 114.554 -0.071 0.000 3.044 1001 T HA 0.081 4.430 4.350 -0.002 0.000 0.260 1001 T C 0.566 175.218 174.700 -0.080 0.000 1.019 1001 T CA -0.430 61.636 62.100 -0.057 0.000 0.921 1001 T CB 0.179 69.025 68.868 -0.037 0.000 1.053 1001 T HN -0.173 nan 8.240 nan 0.000 0.533 1002 K N 2.088 122.418 120.400 -0.116 0.000 2.338 1002 K HA 0.374 4.693 4.320 -0.002 0.000 0.290 1002 K C -0.956 175.635 176.600 -0.014 0.000 1.069 1002 K CA -1.233 54.970 56.287 -0.139 0.000 0.941 1002 K CB -0.847 31.511 32.500 -0.237 0.000 1.023 1002 K HN 0.303 nan 8.250 nan 0.000 0.477 1003 F N 2.554 122.569 119.950 0.108 0.000 2.484 1003 F HA 0.077 4.603 4.527 -0.002 0.000 0.360 1003 F C 1.411 177.238 175.800 0.046 0.000 1.101 1003 F CA -0.031 58.010 58.000 0.069 0.000 1.251 1003 F CB 0.948 39.976 39.000 0.046 0.000 1.132 1003 F HN 0.471 nan 8.300 nan 0.000 0.570 1004 S N 2.430 118.252 115.700 0.204 0.000 2.585 1004 S HA 0.241 4.710 4.470 -0.002 0.000 0.273 1004 S C 1.341 176.003 174.600 0.103 0.000 1.339 1004 S CA 0.078 58.335 58.200 0.095 0.000 1.028 1004 S CB 1.218 64.418 63.200 0.001 0.000 0.906 1004 S HN 0.784 nan 8.310 nan 0.000 0.528 1005 E N 1.957 122.203 120.200 0.077 0.000 2.209 1005 E HA -0.163 4.186 4.350 -0.002 0.000 0.196 1005 E C 1.026 177.654 176.600 0.046 0.000 0.993 1005 E CA 1.614 58.055 56.400 0.068 0.000 0.819 1005 E CB -0.736 28.996 29.700 0.054 0.000 0.745 1005 E HN 0.897 nan 8.360 nan 0.000 0.477 1006 D N -0.527 119.888 120.400 0.025 0.000 2.388 1006 D HA 0.129 4.767 4.640 -0.002 0.000 0.221 1006 D C 0.236 176.514 176.300 -0.036 0.000 1.133 1006 D CA -0.136 53.865 54.000 0.002 0.000 0.831 1006 D CB -0.192 40.609 40.800 0.001 0.000 0.962 1006 D HN 0.371 nan 8.370 nan 0.000 0.502 1007 E N 1.103 121.264 120.200 -0.066 0.000 2.413 1007 E HA 0.097 4.446 4.350 -0.002 0.000 0.263 1007 E C -0.354 176.026 176.600 -0.367 0.000 1.015 1007 E CA 0.124 56.378 56.400 -0.243 0.000 0.916 1007 E CB 0.576 30.036 29.700 -0.400 0.000 0.947 1007 E HN 0.088 nan 8.360 nan 0.000 0.440 1008 R N 3.334 123.610 120.500 -0.373 0.000 2.445 1008 R HA 0.325 4.664 4.340 -0.002 0.000 0.308 1008 R C -0.893 175.146 176.300 -0.435 0.000 0.961 1008 R CA -0.669 55.249 56.100 -0.304 0.000 0.862 1008 R CB 1.089 31.318 30.300 -0.119 0.000 1.144 1008 R HN 0.531 nan 8.270 nan 0.000 0.447 1009 Y N 1.013 121.265 120.300 -0.080 0.000 2.519 1009 Y HA 0.233 4.782 4.550 -0.002 0.000 0.324 1009 Y C 0.398 176.236 175.900 -0.104 0.000 1.214 1009 Y CA -1.047 56.997 58.100 -0.094 0.000 1.260 1009 Y CB 0.695 39.055 38.460 -0.166 0.000 1.311 1009 Y HN 0.344 nan 8.280 nan 0.000 0.505 1010 L N 2.158 123.437 121.223 0.093 0.000 2.628 1010 L HA 0.201 4.540 4.340 -0.002 0.000 0.274 1010 L C 1.034 177.763 176.870 -0.235 0.000 1.209 1010 L CA 1.618 56.468 54.840 0.017 0.000 0.930 1010 L CB -0.546 41.536 42.059 0.038 0.000 1.183 1010 L HN 0.883 nan 8.230 nan 0.000 0.492 1011 G N 2.895 111.450 108.800 -0.409 0.000 2.176 1011 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.253 1011 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.253 1011 G C 0.442 174.780 174.900 -0.937 0.000 0.979 1011 G CA 0.219 44.751 45.100 -0.946 0.000 0.641 1011 G HN 0.881 nan 8.290 nan 0.000 0.530 1012 N N 0.469 118.869 118.700 -0.500 0.000 2.421 1012 N HA 0.321 5.060 4.740 -0.002 0.000 0.260 1012 N C -0.016 175.422 175.510 -0.119 0.000 1.173 1012 N CA -0.344 52.554 53.050 -0.254 0.000 0.960 1012 N CB -0.121 38.306 38.487 -0.100 0.000 1.273 1012 N HN 0.190 nan 8.380 nan 0.000 0.497 1013 Y N 0.931 121.215 120.300 -0.027 0.000 2.708 1013 Y HA 0.117 4.666 4.550 -0.002 0.000 0.287 1013 Y C 1.934 177.813 175.900 -0.035 0.000 1.145 1013 Y CA -0.700 57.394 58.100 -0.009 0.000 1.249 1013 Y CB -0.642 37.860 38.460 0.071 0.000 1.152 1013 Y HN 0.560 nan 8.280 nan 0.000 0.532 1014 S N -0.963 114.794 115.700 0.096 0.000 2.474 1014 S HA 0.039 4.508 4.470 -0.002 0.000 0.235 1014 S C 1.492 176.097 174.600 0.009 0.000 0.997 1014 S CA 0.640 58.874 58.200 0.057 0.000 0.949 1014 S CB -0.005 63.224 63.200 0.048 0.000 0.766 1014 S HN 0.273 nan 8.310 nan 0.000 0.517 1015 A N 1.654 124.436 122.820 -0.063 0.000 2.793 1015 A HA 0.532 4.851 4.320 -0.002 0.000 0.301 1015 A C 0.642 177.874 177.584 -0.587 0.000 1.172 1015 A CA -0.202 51.720 52.037 -0.192 0.000 0.973 1015 A CB -0.321 18.672 19.000 -0.012 0.000 1.164 1015 A HN 0.548 nan 8.150 nan 0.000 0.542 1016 T N -4.253 109.919 114.554 -0.637 0.000 2.949 1016 T HA 0.650 4.999 4.350 -0.002 0.000 0.287 1016 T C 0.531 174.681 174.700 -0.917 0.000 1.034 1016 T CA -0.025 61.682 62.100 -0.655 0.000 1.018 1016 T CB 1.867 70.575 68.868 -0.267 0.000 1.135 1016 T HN 0.612 nan 8.240 nan 0.000 0.532 1017 A N 0.040 122.475 122.820 -0.641 0.000 2.507 1017 A HA 0.369 4.688 4.320 -0.002 0.000 0.270 1017 A C -0.161 177.310 177.584 -0.188 0.000 1.318 1017 A CA -1.049 50.816 52.037 -0.286 0.000 0.924 1017 A CB -0.851 18.103 19.000 -0.077 0.000 1.061 1017 A HN 0.776 nan 8.150 nan 0.000 0.516 1018 W N 0.333 121.583 121.300 -0.083 0.000 2.216 1018 W HA 0.343 5.002 4.660 -0.002 0.000 0.326 1018 W C 0.918 177.460 176.519 0.039 0.000 1.319 1018 W CA -0.171 57.168 57.345 -0.011 0.000 1.213 1018 W CB 0.664 30.123 29.460 -0.000 0.000 1.171 1018 W HN 0.384 nan 8.180 nan 0.000 0.557 1019 E N 0.573 120.971 120.200 0.331 0.000 2.535 1019 E HA -0.026 4.323 4.350 -0.002 0.000 0.216 1019 E C -0.413 176.299 176.600 0.187 0.000 0.845 1019 E CA -0.042 56.485 56.400 0.212 0.000 1.306 1019 E CB 0.249 30.027 29.700 0.130 0.000 1.291 1019 E HN 0.477 nan 8.360 nan 0.000 0.635 1020 D N 2.893 123.446 120.400 0.254 0.000 2.487 1020 D HA -0.024 4.615 4.640 -0.002 0.000 0.243 1020 D C 0.950 177.303 176.300 0.088 0.000 1.154 1020 D CA 0.499 54.600 54.000 0.169 0.000 0.876 1020 D CB 1.215 42.167 40.800 0.254 0.000 1.161 1020 D HN 0.042 nan 8.370 nan 0.000 0.478 1021 K N 1.882 122.299 120.400 0.029 0.000 2.097 1021 K HA -0.143 4.176 4.320 -0.002 0.000 0.206 1021 K C 1.047 177.630 176.600 -0.028 0.000 1.049 1021 K CA 0.892 57.182 56.287 0.006 0.000 0.933 1021 K CB 0.142 32.638 32.500 -0.006 0.000 0.717 1021 K HN 0.360 nan 8.250 nan 0.000 0.442 1022 D N 0.881 121.240 120.400 -0.068 0.000 2.144 1022 D HA -0.119 4.520 4.640 -0.002 0.000 0.199 1022 D C 1.838 178.063 176.300 -0.125 0.000 0.984 1022 D CA 1.190 55.125 54.000 -0.108 0.000 0.834 1022 D CB -0.099 40.596 40.800 -0.176 0.000 0.955 1022 D HN 0.209 nan 8.370 nan 0.000 0.465 1023 A N 0.646 123.383 122.820 -0.138 0.000 1.897 1023 A HA -0.066 4.253 4.320 -0.002 0.000 0.215 1023 A C 2.381 179.840 177.584 -0.209 0.000 1.181 1023 A CA 0.638 52.515 52.037 -0.266 0.000 0.620 1023 A CB -0.672 18.093 19.000 -0.393 0.000 0.821 1023 A HN 0.183 nan 8.150 nan 0.000 0.443 1024 L N -0.350 120.828 121.223 -0.076 0.000 2.079 1024 L HA -0.208 4.131 4.340 -0.002 0.000 0.210 1024 L C 1.985 178.854 176.870 -0.000 0.000 1.081 1024 L CA 1.456 56.288 54.840 -0.014 0.000 0.752 1024 L CB -0.725 41.357 42.059 0.037 0.000 0.896 1024 L HN 0.310 nan 8.230 nan 0.000 0.433 1025 D N 0.239 120.632 120.400 -0.010 0.000 2.144 1025 D HA -0.130 4.509 4.640 -0.002 0.000 0.200 1025 D C 2.248 178.568 176.300 0.034 0.000 0.978 1025 D CA 1.469 55.472 54.000 0.004 0.000 0.833 1025 D CB 0.021 40.813 40.800 -0.013 0.000 0.961 1025 D HN 0.308 nan 8.370 nan 0.000 0.470 1026 A N 0.707 123.547 122.820 0.034 0.000 1.898 1026 A HA -0.120 4.199 4.320 -0.002 0.000 0.216 1026 A C 2.365 180.117 177.584 0.279 0.000 1.181 1026 A CA 0.772 52.888 52.037 0.132 0.000 0.620 1026 A CB -0.668 18.370 19.000 0.063 0.000 0.819 1026 A HN 0.174 nan 8.150 nan 0.000 0.442 1027 I N 0.223 120.928 120.570 0.225 0.000 2.179 1027 I HA -0.293 3.876 4.170 -0.002 0.000 0.242 1027 I C 2.159 178.317 176.117 0.068 0.000 1.088 1027 I CA 1.262 62.653 61.300 0.152 0.000 1.357 1027 I CB -0.466 37.615 38.000 0.135 0.000 1.051 1027 I HN 0.307 nan 8.210 nan 0.000 0.409 1028 N N 0.993 119.722 118.700 0.050 0.000 2.069 1028 N HA -0.186 4.553 4.740 -0.002 0.000 0.191 1028 N C 1.905 177.427 175.510 0.019 0.000 1.031 1028 N CA 1.401 54.460 53.050 0.015 0.000 0.852 1028 N CB -0.410 38.086 38.487 0.014 0.000 1.018 1028 N HN 0.355 nan 8.380 nan 0.000 0.423 1029 R N -0.439 120.100 120.500 0.065 0.000 2.096 1029 R HA -0.086 4.253 4.340 -0.002 0.000 0.235 1029 R C 2.015 178.384 176.300 0.116 0.000 1.127 1029 R CA 0.887 57.035 56.100 0.079 0.000 0.968 1029 R CB -0.420 29.939 30.300 0.099 0.000 0.861 1029 R HN 0.210 nan 8.270 nan 0.000 0.440 1030 F N 2.175 122.086 119.950 -0.065 0.000 2.113 1030 F HA -0.149 4.377 4.527 -0.002 0.000 0.297 1030 F C 2.058 177.753 175.800 -0.174 0.000 1.103 1030 F CA 1.476 59.389 58.000 -0.145 0.000 1.248 1030 F CB -0.416 38.324 39.000 -0.434 0.000 0.999 1030 F HN -0.072 nan 8.300 nan 0.000 0.475 1031 Q N -0.056 119.559 119.800 -0.309 0.000 2.096 1031 Q HA -0.215 4.124 4.340 -0.002 0.000 0.204 1031 Q C 1.793 177.647 176.000 -0.243 0.000 0.982 1031 Q CA 1.815 57.384 55.803 -0.391 0.000 0.850 1031 Q CB -0.310 28.267 28.738 -0.269 0.000 0.901 1031 Q HN 0.400 nan 8.270 nan 0.000 0.422 1032 D N -0.134 120.189 120.400 -0.129 0.000 2.178 1032 D HA -0.129 4.510 4.640 -0.002 0.000 0.202 1032 D C 1.830 178.086 176.300 -0.074 0.000 0.974 1032 D CA 0.948 54.898 54.000 -0.084 0.000 0.841 1032 D CB -0.160 40.617 40.800 -0.038 0.000 0.953 1032 D HN 0.000 nan 8.370 nan 0.000 0.478 1033 K N 0.551 120.918 120.400 -0.056 0.000 2.057 1033 K HA -0.024 4.295 4.320 -0.002 0.000 0.206 1033 K C 2.401 178.957 176.600 -0.074 0.000 1.050 1033 K CA 0.381 56.656 56.287 -0.020 0.000 0.935 1033 K CB -0.832 31.706 32.500 0.063 0.000 0.715 1033 K HN 0.236 nan 8.250 nan 0.000 0.439 1034 L N 0.683 121.790 121.223 -0.195 0.000 2.083 1034 L HA -0.097 4.241 4.340 -0.002 0.000 0.209 1034 L C 2.969 179.749 176.870 -0.150 0.000 1.083 1034 L CA 2.201 56.909 54.840 -0.220 0.000 0.752 1034 L CB -0.494 41.316 42.059 -0.414 0.000 0.899 1034 L HN 0.508 nan 8.230 nan 0.000 0.433 1035 E N 0.177 120.291 120.200 -0.144 0.000 2.072 1035 E HA -0.227 4.122 4.350 -0.002 0.000 0.191 1035 E C 1.632 178.191 176.600 -0.070 0.000 0.985 1035 E CA 1.209 57.545 56.400 -0.107 0.000 0.801 1035 E CB 0.149 29.789 29.700 -0.099 0.000 0.750 1035 E HN 0.415 nan 8.360 nan 0.000 0.452 1036 D N 0.590 120.958 120.400 -0.054 0.000 2.097 1036 D HA -0.166 4.473 4.640 -0.002 0.000 0.195 1036 D C 2.067 178.356 176.300 -0.019 0.000 0.989 1036 D CA 1.032 55.015 54.000 -0.028 0.000 0.827 1036 D CB -0.187 40.605 40.800 -0.014 0.000 0.966 1036 D HN 0.314 nan 8.370 nan 0.000 0.456 1037 I N 0.903 121.462 120.570 -0.017 0.000 2.226 1037 I HA -0.255 3.914 4.170 -0.002 0.000 0.245 1037 I C 2.430 178.543 176.117 -0.007 0.000 1.100 1037 I CA 0.716 62.018 61.300 0.003 0.000 1.374 1037 I CB -0.123 37.886 38.000 0.016 0.000 1.057 1037 I HN -0.104 nan 8.210 nan 0.000 0.413 1038 S N 0.723 116.402 115.700 -0.035 0.000 2.359 1038 S HA -0.258 4.211 4.470 -0.002 0.000 0.223 1038 S C 1.955 176.532 174.600 -0.039 0.000 1.039 1038 S CA 1.604 59.776 58.200 -0.046 0.000 1.042 1038 S CB -0.274 62.881 63.200 -0.075 0.000 0.915 1038 S HN 0.383 nan 8.310 nan 0.000 0.439 1039 K N 0.909 121.287 120.400 -0.037 0.000 2.097 1039 K HA -0.043 4.276 4.320 -0.002 0.000 0.206 1039 K C 2.193 178.781 176.600 -0.019 0.000 1.049 1039 K CA 1.072 57.341 56.287 -0.031 0.000 0.933 1039 K CB -0.107 32.376 32.500 -0.029 0.000 0.717 1039 K HN 0.261 nan 8.250 nan 0.000 0.442 1040 K N 0.627 121.022 120.400 -0.009 0.000 2.097 1040 K HA -0.062 4.257 4.320 -0.002 0.000 0.205 1040 K C 2.049 178.652 176.600 0.005 0.000 1.050 1040 K CA 1.073 57.362 56.287 0.003 0.000 0.938 1040 K CB -0.059 32.450 32.500 0.014 0.000 0.718 1040 K HN 0.105 nan 8.250 nan 0.000 0.442 1041 I N 1.281 121.854 120.570 0.006 0.000 2.252 1041 I HA -0.276 3.893 4.170 -0.002 0.000 0.245 1041 I C 2.073 178.179 176.117 -0.018 0.000 1.102 1041 I CA 1.324 62.630 61.300 0.009 0.000 1.385 1041 I CB -0.138 37.878 38.000 0.026 0.000 1.064 1041 I HN 0.097 nan 8.210 nan 0.000 0.414 1042 K N 0.515 120.898 120.400 -0.029 0.000 2.057 1042 K HA -0.226 4.093 4.320 -0.002 0.000 0.207 1042 K C 2.156 178.736 176.600 -0.033 0.000 1.049 1042 K CA 1.462 57.725 56.287 -0.040 0.000 0.931 1042 K CB -0.206 32.267 32.500 -0.045 0.000 0.714 1042 K HN 0.397 nan 8.250 nan 0.000 0.440 1043 Q N 0.258 120.044 119.800 -0.023 0.000 2.084 1043 Q HA -0.147 4.192 4.340 -0.002 0.000 0.202 1043 Q C 2.276 178.265 176.000 -0.018 0.000 0.978 1043 Q CA 1.050 56.843 55.803 -0.017 0.000 0.844 1043 Q CB -0.104 28.629 28.738 -0.008 0.000 0.898 1043 Q HN 0.161 nan 8.270 nan 0.000 0.426 1044 R N 1.053 121.541 120.500 -0.020 0.000 2.073 1044 R HA -0.129 4.210 4.340 -0.002 0.000 0.234 1044 R C 1.452 177.709 176.300 -0.071 0.000 1.134 1044 R CA 1.444 57.524 56.100 -0.033 0.000 0.952 1044 R CB -0.343 29.941 30.300 -0.027 0.000 0.850 1044 R HN 0.297 nan 8.270 nan 0.000 0.433 1045 N N 1.319 119.973 118.700 -0.077 0.000 2.289 1045 N HA -0.134 4.605 4.740 -0.002 0.000 0.184 1045 N C 1.489 176.966 175.510 -0.055 0.000 1.016 1045 N CA 1.105 54.103 53.050 -0.087 0.000 0.872 1045 N CB -0.185 38.256 38.487 -0.077 0.000 0.973 1045 N HN 0.444 nan 8.380 nan 0.000 0.433 1046 E N 0.420 120.597 120.200 -0.039 0.000 2.160 1046 E HA -0.101 4.248 4.350 -0.002 0.000 0.195 1046 E C 0.333 176.924 176.600 -0.015 0.000 0.991 1046 E CA 0.775 57.160 56.400 -0.025 0.000 0.810 1046 E CB -0.132 29.557 29.700 -0.018 0.000 0.742 1046 E HN 0.401 nan 8.360 nan 0.000 0.466 1047 N N 0.420 119.113 118.700 -0.011 0.000 2.276 1047 N HA 0.124 4.863 4.740 -0.002 0.000 0.212 1047 N C -0.211 175.312 175.510 0.021 0.000 1.127 1047 N CA 0.268 53.324 53.050 0.009 0.000 0.834 1047 N CB 0.614 39.112 38.487 0.018 0.000 1.014 1047 N HN 0.098 nan 8.380 nan 0.000 0.491 1048 L N 0.443 121.667 121.223 0.002 0.000 2.331 1048 L HA 0.280 4.619 4.340 -0.002 0.000 0.275 1048 L C 1.458 178.357 176.870 0.048 0.000 1.022 1048 L CA -0.554 54.305 54.840 0.032 0.000 0.812 1048 L CB 1.895 43.938 42.059 -0.027 0.000 1.257 1048 L HN -0.064 nan 8.230 nan 0.000 0.435 1049 E N 1.195 121.456 120.200 0.101 0.000 2.110 1049 E HA -0.100 4.249 4.350 -0.002 0.000 0.193 1049 E C -0.254 176.329 176.600 -0.027 0.000 0.988 1049 E CA 1.072 57.510 56.400 0.062 0.000 0.804 1049 E CB 0.215 30.017 29.700 0.169 0.000 0.745 1049 E HN 0.293 nan 8.360 nan 0.000 0.458 1050 V N 2.529 122.451 119.914 0.013 0.000 2.385 1050 V HA 0.201 4.320 4.120 -0.002 0.000 0.277 1050 V C -2.474 173.665 176.094 0.075 0.000 1.012 1050 V CA -1.775 60.502 62.300 -0.038 0.000 0.832 1050 V CB 1.137 32.854 31.823 -0.177 0.000 1.028 1050 V HN -0.014 nan 8.190 nan 0.000 0.436 1051 P HA -0.021 nan 4.420 nan 0.000 0.264 1051 P C -0.961 176.336 177.300 -0.006 0.000 1.183 1051 P CA 0.252 63.335 63.100 -0.028 0.000 0.763 1051 P CB 0.191 31.850 31.700 -0.068 0.000 0.807 1052 Y N 4.663 124.876 120.300 -0.146 0.000 2.434 1052 Y HA 0.337 4.886 4.550 -0.002 0.000 0.341 1052 Y C 1.048 176.796 175.900 -0.254 0.000 0.965 1052 Y CA -0.233 57.764 58.100 -0.173 0.000 1.205 1052 Y CB 0.113 38.601 38.460 0.048 0.000 1.121 1052 Y HN 0.304 nan 8.280 nan 0.000 0.507 1053 I N 1.385 121.457 120.570 -0.830 0.000 4.082 1053 I HA 0.103 4.271 4.170 -0.002 0.000 0.337 1053 I C 0.203 176.052 176.117 -0.447 0.000 1.352 1053 I CA -0.090 60.919 61.300 -0.485 0.000 1.097 1053 I CB -0.122 37.685 38.000 -0.322 0.000 1.048 1053 I HN 0.481 nan 8.210 nan 0.000 0.393 1054 Y N 1.386 121.416 120.300 -0.451 0.000 2.497 1054 Y HA 0.133 4.681 4.550 -0.002 0.000 0.292 1054 Y C 1.786 177.668 175.900 -0.030 0.000 1.137 1054 Y CA 0.493 58.477 58.100 -0.194 0.000 1.285 1054 Y CB 0.076 38.400 38.460 -0.226 0.000 0.991 1054 Y HN 0.206 nan 8.280 nan 0.000 0.556 1055 L N 0.458 121.720 121.223 0.066 0.000 2.965 1055 L HA 0.217 4.556 4.340 -0.002 0.000 0.254 1055 L C -0.279 176.651 176.870 0.102 0.000 1.220 1055 L CA -0.171 54.777 54.840 0.181 0.000 1.023 1055 L CB 0.196 42.458 42.059 0.337 0.000 1.355 1055 L HN 0.147 nan 8.230 nan 0.000 0.545 1056 L N 1.497 122.731 121.223 0.018 0.000 2.455 1056 L HA 0.056 4.395 4.340 -0.002 0.000 0.272 1056 L C -1.100 175.747 176.870 -0.039 0.000 1.174 1056 L CA -1.214 53.608 54.840 -0.030 0.000 0.869 1056 L CB 0.860 42.863 42.059 -0.093 0.000 1.130 1056 L HN -0.113 nan 8.230 nan 0.000 0.474 1057 P HA -0.217 nan 4.420 nan 0.000 0.217 1057 P C 1.052 178.292 177.300 -0.101 0.000 1.148 1057 P CA 1.048 64.114 63.100 -0.057 0.000 0.828 1057 P CB 0.089 31.726 31.700 -0.106 0.000 0.783 1058 E N -0.199 119.882 120.200 -0.199 0.000 2.478 1058 E HA -0.128 4.221 4.350 -0.002 0.000 0.198 1058 E C 1.250 177.388 176.600 -0.770 0.000 1.046 1058 E CA 0.873 57.042 56.400 -0.384 0.000 0.870 1058 E CB -0.377 29.120 29.700 -0.338 0.000 0.818 1058 E HN 0.343 nan 8.360 nan 0.000 0.527 1059 R N 0.272 120.497 120.500 -0.458 0.000 2.476 1059 R HA 0.394 4.733 4.340 -0.002 0.000 0.276 1059 R C 0.322 176.598 176.300 -0.041 0.000 0.941 1059 R CA -0.155 55.651 56.100 -0.489 0.000 1.088 1059 R CB 0.775 30.944 30.300 -0.218 0.000 1.216 1059 R HN 0.087 nan 8.270 nan 0.000 0.533 1060 I N 3.158 123.821 120.570 0.155 0.000 2.307 1060 I HA 0.250 4.419 4.170 -0.002 0.000 0.289 1060 I C -2.325 174.020 176.117 0.379 0.000 1.021 1060 I CA -2.516 58.962 61.300 0.297 0.000 1.224 1060 I CB 1.487 39.613 38.000 0.209 0.000 1.376 1060 I HN -0.318 nan 8.210 nan 0.000 0.470 1061 P HA 0.104 nan 4.420 nan 0.000 0.272 1061 P C 0.239 177.659 177.300 0.199 0.000 1.223 1061 P CA -0.213 62.956 63.100 0.115 0.000 0.784 1061 P CB 0.609 32.439 31.700 0.218 0.000 0.923 1062 N N 0.113 118.880 118.700 0.112 0.000 2.289 1062 N HA -0.068 4.671 4.740 -0.002 0.000 0.184 1062 N C 1.053 176.766 175.510 0.338 0.000 1.016 1062 N CA 1.203 54.398 53.050 0.241 0.000 0.872 1062 N CB -0.204 38.309 38.487 0.044 0.000 0.973 1062 N HN 0.530 nan 8.380 nan 0.000 0.433 1063 G N -1.787 107.147 108.800 0.223 0.000 3.015 1063 G HA2 0.417 4.376 3.960 -0.002 0.000 0.281 1063 G HA3 0.417 4.376 3.960 -0.002 0.000 0.281 1063 G C -1.172 173.843 174.900 0.192 0.000 1.386 1063 G CA -0.342 44.866 45.100 0.181 0.000 0.959 1063 G HN -0.071 nan 8.290 nan 0.000 0.522 1064 T N 0.873 115.469 114.554 0.069 0.000 2.910 1064 T HA 0.515 4.864 4.350 -0.002 0.000 0.323 1064 T C 0.668 175.274 174.700 -0.157 0.000 1.091 1064 T CA 0.452 62.387 62.100 -0.276 0.000 0.960 1064 T CB 0.998 69.606 68.868 -0.434 0.000 1.024 1064 T HN 0.827 nan 8.240 nan 0.000 0.509 1065 A N 3.362 126.204 122.820 0.037 0.000 2.551 1065 A HA 0.654 4.973 4.320 -0.002 0.000 0.252 1065 A C 0.121 177.916 177.584 0.352 0.000 1.199 1065 A CA -0.069 52.085 52.037 0.195 0.000 0.972 1065 A CB 0.340 19.428 19.000 0.147 0.000 1.153 1065 A HN 0.611 nan 8.150 nan 0.000 0.559 1066 I N 0.000 120.798 120.570 0.380 0.000 2.984 1066 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 1066 I CA 0.000 61.571 61.300 0.451 0.000 1.566 1066 I CB 0.000 38.226 38.000 0.376 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494