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 3k71_1_B DATA FIRST_RESID 1 DATA SEQUENCE QEcTKFKVSS cREcIESGPG cTWcQKLNFT GPGDPDSIRc DTRPQLLMRG DATA SEQUENCE cAADDIMDPT SLAETQEDHN GGQKQLSPQK VTLYLRPGQA AAFNVTFRRA DATA SEQUENCE KGYPIDLYYL MDLSYSMLDD LRNVKKLGGD LLRALNEITE SGRIGFGSFV DATA SEQUENCE DKTVLPFVNT HPDKLRNPcP NKEKEcQPPF AFRHVLKLTN NSNQFQTEVG DATA SEQUENCE KQLISGNLDA PEGGLDAMMQ VAAcPEEIGW RNVTRLLVFA TDDGFHFAGD DATA SEQUENCE GKLGAILTPN DGRcHLEDNL YKRSNEFDYP SVGQLAHKLA ENNIQPIFAV DATA SEQUENCE TSRMVKTYEK LTEIIPKSAV GELSEDSSNV VQLIKNAYNK LSSRVFLDHN DATA SEQUENCE ALPDTLKVTY DSFcSNGVTH RNQPRGDcDG VQINVPITFQ VKVTATEcIQ DATA SEQUENCE EQSFVIRALG FTDIVTVQVL PQcEcRcRDQ SRDRSLcHGK GFLEcGIcRc DATA SEQUENCE DTGYIGKNcE cQTQGRSSQE LEGScRKDNN SIIcSGLGDc VcGQcLcHTS DATA SEQUENCE DVPGKLIYGQ YcEcDTINcE RYNGQVcGGP GRGLcFcGKc RcHPGFEGSA DATA SEQUENCE cQcERTTEGc LNPRRVEcSG RGRcRcNVcE cHSGYQLPLc QECPGCPSPc DATA SEQUENCE GKYIScAEcL KFEKGPFGKN cSAAcPGLQL SNNPVKGRTc KERDSEGcWV DATA SEQUENCE AYTLEQQDGM DRYLIYVDES REc 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.006 176.000 0.009 0.000 1.003 1 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 1 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 2 E N 0.176 120.380 120.200 0.007 0.000 2.481 2 E HA 0.534 5.042 4.350 0.264 0.000 0.301 2 E C -1.638 174.963 176.600 0.001 0.000 0.948 2 E CA -0.676 55.726 56.400 0.004 0.000 0.804 2 E CB 1.710 31.409 29.700 -0.002 0.000 1.265 2 E HN 0.285 nan 8.360 nan 0.000 0.406 3 c N 3.030 121.633 118.600 0.005 0.000 3.096 3 c HA 0.354 5.082 4.570 0.264 0.000 0.391 3 c C -0.975 173.125 174.090 0.017 0.000 1.085 3 c CA 0.011 56.343 56.329 0.006 0.000 1.289 3 c CB 0.308 42.831 42.510 0.022 0.000 1.685 3 c HN 0.793 nan 8.230 nan 0.000 0.515 4 T N 5.058 119.611 114.554 -0.002 0.000 2.799 4 T HA 0.343 4.851 4.350 0.264 0.000 0.286 4 T C -0.187 174.542 174.700 0.047 0.000 0.973 4 T CA -0.315 61.802 62.100 0.028 0.000 1.035 4 T CB 1.061 69.936 68.868 0.011 0.000 0.932 4 T HN 0.650 nan 8.240 nan 0.000 0.469 5 K N 2.595 123.059 120.400 0.107 0.000 2.349 5 K HA 0.286 4.764 4.320 0.264 0.000 0.289 5 K C -0.342 176.352 176.600 0.157 0.000 1.064 5 K CA -0.353 56.013 56.287 0.132 0.000 0.947 5 K CB 0.445 33.028 32.500 0.138 0.000 1.007 5 K HN 0.468 nan 8.250 nan 0.000 0.478 6 F N 2.375 122.295 119.950 -0.051 0.000 2.348 6 F HA 0.161 4.846 4.527 0.264 0.000 0.308 6 F C 0.685 176.437 175.800 -0.080 0.000 1.175 6 F CA -0.797 57.108 58.000 -0.158 0.000 1.080 6 F CB 0.636 39.544 39.000 -0.154 0.000 1.341 6 F HN 0.290 nan 8.300 nan 0.000 0.518 7 K N 2.064 121.797 120.400 -1.111 0.000 2.366 7 K HA 0.140 4.618 4.320 0.264 0.000 0.272 7 K C -1.435 175.132 176.600 -0.055 0.000 1.151 7 K CA 0.033 56.013 56.287 -0.511 0.000 1.173 7 K CB -0.395 31.720 32.500 -0.642 0.000 0.853 7 K HN 0.432 nan 8.250 nan 0.000 0.473 8 V N 4.574 124.498 119.914 0.017 0.000 2.304 8 V HA 0.040 4.318 4.120 0.264 0.000 0.269 8 V C 0.817 176.955 176.094 0.073 0.000 1.036 8 V CA -0.134 62.222 62.300 0.093 0.000 0.840 8 V CB 0.877 32.810 31.823 0.183 0.000 1.036 8 V HN 0.882 nan 8.190 nan 0.000 0.466 9 S N 3.314 119.030 115.700 0.027 0.000 2.514 9 S HA 0.168 4.796 4.470 0.264 0.000 0.223 9 S C 0.916 175.494 174.600 -0.037 0.000 1.046 9 S CA 0.599 58.806 58.200 0.011 0.000 0.914 9 S CB 0.327 63.530 63.200 0.005 0.000 0.807 9 S HN 0.870 nan 8.310 nan 0.000 0.497 10 S N -0.363 115.243 115.700 -0.157 0.000 2.840 10 S HA 0.319 4.947 4.470 0.264 0.000 0.307 10 S C 1.282 175.336 174.600 -0.910 0.000 1.180 10 S CA -0.125 57.856 58.200 -0.366 0.000 0.846 10 S CB 0.468 63.531 63.200 -0.228 0.000 1.233 10 S HN 0.596 nan 8.310 nan 0.000 0.548 11 c N 0.089 117.945 118.600 -1.240 0.000 2.446 11 c HA 0.226 4.954 4.570 0.264 0.000 0.279 11 c C 2.583 176.251 174.090 -0.702 0.000 1.366 11 c CA 0.991 56.290 56.329 -1.717 0.000 1.763 11 c CB -1.634 39.992 42.510 -1.473 0.000 1.929 11 c HN 0.970 nan 8.230 nan 0.000 0.509 12 R N 1.299 121.545 120.500 -0.423 0.000 2.073 12 R HA -0.048 4.450 4.340 0.264 0.000 0.229 12 R C 2.243 178.455 176.300 -0.146 0.000 1.120 12 R CA 1.613 57.585 56.100 -0.214 0.000 0.967 12 R CB -0.359 29.857 30.300 -0.140 0.000 0.862 12 R HN 0.645 nan 8.270 nan 0.000 0.436 13 E N -0.292 119.825 120.200 -0.137 0.000 2.409 13 E HA -0.175 4.333 4.350 0.264 0.000 0.198 13 E C 1.842 178.454 176.600 0.021 0.000 1.024 13 E CA 0.689 57.078 56.400 -0.019 0.000 0.861 13 E CB -0.023 29.695 29.700 0.031 0.000 0.788 13 E HN 0.406 nan 8.360 nan 0.000 0.521 14 c N 0.458 119.034 118.600 -0.040 0.000 2.485 14 c HA 0.027 4.755 4.570 0.264 0.000 0.278 14 c C 2.281 176.397 174.090 0.044 0.000 1.356 14 c CA -0.098 56.280 56.329 0.082 0.000 1.747 14 c CB -0.533 42.132 42.510 0.259 0.000 2.001 14 c HN 0.284 nan 8.230 nan 0.000 0.501 15 I N 1.348 121.905 120.570 -0.021 0.000 2.315 15 I HA -0.059 4.269 4.170 0.264 0.000 0.248 15 I C 2.181 178.273 176.117 -0.041 0.000 1.117 15 I CA 1.434 62.720 61.300 -0.024 0.000 1.404 15 I CB -1.525 36.446 38.000 -0.048 0.000 1.071 15 I HN 0.485 nan 8.210 nan 0.000 0.419 16 E N 0.275 120.441 120.200 -0.057 0.000 2.485 16 E HA -0.008 4.500 4.350 0.264 0.000 0.194 16 E C 1.713 178.228 176.600 -0.141 0.000 1.098 16 E CA 0.060 56.399 56.400 -0.102 0.000 0.878 16 E CB 0.100 29.729 29.700 -0.118 0.000 0.939 16 E HN 0.331 nan 8.360 nan 0.000 0.503 17 S N -0.299 115.353 115.700 -0.080 0.000 2.468 17 S HA 0.212 4.840 4.470 0.264 0.000 0.226 17 S C 0.726 175.243 174.600 -0.138 0.000 1.051 17 S CA 0.442 58.586 58.200 -0.094 0.000 0.943 17 S CB 0.946 64.149 63.200 0.005 0.000 0.810 17 S HN 0.413 nan 8.310 nan 0.000 0.509 18 G N 0.490 109.236 108.800 -0.090 0.000 2.316 18 G HA2 0.343 4.462 3.960 0.264 0.000 0.296 18 G HA3 0.343 4.462 3.960 0.264 0.000 0.296 18 G C -2.919 171.955 174.900 -0.043 0.000 1.399 18 G CA -0.775 44.274 45.100 -0.085 0.000 0.833 18 G HN -0.160 nan 8.290 nan 0.000 0.565 19 P HA 0.034 nan 4.420 nan 0.000 0.215 19 P C 1.796 179.094 177.300 -0.005 0.000 1.157 19 P CA 1.847 64.938 63.100 -0.016 0.000 0.868 19 P CB 0.135 31.827 31.700 -0.014 0.000 0.788 20 G N -1.574 107.222 108.800 -0.006 0.000 3.279 20 G HA2 0.040 4.158 3.960 0.264 0.000 0.230 20 G HA3 0.040 4.158 3.960 0.264 0.000 0.230 20 G C -0.195 174.712 174.900 0.011 0.000 1.230 20 G CA -0.118 44.983 45.100 0.003 0.000 0.891 20 G HN 0.272 nan 8.290 nan 0.000 0.518 21 c N 1.498 120.107 118.600 0.016 0.000 2.273 21 c HA 0.707 5.435 4.570 0.264 0.000 0.328 21 c C 0.766 174.891 174.090 0.059 0.000 1.275 21 c CA -0.681 55.671 56.329 0.038 0.000 1.704 21 c CB 0.104 42.636 42.510 0.038 0.000 2.326 21 c HN 0.516 nan 8.230 nan 0.000 0.517 22 T N 0.677 115.273 114.554 0.071 0.000 2.942 22 T HA 0.690 5.198 4.350 0.264 0.000 0.289 22 T C -0.926 173.870 174.700 0.160 0.000 1.044 22 T CA -0.623 61.531 62.100 0.090 0.000 1.023 22 T CB 1.919 70.809 68.868 0.036 0.000 1.123 22 T HN 0.823 nan 8.240 nan 0.000 0.512 23 W N 0.842 122.108 121.300 -0.057 0.000 2.915 23 W HA 0.600 5.419 4.660 0.264 0.000 0.337 23 W C -1.594 174.853 176.519 -0.120 0.000 1.102 23 W CA -1.419 55.879 57.345 -0.077 0.000 1.224 23 W CB 2.010 31.438 29.460 -0.053 0.000 1.416 23 W HN 0.963 nan 8.180 nan 0.000 0.503 24 c N 6.274 124.317 118.600 -0.929 0.000 2.351 24 c HA 0.285 5.013 4.570 0.264 0.000 0.326 24 c C 1.225 174.888 174.090 -0.712 0.000 1.272 24 c CA -0.186 55.704 56.329 -0.732 0.000 1.650 24 c CB 0.813 42.766 42.510 -0.928 0.000 2.257 24 c HN 0.798 nan 8.230 nan 0.000 0.505 25 Q N 3.246 122.903 119.800 -0.239 0.000 2.396 25 Q HA 0.104 4.602 4.340 0.264 0.000 0.209 25 Q C 0.591 176.552 176.000 -0.066 0.000 0.906 25 Q CA 0.029 55.821 55.803 -0.019 0.000 0.927 25 Q CB 0.067 28.868 28.738 0.104 0.000 1.069 25 Q HN 0.716 nan 8.270 nan 0.000 0.523 26 K N 1.985 122.303 120.400 -0.136 0.000 2.437 26 K HA 0.038 4.516 4.320 0.264 0.000 0.277 26 K C -0.383 176.215 176.600 -0.002 0.000 1.073 26 K CA -0.130 56.122 56.287 -0.057 0.000 1.105 26 K CB 0.318 32.787 32.500 -0.052 0.000 0.881 26 K HN 0.187 nan 8.250 nan 0.000 0.475 27 L N 3.757 124.997 121.223 0.029 0.000 2.468 27 L HA -0.074 4.424 4.340 0.264 0.000 0.253 27 L C 0.891 177.807 176.870 0.077 0.000 1.237 27 L CA -0.022 54.846 54.840 0.047 0.000 0.823 27 L CB 0.081 42.158 42.059 0.031 0.000 1.124 27 L HN 0.924 nan 8.230 nan 0.000 0.504 28 N N -0.454 118.281 118.700 0.057 0.000 2.681 28 N HA -0.309 4.589 4.740 0.264 0.000 0.250 28 N C 0.283 175.829 175.510 0.059 0.000 1.133 28 N CA 1.251 54.325 53.050 0.040 0.000 0.732 28 N CB -1.436 37.065 38.487 0.023 0.000 1.107 28 N HN 0.560 nan 8.380 nan 0.000 0.559 29 F N 0.572 120.485 119.950 -0.061 0.000 2.569 29 F HA 0.125 4.810 4.527 0.264 0.000 0.295 29 F C 0.780 176.535 175.800 -0.075 0.000 1.115 29 F CA 0.625 58.579 58.000 -0.076 0.000 1.450 29 F CB 0.429 39.361 39.000 -0.113 0.000 1.107 29 F HN -0.148 nan 8.300 nan 0.000 0.563 30 T N 1.713 116.288 114.554 0.036 0.000 2.779 30 T HA 0.396 4.904 4.350 0.264 0.000 0.296 30 T C 0.728 175.376 174.700 -0.086 0.000 0.938 30 T CA 0.012 62.094 62.100 -0.030 0.000 1.119 30 T CB 0.638 69.514 68.868 0.014 0.000 0.891 30 T HN 0.330 nan 8.240 nan 0.000 0.526 31 G N 3.985 112.711 108.800 -0.124 0.000 2.712 31 G HA2 0.210 4.328 3.960 0.264 0.000 0.258 31 G HA3 0.210 4.328 3.960 0.264 0.000 0.258 31 G C -1.224 173.640 174.900 -0.059 0.000 1.241 31 G CA -1.241 43.797 45.100 -0.104 0.000 0.923 31 G HN 0.403 nan 8.290 nan 0.000 0.548 32 P HA -0.081 nan 4.420 nan 0.000 0.217 32 P C 1.008 178.295 177.300 -0.022 0.000 1.158 32 P CA 2.180 65.263 63.100 -0.029 0.000 0.887 32 P CB 0.139 31.824 31.700 -0.025 0.000 0.792 33 G N -1.289 107.497 108.800 -0.024 0.000 4.632 33 G HA2 0.170 4.288 3.960 0.264 0.000 0.244 33 G HA3 0.170 4.288 3.960 0.264 0.000 0.244 33 G C -1.172 173.713 174.900 -0.024 0.000 1.070 33 G CA -0.212 44.877 45.100 -0.018 0.000 0.791 33 G HN -0.039 nan 8.290 nan 0.000 0.544 34 D N 1.191 121.571 120.400 -0.033 0.000 2.217 34 D HA 0.480 5.278 4.640 0.264 0.000 0.248 34 D C -2.218 174.061 176.300 -0.034 0.000 1.008 34 D CA -1.407 52.571 54.000 -0.037 0.000 0.914 34 D CB 2.090 42.858 40.800 -0.054 0.000 1.182 34 D HN 0.034 nan 8.370 nan 0.000 0.451 35 P HA 0.095 nan 4.420 nan 0.000 0.270 35 P C 0.248 177.545 177.300 -0.004 0.000 1.223 35 P CA -0.157 62.916 63.100 -0.045 0.000 0.785 35 P CB 0.750 32.405 31.700 -0.074 0.000 0.923 36 D N -0.341 120.068 120.400 0.014 0.000 2.323 36 D HA -0.080 4.718 4.640 0.264 0.000 0.209 36 D C 1.533 177.873 176.300 0.066 0.000 0.973 36 D CA 0.975 55.005 54.000 0.049 0.000 0.874 36 D CB -0.212 40.639 40.800 0.086 0.000 0.930 36 D HN 0.366 nan 8.370 nan 0.000 0.521 37 S N 0.577 116.315 115.700 0.063 0.000 2.555 37 S HA -0.070 4.558 4.470 0.264 0.000 0.230 37 S C 2.107 176.737 174.600 0.050 0.000 0.978 37 S CA -0.010 58.246 58.200 0.094 0.000 0.934 37 S CB -0.749 62.495 63.200 0.073 0.000 0.766 37 S HN 0.500 nan 8.310 nan 0.000 0.533 38 I N -0.898 119.686 120.570 0.024 0.000 2.676 38 I HA 0.050 4.378 4.170 0.264 0.000 0.259 38 I C 2.224 178.337 176.117 -0.007 0.000 1.194 38 I CA 0.510 61.837 61.300 0.044 0.000 1.473 38 I CB -0.351 37.698 38.000 0.082 0.000 1.096 38 I HN 0.092 nan 8.210 nan 0.000 0.443 39 R N 0.578 120.957 120.500 -0.201 0.000 2.237 39 R HA -0.004 4.494 4.340 0.264 0.000 0.219 39 R C 0.781 176.717 176.300 -0.607 0.000 1.080 39 R CA 0.731 56.445 56.100 -0.644 0.000 0.995 39 R CB -0.345 29.225 30.300 -1.217 0.000 0.875 39 R HN 0.449 nan 8.270 nan 0.000 0.462 40 c N 1.779 120.252 118.600 -0.211 0.000 2.184 40 c HA 0.304 5.032 4.570 0.264 0.000 0.328 40 c C -0.455 173.660 174.090 0.041 0.000 1.081 40 c CA -0.822 55.539 56.329 0.053 0.000 1.533 40 c CB -0.878 41.819 42.510 0.311 0.000 1.905 40 c HN 0.287 nan 8.230 nan 0.000 0.439 41 D N 1.564 121.964 120.400 0.000 0.000 2.831 41 D HA 0.531 5.329 4.640 0.264 0.000 0.240 41 D C -0.027 176.284 176.300 0.018 0.000 1.183 41 D CA 0.209 54.220 54.000 0.018 0.000 1.079 41 D CB 1.865 42.673 40.800 0.013 0.000 1.262 41 D HN 0.505 nan 8.370 nan 0.000 0.634 42 T N -1.751 112.812 114.554 0.015 0.000 2.922 42 T HA 0.333 4.841 4.350 0.264 0.000 0.285 42 T C 1.191 175.892 174.700 0.003 0.000 1.005 42 T CA -0.524 61.584 62.100 0.013 0.000 1.061 42 T CB 1.729 70.605 68.868 0.015 0.000 1.007 42 T HN 0.432 nan 8.240 nan 0.000 0.502 43 R N 1.307 121.808 120.500 0.002 0.000 2.113 43 R HA -0.092 4.406 4.340 0.264 0.000 0.244 43 R C -0.926 175.373 176.300 -0.002 0.000 1.142 43 R CA 1.802 57.900 56.100 -0.005 0.000 0.953 43 R CB -1.507 28.794 30.300 0.001 0.000 0.860 43 R HN 0.534 nan 8.270 nan 0.000 0.438 44 P HA -0.147 nan 4.420 nan 0.000 0.215 44 P C 0.950 178.258 177.300 0.013 0.000 1.157 44 P CA 1.186 64.292 63.100 0.009 0.000 0.868 44 P CB -0.085 31.621 31.700 0.010 0.000 0.788 45 Q N -0.596 119.213 119.800 0.016 0.000 2.124 45 Q HA -0.096 4.403 4.340 0.264 0.000 0.202 45 Q C 2.311 178.333 176.000 0.037 0.000 0.977 45 Q CA 1.218 57.037 55.803 0.026 0.000 0.850 45 Q CB -1.053 27.702 28.738 0.028 0.000 0.901 45 Q HN 0.358 nan 8.270 nan 0.000 0.429 46 L N 0.070 121.302 121.223 0.015 0.000 2.046 46 L HA -0.190 4.309 4.340 0.264 0.000 0.208 46 L C 2.403 179.293 176.870 0.034 0.000 1.077 46 L CA 0.933 55.774 54.840 0.002 0.000 0.747 46 L CB -0.511 41.500 42.059 -0.080 0.000 0.896 46 L HN 0.188 nan 8.230 nan 0.000 0.432 47 L N -1.043 120.191 121.223 0.019 0.000 2.156 47 L HA -0.194 4.304 4.340 0.264 0.000 0.208 47 L C 2.571 179.462 176.870 0.036 0.000 1.095 47 L CA 1.021 55.876 54.840 0.024 0.000 0.770 47 L CB -0.333 41.733 42.059 0.012 0.000 0.914 47 L HN 0.346 nan 8.230 nan 0.000 0.439 48 M N -0.392 119.228 119.600 0.035 0.000 2.374 48 M HA -0.144 4.494 4.480 0.264 0.000 0.264 48 M C 2.164 178.487 176.300 0.039 0.000 1.067 48 M CA 1.520 56.838 55.300 0.030 0.000 1.103 48 M CB 0.039 32.653 32.600 0.024 0.000 1.402 48 M HN 0.104 nan 8.290 nan 0.000 0.444 49 R N -0.788 119.755 120.500 0.073 0.000 2.210 49 R HA 0.152 4.650 4.340 0.264 0.000 0.203 49 R C 1.401 177.758 176.300 0.095 0.000 1.010 49 R CA 0.849 57.000 56.100 0.085 0.000 1.008 49 R CB 0.318 30.733 30.300 0.191 0.000 0.923 49 R HN 0.640 nan 8.270 nan 0.000 0.469 50 G N 0.295 109.175 108.800 0.134 0.000 2.480 50 G HA2 -0.246 3.872 3.960 0.264 0.000 0.193 50 G HA3 -0.246 3.872 3.960 0.264 0.000 0.193 50 G C 0.137 175.139 174.900 0.170 0.000 1.004 50 G CA -0.242 44.932 45.100 0.124 0.000 0.696 50 G HN 0.339 nan 8.290 nan 0.000 0.478 51 c N 3.269 122.023 118.600 0.257 0.000 2.409 51 c HA 0.518 5.246 4.570 0.264 0.000 0.398 51 c C 1.759 175.843 174.090 -0.010 0.000 1.507 51 c CA 0.284 56.635 56.329 0.037 0.000 1.460 51 c CB -1.458 40.901 42.510 -0.252 0.000 2.472 51 c HN 1.546 nan 8.230 nan 0.000 0.614 52 A N 5.337 128.150 122.820 -0.013 0.000 2.521 52 A HA 0.436 4.914 4.320 0.264 0.000 0.237 52 A C 1.368 178.935 177.584 -0.027 0.000 1.087 52 A CA 0.606 52.637 52.037 -0.011 0.000 0.777 52 A CB -0.004 18.991 19.000 -0.007 0.000 1.035 52 A HN 1.776 nan 8.150 nan 0.000 0.510 53 A N 0.450 123.262 122.820 -0.014 0.000 1.897 53 A HA -0.037 4.442 4.320 0.264 0.000 0.215 53 A C 1.421 178.997 177.584 -0.014 0.000 1.181 53 A CA 1.733 53.761 52.037 -0.014 0.000 0.620 53 A CB -0.601 18.396 19.000 -0.006 0.000 0.821 53 A HN 0.909 nan 8.150 nan 0.000 0.443 54 D N -0.580 119.814 120.400 -0.010 0.000 2.363 54 D HA -0.036 4.762 4.640 0.264 0.000 0.226 54 D C 0.236 176.531 176.300 -0.008 0.000 1.020 54 D CA 0.633 54.629 54.000 -0.006 0.000 0.892 54 D CB -0.253 40.546 40.800 -0.002 0.000 0.900 54 D HN 0.285 nan 8.370 nan 0.000 0.531 55 D N -0.048 120.338 120.400 -0.024 0.000 2.369 55 D HA 0.160 4.958 4.640 0.264 0.000 0.211 55 D C 0.280 176.552 176.300 -0.047 0.000 1.077 55 D CA -0.145 53.832 54.000 -0.037 0.000 0.842 55 D CB 0.625 41.383 40.800 -0.071 0.000 0.947 55 D HN 0.346 nan 8.370 nan 0.000 0.509 56 I N 2.271 122.821 120.570 -0.033 0.000 2.256 56 I HA 0.076 4.404 4.170 0.264 0.000 0.294 56 I C 0.255 176.391 176.117 0.032 0.000 1.127 56 I CA -0.342 60.945 61.300 -0.022 0.000 1.247 56 I CB 0.345 38.328 38.000 -0.029 0.000 1.460 56 I HN -0.333 nan 8.210 nan 0.000 0.511 57 M N 5.123 124.777 119.600 0.090 0.000 2.356 57 M HA 0.034 4.672 4.480 0.264 0.000 0.348 57 M C -0.097 176.254 176.300 0.086 0.000 1.595 57 M CA 0.752 56.114 55.300 0.103 0.000 1.095 57 M CB -0.346 32.353 32.600 0.165 0.000 1.963 57 M HN 0.362 nan 8.290 nan 0.000 0.459 58 D N 6.150 126.579 120.400 0.049 0.000 2.517 58 D HA 0.376 5.174 4.640 0.264 0.000 0.263 58 D C -2.460 173.854 176.300 0.023 0.000 1.233 58 D CA -1.491 52.531 54.000 0.037 0.000 0.849 58 D CB 1.096 41.913 40.800 0.027 0.000 1.261 58 D HN 0.186 nan 8.370 nan 0.000 0.516 59 P HA 0.160 nan 4.420 nan 0.000 0.263 59 P C -0.534 176.777 177.300 0.019 0.000 1.247 59 P CA 0.156 63.265 63.100 0.016 0.000 0.876 59 P CB 0.595 32.302 31.700 0.012 0.000 0.928 60 T N 1.469 116.032 114.554 0.016 0.000 2.925 60 T HA 0.375 4.883 4.350 0.264 0.000 0.285 60 T C 0.213 174.932 174.700 0.030 0.000 1.021 60 T CA -0.578 61.534 62.100 0.020 0.000 1.042 60 T CB 0.930 69.806 68.868 0.013 0.000 1.037 60 T HN 0.081 nan 8.240 nan 0.000 0.481 61 S N 2.023 117.748 115.700 0.042 0.000 2.545 61 S HA 0.639 5.267 4.470 0.264 0.000 0.275 61 S C -0.156 174.481 174.600 0.062 0.000 1.299 61 S CA -0.779 57.461 58.200 0.066 0.000 1.048 61 S CB -0.044 63.200 63.200 0.072 0.000 0.938 61 S HN 0.585 nan 8.310 nan 0.000 0.496 62 L N -0.348 120.920 121.223 0.074 0.000 2.503 62 L HA 1.068 5.566 4.340 0.264 0.000 0.248 62 L C -0.876 176.048 176.870 0.090 0.000 1.126 62 L CA -1.348 53.526 54.840 0.057 0.000 0.929 62 L CB 1.113 43.168 42.059 -0.007 0.000 1.544 62 L HN 0.562 nan 8.230 nan 0.000 0.404 63 A N -0.320 122.542 122.820 0.071 0.000 2.386 63 A HA 0.744 5.222 4.320 0.264 0.000 0.311 63 A C -1.121 176.477 177.584 0.025 0.000 1.068 63 A CA -0.376 51.700 52.037 0.065 0.000 0.743 63 A CB 1.482 20.558 19.000 0.127 0.000 1.258 63 A HN 0.773 nan 8.150 nan 0.000 0.429 64 E N 1.634 121.842 120.200 0.013 0.000 2.114 64 E HA 0.393 4.901 4.350 0.264 0.000 0.266 64 E C -0.583 176.001 176.600 -0.026 0.000 0.896 64 E CA -0.394 56.010 56.400 0.006 0.000 0.750 64 E CB 0.736 30.477 29.700 0.069 0.000 1.121 64 E HN 0.611 nan 8.360 nan 0.000 0.413 65 T N 2.095 116.642 114.554 -0.013 0.000 3.400 65 T HA 0.225 4.733 4.350 0.264 0.000 0.364 65 T C 0.123 174.811 174.700 -0.020 0.000 1.636 65 T CA -0.718 61.375 62.100 -0.011 0.000 1.211 65 T CB 0.337 69.216 68.868 0.019 0.000 1.180 65 T HN 0.426 nan 8.240 nan 0.000 0.730 66 Q N 2.628 122.408 119.800 -0.034 0.000 2.513 66 Q HA 0.116 4.615 4.340 0.264 0.000 0.227 66 Q C 0.049 176.020 176.000 -0.049 0.000 1.257 66 Q CA 0.055 55.832 55.803 -0.043 0.000 0.915 66 Q CB 0.369 29.080 28.738 -0.045 0.000 1.507 66 Q HN 0.690 nan 8.270 nan 0.000 0.543 67 E N 1.668 121.840 120.200 -0.047 0.000 2.383 67 E HA 0.024 4.532 4.350 0.264 0.000 0.264 67 E C -0.492 176.050 176.600 -0.096 0.000 1.050 67 E CA -0.333 56.039 56.400 -0.047 0.000 0.896 67 E CB 0.749 30.431 29.700 -0.030 0.000 0.982 67 E HN 0.367 nan 8.360 nan 0.000 0.424 68 D N 0.589 120.941 120.400 -0.080 0.000 2.447 68 D HA 0.086 4.884 4.640 0.264 0.000 0.265 68 D C 0.825 177.032 176.300 -0.154 0.000 1.250 68 D CA -0.124 53.798 54.000 -0.131 0.000 1.046 68 D CB 0.398 41.192 40.800 -0.009 0.000 1.095 68 D HN 0.423 nan 8.370 nan 0.000 0.555 69 H N -0.363 118.712 119.070 0.008 0.000 2.343 69 H HA 0.134 4.848 4.556 0.263 0.000 0.307 69 H C 0.504 175.838 175.328 0.010 0.000 1.045 69 H CA 0.693 56.746 56.048 0.008 0.000 1.281 69 H CB 0.055 29.821 29.762 0.007 0.000 1.425 69 H HN 0.193 nan 8.280 nan 0.000 0.540 70 N N -2.447 116.362 118.700 0.180 0.000 3.452 70 N HA 0.254 5.152 4.740 0.264 0.000 0.231 70 N C 0.224 175.781 175.510 0.079 0.000 1.264 70 N CA 0.584 53.690 53.050 0.094 0.000 0.928 70 N CB 1.307 39.835 38.487 0.068 0.000 1.547 70 N HN 0.608 nan 8.380 nan 0.000 0.509 71 G N 0.251 109.089 108.800 0.063 0.000 2.234 71 G HA2 -0.274 3.844 3.960 0.264 0.000 0.260 71 G HA3 -0.274 3.844 3.960 0.264 0.000 0.260 71 G C 1.089 176.024 174.900 0.059 0.000 0.987 71 G CA 1.191 46.326 45.100 0.057 0.000 0.625 71 G HN 1.095 nan 8.290 nan 0.000 0.532 72 G N -0.478 108.365 108.800 0.073 0.000 2.545 72 G HA2 0.180 4.298 3.960 0.264 0.000 0.217 72 G HA3 0.180 4.298 3.960 0.264 0.000 0.217 72 G C 0.732 175.665 174.900 0.054 0.000 1.218 72 G CA 1.727 46.870 45.100 0.070 0.000 0.787 72 G HN 0.680 nan 8.290 nan 0.000 0.571 73 Q N -1.992 117.841 119.800 0.054 0.000 2.501 73 Q HA 0.395 4.893 4.340 0.264 0.000 0.288 73 Q C 0.254 176.286 176.000 0.054 0.000 1.051 73 Q CA -0.841 54.995 55.803 0.054 0.000 0.788 73 Q CB 2.218 30.990 28.738 0.057 0.000 1.469 73 Q HN 0.094 nan 8.270 nan 0.000 0.416 74 K N 0.271 120.705 120.400 0.058 0.000 2.102 74 K HA 0.088 4.566 4.320 0.264 0.000 0.206 74 K C 0.737 177.339 176.600 0.004 0.000 1.031 74 K CA 0.712 57.032 56.287 0.056 0.000 0.962 74 K CB 0.429 32.996 32.500 0.111 0.000 0.811 74 K HN 0.356 nan 8.250 nan 0.000 0.453 75 Q N 0.145 119.926 119.800 -0.031 0.000 2.084 75 Q HA 0.300 4.798 4.340 0.264 0.000 0.230 75 Q C -0.630 175.363 176.000 -0.013 0.000 0.806 75 Q CA 0.068 55.760 55.803 -0.186 0.000 1.083 75 Q CB 1.281 29.689 28.738 -0.550 0.000 1.208 75 Q HN 0.185 nan 8.270 nan 0.000 0.462 76 L N 2.136 123.445 121.223 0.143 0.000 2.356 76 L HA 0.384 4.882 4.340 0.264 0.000 0.264 76 L C -0.338 176.625 176.870 0.153 0.000 1.029 76 L CA -0.355 54.631 54.840 0.243 0.000 0.897 76 L CB 1.044 43.236 42.059 0.222 0.000 1.256 76 L HN 0.017 nan 8.230 nan 0.000 0.444 77 S N 2.503 118.293 115.700 0.149 0.000 2.568 77 S HA 0.767 5.395 4.470 0.264 0.000 0.293 77 S C -2.782 171.904 174.600 0.142 0.000 1.089 77 S CA -1.606 56.662 58.200 0.112 0.000 0.945 77 S CB 2.207 65.450 63.200 0.072 0.000 1.077 77 S HN 0.142 nan 8.310 nan 0.000 0.485 78 P HA 0.284 nan 4.420 nan 0.000 0.274 78 P C -0.314 177.025 177.300 0.066 0.000 1.260 78 P CA -0.141 63.006 63.100 0.077 0.000 0.793 78 P CB 0.470 32.208 31.700 0.063 0.000 1.048 79 Q N -0.942 118.875 119.800 0.029 0.000 2.378 79 Q HA 0.155 4.653 4.340 0.264 0.000 0.216 79 Q C -0.048 175.941 176.000 -0.017 0.000 0.892 79 Q CA 1.063 56.877 55.803 0.019 0.000 0.931 79 Q CB 0.280 29.027 28.738 0.017 0.000 1.086 79 Q HN 0.421 nan 8.270 nan 0.000 0.528 80 K N 0.277 120.653 120.400 -0.041 0.000 2.637 80 K HA 0.435 4.913 4.320 0.264 0.000 0.248 80 K C -1.536 174.992 176.600 -0.121 0.000 0.971 80 K CA -0.360 55.877 56.287 -0.085 0.000 0.858 80 K CB 2.632 35.090 32.500 -0.070 0.000 1.170 80 K HN -0.243 nan 8.250 nan 0.000 0.443 81 V N 2.733 122.521 119.914 -0.211 0.000 2.294 81 V HA 0.166 4.444 4.120 0.264 0.000 0.272 81 V C -0.104 175.795 176.094 -0.324 0.000 1.027 81 V CA -0.534 61.572 62.300 -0.325 0.000 0.823 81 V CB 1.193 32.618 31.823 -0.664 0.000 1.030 81 V HN 0.694 nan 8.190 nan 0.000 0.457 82 T N 7.078 121.523 114.554 -0.182 0.000 3.162 82 T HA 0.408 4.916 4.350 0.264 0.000 0.316 82 T C -0.057 174.618 174.700 -0.041 0.000 1.182 82 T CA -0.303 61.720 62.100 -0.129 0.000 1.015 82 T CB -0.320 68.528 68.868 -0.033 0.000 1.089 82 T HN 0.497 nan 8.240 nan 0.000 0.646 83 L N 0.671 121.812 121.223 -0.137 0.000 2.395 83 L HA 0.600 5.098 4.340 0.264 0.000 0.269 83 L C -0.825 176.066 176.870 0.036 0.000 1.133 83 L CA -0.759 54.081 54.840 0.001 0.000 0.812 83 L CB -0.145 41.872 42.059 -0.069 0.000 1.125 83 L HN 0.249 nan 8.230 nan 0.000 0.452 84 Y N 3.789 124.070 120.300 -0.032 0.000 2.478 84 Y HA 0.574 5.282 4.550 0.264 0.000 0.329 84 Y C -0.438 175.462 175.900 0.001 0.000 0.967 84 Y CA -0.871 57.219 58.100 -0.017 0.000 1.255 84 Y CB 1.376 39.825 38.460 -0.017 0.000 1.103 84 Y HN 0.568 nan 8.280 nan 0.000 0.497 85 L N 5.032 126.308 121.223 0.089 0.000 2.265 85 L HA 0.526 5.024 4.340 0.264 0.000 0.289 85 L C -0.115 176.783 176.870 0.047 0.000 1.033 85 L CA -0.809 54.073 54.840 0.070 0.000 0.814 85 L CB 0.791 42.882 42.059 0.054 0.000 1.203 85 L HN 0.590 nan 8.230 nan 0.000 0.423 86 R N 6.348 126.876 120.500 0.047 0.000 2.308 86 R HA 0.494 4.992 4.340 0.264 0.000 0.305 86 R C -2.366 173.941 176.300 0.011 0.000 1.053 86 R CA -1.651 54.464 56.100 0.025 0.000 0.957 86 R CB 0.876 31.190 30.300 0.024 0.000 1.022 86 R HN 0.446 nan 8.270 nan 0.000 0.461 87 P HA 0.005 nan 4.420 nan 0.000 0.264 87 P C 0.305 177.595 177.300 -0.015 0.000 1.183 87 P CA 1.173 64.265 63.100 -0.013 0.000 0.763 87 P CB 0.823 32.506 31.700 -0.029 0.000 0.807 88 G N 1.717 110.511 108.800 -0.012 0.000 2.320 88 G HA2 -0.284 3.834 3.960 0.264 0.000 0.242 88 G HA3 -0.284 3.834 3.960 0.264 0.000 0.242 88 G C 0.208 175.106 174.900 -0.003 0.000 1.033 88 G CA -0.037 45.055 45.100 -0.014 0.000 0.620 88 G HN 0.636 nan 8.290 nan 0.000 0.517 89 Q N 0.825 120.627 119.800 0.005 0.000 2.271 89 Q HA 0.697 5.195 4.340 0.264 0.000 0.258 89 Q C 0.116 176.131 176.000 0.024 0.000 0.936 89 Q CA -0.015 55.797 55.803 0.014 0.000 0.909 89 Q CB 1.358 30.106 28.738 0.018 0.000 1.253 89 Q HN 0.810 nan 8.270 nan 0.000 0.440 90 A N 2.354 125.189 122.820 0.025 0.000 2.331 90 A HA 0.700 5.178 4.320 0.264 0.000 0.283 90 A C -0.704 176.912 177.584 0.054 0.000 1.142 90 A CA -0.233 51.823 52.037 0.031 0.000 0.812 90 A CB 0.819 19.827 19.000 0.014 0.000 1.074 90 A HN 0.746 nan 8.150 nan 0.000 0.497 91 A N 1.780 124.652 122.820 0.087 0.000 2.276 91 A HA 0.707 5.185 4.320 0.264 0.000 0.316 91 A C 0.216 177.905 177.584 0.175 0.000 1.229 91 A CA 0.118 52.239 52.037 0.141 0.000 0.851 91 A CB 0.566 19.674 19.000 0.180 0.000 1.165 91 A HN 2.023 nan 8.150 nan 0.000 0.513 92 A N 2.416 125.328 122.820 0.154 0.000 2.318 92 A HA 0.811 5.289 4.320 0.264 0.000 0.317 92 A C -0.698 177.003 177.584 0.194 0.000 1.159 92 A CA -0.516 51.567 52.037 0.077 0.000 0.799 92 A CB 0.165 19.178 19.000 0.023 0.000 1.194 92 A HN 1.539 nan 8.150 nan 0.000 0.479 93 F N 0.951 120.925 119.950 0.040 0.000 2.561 93 F HA 0.637 5.322 4.527 0.263 0.000 0.313 93 F C -0.458 175.387 175.800 0.074 0.000 1.126 93 F CA -1.327 56.702 58.000 0.049 0.000 0.918 93 F CB 1.059 40.086 39.000 0.044 0.000 1.199 93 F HN 0.350 nan 8.300 nan 0.000 0.444 94 N N 1.235 120.022 118.700 0.144 0.000 2.445 94 N HA 0.588 5.486 4.740 0.264 0.000 0.264 94 N C -1.103 174.517 175.510 0.184 0.000 1.227 94 N CA -0.576 52.538 53.050 0.106 0.000 0.963 94 N CB 1.834 40.372 38.487 0.085 0.000 1.188 94 N HN 0.545 nan 8.380 nan 0.000 0.491 95 V N 0.808 120.842 119.914 0.200 0.000 2.445 95 V HA 0.225 4.503 4.120 0.264 0.000 0.283 95 V C -0.269 175.975 176.094 0.251 0.000 1.014 95 V CA -0.770 61.688 62.300 0.264 0.000 0.852 95 V CB 1.189 33.224 31.823 0.354 0.000 1.021 95 V HN 0.576 nan 8.190 nan 0.000 0.435 96 T N 5.535 120.202 114.554 0.188 0.000 2.814 96 T HA 0.481 4.989 4.350 0.264 0.000 0.297 96 T C -0.707 174.136 174.700 0.238 0.000 0.956 96 T CA 0.381 62.571 62.100 0.151 0.000 1.123 96 T CB 0.241 69.157 68.868 0.080 0.000 0.902 96 T HN 0.470 nan 8.240 nan 0.000 0.528 97 F N 3.973 123.958 119.950 0.058 0.000 2.659 97 F HA 0.455 5.141 4.527 0.264 0.000 0.342 97 F C -0.117 175.696 175.800 0.022 0.000 1.168 97 F CA -0.983 57.053 58.000 0.059 0.000 1.003 97 F CB 0.989 40.068 39.000 0.131 0.000 1.267 97 F HN 0.410 nan 8.300 nan 0.000 0.463 98 R N 6.710 126.939 120.500 -0.451 0.000 2.477 98 R HA 0.368 4.866 4.340 0.264 0.000 0.285 98 R C -0.111 175.896 176.300 -0.487 0.000 1.415 98 R CA -0.706 55.196 56.100 -0.330 0.000 1.446 98 R CB 0.481 30.684 30.300 -0.161 0.000 1.110 98 R HN 0.859 nan 8.270 nan 0.000 0.590 99 R N 1.613 121.749 120.500 -0.605 0.000 2.802 99 R HA -0.045 4.453 4.340 0.264 0.000 0.264 99 R C 0.047 176.248 176.300 -0.165 0.000 0.996 99 R CA 1.289 57.164 56.100 -0.374 0.000 1.123 99 R CB 0.695 30.974 30.300 -0.036 0.000 0.996 99 R HN 0.697 nan 8.270 nan 0.000 0.444 100 A N 2.438 125.199 122.820 -0.098 0.000 1.988 100 A HA 0.244 4.722 4.320 0.264 0.000 0.198 100 A C 0.301 177.820 177.584 -0.109 0.000 1.507 100 A CA 0.527 52.501 52.037 -0.104 0.000 0.901 100 A CB 0.414 19.347 19.000 -0.112 0.000 1.007 100 A HN 0.682 nan 8.150 nan 0.000 0.502 101 K N -3.212 117.109 120.400 -0.133 0.000 2.719 101 K HA 0.448 4.926 4.320 0.264 0.000 0.281 101 K C -1.134 175.354 176.600 -0.186 0.000 0.991 101 K CA -0.159 56.015 56.287 -0.189 0.000 0.760 101 K CB 0.611 32.938 32.500 -0.290 0.000 1.438 101 K HN 0.351 nan 8.250 nan 0.000 0.350 102 G N 0.633 109.306 108.800 -0.212 0.000 2.416 102 G HA2 0.559 4.677 3.960 0.264 0.000 0.324 102 G HA3 0.559 4.677 3.960 0.264 0.000 0.324 102 G C -1.405 173.397 174.900 -0.162 0.000 1.194 102 G CA -0.229 44.802 45.100 -0.115 0.000 0.922 102 G HN 0.303 nan 8.290 nan 0.000 0.467 103 Y N 1.577 121.940 120.300 0.105 0.000 2.418 103 Y HA 0.381 5.089 4.550 0.264 0.000 0.327 103 Y C -1.660 174.296 175.900 0.093 0.000 1.309 103 Y CA -2.081 56.076 58.100 0.095 0.000 1.423 103 Y CB 0.808 39.337 38.460 0.116 0.000 1.423 103 Y HN 0.314 nan 8.280 nan 0.000 0.532 104 P HA -0.015 nan 4.420 nan 0.000 0.258 104 P C -0.360 177.047 177.300 0.179 0.000 1.187 104 P CA 0.542 63.745 63.100 0.172 0.000 0.767 104 P CB 0.098 31.886 31.700 0.147 0.000 0.770 105 I N 2.776 123.442 120.570 0.160 0.000 2.886 105 I HA 0.246 4.574 4.170 0.264 0.000 0.299 105 I C 0.114 176.316 176.117 0.142 0.000 1.044 105 I CA 0.162 61.568 61.300 0.176 0.000 1.310 105 I CB 0.890 39.006 38.000 0.192 0.000 1.441 105 I HN 0.201 nan 8.210 nan 0.000 0.578 106 D N 5.754 126.252 120.400 0.163 0.000 2.445 106 D HA 0.285 5.083 4.640 0.264 0.000 0.236 106 D C -0.944 175.481 176.300 0.207 0.000 1.315 106 D CA -0.290 53.804 54.000 0.158 0.000 0.924 106 D CB 0.580 41.519 40.800 0.232 0.000 1.447 106 D HN 0.307 nan 8.370 nan 0.000 0.532 107 L N 1.714 123.018 121.223 0.134 0.000 2.456 107 L HA 0.477 4.975 4.340 0.264 0.000 0.257 107 L C -0.575 176.446 176.870 0.252 0.000 1.162 107 L CA -0.692 54.257 54.840 0.180 0.000 0.808 107 L CB 0.901 43.030 42.059 0.116 0.000 1.136 107 L HN 0.331 nan 8.230 nan 0.000 0.466 108 Y N 0.544 120.956 120.300 0.187 0.000 2.348 108 Y HA 0.222 4.929 4.550 0.262 0.000 0.321 108 Y C -1.323 174.726 175.900 0.248 0.000 1.163 108 Y CA -0.730 57.507 58.100 0.228 0.000 1.070 108 Y CB 1.159 39.802 38.460 0.305 0.000 1.250 108 Y HN 0.336 nan 8.280 nan 0.000 0.425 109 Y N 7.291 127.557 120.300 -0.058 0.000 2.518 109 Y HA 0.445 5.153 4.550 0.264 0.000 0.344 109 Y C -0.825 174.996 175.900 -0.133 0.000 0.982 109 Y CA -0.483 57.635 58.100 0.029 0.000 1.234 109 Y CB 0.421 39.010 38.460 0.216 0.000 1.114 109 Y HN 0.561 nan 8.280 nan 0.000 0.515 110 L N 8.021 129.221 121.223 -0.040 0.000 2.356 110 L HA 0.287 4.785 4.340 0.264 0.000 0.282 110 L C -0.067 176.810 176.870 0.010 0.000 1.132 110 L CA 0.017 54.934 54.840 0.127 0.000 0.923 110 L CB 0.092 42.308 42.059 0.262 0.000 1.278 110 L HN 0.633 nan 8.230 nan 0.000 0.436 111 M N 2.769 122.290 119.600 -0.131 0.000 2.336 111 M HA 0.308 4.946 4.480 0.264 0.000 0.342 111 M C -0.590 175.210 176.300 -0.834 0.000 1.128 111 M CA -0.584 54.569 55.300 -0.246 0.000 1.016 111 M CB 1.698 34.438 32.600 0.233 0.000 1.665 111 M HN 0.277 nan 8.290 nan 0.000 0.445 112 D N 4.893 124.700 120.400 -0.987 0.000 2.325 112 D HA 0.215 5.013 4.640 0.264 0.000 0.251 112 D C -1.013 175.036 176.300 -0.418 0.000 1.196 112 D CA 0.045 53.385 54.000 -1.101 0.000 0.866 112 D CB 0.516 40.977 40.800 -0.566 0.000 1.101 112 D HN 0.650 nan 8.370 nan 0.000 0.476 113 L N 3.941 124.983 121.223 -0.302 0.000 2.352 113 L HA 0.272 4.770 4.340 0.264 0.000 0.272 113 L C 0.064 176.924 176.870 -0.018 0.000 1.109 113 L CA -0.332 54.486 54.840 -0.037 0.000 0.952 113 L CB 0.097 42.284 42.059 0.213 0.000 1.314 113 L HN 0.319 nan 8.230 nan 0.000 0.427 114 S N -0.139 115.557 115.700 -0.006 0.000 2.798 114 S HA 0.260 4.888 4.470 0.264 0.000 0.312 114 S C 0.343 175.000 174.600 0.094 0.000 1.122 114 S CA -0.477 57.757 58.200 0.057 0.000 0.949 114 S CB 1.277 64.514 63.200 0.061 0.000 1.235 114 S HN 0.451 nan 8.310 nan 0.000 0.552 115 Y N 1.710 122.028 120.300 0.030 0.000 2.544 115 Y HA -0.012 4.696 4.550 0.262 0.000 0.286 115 Y C 2.327 178.245 175.900 0.030 0.000 1.141 115 Y CA 1.244 59.363 58.100 0.032 0.000 1.299 115 Y CB 0.027 38.506 38.460 0.032 0.000 1.030 115 Y HN 0.668 nan 8.280 nan 0.000 0.543 116 S N -1.265 114.522 115.700 0.146 0.000 2.528 116 S HA 0.026 4.655 4.470 0.264 0.000 0.219 116 S C 1.029 175.647 174.600 0.031 0.000 0.985 116 S CA 0.199 58.456 58.200 0.095 0.000 0.914 116 S CB -0.079 63.184 63.200 0.105 0.000 0.776 116 S HN 0.227 nan 8.310 nan 0.000 0.526 117 M N 1.628 121.231 119.600 0.004 0.000 2.989 117 M HA 0.426 5.064 4.480 0.264 0.000 0.307 117 M C 0.374 176.643 176.300 -0.052 0.000 1.224 117 M CA -0.094 55.199 55.300 -0.012 0.000 0.984 117 M CB -0.379 32.214 32.600 -0.013 0.000 1.264 117 M HN 0.317 nan 8.290 nan 0.000 0.525 118 L N 0.630 121.790 121.223 -0.106 0.000 2.062 118 L HA -0.111 4.387 4.340 0.264 0.000 0.202 118 L C 1.962 178.775 176.870 -0.095 0.000 1.079 118 L CA 1.161 55.905 54.840 -0.159 0.000 0.755 118 L CB -0.329 41.547 42.059 -0.306 0.000 0.913 118 L HN 0.378 nan 8.230 nan 0.000 0.445 119 D N -1.152 119.206 120.400 -0.070 0.000 2.378 119 D HA -0.179 4.619 4.640 0.264 0.000 0.222 119 D C 1.179 177.467 176.300 -0.019 0.000 0.980 119 D CA 0.800 54.776 54.000 -0.039 0.000 0.907 119 D CB -0.361 40.426 40.800 -0.022 0.000 0.899 119 D HN 0.247 nan 8.370 nan 0.000 0.527 120 D N 0.121 120.514 120.400 -0.011 0.000 2.183 120 D HA 0.010 4.808 4.640 0.264 0.000 0.205 120 D C 1.972 178.276 176.300 0.006 0.000 0.962 120 D CA 0.230 54.239 54.000 0.016 0.000 0.849 120 D CB -0.208 40.615 40.800 0.038 0.000 0.978 120 D HN 0.207 nan 8.370 nan 0.000 0.488 121 L N 0.411 121.623 121.223 -0.018 0.000 2.217 121 L HA -0.041 4.457 4.340 0.264 0.000 0.211 121 L C 2.309 179.142 176.870 -0.063 0.000 1.107 121 L CA 0.870 55.686 54.840 -0.040 0.000 0.783 121 L CB 0.145 42.174 42.059 -0.051 0.000 0.919 121 L HN -0.079 nan 8.230 nan 0.000 0.442 122 R N -0.068 120.399 120.500 -0.055 0.000 2.062 122 R HA -0.083 4.415 4.340 0.264 0.000 0.226 122 R C 1.327 177.599 176.300 -0.047 0.000 1.125 122 R CA 1.633 57.700 56.100 -0.056 0.000 0.966 122 R CB -0.156 30.114 30.300 -0.050 0.000 0.861 122 R HN 0.403 nan 8.270 nan 0.000 0.433 123 N N -0.552 118.129 118.700 -0.031 0.000 2.421 123 N HA 0.019 4.917 4.740 0.264 0.000 0.201 123 N C -0.049 175.446 175.510 -0.026 0.000 1.198 123 N CA -0.103 52.934 53.050 -0.022 0.000 0.838 123 N CB 1.042 39.526 38.487 -0.004 0.000 1.011 123 N HN 0.037 nan 8.380 nan 0.000 0.463 124 V N -0.371 119.513 119.914 -0.049 0.000 3.283 124 V HA -0.080 4.199 4.120 0.264 0.000 0.265 124 V C 1.667 177.678 176.094 -0.138 0.000 1.672 124 V CA -0.107 62.145 62.300 -0.079 0.000 1.020 124 V CB 0.298 32.090 31.823 -0.051 0.000 0.854 124 V HN 0.237 nan 8.190 nan 0.000 0.408 125 K N 1.906 122.226 120.400 -0.133 0.000 2.242 125 K HA -0.177 4.301 4.320 0.264 0.000 0.206 125 K C 0.650 177.132 176.600 -0.197 0.000 1.045 125 K CA 1.621 57.798 56.287 -0.184 0.000 0.930 125 K CB -0.100 32.309 32.500 -0.151 0.000 0.726 125 K HN 0.382 nan 8.250 nan 0.000 0.462 126 K N 0.513 120.829 120.400 -0.140 0.000 3.306 126 K HA 0.184 4.662 4.320 0.264 0.000 0.169 126 K C -1.496 175.059 176.600 -0.076 0.000 1.110 126 K CA -0.295 55.924 56.287 -0.113 0.000 0.783 126 K CB 1.012 33.451 32.500 -0.101 0.000 0.958 126 K HN -0.031 nan 8.250 nan 0.000 0.581 127 L N 0.574 121.752 121.223 -0.076 0.000 2.679 127 L HA 0.426 4.924 4.340 0.264 0.000 0.238 127 L C 0.491 177.336 176.870 -0.042 0.000 1.330 127 L CA 0.173 54.983 54.840 -0.050 0.000 0.935 127 L CB 0.705 42.738 42.059 -0.043 0.000 1.243 127 L HN 0.404 nan 8.230 nan 0.000 0.484 128 G N -0.501 108.283 108.800 -0.026 0.000 3.228 128 G HA2 0.154 4.272 3.960 0.264 0.000 0.245 128 G HA3 0.154 4.272 3.960 0.264 0.000 0.245 128 G C 0.997 175.882 174.900 -0.025 0.000 1.051 128 G CA 0.394 45.483 45.100 -0.019 0.000 0.809 128 G HN 0.598 nan 8.290 nan 0.000 0.531 129 G N 1.314 110.102 108.800 -0.019 0.000 2.623 129 G HA2 -0.008 4.110 3.960 0.264 0.000 0.214 129 G HA3 -0.008 4.110 3.960 0.264 0.000 0.214 129 G C 1.229 176.119 174.900 -0.015 0.000 1.138 129 G CA 1.154 46.243 45.100 -0.018 0.000 0.794 129 G HN 0.441 nan 8.290 nan 0.000 0.535 130 D N 0.107 120.500 120.400 -0.012 0.000 2.349 130 D HA 0.075 4.873 4.640 0.264 0.000 0.214 130 D C 2.031 178.331 176.300 0.001 0.000 1.063 130 D CA -0.179 53.818 54.000 -0.004 0.000 0.847 130 D CB -0.148 40.652 40.800 0.000 0.000 0.933 130 D HN 0.348 nan 8.370 nan 0.000 0.513 131 L N -0.494 120.724 121.223 -0.008 0.000 2.145 131 L HA 0.030 4.528 4.340 0.264 0.000 0.201 131 L C 2.031 178.897 176.870 -0.006 0.000 1.075 131 L CA 0.318 55.157 54.840 -0.003 0.000 0.773 131 L CB -0.234 41.811 42.059 -0.025 0.000 0.936 131 L HN -0.019 nan 8.230 nan 0.000 0.451 132 L N -0.125 121.082 121.223 -0.026 0.000 2.201 132 L HA -0.134 4.364 4.340 0.264 0.000 0.212 132 L C 2.618 179.481 176.870 -0.011 0.000 1.105 132 L CA 1.429 56.255 54.840 -0.024 0.000 0.775 132 L CB -0.708 41.330 42.059 -0.036 0.000 0.913 132 L HN 0.164 nan 8.230 nan 0.000 0.440 133 R N -0.289 120.207 120.500 -0.008 0.000 2.090 133 R HA -0.069 4.429 4.340 0.264 0.000 0.228 133 R C 2.047 178.348 176.300 0.002 0.000 1.110 133 R CA 1.160 57.257 56.100 -0.004 0.000 0.973 133 R CB -0.107 30.190 30.300 -0.004 0.000 0.869 133 R HN 0.321 nan 8.270 nan 0.000 0.440 134 A N 0.443 123.270 122.820 0.011 0.000 2.169 134 A HA -0.015 4.464 4.320 0.264 0.000 0.212 134 A C 1.696 179.294 177.584 0.025 0.000 1.153 134 A CA 0.390 52.441 52.037 0.023 0.000 0.756 134 A CB -0.045 18.980 19.000 0.043 0.000 0.813 134 A HN 0.368 nan 8.150 nan 0.000 0.471 135 L N -0.791 120.442 121.223 0.018 0.000 2.513 135 L HA 0.196 4.694 4.340 0.264 0.000 0.222 135 L C 1.559 178.423 176.870 -0.009 0.000 1.096 135 L CA 1.313 56.163 54.840 0.017 0.000 0.857 135 L CB -0.504 41.569 42.059 0.023 0.000 1.026 135 L HN 0.319 nan 8.230 nan 0.000 0.469 136 N N 0.378 119.071 118.700 -0.012 0.000 2.120 136 N HA -0.209 4.689 4.740 0.264 0.000 0.188 136 N C 1.543 177.035 175.510 -0.030 0.000 1.024 136 N CA 1.750 54.789 53.050 -0.018 0.000 0.852 136 N CB 0.149 38.627 38.487 -0.015 0.000 1.003 136 N HN 0.459 nan 8.380 nan 0.000 0.424 137 E N 0.257 120.435 120.200 -0.036 0.000 2.005 137 E HA -0.135 4.374 4.350 0.264 0.000 0.198 137 E C 1.965 178.524 176.600 -0.069 0.000 1.010 137 E CA 1.466 57.838 56.400 -0.047 0.000 0.825 137 E CB -0.244 29.428 29.700 -0.047 0.000 0.769 137 E HN 0.319 nan 8.360 nan 0.000 0.456 138 I N 0.367 120.874 120.570 -0.105 0.000 2.185 138 I HA -0.033 4.295 4.170 0.264 0.000 0.235 138 I C 1.097 177.145 176.117 -0.116 0.000 1.069 138 I CA 0.955 62.167 61.300 -0.146 0.000 1.354 138 I CB -1.617 36.217 38.000 -0.276 0.000 1.093 138 I HN 0.038 nan 8.210 nan 0.000 0.411 139 T N 2.146 116.640 114.554 -0.100 0.000 2.874 139 T HA 0.290 4.798 4.350 0.264 0.000 0.281 139 T C 0.654 175.342 174.700 -0.021 0.000 0.994 139 T CA -0.623 61.452 62.100 -0.043 0.000 1.015 139 T CB 1.876 70.749 68.868 0.008 0.000 1.028 139 T HN 0.358 nan 8.240 nan 0.000 0.523 140 E N 0.333 120.531 120.200 -0.004 0.000 3.361 140 E HA 0.284 4.793 4.350 0.264 0.000 0.379 140 E C 0.060 176.666 176.600 0.009 0.000 0.442 140 E CA -0.751 55.648 56.400 -0.001 0.000 2.366 140 E CB -0.167 29.533 29.700 -0.000 0.000 2.164 140 E HN 0.495 nan 8.360 nan 0.000 0.446 141 S N 0.621 116.328 115.700 0.012 0.000 2.671 141 S HA 0.244 4.872 4.470 0.264 0.000 0.331 141 S C 0.449 175.062 174.600 0.022 0.000 1.182 141 S CA -0.439 57.768 58.200 0.011 0.000 1.276 141 S CB -0.422 62.785 63.200 0.011 0.000 1.360 141 S HN 0.591 nan 8.310 nan 0.000 0.563 142 G N 2.657 111.467 108.800 0.018 0.000 2.574 142 G HA2 0.648 4.766 3.960 0.264 0.000 0.248 142 G HA3 0.648 4.766 3.960 0.264 0.000 0.248 142 G C -0.178 174.723 174.900 0.001 0.000 1.422 142 G CA -0.993 44.124 45.100 0.029 0.000 1.051 142 G HN 0.603 nan 8.290 nan 0.000 0.560 143 R N -1.567 118.927 120.500 -0.010 0.000 2.808 143 R HA 0.605 5.103 4.340 0.264 0.000 0.272 143 R C -1.673 174.555 176.300 -0.120 0.000 0.995 143 R CA -0.717 55.349 56.100 -0.057 0.000 0.917 143 R CB 1.759 32.036 30.300 -0.039 0.000 1.217 143 R HN 0.345 nan 8.270 nan 0.000 0.471 144 I N 0.037 120.470 120.570 -0.228 0.000 2.534 144 I HA 0.540 4.868 4.170 0.264 0.000 0.288 144 I C 0.165 176.015 176.117 -0.446 0.000 1.077 144 I CA -0.267 60.765 61.300 -0.447 0.000 1.051 144 I CB 2.373 39.894 38.000 -0.799 0.000 1.234 144 I HN 0.706 nan 8.210 nan 0.000 0.425 145 G N 4.140 112.816 108.800 -0.206 0.000 2.642 145 G HA2 0.777 4.895 3.960 0.264 0.000 0.293 145 G HA3 0.777 4.895 3.960 0.264 0.000 0.293 145 G C -2.091 172.837 174.900 0.046 0.000 1.341 145 G CA -0.601 44.560 45.100 0.101 0.000 0.916 145 G HN 0.322 nan 8.290 nan 0.000 0.474 146 F N 0.064 119.801 119.950 -0.357 0.000 2.588 146 F HA 0.757 5.443 4.527 0.265 0.000 0.310 146 F C -0.050 175.333 175.800 -0.694 0.000 1.082 146 F CA -0.524 57.154 58.000 -0.537 0.000 0.929 146 F CB 2.615 41.411 39.000 -0.341 0.000 1.254 146 F HN 0.804 nan 8.300 nan 0.000 0.455 147 G N 2.893 110.941 108.800 -1.253 0.000 2.668 147 G HA2 0.451 4.569 3.960 0.264 0.000 0.284 147 G HA3 0.451 4.569 3.960 0.264 0.000 0.284 147 G C -1.771 172.854 174.900 -0.460 0.000 1.456 147 G CA -0.608 44.276 45.100 -0.359 0.000 1.214 147 G HN 0.772 nan 8.290 nan 0.000 0.568 148 S N 0.876 116.436 115.700 -0.233 0.000 2.652 148 S HA 0.927 5.555 4.470 0.264 0.000 0.270 148 S C -0.571 174.289 174.600 0.432 0.000 1.243 148 S CA -0.501 57.751 58.200 0.086 0.000 0.999 148 S CB 0.600 64.001 63.200 0.335 0.000 0.973 148 S HN 1.439 nan 8.310 nan 0.000 0.544 149 F N 0.333 120.431 119.950 0.245 0.000 2.708 149 F HA 0.635 5.316 4.527 0.256 0.000 0.309 149 F C -0.831 174.850 175.800 -0.197 0.000 1.120 149 F CA -0.972 57.072 58.000 0.072 0.000 0.978 149 F CB 0.267 39.356 39.000 0.148 0.000 1.283 149 F HN 0.315 nan 8.300 nan 0.000 0.439 150 V N -0.413 119.381 119.914 -0.200 0.000 4.197 150 V HA 0.507 4.785 4.120 0.264 0.000 0.176 150 V C -1.036 175.076 176.094 0.032 0.000 1.208 150 V CA 0.656 62.812 62.300 -0.240 0.000 1.306 150 V CB 0.663 32.128 31.823 -0.597 0.000 1.585 150 V HN 0.897 nan 8.190 nan 0.000 0.552 151 D N -1.005 119.353 120.400 -0.070 0.000 2.798 151 D HA 0.197 4.995 4.640 0.264 0.000 0.265 151 D C -1.179 175.052 176.300 -0.115 0.000 1.223 151 D CA -0.596 53.401 54.000 -0.006 0.000 0.743 151 D CB 1.741 42.604 40.800 0.105 0.000 1.276 151 D HN 0.159 nan 8.370 nan 0.000 0.421 152 K N 0.252 120.509 120.400 -0.239 0.000 2.559 152 K HA 0.012 4.490 4.320 0.264 0.000 0.279 152 K C 0.760 177.337 176.600 -0.039 0.000 0.967 152 K CA 0.691 56.824 56.287 -0.256 0.000 1.000 152 K CB 0.449 32.625 32.500 -0.538 0.000 0.890 152 K HN 0.395 nan 8.250 nan 0.000 0.501 153 T N 1.846 116.451 114.554 0.085 0.000 2.674 153 T HA -0.118 4.390 4.350 0.264 0.000 0.265 153 T C 0.941 175.699 174.700 0.097 0.000 1.039 153 T CA 0.835 63.019 62.100 0.139 0.000 1.150 153 T CB -0.048 68.932 68.868 0.187 0.000 0.864 153 T HN 0.465 nan 8.240 nan 0.000 0.427 154 V N 3.319 123.287 119.914 0.092 0.000 3.003 154 V HA 0.393 4.671 4.120 0.264 0.000 0.305 154 V C 0.257 176.460 176.094 0.182 0.000 1.078 154 V CA -1.148 61.215 62.300 0.105 0.000 1.083 154 V CB 0.307 32.190 31.823 0.100 0.000 1.039 154 V HN 0.389 nan 8.190 nan 0.000 0.481 155 L N 4.202 125.521 121.223 0.160 0.000 2.456 155 L HA 0.450 4.948 4.340 0.264 0.000 0.246 155 L C -1.942 175.070 176.870 0.237 0.000 1.238 155 L CA -0.751 54.194 54.840 0.174 0.000 0.826 155 L CB -1.417 40.696 42.059 0.090 0.000 1.150 155 L HN 0.376 nan 8.230 nan 0.000 0.514 156 P HA 0.110 nan 4.420 nan 0.000 0.256 156 P C 0.493 177.709 177.300 -0.141 0.000 1.335 156 P CA 0.664 63.728 63.100 -0.060 0.000 0.808 156 P CB -0.208 31.393 31.700 -0.165 0.000 1.305 157 F N -0.923 119.004 119.950 -0.039 0.000 2.416 157 F HA 0.093 4.659 4.527 0.066 0.000 0.296 157 F C 1.298 177.085 175.800 -0.020 0.000 1.099 157 F CA 0.664 58.626 58.000 -0.063 0.000 1.427 157 F CB 0.145 39.096 39.000 -0.083 0.000 1.079 157 F HN -0.185 nan 8.300 nan 0.000 0.536 158 V N 0.544 120.563 119.914 0.176 0.000 2.950 158 V HA 0.267 4.545 4.120 0.264 0.000 0.295 158 V C -1.589 174.551 176.094 0.077 0.000 1.297 158 V CA -1.429 60.932 62.300 0.103 0.000 0.962 158 V CB 1.383 33.267 31.823 0.101 0.000 1.081 158 V HN 0.294 nan 8.190 nan 0.000 0.432 159 N N 3.419 122.151 118.700 0.053 0.000 2.365 159 N HA 0.009 4.907 4.740 0.264 0.000 0.265 159 N C 0.964 176.490 175.510 0.026 0.000 1.288 159 N CA 0.755 53.832 53.050 0.044 0.000 0.869 159 N CB 0.974 39.486 38.487 0.041 0.000 1.071 159 N HN 0.893 nan 8.380 nan 0.000 0.480 160 T N -1.215 113.347 114.554 0.013 0.000 3.014 160 T HA -0.003 4.506 4.350 0.264 0.000 0.263 160 T C 0.040 174.574 174.700 -0.276 0.000 1.078 160 T CA 0.808 62.853 62.100 -0.091 0.000 1.135 160 T CB -0.412 68.422 68.868 -0.057 0.000 0.895 160 T HN 0.689 nan 8.240 nan 0.000 0.480 161 H N 0.618 119.714 119.070 0.043 0.000 2.928 161 H HA 0.532 5.250 4.556 0.270 0.000 0.371 161 H C -1.921 173.425 175.328 0.030 0.000 1.186 161 H CA -1.654 54.415 56.048 0.035 0.000 1.134 161 H CB 2.391 32.171 29.762 0.030 0.000 1.824 161 H HN 0.023 nan 8.280 nan 0.000 0.554 162 P HA 0.064 nan 4.420 nan 0.000 0.224 162 P C 0.274 177.649 177.300 0.124 0.000 1.161 162 P CA 0.163 63.391 63.100 0.215 0.000 0.760 162 P CB 0.545 32.327 31.700 0.138 0.000 1.353 163 D N -0.515 119.939 120.400 0.090 0.000 2.340 163 D HA -0.058 4.740 4.640 0.264 0.000 0.220 163 D C 1.525 177.855 176.300 0.049 0.000 1.039 163 D CA 0.349 54.388 54.000 0.065 0.000 0.866 163 D CB -0.338 40.495 40.800 0.054 0.000 0.913 163 D HN 0.253 nan 8.370 nan 0.000 0.523 164 K N 0.073 120.502 120.400 0.048 0.000 2.362 164 K HA -0.073 4.405 4.320 0.264 0.000 0.200 164 K C 1.803 178.428 176.600 0.042 0.000 1.046 164 K CA 0.312 56.623 56.287 0.039 0.000 0.952 164 K CB -0.141 32.379 32.500 0.034 0.000 0.753 164 K HN 0.114 nan 8.250 nan 0.000 0.466 165 L N 1.298 122.546 121.223 0.041 0.000 2.056 165 L HA -0.067 4.431 4.340 0.264 0.000 0.207 165 L C 1.912 178.809 176.870 0.045 0.000 1.078 165 L CA 1.572 56.432 54.840 0.034 0.000 0.749 165 L CB -0.220 41.837 42.059 -0.003 0.000 0.901 165 L HN 0.082 nan 8.230 nan 0.000 0.433 166 R N -0.575 119.951 120.500 0.044 0.000 2.237 166 R HA -0.021 4.477 4.340 0.264 0.000 0.219 166 R C 0.254 176.583 176.300 0.047 0.000 1.080 166 R CA 0.871 56.997 56.100 0.044 0.000 0.995 166 R CB -0.246 30.078 30.300 0.040 0.000 0.875 166 R HN 0.310 nan 8.270 nan 0.000 0.462 167 N N -0.471 118.258 118.700 0.048 0.000 2.716 167 N HA 0.137 5.035 4.740 0.264 0.000 0.245 167 N C -2.474 173.064 175.510 0.047 0.000 1.495 167 N CA -1.655 51.424 53.050 0.048 0.000 0.759 167 N CB 1.232 39.742 38.487 0.038 0.000 1.261 167 N HN -0.213 nan 8.380 nan 0.000 0.515 168 P HA 0.083 nan 4.420 nan 0.000 0.219 168 P C 0.167 177.492 177.300 0.041 0.000 1.150 168 P CA 0.347 63.480 63.100 0.054 0.000 0.814 168 P CB 0.152 31.900 31.700 0.080 0.000 0.787 169 c N 2.444 121.087 118.600 0.071 0.000 2.409 169 c HA 0.013 4.741 4.570 0.264 0.000 0.398 169 c C -1.915 172.151 174.090 -0.040 0.000 1.507 169 c CA -0.454 55.925 56.329 0.083 0.000 1.460 169 c CB -1.146 41.454 42.510 0.151 0.000 2.472 169 c HN 0.231 nan 8.230 nan 0.000 0.614 170 P HA 0.172 nan 4.420 nan 0.000 0.274 170 P C 0.495 177.652 177.300 -0.238 0.000 1.291 170 P CA 0.877 63.802 63.100 -0.292 0.000 0.815 170 P CB 0.459 31.862 31.700 -0.494 0.000 0.897 171 N N 3.526 122.166 118.700 -0.099 0.000 1.942 171 N HA -0.232 4.666 4.740 0.264 0.000 0.211 171 N C 0.886 176.399 175.510 0.006 0.000 1.207 171 N CA 2.331 55.353 53.050 -0.046 0.000 3.569 171 N CB -1.288 37.164 38.487 -0.057 0.000 0.738 171 N HN 0.280 nan 8.380 nan 0.000 0.356 172 K N 0.678 121.105 120.400 0.045 0.000 2.098 172 K HA 0.114 4.592 4.320 0.264 0.000 0.203 172 K C -0.234 176.415 176.600 0.082 0.000 1.051 172 K CA 0.822 57.166 56.287 0.096 0.000 0.957 172 K CB -0.026 32.589 32.500 0.192 0.000 0.738 172 K HN 0.419 nan 8.250 nan 0.000 0.447 173 E N 1.188 121.444 120.200 0.093 0.000 2.210 173 E HA -0.203 4.305 4.350 0.264 0.000 0.201 173 E C -0.520 176.121 176.600 0.067 0.000 1.339 173 E CA 0.524 56.968 56.400 0.073 0.000 0.699 173 E CB -1.223 28.503 29.700 0.043 0.000 1.126 173 E HN 0.432 nan 8.360 nan 0.000 0.355 174 K N 0.720 121.169 120.400 0.083 0.000 3.100 174 K HA 0.190 4.668 4.320 0.264 0.000 0.256 174 K C 0.079 176.702 176.600 0.038 0.000 1.146 174 K CA -0.096 56.222 56.287 0.052 0.000 1.233 174 K CB 0.463 32.990 32.500 0.045 0.000 1.226 174 K HN 0.131 nan 8.250 nan 0.000 0.442 175 E N 0.224 120.448 120.200 0.040 0.000 2.340 175 E HA -0.213 4.295 4.350 0.264 0.000 0.240 175 E C -0.431 176.188 176.600 0.032 0.000 1.154 175 E CA 0.557 56.974 56.400 0.029 0.000 0.717 175 E CB -2.270 27.437 29.700 0.012 0.000 1.250 175 E HN 0.742 nan 8.360 nan 0.000 0.386 176 c N 0.510 119.145 118.600 0.058 0.000 2.605 176 c HA 0.551 5.279 4.570 0.264 0.000 0.404 176 c C 1.184 175.314 174.090 0.067 0.000 1.284 176 c CA -0.144 56.227 56.329 0.069 0.000 2.199 176 c CB 0.590 43.170 42.510 0.117 0.000 2.647 176 c HN 0.579 nan 8.230 nan 0.000 0.604 177 Q N 2.454 122.290 119.800 0.060 0.000 2.454 177 Q HA 0.424 4.922 4.340 0.264 0.000 0.247 177 Q C -2.454 173.613 176.000 0.112 0.000 1.028 177 Q CA -0.977 54.851 55.803 0.042 0.000 0.910 177 Q CB -0.370 28.343 28.738 -0.042 0.000 1.276 177 Q HN 0.567 nan 8.270 nan 0.000 0.489 178 P HA 0.071 nan 4.420 nan 0.000 0.267 178 P C -2.441 175.021 177.300 0.271 0.000 1.200 178 P CA -0.887 62.296 63.100 0.137 0.000 0.772 178 P CB -0.391 31.364 31.700 0.091 0.000 0.855 179 P HA 0.022 nan 4.420 nan 0.000 0.261 179 P C -0.682 176.844 177.300 0.377 0.000 1.183 179 P CA 0.766 64.022 63.100 0.259 0.000 0.761 179 P CB -0.163 31.623 31.700 0.143 0.000 0.785 180 F N 1.388 121.449 119.950 0.184 0.000 3.043 180 F HA 0.900 5.590 4.527 0.271 0.000 0.357 180 F C 0.603 176.541 175.800 0.230 0.000 1.302 180 F CA -0.822 57.375 58.000 0.328 0.000 1.069 180 F CB 0.356 39.543 39.000 0.311 0.000 1.539 180 F HN 0.188 nan 8.300 nan 0.000 0.505 181 A N -0.778 122.082 122.820 0.067 0.000 1.806 181 A HA 0.441 4.919 4.320 0.264 0.000 0.193 181 A C -0.963 176.629 177.584 0.013 0.000 1.883 181 A CA 0.253 52.060 52.037 -0.383 0.000 1.434 181 A CB 0.202 18.630 19.000 -0.954 0.000 1.505 181 A HN 0.862 nan 8.150 nan 0.000 0.364 182 F N 0.597 120.595 119.950 0.080 0.000 2.839 182 F HA 0.633 5.315 4.527 0.258 0.000 0.344 182 F C -0.887 175.208 175.800 0.492 0.000 1.242 182 F CA -0.451 57.736 58.000 0.312 0.000 1.091 182 F CB 1.261 40.326 39.000 0.108 0.000 1.374 182 F HN 0.069 nan 8.300 nan 0.000 0.553 183 R N 4.245 124.659 120.500 -0.142 0.000 2.412 183 R HA 0.242 4.740 4.340 0.264 0.000 0.304 183 R C -1.266 174.803 176.300 -0.385 0.000 1.066 183 R CA -0.858 55.112 56.100 -0.216 0.000 0.923 183 R CB 0.424 30.613 30.300 -0.185 0.000 1.156 183 R HN 0.796 nan 8.270 nan 0.000 0.513 184 H N 4.077 122.824 119.070 -0.540 0.000 3.432 184 H HA 0.038 4.751 4.556 0.262 0.000 0.252 184 H C 0.708 175.996 175.328 -0.068 0.000 1.397 184 H CA 0.114 56.012 56.048 -0.251 0.000 1.549 184 H CB 0.303 30.035 29.762 -0.050 0.000 1.699 184 H HN 0.408 nan 8.280 nan 0.000 0.523 185 V N 4.540 124.321 119.914 -0.222 0.000 2.323 185 V HA -0.089 4.189 4.120 0.264 0.000 0.244 185 V C 0.972 176.908 176.094 -0.265 0.000 1.041 185 V CA 1.073 63.272 62.300 -0.168 0.000 1.025 185 V CB -0.218 31.570 31.823 -0.059 0.000 0.656 185 V HN 0.536 nan 8.190 nan 0.000 0.451 186 L N 0.160 121.161 121.223 -0.370 0.000 2.385 186 L HA 0.446 4.944 4.340 0.264 0.000 0.273 186 L C -0.228 176.495 176.870 -0.245 0.000 0.990 186 L CA -0.279 54.403 54.840 -0.263 0.000 0.821 186 L CB 2.196 44.078 42.059 -0.296 0.000 1.279 186 L HN 0.037 nan 8.230 nan 0.000 0.412 187 K N 2.514 122.923 120.400 0.015 0.000 2.090 187 K HA 0.507 4.985 4.320 0.264 0.000 0.250 187 K C -0.565 176.113 176.600 0.129 0.000 1.004 187 K CA -0.696 55.721 56.287 0.217 0.000 0.919 187 K CB 0.866 33.507 32.500 0.236 0.000 1.045 187 K HN 0.494 nan 8.250 nan 0.000 0.471 188 L N 3.513 124.765 121.223 0.048 0.000 2.597 188 L HA 0.076 4.574 4.340 0.264 0.000 0.271 188 L C 0.276 177.138 176.870 -0.013 0.000 1.157 188 L CA 0.011 54.825 54.840 -0.044 0.000 0.928 188 L CB -0.387 41.568 42.059 -0.174 0.000 1.216 188 L HN 0.779 nan 8.230 nan 0.000 0.481 189 T N -1.657 112.888 114.554 -0.014 0.000 2.887 189 T HA 0.372 4.880 4.350 0.264 0.000 0.292 189 T C 0.636 175.315 174.700 -0.035 0.000 1.087 189 T CA -0.965 61.134 62.100 -0.001 0.000 1.009 189 T CB 1.855 70.750 68.868 0.045 0.000 1.203 189 T HN 0.293 nan 8.240 nan 0.000 0.518 190 N N 1.341 120.030 118.700 -0.018 0.000 2.173 190 N HA -0.002 4.896 4.740 0.264 0.000 0.184 190 N C 0.623 176.114 175.510 -0.031 0.000 1.025 190 N CA 0.799 53.834 53.050 -0.025 0.000 0.852 190 N CB -0.827 37.654 38.487 -0.010 0.000 0.998 190 N HN 0.840 nan 8.380 nan 0.000 0.427 191 N N 0.629 119.322 118.700 -0.010 0.000 2.305 191 N HA -0.052 4.846 4.740 0.264 0.000 0.232 191 N C 0.784 176.289 175.510 -0.008 0.000 1.274 191 N CA 0.535 53.584 53.050 -0.002 0.000 0.870 191 N CB 0.409 38.906 38.487 0.017 0.000 1.105 191 N HN 0.156 nan 8.380 nan 0.000 0.436 192 S N -0.742 114.957 115.700 -0.001 0.000 2.830 192 S HA -0.028 4.600 4.470 0.264 0.000 0.249 192 S C 1.257 175.889 174.600 0.055 0.000 1.084 192 S CA 0.024 58.224 58.200 -0.000 0.000 0.852 192 S CB -0.491 62.690 63.200 -0.032 0.000 0.802 192 S HN 0.691 nan 8.310 nan 0.000 0.481 193 N N 2.255 120.970 118.700 0.025 0.000 2.216 193 N HA -0.136 4.762 4.740 0.264 0.000 0.183 193 N C 1.724 177.240 175.510 0.010 0.000 1.017 193 N CA 1.646 54.702 53.050 0.011 0.000 0.861 193 N CB -0.781 37.702 38.487 -0.007 0.000 0.986 193 N HN 0.501 nan 8.380 nan 0.000 0.428 194 Q N 0.017 119.830 119.800 0.023 0.000 2.224 194 Q HA -0.005 4.493 4.340 0.264 0.000 0.203 194 Q C 1.644 177.646 176.000 0.004 0.000 0.970 194 Q CA 0.909 56.715 55.803 0.004 0.000 0.865 194 Q CB -0.577 28.169 28.738 0.014 0.000 0.922 194 Q HN 0.435 nan 8.270 nan 0.000 0.445 195 F N 0.357 120.246 119.950 -0.102 0.000 2.163 195 F HA -0.076 4.609 4.527 0.264 0.000 0.297 195 F C 1.965 177.657 175.800 -0.180 0.000 1.094 195 F CA 1.528 59.449 58.000 -0.133 0.000 1.290 195 F CB -0.029 38.902 39.000 -0.115 0.000 1.017 195 F HN 0.135 nan 8.300 nan 0.000 0.483 196 Q N -0.497 119.301 119.800 -0.002 0.000 2.050 196 Q HA -0.193 4.305 4.340 0.264 0.000 0.202 196 Q C 2.225 178.094 176.000 -0.218 0.000 0.980 196 Q CA 2.495 58.227 55.803 -0.119 0.000 0.840 196 Q CB -0.698 28.011 28.738 -0.048 0.000 0.898 196 Q HN 0.544 nan 8.270 nan 0.000 0.424 197 T N -0.941 113.515 114.554 -0.164 0.000 2.867 197 T HA -0.087 4.422 4.350 0.264 0.000 0.268 197 T C 1.583 176.154 174.700 -0.215 0.000 1.057 197 T CA 0.833 62.836 62.100 -0.161 0.000 1.136 197 T CB -0.015 68.788 68.868 -0.109 0.000 0.874 197 T HN 0.075 nan 8.240 nan 0.000 0.466 198 E N 0.605 120.641 120.200 -0.273 0.000 2.418 198 E HA 0.065 4.573 4.350 0.264 0.000 0.197 198 E C 2.110 178.458 176.600 -0.420 0.000 1.026 198 E CA 0.245 56.458 56.400 -0.311 0.000 0.862 198 E CB 0.046 29.553 29.700 -0.321 0.000 0.799 198 E HN 0.465 nan 8.360 nan 0.000 0.518 199 V N -0.058 119.547 119.914 -0.515 0.000 2.326 199 V HA -0.039 4.239 4.120 0.264 0.000 0.238 199 V C 2.368 178.211 176.094 -0.417 0.000 1.038 199 V CA 1.611 63.528 62.300 -0.639 0.000 1.032 199 V CB -0.897 30.444 31.823 -0.803 0.000 0.675 199 V HN 0.278 nan 8.190 nan 0.000 0.467 200 G N 0.370 108.980 108.800 -0.316 0.000 2.550 200 G HA2 -0.403 3.715 3.960 0.264 0.000 0.222 200 G HA3 -0.403 3.715 3.960 0.264 0.000 0.222 200 G C 1.530 176.319 174.900 -0.185 0.000 1.113 200 G CA 1.608 46.577 45.100 -0.218 0.000 0.748 200 G HN 0.528 nan 8.290 nan 0.000 0.585 201 K N 0.369 120.651 120.400 -0.197 0.000 1.990 201 K HA -0.203 4.275 4.320 0.264 0.000 0.225 201 K C 1.104 177.617 176.600 -0.146 0.000 1.053 201 K CA 1.301 57.492 56.287 -0.161 0.000 0.982 201 K CB -0.349 32.048 32.500 -0.173 0.000 0.734 201 K HN 0.433 nan 8.250 nan 0.000 0.448 202 Q N 1.001 120.699 119.800 -0.171 0.000 2.364 202 Q HA 0.168 4.666 4.340 0.264 0.000 0.267 202 Q C -0.217 175.719 176.000 -0.107 0.000 0.999 202 Q CA -0.142 55.575 55.803 -0.144 0.000 0.886 202 Q CB 0.913 29.548 28.738 -0.172 0.000 1.243 202 Q HN 0.290 nan 8.270 nan 0.000 0.415 203 L N 2.044 123.226 121.223 -0.068 0.000 2.347 203 L HA 0.508 5.006 4.340 0.264 0.000 0.268 203 L C 0.619 177.502 176.870 0.022 0.000 1.019 203 L CA -1.080 53.740 54.840 -0.033 0.000 0.806 203 L CB 0.730 42.775 42.059 -0.023 0.000 1.339 203 L HN 0.632 nan 8.230 nan 0.000 0.463 204 I N -2.517 118.075 120.570 0.038 0.000 3.363 204 I HA 0.241 4.569 4.170 0.264 0.000 0.234 204 I C 0.566 176.791 176.117 0.181 0.000 1.263 204 I CA 0.111 61.472 61.300 0.101 0.000 0.921 204 I CB 0.576 38.600 38.000 0.040 0.000 1.614 204 I HN 0.578 nan 8.210 nan 0.000 0.879 205 S N -0.933 114.898 115.700 0.218 0.000 4.297 205 S HA 0.861 5.489 4.470 0.264 0.000 0.226 205 S C -0.409 174.297 174.600 0.178 0.000 1.134 205 S CA -0.169 58.168 58.200 0.229 0.000 1.591 205 S CB 0.772 64.175 63.200 0.338 0.000 1.393 205 S HN 1.407 nan 8.310 nan 0.000 0.727 206 G N 1.218 110.093 108.800 0.125 0.000 2.340 206 G HA2 0.445 4.563 3.960 0.264 0.000 0.298 206 G HA3 0.445 4.563 3.960 0.264 0.000 0.298 206 G C -2.082 172.860 174.900 0.070 0.000 1.498 206 G CA -0.100 45.061 45.100 0.102 0.000 0.847 206 G HN 1.122 nan 8.290 nan 0.000 0.594 207 N N -1.266 117.475 118.700 0.068 0.000 3.039 207 N HA 0.588 5.486 4.740 0.264 0.000 0.257 207 N C 0.336 175.884 175.510 0.063 0.000 1.497 207 N CA -0.915 52.178 53.050 0.071 0.000 0.861 207 N CB 0.781 39.319 38.487 0.086 0.000 1.479 207 N HN 0.400 nan 8.380 nan 0.000 0.547 208 L N -0.707 120.554 121.223 0.063 0.000 2.129 208 L HA 0.145 4.643 4.340 0.264 0.000 0.200 208 L C 0.116 177.006 176.870 0.033 0.000 1.159 208 L CA 0.473 55.335 54.840 0.036 0.000 0.795 208 L CB -0.668 41.403 42.059 0.020 0.000 0.951 208 L HN 0.767 nan 8.230 nan 0.000 0.463 209 D N 1.014 121.423 120.400 0.015 0.000 2.548 209 D HA -0.087 4.711 4.640 0.264 0.000 0.231 209 D C 0.764 177.114 176.300 0.083 0.000 1.142 209 D CA 0.702 54.706 54.000 0.007 0.000 0.866 209 D CB 1.225 41.977 40.800 -0.079 0.000 1.190 209 D HN 0.289 nan 8.370 nan 0.000 0.469 210 A N 3.298 126.159 122.820 0.069 0.000 1.841 210 A HA 0.047 4.525 4.320 0.264 0.000 0.214 210 A C -1.303 176.366 177.584 0.141 0.000 1.195 210 A CA 0.700 52.787 52.037 0.083 0.000 0.611 210 A CB -1.601 17.424 19.000 0.043 0.000 0.835 210 A HN 0.585 nan 8.150 nan 0.000 0.443 211 P HA 0.186 nan 4.420 nan 0.000 0.270 211 P C -0.109 177.430 177.300 0.400 0.000 1.223 211 P CA -0.003 63.209 63.100 0.187 0.000 0.785 211 P CB 0.404 32.034 31.700 -0.117 0.000 0.923 212 E N 0.195 120.658 120.200 0.439 0.000 2.292 212 E HA 0.382 4.890 4.350 0.264 0.000 0.258 212 E C 0.867 177.831 176.600 0.606 0.000 1.115 212 E CA -0.550 56.142 56.400 0.486 0.000 0.929 212 E CB 0.506 30.515 29.700 0.514 0.000 1.161 212 E HN 0.528 nan 8.360 nan 0.000 0.453 213 G N -0.320 108.765 108.800 0.474 0.000 4.291 213 G HA2 0.235 4.353 3.960 0.264 0.000 0.304 213 G HA3 0.235 4.353 3.960 0.264 0.000 0.304 213 G C 0.936 176.050 174.900 0.358 0.000 1.264 213 G CA 0.111 45.513 45.100 0.503 0.000 1.039 213 G HN 0.476 nan 8.290 nan 0.000 0.578 214 G N 0.791 109.818 108.800 0.380 0.000 2.462 214 G HA2 -0.196 3.922 3.960 0.264 0.000 0.220 214 G HA3 -0.196 3.922 3.960 0.264 0.000 0.220 214 G C 1.636 176.533 174.900 -0.006 0.000 1.121 214 G CA 0.464 45.581 45.100 0.029 0.000 0.758 214 G HN 0.473 nan 8.290 nan 0.000 0.559 215 L N 0.312 121.635 121.223 0.166 0.000 2.042 215 L HA -0.107 4.392 4.340 0.264 0.000 0.210 215 L C 2.588 179.475 176.870 0.028 0.000 1.076 215 L CA 1.402 56.310 54.840 0.113 0.000 0.749 215 L CB -0.376 41.857 42.059 0.289 0.000 0.893 215 L HN 0.173 nan 8.230 nan 0.000 0.432 216 D N 0.299 120.699 120.400 -0.001 0.000 2.149 216 D HA -0.183 4.615 4.640 0.264 0.000 0.198 216 D C 2.115 178.287 176.300 -0.214 0.000 0.990 216 D CA 1.456 55.388 54.000 -0.114 0.000 0.839 216 D CB 0.253 40.878 40.800 -0.292 0.000 0.948 216 D HN 0.271 nan 8.370 nan 0.000 0.460 217 A N 0.613 123.293 122.820 -0.234 0.000 1.933 217 A HA -0.169 4.309 4.320 0.264 0.000 0.218 217 A C 2.241 179.571 177.584 -0.423 0.000 1.175 217 A CA 1.663 53.479 52.037 -0.369 0.000 0.628 217 A CB -0.451 18.473 19.000 -0.127 0.000 0.814 217 A HN 0.197 nan 8.150 nan 0.000 0.444 218 M N -0.835 118.618 119.600 -0.246 0.000 2.163 218 M HA -0.204 4.434 4.480 0.264 0.000 0.258 218 M C 2.328 178.479 176.300 -0.248 0.000 1.071 218 M CA 1.666 56.844 55.300 -0.203 0.000 1.093 218 M CB -1.407 31.105 32.600 -0.146 0.000 1.285 218 M HN 0.345 nan 8.290 nan 0.000 0.420 219 M N 0.141 119.617 119.600 -0.207 0.000 2.082 219 M HA -0.230 4.408 4.480 0.264 0.000 0.258 219 M C 2.187 178.315 176.300 -0.287 0.000 1.071 219 M CA 1.840 57.023 55.300 -0.196 0.000 1.103 219 M CB -1.553 30.986 32.600 -0.100 0.000 1.307 219 M HN 0.399 nan 8.290 nan 0.000 0.409 220 Q N -0.492 119.073 119.800 -0.393 0.000 2.217 220 Q HA -0.172 4.326 4.340 0.264 0.000 0.209 220 Q C 2.159 177.883 176.000 -0.460 0.000 0.988 220 Q CA 1.529 57.046 55.803 -0.476 0.000 0.878 220 Q CB -0.412 27.940 28.738 -0.644 0.000 0.909 220 Q HN 0.353 nan 8.270 nan 0.000 0.424 221 V N 0.885 120.486 119.914 -0.522 0.000 2.216 221 V HA -0.212 4.067 4.120 0.264 0.000 0.242 221 V C 1.378 177.379 176.094 -0.155 0.000 1.042 221 V CA 1.735 63.879 62.300 -0.259 0.000 0.991 221 V CB -0.660 31.021 31.823 -0.238 0.000 0.633 221 V HN 0.376 nan 8.190 nan 0.000 0.449 222 A N -0.988 121.676 122.820 -0.260 0.000 3.135 222 A HA 0.640 5.118 4.320 0.264 0.000 0.253 222 A C 1.094 178.518 177.584 -0.266 0.000 1.638 222 A CA 0.727 52.554 52.037 -0.350 0.000 1.295 222 A CB -0.418 18.311 19.000 -0.452 0.000 1.106 222 A HN 0.558 nan 8.150 nan 0.000 0.648 223 A N -0.675 122.021 122.820 -0.207 0.000 1.964 223 A HA 0.333 4.811 4.320 0.264 0.000 0.198 223 A C 0.965 178.455 177.584 -0.157 0.000 1.599 223 A CA 1.057 52.980 52.037 -0.191 0.000 0.968 223 A CB -0.054 18.811 19.000 -0.225 0.000 1.029 223 A HN 1.405 nan 8.150 nan 0.000 0.508 224 c N -2.591 115.935 118.600 -0.123 0.000 3.452 224 c HA 0.592 5.320 4.570 0.264 0.000 0.251 224 c C -2.624 171.460 174.090 -0.010 0.000 1.160 224 c CA -1.641 54.639 56.329 -0.080 0.000 1.328 224 c CB 0.146 42.585 42.510 -0.118 0.000 1.819 224 c HN 0.204 nan 8.230 nan 0.000 0.543 225 P HA -0.005 nan 4.420 nan 0.000 0.244 225 P C 1.228 178.577 177.300 0.081 0.000 1.211 225 P CA 1.157 64.352 63.100 0.158 0.000 0.760 225 P CB 0.000 31.876 31.700 0.292 0.000 0.961 226 E N -0.087 120.133 120.200 0.034 0.000 2.478 226 E HA -0.119 4.389 4.350 0.264 0.000 0.198 226 E C 0.936 177.547 176.600 0.018 0.000 1.046 226 E CA 0.772 57.186 56.400 0.023 0.000 0.870 226 E CB 0.011 29.717 29.700 0.011 0.000 0.818 226 E HN 0.502 nan 8.360 nan 0.000 0.527 227 E N -1.017 119.188 120.200 0.008 0.000 2.603 227 E HA 0.162 4.670 4.350 0.264 0.000 0.224 227 E C 1.395 177.967 176.600 -0.046 0.000 0.896 227 E CA -0.024 56.373 56.400 -0.005 0.000 1.224 227 E CB 0.752 30.448 29.700 -0.006 0.000 1.206 227 E HN 0.107 nan 8.360 nan 0.000 0.576 228 I N 0.280 120.817 120.570 -0.054 0.000 3.883 228 I HA 0.225 4.553 4.170 0.264 0.000 0.305 228 I C 0.823 176.903 176.117 -0.062 0.000 1.247 228 I CA 0.385 61.585 61.300 -0.167 0.000 1.350 228 I CB 0.829 38.731 38.000 -0.164 0.000 1.194 228 I HN 0.100 nan 8.210 nan 0.000 0.441 229 G N 1.115 109.939 108.800 0.040 0.000 2.850 229 G HA2 -0.232 3.886 3.960 0.264 0.000 0.686 229 G HA3 -0.232 3.886 3.960 0.264 0.000 0.686 229 G C -1.362 173.511 174.900 -0.045 0.000 1.164 229 G CA -0.718 44.407 45.100 0.042 0.000 0.826 229 G HN 0.225 nan 8.290 nan 0.000 0.586 230 W N 1.257 122.575 121.300 0.030 0.000 3.372 230 W HA 0.636 5.453 4.660 0.261 0.000 0.315 230 W C 0.164 176.698 176.519 0.026 0.000 1.223 230 W CA -1.125 56.238 57.345 0.030 0.000 1.202 230 W CB 1.622 31.079 29.460 -0.004 0.000 1.367 230 W HN 0.832 nan 8.180 nan 0.000 0.531 231 R N 1.667 122.344 120.500 0.294 0.000 2.694 231 R HA 0.081 4.580 4.340 0.264 0.000 0.268 231 R C 0.757 177.164 176.300 0.178 0.000 1.061 231 R CA 0.442 56.655 56.100 0.189 0.000 1.133 231 R CB 0.360 30.757 30.300 0.162 0.000 1.020 231 R HN 0.417 nan 8.270 nan 0.000 0.475 232 N N 1.610 120.376 118.700 0.111 0.000 2.313 232 N HA 0.074 4.972 4.740 0.264 0.000 0.207 232 N C -0.295 175.244 175.510 0.049 0.000 1.141 232 N CA 0.094 53.187 53.050 0.071 0.000 0.830 232 N CB 0.383 38.901 38.487 0.051 0.000 1.008 232 N HN 0.365 nan 8.380 nan 0.000 0.481 233 V N -1.902 118.055 119.914 0.071 0.000 3.949 233 V HA 0.313 4.591 4.120 0.264 0.000 0.195 233 V C 0.547 176.672 176.094 0.052 0.000 1.114 233 V CA 0.233 62.561 62.300 0.046 0.000 1.384 233 V CB 0.131 32.006 31.823 0.086 0.000 1.685 233 V HN 0.065 nan 8.190 nan 0.000 0.492 234 T N 1.722 116.342 114.554 0.110 0.000 2.925 234 T HA 0.677 5.185 4.350 0.264 0.000 0.285 234 T C -0.616 174.180 174.700 0.160 0.000 1.021 234 T CA -0.401 61.764 62.100 0.109 0.000 1.042 234 T CB 1.250 70.214 68.868 0.160 0.000 1.037 234 T HN 0.311 nan 8.240 nan 0.000 0.481 235 R N 1.798 122.363 120.500 0.107 0.000 2.810 235 R HA 0.346 4.844 4.340 0.264 0.000 0.280 235 R C -1.792 174.557 176.300 0.083 0.000 1.517 235 R CA -0.711 55.508 56.100 0.197 0.000 1.063 235 R CB 0.683 30.946 30.300 -0.061 0.000 1.275 235 R HN 0.260 nan 8.270 nan 0.000 0.464 236 L N 3.299 124.614 121.223 0.153 0.000 2.307 236 L HA 0.512 5.011 4.340 0.264 0.000 0.284 236 L C -0.474 176.485 176.870 0.149 0.000 1.023 236 L CA -0.559 54.318 54.840 0.061 0.000 0.810 236 L CB 1.322 43.381 42.059 -0.001 0.000 1.231 236 L HN 0.347 nan 8.230 nan 0.000 0.423 237 L N 2.871 124.134 121.223 0.067 0.000 2.298 237 L HA 0.791 5.289 4.340 0.264 0.000 0.268 237 L C -0.701 176.178 176.870 0.016 0.000 1.010 237 L CA -0.702 54.211 54.840 0.120 0.000 0.812 237 L CB 2.148 44.258 42.059 0.086 0.000 1.331 237 L HN 0.297 nan 8.230 nan 0.000 0.450 238 V N 1.027 120.957 119.914 0.027 0.000 2.610 238 V HA 0.450 4.728 4.120 0.264 0.000 0.298 238 V C -1.504 174.547 176.094 -0.072 0.000 1.067 238 V CA -0.476 61.784 62.300 -0.067 0.000 0.894 238 V CB 1.397 33.172 31.823 -0.081 0.000 1.015 238 V HN 0.490 nan 8.190 nan 0.000 0.432 239 F N 5.998 125.816 119.950 -0.221 0.000 2.396 239 F HA 0.816 5.497 4.527 0.257 0.000 0.343 239 F C 0.441 176.175 175.800 -0.110 0.000 1.104 239 F CA 0.379 58.293 58.000 -0.143 0.000 1.161 239 F CB 1.547 40.430 39.000 -0.195 0.000 1.146 239 F HN 0.778 nan 8.300 nan 0.000 0.522 240 A N 4.018 126.590 122.820 -0.414 0.000 2.414 240 A HA 0.644 5.122 4.320 0.264 0.000 0.286 240 A C -0.799 176.651 177.584 -0.223 0.000 1.073 240 A CA -0.377 51.517 52.037 -0.239 0.000 0.727 240 A CB 1.380 20.212 19.000 -0.279 0.000 1.215 240 A HN 0.724 nan 8.150 nan 0.000 0.430 241 T N 1.169 115.708 114.554 -0.024 0.000 3.289 241 T HA 0.393 4.901 4.350 0.264 0.000 0.370 241 T C -1.744 173.069 174.700 0.187 0.000 1.546 241 T CA -0.052 62.092 62.100 0.073 0.000 1.144 241 T CB 0.946 69.924 68.868 0.182 0.000 1.379 241 T HN 0.777 nan 8.240 nan 0.000 0.478 242 D N 2.765 123.255 120.400 0.150 0.000 2.889 242 D HA 0.381 5.179 4.640 0.264 0.000 0.243 242 D C -0.116 176.293 176.300 0.182 0.000 1.270 242 D CA -0.186 53.910 54.000 0.161 0.000 0.838 242 D CB 0.144 41.011 40.800 0.112 0.000 1.040 242 D HN 0.415 nan 8.370 nan 0.000 0.480 243 D N -1.334 119.220 120.400 0.256 0.000 2.643 243 D HA 0.411 5.209 4.640 0.264 0.000 0.283 243 D C 0.634 177.149 176.300 0.357 0.000 1.242 243 D CA -0.828 53.327 54.000 0.257 0.000 0.863 243 D CB 1.246 42.191 40.800 0.241 0.000 1.382 243 D HN 0.142 nan 8.370 nan 0.000 0.444 244 G N -0.552 108.421 108.800 0.288 0.000 2.481 244 G HA2 0.501 4.619 3.960 0.264 0.000 0.251 244 G HA3 0.501 4.619 3.960 0.264 0.000 0.251 244 G C -0.724 174.511 174.900 0.558 0.000 1.492 244 G CA -0.062 45.230 45.100 0.321 0.000 1.060 244 G HN 0.429 nan 8.290 nan 0.000 0.553 245 F N -2.789 117.208 119.950 0.079 0.000 2.670 245 F HA 0.505 5.191 4.527 0.265 0.000 0.332 245 F C -1.270 174.508 175.800 -0.036 0.000 1.179 245 F CA -1.572 56.529 58.000 0.168 0.000 1.076 245 F CB 0.140 39.274 39.000 0.223 0.000 1.322 245 F HN 0.413 nan 8.300 nan 0.000 0.515 246 H N 3.787 122.833 119.070 -0.040 0.000 2.527 246 H HA 0.657 5.397 4.556 0.307 0.000 0.321 246 H C -0.434 174.721 175.328 -0.287 0.000 1.087 246 H CA -0.101 55.670 56.048 -0.462 0.000 1.337 246 H CB 1.031 30.467 29.762 -0.543 0.000 1.440 246 H HN 0.585 nan 8.280 nan 0.000 0.490 247 F N 0.164 120.047 119.950 -0.111 0.000 2.671 247 F HA 0.778 5.472 4.527 0.279 0.000 0.373 247 F C 0.473 176.276 175.800 0.004 0.000 1.122 247 F CA -1.853 56.163 58.000 0.027 0.000 1.082 247 F CB 0.064 39.072 39.000 0.014 0.000 1.399 247 F HN 0.519 nan 8.300 nan 0.000 0.509 248 A N 0.037 123.067 122.820 0.351 0.000 2.577 248 A HA 0.394 4.872 4.320 0.264 0.000 0.233 248 A C 1.440 179.118 177.584 0.157 0.000 1.076 248 A CA 1.012 53.174 52.037 0.210 0.000 0.767 248 A CB -1.210 17.871 19.000 0.135 0.000 1.017 248 A HN 2.175 nan 8.150 nan 0.000 0.511 249 G N 0.575 109.426 108.800 0.086 0.000 2.358 249 G HA2 -0.274 3.844 3.960 0.264 0.000 0.224 249 G HA3 -0.274 3.844 3.960 0.264 0.000 0.224 249 G C 0.611 175.520 174.900 0.015 0.000 1.073 249 G CA 0.870 46.001 45.100 0.052 0.000 0.635 249 G HN 0.694 nan 8.290 nan 0.000 0.509 250 D N 1.201 121.577 120.400 -0.041 0.000 2.310 250 D HA 0.138 4.936 4.640 0.264 0.000 0.212 250 D C 2.364 178.733 176.300 0.116 0.000 0.965 250 D CA 1.444 55.414 54.000 -0.050 0.000 0.879 250 D CB -0.804 39.896 40.800 -0.167 0.000 0.921 250 D HN 0.591 nan 8.370 nan 0.000 0.510 251 G N 0.750 109.649 108.800 0.166 0.000 2.443 251 G HA2 -0.287 3.831 3.960 0.264 0.000 0.219 251 G HA3 -0.287 3.831 3.960 0.264 0.000 0.219 251 G C 1.496 176.482 174.900 0.144 0.000 1.131 251 G CA 0.476 45.716 45.100 0.233 0.000 0.775 251 G HN 0.270 nan 8.290 nan 0.000 0.547 252 K N 0.005 120.455 120.400 0.083 0.000 2.281 252 K HA 0.033 4.511 4.320 0.264 0.000 0.203 252 K C 2.295 178.927 176.600 0.054 0.000 1.046 252 K CA 0.565 56.884 56.287 0.053 0.000 0.938 252 K CB -0.204 32.312 32.500 0.027 0.000 0.737 252 K HN 0.358 nan 8.250 nan 0.000 0.458 253 L N -0.545 120.716 121.223 0.064 0.000 2.093 253 L HA -0.073 4.426 4.340 0.264 0.000 0.208 253 L C 2.084 179.003 176.870 0.082 0.000 1.085 253 L CA 1.241 56.103 54.840 0.037 0.000 0.755 253 L CB -0.316 41.722 42.059 -0.034 0.000 0.904 253 L HN 0.272 nan 8.230 nan 0.000 0.435 254 G N -1.236 107.661 108.800 0.163 0.000 3.379 254 G HA2 0.320 4.438 3.960 0.264 0.000 0.253 254 G HA3 0.320 4.438 3.960 0.264 0.000 0.253 254 G C 0.947 175.912 174.900 0.108 0.000 1.262 254 G CA 0.302 45.501 45.100 0.165 0.000 0.959 254 G HN 0.411 nan 8.290 nan 0.000 0.524 255 A N -0.275 122.592 122.820 0.079 0.000 2.822 255 A HA -0.197 4.281 4.320 0.264 0.000 0.287 255 A C 0.502 178.119 177.584 0.056 0.000 1.479 255 A CA 1.193 53.264 52.037 0.057 0.000 0.779 255 A CB -2.481 16.550 19.000 0.053 0.000 1.022 255 A HN 1.400 nan 8.150 nan 0.000 0.532 256 I N -4.058 116.548 120.570 0.061 0.000 2.439 256 I HA 0.683 5.011 4.170 0.264 0.000 0.283 256 I C 0.049 176.182 176.117 0.025 0.000 1.023 256 I CA -1.076 60.251 61.300 0.045 0.000 1.100 256 I CB 1.493 39.524 38.000 0.052 0.000 1.238 256 I HN -0.084 nan 8.210 nan 0.000 0.445 257 L N 5.118 126.349 121.223 0.013 0.000 3.110 257 L HA 0.241 4.739 4.340 0.264 0.000 0.266 257 L C 0.711 177.572 176.870 -0.014 0.000 1.257 257 L CA 0.182 55.022 54.840 0.000 0.000 1.038 257 L CB 0.398 42.461 42.059 0.007 0.000 1.395 257 L HN 0.752 nan 8.230 nan 0.000 0.566 258 T N -1.418 113.121 114.554 -0.024 0.000 2.738 258 T HA 0.505 5.013 4.350 0.264 0.000 0.298 258 T C -2.394 172.241 174.700 -0.109 0.000 0.962 258 T CA -1.848 60.234 62.100 -0.031 0.000 0.972 258 T CB 0.879 69.754 68.868 0.011 0.000 0.928 258 T HN -0.130 nan 8.240 nan 0.000 0.474 259 P HA 0.100 nan 4.420 nan 0.000 0.275 259 P C -0.115 177.045 177.300 -0.233 0.000 1.270 259 P CA -0.636 62.371 63.100 -0.155 0.000 0.791 259 P CB 0.571 32.230 31.700 -0.068 0.000 1.089 260 N N 1.223 119.774 118.700 -0.248 0.000 2.442 260 N HA -0.037 4.861 4.740 0.264 0.000 0.265 260 N C 0.814 176.423 175.510 0.164 0.000 1.138 260 N CA 0.064 53.059 53.050 -0.091 0.000 0.956 260 N CB 0.278 38.756 38.487 -0.015 0.000 1.067 260 N HN 0.348 nan 8.380 nan 0.000 0.474 261 D N 3.193 123.804 120.400 0.352 0.000 2.137 261 D HA 0.013 4.811 4.640 0.264 0.000 0.202 261 D C 1.125 177.516 176.300 0.151 0.000 0.970 261 D CA 1.405 55.531 54.000 0.210 0.000 0.837 261 D CB -0.116 40.819 40.800 0.225 0.000 0.981 261 D HN 0.724 nan 8.370 nan 0.000 0.475 262 G N 0.148 109.041 108.800 0.155 0.000 2.336 262 G HA2 -0.181 3.937 3.960 0.264 0.000 0.194 262 G HA3 -0.181 3.937 3.960 0.264 0.000 0.194 262 G C 0.281 175.157 174.900 -0.041 0.000 0.999 262 G CA -0.225 44.908 45.100 0.055 0.000 0.669 262 G HN 0.396 nan 8.290 nan 0.000 0.482 263 R N 0.596 121.059 120.500 -0.063 0.000 2.460 263 R HA 0.584 5.083 4.340 0.264 0.000 0.303 263 R C 0.663 176.668 176.300 -0.490 0.000 0.968 263 R CA -0.050 55.908 56.100 -0.236 0.000 0.889 263 R CB 1.560 31.743 30.300 -0.194 0.000 1.123 263 R HN 0.570 nan 8.270 nan 0.000 0.455 264 c N 1.604 119.900 118.600 -0.506 0.000 2.463 264 c HA 0.459 5.187 4.570 0.264 0.000 0.380 264 c C -0.022 173.688 174.090 -0.634 0.000 1.264 264 c CA -0.739 55.310 56.329 -0.467 0.000 2.161 264 c CB 0.210 42.553 42.510 -0.278 0.000 2.515 264 c HN 0.767 nan 8.230 nan 0.000 0.565 265 H N 4.269 123.291 119.070 -0.079 0.000 2.569 265 H HA 0.417 5.129 4.556 0.260 0.000 0.247 265 H C -0.544 174.780 175.328 -0.007 0.000 1.346 265 H CA -0.161 55.864 56.048 -0.038 0.000 1.502 265 H CB 0.698 30.433 29.762 -0.046 0.000 1.512 265 H HN 0.778 nan 8.280 nan 0.000 0.502 266 L N -1.206 120.067 121.223 0.083 0.000 2.334 266 L HA 0.534 5.033 4.340 0.264 0.000 0.270 266 L C 1.048 177.958 176.870 0.066 0.000 1.018 266 L CA -0.397 54.497 54.840 0.090 0.000 0.811 266 L CB 1.678 43.814 42.059 0.129 0.000 1.271 266 L HN 0.163 nan 8.230 nan 0.000 0.443 267 E N 0.375 120.605 120.200 0.050 0.000 2.508 267 E HA 0.036 4.544 4.350 0.264 0.000 0.217 267 E C -0.693 175.925 176.600 0.029 0.000 0.896 267 E CA 0.552 56.972 56.400 0.034 0.000 1.118 267 E CB 0.633 30.346 29.700 0.021 0.000 1.133 267 E HN 0.964 nan 8.360 nan 0.000 0.526 268 D N 0.057 120.476 120.400 0.033 0.000 2.997 268 D HA 0.112 4.911 4.640 0.264 0.000 0.362 268 D C -0.299 176.027 176.300 0.045 0.000 1.298 268 D CA -0.582 53.434 54.000 0.027 0.000 0.756 268 D CB -0.815 39.988 40.800 0.005 0.000 1.216 268 D HN -0.169 nan 8.370 nan 0.000 0.496 269 N N 0.291 119.035 118.700 0.073 0.000 2.678 269 N HA -0.222 4.676 4.740 0.264 0.000 0.249 269 N C -0.604 174.971 175.510 0.109 0.000 1.119 269 N CA 0.738 53.856 53.050 0.113 0.000 0.718 269 N CB -0.918 37.648 38.487 0.132 0.000 1.060 269 N HN 0.697 nan 8.380 nan 0.000 0.552 270 L N 0.222 121.520 121.223 0.124 0.000 2.543 270 L HA 0.336 4.834 4.340 0.264 0.000 0.265 270 L C -0.233 176.742 176.870 0.175 0.000 0.945 270 L CA -1.180 53.756 54.840 0.159 0.000 0.869 270 L CB 1.057 43.144 42.059 0.047 0.000 1.294 270 L HN 0.158 nan 8.230 nan 0.000 0.405 271 Y N 3.318 123.747 120.300 0.215 0.000 2.712 271 Y HA 0.241 4.937 4.550 0.244 0.000 0.333 271 Y C -0.155 175.803 175.900 0.097 0.000 1.225 271 Y CA 0.029 58.223 58.100 0.157 0.000 1.499 271 Y CB 0.453 39.020 38.460 0.178 0.000 1.288 271 Y HN 0.549 nan 8.280 nan 0.000 0.575 272 K N 4.130 124.473 120.400 -0.095 0.000 2.895 272 K HA 0.240 4.718 4.320 0.264 0.000 0.200 272 K C 0.216 176.814 176.600 -0.003 0.000 1.133 272 K CA -0.272 55.916 56.287 -0.167 0.000 1.060 272 K CB 0.573 32.991 32.500 -0.136 0.000 0.735 272 K HN 0.666 nan 8.250 nan 0.000 0.451 273 R N -0.531 120.021 120.500 0.086 0.000 2.412 273 R HA 0.042 4.540 4.340 0.264 0.000 0.212 273 R C 1.921 178.282 176.300 0.102 0.000 0.878 273 R CA 0.652 56.786 56.100 0.058 0.000 1.022 273 R CB 0.086 30.379 30.300 -0.012 0.000 1.265 273 R HN 0.166 nan 8.270 nan 0.000 0.620 274 S N 1.490 117.295 115.700 0.175 0.000 2.462 274 S HA -0.126 4.502 4.470 0.264 0.000 0.243 274 S C 1.309 176.020 174.600 0.185 0.000 1.003 274 S CA 1.281 59.581 58.200 0.167 0.000 0.970 274 S CB -0.170 63.063 63.200 0.055 0.000 0.762 274 S HN 0.168 nan 8.310 nan 0.000 0.510 275 N N 1.920 120.728 118.700 0.181 0.000 2.207 275 N HA 0.030 4.928 4.740 0.264 0.000 0.182 275 N C 0.417 176.000 175.510 0.122 0.000 1.020 275 N CA 1.099 54.224 53.050 0.126 0.000 0.858 275 N CB -0.377 38.176 38.487 0.109 0.000 0.991 275 N HN 0.589 nan 8.380 nan 0.000 0.427 276 E N -0.093 120.190 120.200 0.138 0.000 2.354 276 E HA 0.254 4.762 4.350 0.264 0.000 0.252 276 E C -0.999 175.732 176.600 0.217 0.000 1.330 276 E CA -0.223 56.256 56.400 0.132 0.000 1.658 276 E CB -0.404 29.353 29.700 0.094 0.000 1.460 276 E HN 0.217 nan 8.360 nan 0.000 0.435 277 F N -0.171 119.779 119.950 0.001 0.000 2.704 277 F HA 0.299 4.974 4.527 0.246 0.000 0.312 277 F C -1.769 174.007 175.800 -0.040 0.000 1.108 277 F CA -1.205 56.788 58.000 -0.012 0.000 1.005 277 F CB 1.393 40.385 39.000 -0.013 0.000 1.277 277 F HN -0.144 nan 8.300 nan 0.000 0.445 278 D N 2.561 122.440 120.400 -0.867 0.000 2.340 278 D HA 0.297 5.095 4.640 0.264 0.000 0.251 278 D C -0.981 174.851 176.300 -0.780 0.000 1.080 278 D CA 0.083 53.748 54.000 -0.557 0.000 0.971 278 D CB 0.849 41.474 40.800 -0.291 0.000 1.137 278 D HN 0.464 nan 8.370 nan 0.000 0.475 279 Y N 0.753 120.866 120.300 -0.312 0.000 2.597 279 Y HA 0.178 4.843 4.550 0.192 0.000 0.336 279 Y C -1.459 174.377 175.900 -0.107 0.000 1.216 279 Y CA -1.269 56.753 58.100 -0.129 0.000 1.463 279 Y CB 0.329 38.786 38.460 -0.005 0.000 1.303 279 Y HN 0.260 nan 8.280 nan 0.000 0.576 280 P HA -0.013 nan 4.420 nan 0.000 0.267 280 P C -0.590 176.802 177.300 0.152 0.000 1.209 280 P CA -0.211 62.962 63.100 0.122 0.000 0.763 280 P CB 0.517 32.295 31.700 0.130 0.000 0.816 281 S N 2.258 118.013 115.700 0.091 0.000 2.569 281 S HA -0.028 4.600 4.470 0.264 0.000 0.274 281 S C 1.421 176.059 174.600 0.063 0.000 1.353 281 S CA -0.312 57.937 58.200 0.080 0.000 1.023 281 S CB 0.327 63.539 63.200 0.020 0.000 0.876 281 S HN 0.311 nan 8.310 nan 0.000 0.540 282 V N 2.643 122.558 119.914 0.001 0.000 2.332 282 V HA -0.013 4.266 4.120 0.264 0.000 0.248 282 V C 2.100 178.172 176.094 -0.037 0.000 1.055 282 V CA 2.624 64.896 62.300 -0.046 0.000 1.038 282 V CB -1.404 30.287 31.823 -0.220 0.000 0.651 282 V HN 1.084 nan 8.190 nan 0.000 0.450 283 G N -1.583 107.186 108.800 -0.051 0.000 2.920 283 G HA2 -0.123 3.995 3.960 0.264 0.000 0.208 283 G HA3 -0.123 3.995 3.960 0.264 0.000 0.208 283 G C 1.290 176.176 174.900 -0.024 0.000 1.159 283 G CA 0.528 45.600 45.100 -0.048 0.000 0.784 283 G HN 0.613 nan 8.290 nan 0.000 0.535 284 Q N -0.371 119.425 119.800 -0.006 0.000 2.444 284 Q HA 0.260 4.758 4.340 0.264 0.000 0.206 284 Q C 1.728 177.742 176.000 0.024 0.000 0.948 284 Q CA 0.193 56.005 55.803 0.015 0.000 0.946 284 Q CB -0.026 28.727 28.738 0.024 0.000 1.027 284 Q HN 0.504 nan 8.270 nan 0.000 0.513 285 L N -1.439 119.783 121.223 -0.002 0.000 2.435 285 L HA 0.279 4.777 4.340 0.264 0.000 0.195 285 L C 2.258 179.094 176.870 -0.057 0.000 1.072 285 L CA 0.593 55.408 54.840 -0.040 0.000 0.833 285 L CB -0.567 41.457 42.059 -0.058 0.000 1.081 285 L HN 0.138 nan 8.230 nan 0.000 0.485 286 A N -0.531 122.259 122.820 -0.051 0.000 2.148 286 A HA -0.283 4.195 4.320 0.264 0.000 0.222 286 A C 2.089 179.640 177.584 -0.055 0.000 1.161 286 A CA 1.955 53.947 52.037 -0.075 0.000 0.662 286 A CB -0.957 17.998 19.000 -0.074 0.000 0.799 286 A HN 0.569 nan 8.150 nan 0.000 0.466 287 H N -1.014 117.989 119.070 -0.112 0.000 2.276 287 H HA 0.018 4.731 4.556 0.263 0.000 0.324 287 H C 2.162 177.423 175.328 -0.112 0.000 1.093 287 H CA 1.510 57.494 56.048 -0.107 0.000 1.539 287 H CB -0.072 29.638 29.762 -0.086 0.000 1.479 287 H HN 0.321 nan 8.280 nan 0.000 0.582 288 K N 1.051 121.380 120.400 -0.118 0.000 2.044 288 K HA -0.145 4.334 4.320 0.264 0.000 0.210 288 K C 2.445 178.905 176.600 -0.233 0.000 1.049 288 K CA 1.597 57.769 56.287 -0.191 0.000 0.927 288 K CB -0.950 31.520 32.500 -0.050 0.000 0.713 288 K HN 0.254 nan 8.250 nan 0.000 0.443 289 L N 0.493 121.601 121.223 -0.192 0.000 1.970 289 L HA -0.096 4.403 4.340 0.264 0.000 0.212 289 L C 2.092 178.814 176.870 -0.247 0.000 1.071 289 L CA 2.519 57.225 54.840 -0.224 0.000 0.751 289 L CB -1.171 40.773 42.059 -0.191 0.000 0.889 289 L HN 0.257 nan 8.230 nan 0.000 0.432 290 A N -1.474 121.210 122.820 -0.228 0.000 2.172 290 A HA -0.186 4.292 4.320 0.264 0.000 0.216 290 A C 2.243 179.683 177.584 -0.240 0.000 1.154 290 A CA 1.376 53.276 52.037 -0.227 0.000 0.701 290 A CB -0.708 18.167 19.000 -0.208 0.000 0.789 290 A HN 0.685 nan 8.150 nan 0.000 0.465 291 E N 0.105 120.134 120.200 -0.284 0.000 2.122 291 E HA -0.107 4.401 4.350 0.264 0.000 0.190 291 E C 0.510 176.972 176.600 -0.230 0.000 0.977 291 E CA 0.786 57.019 56.400 -0.278 0.000 0.820 291 E CB -0.033 29.446 29.700 -0.369 0.000 0.770 291 E HN 0.507 nan 8.360 nan 0.000 0.462 292 N N 1.307 119.852 118.700 -0.259 0.000 2.313 292 N HA 0.036 4.935 4.740 0.264 0.000 0.207 292 N C -0.840 174.499 175.510 -0.285 0.000 1.141 292 N CA 0.241 53.127 53.050 -0.274 0.000 0.830 292 N CB 0.002 38.279 38.487 -0.349 0.000 1.008 292 N HN 0.224 nan 8.380 nan 0.000 0.481 293 N N 0.038 118.590 118.700 -0.246 0.000 2.740 293 N HA -0.182 4.716 4.740 0.264 0.000 0.248 293 N C -1.085 174.266 175.510 -0.265 0.000 1.062 293 N CA 0.329 53.238 53.050 -0.235 0.000 0.704 293 N CB -1.151 37.225 38.487 -0.186 0.000 0.968 293 N HN 0.353 nan 8.380 nan 0.000 0.547 294 I N 0.484 120.875 120.570 -0.298 0.000 2.493 294 I HA 0.322 4.650 4.170 0.264 0.000 0.298 294 I C -0.232 175.739 176.117 -0.243 0.000 0.998 294 I CA -0.615 60.504 61.300 -0.303 0.000 1.137 294 I CB 1.688 39.437 38.000 -0.418 0.000 1.310 294 I HN 0.002 nan 8.210 nan 0.000 0.445 295 Q N 6.023 125.701 119.800 -0.204 0.000 2.444 295 Q HA 0.394 4.892 4.340 0.264 0.000 0.251 295 Q C -2.565 173.308 176.000 -0.212 0.000 0.939 295 Q CA -1.833 53.848 55.803 -0.205 0.000 0.740 295 Q CB 2.047 30.674 28.738 -0.185 0.000 1.308 295 Q HN 0.244 nan 8.270 nan 0.000 0.461 296 P HA 0.199 nan 4.420 nan 0.000 0.271 296 P C -0.222 176.810 177.300 -0.447 0.000 1.233 296 P CA 0.011 62.906 63.100 -0.342 0.000 0.789 296 P CB 0.775 32.189 31.700 -0.476 0.000 0.951 297 I N 1.671 122.013 120.570 -0.381 0.000 2.495 297 I HA 0.235 4.563 4.170 0.264 0.000 0.277 297 I C -0.330 175.629 176.117 -0.263 0.000 1.045 297 I CA -0.752 60.365 61.300 -0.305 0.000 1.135 297 I CB 0.350 38.266 38.000 -0.140 0.000 1.241 297 I HN 0.147 nan 8.210 nan 0.000 0.469 298 F N 4.783 124.670 119.950 -0.104 0.000 2.602 298 F HA 0.265 4.948 4.527 0.261 0.000 0.385 298 F C 0.958 176.702 175.800 -0.093 0.000 1.063 298 F CA 0.002 57.895 58.000 -0.178 0.000 1.233 298 F CB 0.349 39.204 39.000 -0.242 0.000 1.067 298 F HN 0.490 nan 8.300 nan 0.000 0.564 299 A N 4.090 126.964 122.820 0.090 0.000 2.684 299 A HA 0.672 5.150 4.320 0.264 0.000 0.289 299 A C -0.823 176.812 177.584 0.085 0.000 1.139 299 A CA -0.343 51.742 52.037 0.080 0.000 0.793 299 A CB 0.416 19.445 19.000 0.048 0.000 1.334 299 A HN 0.863 nan 8.150 nan 0.000 0.408 300 V N -0.572 119.421 119.914 0.132 0.000 3.069 300 V HA 0.889 5.167 4.120 0.264 0.000 0.312 300 V C 0.346 176.537 176.094 0.161 0.000 1.369 300 V CA -0.228 62.176 62.300 0.173 0.000 1.047 300 V CB 0.786 32.795 31.823 0.310 0.000 1.098 300 V HN 1.265 nan 8.190 nan 0.000 0.473 301 T N -0.565 114.090 114.554 0.167 0.000 2.802 301 T HA 0.232 4.741 4.350 0.264 0.000 0.305 301 T C 1.299 176.073 174.700 0.123 0.000 1.053 301 T CA 0.453 62.630 62.100 0.128 0.000 1.058 301 T CB 0.713 69.651 68.868 0.117 0.000 0.988 301 T HN 1.819 nan 8.240 nan 0.000 0.539 302 S N -0.086 115.669 115.700 0.092 0.000 2.481 302 S HA -0.093 4.535 4.470 0.264 0.000 0.231 302 S C 1.882 176.523 174.600 0.068 0.000 0.996 302 S CA 0.246 58.492 58.200 0.077 0.000 0.942 302 S CB -0.519 62.716 63.200 0.059 0.000 0.768 302 S HN 0.769 nan 8.310 nan 0.000 0.520 303 R N 0.206 120.750 120.500 0.072 0.000 2.148 303 R HA 0.188 4.686 4.340 0.264 0.000 0.223 303 R C 0.817 177.151 176.300 0.057 0.000 1.088 303 R CA 0.851 56.985 56.100 0.058 0.000 0.985 303 R CB -0.048 30.289 30.300 0.061 0.000 0.880 303 R HN 0.384 nan 8.270 nan 0.000 0.451 304 M N 0.353 120.010 119.600 0.094 0.000 2.685 304 M HA 0.058 4.696 4.480 0.264 0.000 0.355 304 M C 1.102 177.479 176.300 0.128 0.000 1.197 304 M CA 0.056 55.406 55.300 0.082 0.000 0.947 304 M CB 1.027 33.745 32.600 0.196 0.000 1.346 304 M HN -0.024 nan 8.290 nan 0.000 0.516 305 V N 1.111 121.086 119.914 0.102 0.000 2.446 305 V HA -0.054 4.224 4.120 0.264 0.000 0.244 305 V C 1.793 177.917 176.094 0.049 0.000 1.039 305 V CA 1.749 64.116 62.300 0.112 0.000 1.045 305 V CB 0.107 31.982 31.823 0.087 0.000 0.681 305 V HN 0.415 nan 8.190 nan 0.000 0.459 306 K N -0.609 119.795 120.400 0.008 0.000 2.444 306 K HA 0.053 4.532 4.320 0.264 0.000 0.193 306 K C 1.740 178.302 176.600 -0.064 0.000 1.024 306 K CA 0.820 57.096 56.287 -0.019 0.000 1.077 306 K CB 0.220 32.714 32.500 -0.009 0.000 0.833 306 K HN 0.480 nan 8.250 nan 0.000 0.517 307 T N -0.862 113.622 114.554 -0.118 0.000 3.031 307 T HA -0.015 4.493 4.350 0.264 0.000 0.254 307 T C 1.154 175.651 174.700 -0.338 0.000 1.060 307 T CA 0.627 62.609 62.100 -0.197 0.000 1.135 307 T CB 0.026 68.762 68.868 -0.221 0.000 0.896 307 T HN 0.119 nan 8.240 nan 0.000 0.472 308 Y N 1.323 121.450 120.300 -0.287 0.000 2.544 308 Y HA 0.280 4.986 4.550 0.261 0.000 0.286 308 Y C 2.263 177.844 175.900 -0.532 0.000 1.141 308 Y CA 0.303 58.014 58.100 -0.647 0.000 1.299 308 Y CB -0.201 37.790 38.460 -0.781 0.000 1.030 308 Y HN 0.286 nan 8.280 nan 0.000 0.543 309 E N 0.840 120.958 120.200 -0.135 0.000 2.072 309 E HA -0.135 4.373 4.350 0.264 0.000 0.191 309 E C 1.838 178.388 176.600 -0.082 0.000 0.985 309 E CA 1.333 57.687 56.400 -0.076 0.000 0.801 309 E CB 0.040 29.723 29.700 -0.028 0.000 0.750 309 E HN -0.041 nan 8.360 nan 0.000 0.452 310 K N 0.058 120.401 120.400 -0.094 0.000 2.283 310 K HA -0.075 4.403 4.320 0.264 0.000 0.202 310 K C 1.897 178.441 176.600 -0.093 0.000 1.048 310 K CA 0.523 56.765 56.287 -0.076 0.000 0.948 310 K CB -0.275 32.185 32.500 -0.066 0.000 0.742 310 K HN 0.233 nan 8.250 nan 0.000 0.458 311 L N 1.018 122.142 121.223 -0.164 0.000 2.313 311 L HA -0.008 4.491 4.340 0.264 0.000 0.214 311 L C 1.707 178.531 176.870 -0.077 0.000 1.119 311 L CA 1.587 56.322 54.840 -0.174 0.000 0.809 311 L CB -0.510 41.329 42.059 -0.367 0.000 0.933 311 L HN -0.005 nan 8.230 nan 0.000 0.449 312 T N -0.480 114.037 114.554 -0.061 0.000 2.821 312 T HA -0.092 4.416 4.350 0.264 0.000 0.267 312 T C 1.646 176.381 174.700 0.058 0.000 1.046 312 T CA 1.208 63.359 62.100 0.085 0.000 1.139 312 T CB -0.083 68.839 68.868 0.090 0.000 0.871 312 T HN 0.347 nan 8.240 nan 0.000 0.454 313 E N 1.036 121.245 120.200 0.014 0.000 2.049 313 E HA -0.108 4.400 4.350 0.264 0.000 0.198 313 E C 2.210 178.807 176.600 -0.004 0.000 1.007 313 E CA 0.923 57.329 56.400 0.009 0.000 0.809 313 E CB -0.363 29.330 29.700 -0.011 0.000 0.749 313 E HN 0.365 nan 8.360 nan 0.000 0.450 314 I N 1.208 121.765 120.570 -0.023 0.000 2.055 314 I HA -0.132 4.196 4.170 0.264 0.000 0.228 314 I C 1.858 177.945 176.117 -0.051 0.000 1.050 314 I CA 0.352 61.626 61.300 -0.043 0.000 1.326 314 I CB -1.022 36.947 38.000 -0.051 0.000 1.077 314 I HN 0.081 nan 8.210 nan 0.000 0.392 315 I N 2.602 123.154 120.570 -0.030 0.000 2.752 315 I HA 0.010 4.338 4.170 0.264 0.000 0.287 315 I C -2.020 174.060 176.117 -0.062 0.000 1.188 315 I CA -1.185 60.084 61.300 -0.052 0.000 1.427 315 I CB 0.967 38.960 38.000 -0.013 0.000 1.365 315 I HN 0.041 nan 8.210 nan 0.000 0.585 316 P HA 0.139 nan 4.420 nan 0.000 0.276 316 P C -1.402 175.874 177.300 -0.041 0.000 1.261 316 P CA -0.479 62.486 63.100 -0.224 0.000 0.800 316 P CB 0.294 31.638 31.700 -0.594 0.000 1.066 317 K N -0.560 119.946 120.400 0.177 0.000 4.838 317 K HA -0.061 4.417 4.320 0.264 0.000 0.300 317 K C -0.692 175.909 176.600 0.002 0.000 0.861 317 K CA 0.679 57.045 56.287 0.133 0.000 0.929 317 K CB -2.159 30.372 32.500 0.052 0.000 1.772 317 K HN 0.683 nan 8.250 nan 0.000 0.422 318 S N -0.813 114.913 115.700 0.044 0.000 2.562 318 S HA 0.749 5.377 4.470 0.264 0.000 0.274 318 S C -0.745 173.923 174.600 0.114 0.000 1.160 318 S CA -0.615 57.581 58.200 -0.006 0.000 0.933 318 S CB 2.294 65.520 63.200 0.044 0.000 1.100 318 S HN 0.537 nan 8.310 nan 0.000 0.468 319 A N 1.939 124.807 122.820 0.079 0.000 2.330 319 A HA 0.935 5.414 4.320 0.264 0.000 0.329 319 A C -0.011 177.713 177.584 0.232 0.000 1.135 319 A CA -0.697 51.419 52.037 0.131 0.000 0.817 319 A CB 1.299 20.335 19.000 0.061 0.000 1.269 319 A HN 1.986 nan 8.150 nan 0.000 0.469 320 V N -0.976 119.049 119.914 0.184 0.000 2.435 320 V HA 0.876 5.154 4.120 0.264 0.000 0.290 320 V C 0.149 176.319 176.094 0.128 0.000 1.030 320 V CA 0.071 62.479 62.300 0.179 0.000 0.881 320 V CB 1.134 33.030 31.823 0.122 0.000 0.983 320 V HN 1.414 nan 8.190 nan 0.000 0.445 321 G N 3.003 111.881 108.800 0.129 0.000 2.990 321 G HA2 0.412 4.530 3.960 0.264 0.000 0.300 321 G HA3 0.412 4.530 3.960 0.264 0.000 0.300 321 G C -0.573 174.388 174.900 0.102 0.000 1.498 321 G CA -0.331 44.830 45.100 0.101 0.000 1.074 321 G HN 0.811 nan 8.290 nan 0.000 0.542 322 E N 2.549 122.804 120.200 0.091 0.000 2.290 322 E HA 0.370 4.878 4.350 0.264 0.000 0.277 322 E C -0.572 176.075 176.600 0.079 0.000 1.035 322 E CA -0.160 56.293 56.400 0.088 0.000 0.873 322 E CB 1.003 30.749 29.700 0.075 0.000 1.029 322 E HN 0.432 nan 8.360 nan 0.000 0.419 323 L N 1.018 122.290 121.223 0.082 0.000 2.403 323 L HA 0.583 5.081 4.340 0.264 0.000 0.253 323 L C -0.038 176.873 176.870 0.069 0.000 1.045 323 L CA -1.030 53.854 54.840 0.073 0.000 0.845 323 L CB 1.062 43.168 42.059 0.078 0.000 1.447 323 L HN 0.124 nan 8.230 nan 0.000 0.411 324 S N -0.411 115.325 115.700 0.061 0.000 2.600 324 S HA 0.157 4.785 4.470 0.264 0.000 0.265 324 S C 0.746 175.381 174.600 0.059 0.000 1.325 324 S CA -0.050 58.183 58.200 0.055 0.000 1.002 324 S CB 0.775 64.003 63.200 0.046 0.000 0.921 324 S HN 0.795 nan 8.310 nan 0.000 0.554 325 E N 1.022 121.254 120.200 0.053 0.000 2.512 325 E HA -0.072 4.436 4.350 0.264 0.000 0.195 325 E C 0.561 177.188 176.600 0.046 0.000 1.083 325 E CA 0.548 56.980 56.400 0.054 0.000 0.873 325 E CB -0.205 29.526 29.700 0.051 0.000 0.897 325 E HN 0.607 nan 8.360 nan 0.000 0.514 326 D N -1.957 118.469 120.400 0.044 0.000 2.407 326 D HA 0.050 4.848 4.640 0.264 0.000 0.208 326 D C 0.047 176.374 176.300 0.044 0.000 1.083 326 D CA 0.267 54.289 54.000 0.035 0.000 0.844 326 D CB -0.235 40.581 40.800 0.028 0.000 0.967 326 D HN -0.047 nan 8.370 nan 0.000 0.506 327 S N -0.730 115.007 115.700 0.061 0.000 3.641 327 S HA -0.222 4.406 4.470 0.264 0.000 0.346 327 S C 1.301 175.942 174.600 0.069 0.000 1.074 327 S CA 0.799 59.048 58.200 0.081 0.000 1.026 327 S CB -2.139 61.124 63.200 0.105 0.000 0.908 327 S HN 0.660 nan 8.310 nan 0.000 0.479 328 S N 1.291 117.023 115.700 0.053 0.000 2.404 328 S HA -0.049 4.579 4.470 0.264 0.000 0.223 328 S C 0.983 175.612 174.600 0.048 0.000 1.040 328 S CA 0.571 58.796 58.200 0.041 0.000 0.957 328 S CB -0.317 62.902 63.200 0.031 0.000 0.826 328 S HN 0.764 nan 8.310 nan 0.000 0.491 329 N N 1.975 120.708 118.700 0.055 0.000 2.597 329 N HA 0.154 5.052 4.740 0.264 0.000 0.269 329 N C 0.660 176.215 175.510 0.075 0.000 1.204 329 N CA -0.143 52.942 53.050 0.058 0.000 0.947 329 N CB 0.340 38.860 38.487 0.054 0.000 1.258 329 N HN 0.308 nan 8.380 nan 0.000 0.508 330 V N -0.444 119.523 119.914 0.089 0.000 2.788 330 V HA -0.026 4.252 4.120 0.264 0.000 0.251 330 V C 1.491 177.657 176.094 0.120 0.000 1.068 330 V CA 0.849 63.222 62.300 0.122 0.000 1.090 330 V CB 0.027 31.956 31.823 0.176 0.000 0.710 330 V HN 0.257 nan 8.190 nan 0.000 0.467 331 V N 0.004 119.974 119.914 0.094 0.000 2.871 331 V HA -0.154 4.125 4.120 0.264 0.000 0.256 331 V C 2.242 178.385 176.094 0.082 0.000 1.082 331 V CA 1.824 64.176 62.300 0.087 0.000 1.105 331 V CB -0.550 31.310 31.823 0.062 0.000 0.713 331 V HN 0.646 nan 8.190 nan 0.000 0.473 332 Q N -0.188 119.657 119.800 0.074 0.000 2.472 332 Q HA -0.016 4.482 4.340 0.264 0.000 0.208 332 Q C 2.009 178.055 176.000 0.076 0.000 0.958 332 Q CA 0.631 56.476 55.803 0.070 0.000 0.932 332 Q CB -0.047 28.727 28.738 0.060 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N -0.007 121.265 121.223 0.082 0.000 2.046 333 L HA -0.187 4.311 4.340 0.264 0.000 0.208 333 L C 1.996 178.910 176.870 0.073 0.000 1.077 333 L CA 1.077 55.963 54.840 0.076 0.000 0.747 333 L CB -0.233 41.873 42.059 0.079 0.000 0.896 333 L HN 0.340 nan 8.230 nan 0.000 0.432 334 I N -0.622 120.001 120.570 0.089 0.000 3.059 334 I HA -0.146 4.182 4.170 0.264 0.000 0.270 334 I C 2.329 178.541 176.117 0.158 0.000 1.238 334 I CA 0.334 61.696 61.300 0.104 0.000 1.478 334 I CB -0.137 37.941 38.000 0.130 0.000 1.097 334 I HN 0.127 nan 8.210 nan 0.000 0.455 335 K N 1.727 122.203 120.400 0.128 0.000 2.283 335 K HA -0.089 4.389 4.320 0.264 0.000 0.202 335 K C 1.272 177.940 176.600 0.113 0.000 1.048 335 K CA 1.403 57.764 56.287 0.122 0.000 0.948 335 K CB -0.087 32.465 32.500 0.086 0.000 0.742 335 K HN 0.214 nan 8.250 nan 0.000 0.458 336 N N -0.308 118.449 118.700 0.095 0.000 2.254 336 N HA 0.152 5.050 4.740 0.264 0.000 0.190 336 N C 0.888 176.439 175.510 0.069 0.000 1.107 336 N CA 0.699 53.797 53.050 0.080 0.000 0.869 336 N CB 0.491 39.019 38.487 0.068 0.000 0.983 336 N HN 0.232 nan 8.380 nan 0.000 0.487 337 A N 0.481 123.335 122.820 0.058 0.000 1.832 337 A HA -0.034 4.444 4.320 0.264 0.000 0.214 337 A C 1.601 179.173 177.584 -0.020 0.000 1.242 337 A CA 0.841 52.865 52.037 -0.023 0.000 0.603 337 A CB -1.186 17.748 19.000 -0.109 0.000 0.902 337 A HN 0.220 nan 8.150 nan 0.000 0.455 338 Y N 0.750 121.082 120.300 0.054 0.000 2.365 338 Y HA -0.254 4.455 4.550 0.265 0.000 0.287 338 Y C 2.508 178.443 175.900 0.059 0.000 1.162 338 Y CA 1.267 59.403 58.100 0.061 0.000 1.260 338 Y CB -0.333 38.162 38.460 0.058 0.000 0.976 338 Y HN 0.471 nan 8.280 nan 0.000 0.548 339 N N 0.771 119.581 118.700 0.184 0.000 2.061 339 N HA -0.189 4.710 4.740 0.264 0.000 0.193 339 N C 0.812 176.382 175.510 0.100 0.000 1.030 339 N CA 1.663 54.788 53.050 0.125 0.000 0.856 339 N CB -0.008 38.536 38.487 0.095 0.000 1.023 339 N HN 0.103 nan 8.380 nan 0.000 0.424 340 K N -0.494 119.955 120.400 0.081 0.000 2.619 340 K HA 0.157 4.635 4.320 0.264 0.000 0.201 340 K C 0.409 177.040 176.600 0.052 0.000 1.090 340 K CA -0.176 56.148 56.287 0.063 0.000 1.063 340 K CB 0.588 33.119 32.500 0.053 0.000 0.810 340 K HN 0.151 nan 8.250 nan 0.000 0.506 341 L N -0.127 121.128 121.223 0.053 0.000 2.500 341 L HA 0.247 4.745 4.340 0.264 0.000 0.219 341 L C 1.171 178.096 176.870 0.093 0.000 1.057 341 L CA 1.353 56.209 54.840 0.027 0.000 0.854 341 L CB 0.417 42.432 42.059 -0.075 0.000 1.078 341 L HN -0.132 nan 8.230 nan 0.000 0.480 342 S N -1.195 114.603 115.700 0.162 0.000 2.605 342 S HA 0.127 4.755 4.470 0.264 0.000 0.217 342 S C 1.605 176.325 174.600 0.200 0.000 0.958 342 S CA 0.578 58.929 58.200 0.251 0.000 0.919 342 S CB 0.071 63.471 63.200 0.333 0.000 0.780 342 S HN 0.414 nan 8.310 nan 0.000 0.507 343 S N 1.173 116.949 115.700 0.126 0.000 2.499 343 S HA 0.185 4.813 4.470 0.264 0.000 0.225 343 S C 0.772 175.378 174.600 0.010 0.000 1.050 343 S CA -0.116 58.132 58.200 0.080 0.000 0.928 343 S CB 0.216 63.452 63.200 0.060 0.000 0.803 343 S HN 0.355 nan 8.310 nan 0.000 0.506 344 R N 2.597 123.069 120.500 -0.047 0.000 2.609 344 R HA 0.221 4.719 4.340 0.264 0.000 0.271 344 R C -1.063 175.019 176.300 -0.363 0.000 1.403 344 R CA -0.077 55.850 56.100 -0.288 0.000 1.138 344 R CB -0.023 30.083 30.300 -0.323 0.000 1.142 344 R HN 0.088 nan 8.270 nan 0.000 0.559 345 V N 5.039 124.792 119.914 -0.269 0.000 2.439 345 V HA 0.130 4.408 4.120 0.264 0.000 0.271 345 V C 0.215 176.057 176.094 -0.421 0.000 1.040 345 V CA 0.319 62.477 62.300 -0.238 0.000 1.002 345 V CB -0.103 31.666 31.823 -0.090 0.000 1.000 345 V HN 0.434 nan 8.190 nan 0.000 0.477 346 F N 4.615 124.482 119.950 -0.139 0.000 2.470 346 F HA 0.668 5.353 4.527 0.264 0.000 0.329 346 F C 0.108 175.681 175.800 -0.379 0.000 1.072 346 F CA -0.732 57.138 58.000 -0.217 0.000 0.989 346 F CB 1.944 40.889 39.000 -0.092 0.000 1.193 346 F HN 0.279 nan 8.300 nan 0.000 0.481 347 L N 2.828 123.901 121.223 -0.249 0.000 2.559 347 L HA 0.323 4.821 4.340 0.264 0.000 0.276 347 L C -0.934 175.687 176.870 -0.415 0.000 1.457 347 L CA -0.028 54.549 54.840 -0.437 0.000 0.708 347 L CB -0.427 41.092 42.059 -0.901 0.000 0.987 347 L HN 0.454 nan 8.230 nan 0.000 0.518 348 D N 0.056 120.358 120.400 -0.164 0.000 2.507 348 D HA 0.555 5.353 4.640 0.264 0.000 0.280 348 D C -0.171 176.253 176.300 0.206 0.000 1.219 348 D CA 0.069 54.046 54.000 -0.039 0.000 1.085 348 D CB 0.625 41.334 40.800 -0.152 0.000 1.134 348 D HN 0.445 nan 8.370 nan 0.000 0.583 349 H N -1.971 117.148 119.070 0.082 0.000 3.017 349 H HA 0.368 5.082 4.556 0.264 0.000 0.346 349 H C -0.822 174.562 175.328 0.092 0.000 1.286 349 H CA -0.855 55.283 56.048 0.151 0.000 1.120 349 H CB 0.087 29.995 29.762 0.242 0.000 1.860 349 H HN 0.058 nan 8.280 nan 0.000 0.542 350 N N 0.031 118.846 118.700 0.193 0.000 2.395 350 N HA 0.188 5.086 4.740 0.264 0.000 0.246 350 N C 0.131 175.667 175.510 0.043 0.000 1.246 350 N CA 0.422 53.530 53.050 0.096 0.000 0.879 350 N CB 0.373 38.953 38.487 0.155 0.000 1.098 350 N HN 0.711 nan 8.380 nan 0.000 0.444 351 A N 2.277 125.086 122.820 -0.018 0.000 2.512 351 A HA 0.126 4.604 4.320 0.264 0.000 0.278 351 A C 0.237 177.827 177.584 0.009 0.000 1.128 351 A CA -0.214 51.801 52.037 -0.037 0.000 0.818 351 A CB -1.248 17.729 19.000 -0.038 0.000 1.044 351 A HN 0.587 nan 8.150 nan 0.000 0.526 352 L N 2.775 124.011 121.223 0.022 0.000 2.464 352 L HA 0.626 5.125 4.340 0.264 0.000 0.264 352 L C -1.827 175.024 176.870 -0.031 0.000 1.199 352 L CA -1.761 53.062 54.840 -0.029 0.000 0.818 352 L CB -0.890 41.088 42.059 -0.136 0.000 1.102 352 L HN 0.418 nan 8.230 nan 0.000 0.473 353 P HA 0.048 nan 4.420 nan 0.000 0.269 353 P C -0.286 176.989 177.300 -0.041 0.000 1.215 353 P CA -0.143 62.939 63.100 -0.030 0.000 0.780 353 P CB 0.490 32.176 31.700 -0.022 0.000 0.898 354 D N -0.193 120.183 120.400 -0.039 0.000 2.265 354 D HA -0.157 4.641 4.640 0.264 0.000 0.208 354 D C 1.148 177.416 176.300 -0.054 0.000 0.977 354 D CA 1.525 55.496 54.000 -0.048 0.000 0.871 354 D CB -1.389 39.379 40.800 -0.054 0.000 0.925 354 D HN 0.451 nan 8.370 nan 0.000 0.485 355 T N -2.211 112.316 114.554 -0.046 0.000 3.227 355 T HA 0.217 4.725 4.350 0.264 0.000 0.257 355 T C 0.699 175.375 174.700 -0.041 0.000 1.162 355 T CA -0.123 61.953 62.100 -0.040 0.000 1.051 355 T CB -0.448 68.402 68.868 -0.030 0.000 0.953 355 T HN 0.139 nan 8.240 nan 0.000 0.535 356 L N -0.199 120.991 121.223 -0.056 0.000 2.376 356 L HA 0.672 5.171 4.340 0.264 0.000 0.258 356 L C -0.845 175.979 176.870 -0.075 0.000 1.013 356 L CA -1.279 53.517 54.840 -0.074 0.000 0.822 356 L CB 2.276 44.263 42.059 -0.119 0.000 1.388 356 L HN -0.181 nan 8.230 nan 0.000 0.413 357 K N 1.886 122.237 120.400 -0.081 0.000 2.535 357 K HA 0.647 5.125 4.320 0.264 0.000 0.250 357 K C -1.509 175.021 176.600 -0.116 0.000 0.948 357 K CA -0.542 55.705 56.287 -0.067 0.000 0.796 357 K CB 2.745 35.231 32.500 -0.024 0.000 1.216 357 K HN 0.247 nan 8.250 nan 0.000 0.432 358 V N 1.674 121.500 119.914 -0.145 0.000 2.680 358 V HA 0.632 4.910 4.120 0.264 0.000 0.309 358 V C 0.264 176.243 176.094 -0.191 0.000 1.052 358 V CA -0.604 61.534 62.300 -0.271 0.000 0.908 358 V CB 2.017 33.503 31.823 -0.562 0.000 1.001 358 V HN 1.022 nan 8.190 nan 0.000 0.431 359 T N 0.615 114.982 114.554 -0.313 0.000 2.804 359 T HA 0.843 5.351 4.350 0.264 0.000 0.290 359 T C -1.358 173.069 174.700 -0.455 0.000 1.099 359 T CA -0.649 61.348 62.100 -0.172 0.000 1.011 359 T CB 2.004 70.835 68.868 -0.061 0.000 1.291 359 T HN 0.373 nan 8.240 nan 0.000 0.523 360 Y N -1.206 119.080 120.300 -0.024 0.000 2.689 360 Y HA 0.706 5.414 4.550 0.264 0.000 0.333 360 Y C -0.902 175.021 175.900 0.038 0.000 1.190 360 Y CA -0.987 57.111 58.100 -0.002 0.000 1.063 360 Y CB 1.571 40.033 38.460 0.002 0.000 1.294 360 Y HN 0.712 nan 8.280 nan 0.000 0.466 361 D N -0.797 119.773 120.400 0.282 0.000 2.533 361 D HA 0.744 5.543 4.640 0.264 0.000 0.247 361 D C -1.398 175.067 176.300 0.276 0.000 1.056 361 D CA -0.716 53.405 54.000 0.201 0.000 1.054 361 D CB 2.124 43.017 40.800 0.154 0.000 1.400 361 D HN 0.344 nan 8.370 nan 0.000 0.533 362 S N -0.005 115.766 115.700 0.118 0.000 2.668 362 S HA 0.466 5.094 4.470 0.264 0.000 0.277 362 S C -1.347 173.174 174.600 -0.131 0.000 1.170 362 S CA -0.547 57.710 58.200 0.095 0.000 0.994 362 S CB 0.554 63.867 63.200 0.187 0.000 1.051 362 S HN 0.287 nan 8.310 nan 0.000 0.484 363 F N 1.813 121.717 119.950 -0.076 0.000 2.531 363 F HA 0.310 4.995 4.527 0.264 0.000 0.333 363 F C 0.515 176.252 175.800 -0.105 0.000 1.292 363 F CA -0.636 57.318 58.000 -0.076 0.000 1.184 363 F CB 0.313 39.262 39.000 -0.085 0.000 1.426 363 F HN 0.483 nan 8.300 nan 0.000 0.559 364 c N 0.664 119.291 118.600 0.046 0.000 2.775 364 c HA 0.017 4.745 4.570 0.264 0.000 0.391 364 c C 2.261 176.377 174.090 0.043 0.000 1.295 364 c CA 0.563 56.908 56.329 0.027 0.000 2.119 364 c CB 0.787 43.317 42.510 0.033 0.000 2.705 364 c HN 0.875 nan 8.230 nan 0.000 0.710 365 S N 1.474 117.190 115.700 0.027 0.000 2.371 365 S HA -0.133 4.495 4.470 0.264 0.000 0.224 365 S C 0.621 175.235 174.600 0.023 0.000 1.029 365 S CA 1.229 59.444 58.200 0.025 0.000 0.978 365 S CB -0.565 62.647 63.200 0.020 0.000 0.833 365 S HN 0.899 nan 8.310 nan 0.000 0.466 366 N N 1.623 120.334 118.700 0.018 0.000 3.188 366 N HA 0.466 5.364 4.740 0.264 0.000 0.279 366 N C 0.935 176.445 175.510 0.001 0.000 1.213 366 N CA 0.061 53.117 53.050 0.011 0.000 1.138 366 N CB -0.085 38.409 38.487 0.011 0.000 1.417 366 N HN 0.509 nan 8.380 nan 0.000 0.526 367 G N -0.651 108.152 108.800 0.005 0.000 2.417 367 G HA2 -0.314 3.804 3.960 0.264 0.000 0.233 367 G HA3 -0.314 3.804 3.960 0.264 0.000 0.233 367 G C -0.100 174.779 174.900 -0.036 0.000 1.103 367 G CA 0.180 45.276 45.100 -0.008 0.000 0.647 367 G HN 0.513 nan 8.290 nan 0.000 0.512 368 V N 2.168 122.040 119.914 -0.070 0.000 2.540 368 V HA 0.412 4.690 4.120 0.264 0.000 0.297 368 V C 0.784 176.746 176.094 -0.219 0.000 1.024 368 V CA 1.409 63.593 62.300 -0.192 0.000 1.105 368 V CB 1.184 32.885 31.823 -0.203 0.000 0.938 368 V HN 0.379 nan 8.190 nan 0.000 0.482 369 T N 4.657 119.013 114.554 -0.331 0.000 3.427 369 T HA 0.312 4.820 4.350 0.264 0.000 0.306 369 T C -0.053 174.353 174.700 -0.490 0.000 1.733 369 T CA -0.294 61.536 62.100 -0.449 0.000 1.599 369 T CB -0.470 68.278 68.868 -0.200 0.000 0.964 369 T HN 0.757 nan 8.240 nan 0.000 0.701 370 H N 1.634 120.459 119.070 -0.409 0.000 2.603 370 H HA 0.608 5.322 4.556 0.264 0.000 0.370 370 H C 0.572 175.721 175.328 -0.298 0.000 1.225 370 H CA -0.328 55.563 56.048 -0.261 0.000 1.410 370 H CB 0.775 30.448 29.762 -0.149 0.000 1.495 370 H HN 0.218 nan 8.280 nan 0.000 0.602 371 R N 1.553 122.065 120.500 0.019 0.000 2.536 371 R HA 0.167 4.665 4.340 0.264 0.000 0.269 371 R C -1.290 175.023 176.300 0.021 0.000 1.113 371 R CA -1.094 54.999 56.100 -0.012 0.000 0.948 371 R CB 1.454 31.739 30.300 -0.025 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 3.056 121.776 118.700 0.035 0.000 2.422 372 N HA -0.168 4.730 4.740 0.264 0.000 0.289 372 N C -1.336 174.194 175.510 0.032 0.000 1.385 372 N CA 1.055 54.126 53.050 0.035 0.000 0.639 372 N CB -0.394 38.105 38.487 0.021 0.000 0.914 372 N HN 0.725 nan 8.380 nan 0.000 0.516 373 Q N -0.599 119.240 119.800 0.065 0.000 2.805 373 Q HA 0.200 4.698 4.340 0.264 0.000 0.257 373 Q C -2.665 173.419 176.000 0.140 0.000 0.977 373 Q CA -0.983 54.854 55.803 0.057 0.000 0.901 373 Q CB 2.580 31.306 28.738 -0.019 0.000 1.778 373 Q HN 0.158 nan 8.270 nan 0.000 0.441 374 P HA 0.063 nan 4.420 nan 0.000 0.280 374 P C -0.278 176.973 177.300 -0.082 0.000 1.278 374 P CA 0.192 63.403 63.100 0.185 0.000 0.787 374 P CB 0.571 32.349 31.700 0.129 0.000 1.163 375 R N -2.779 117.533 120.500 -0.313 0.000 3.868 375 R HA -0.127 4.372 4.340 0.264 0.000 0.476 375 R C 0.623 176.648 176.300 -0.458 0.000 0.241 375 R CA 1.196 57.114 56.100 -0.304 0.000 1.496 375 R CB -1.949 28.322 30.300 -0.047 0.000 1.052 375 R HN 0.857 nan 8.270 nan 0.000 0.541 376 G N 0.226 108.847 108.800 -0.298 0.000 5.302 376 G HA2 0.095 4.213 3.960 0.264 0.000 0.223 376 G HA3 0.095 4.213 3.960 0.264 0.000 0.223 376 G C -1.182 173.700 174.900 -0.030 0.000 0.832 376 G CA 0.030 44.946 45.100 -0.306 0.000 0.714 376 G HN 0.515 nan 8.290 nan 0.000 0.444 377 D N 0.893 121.253 120.400 -0.066 0.000 2.383 377 D HA 0.133 4.931 4.640 0.264 0.000 0.275 377 D C -0.143 176.150 176.300 -0.013 0.000 1.344 377 D CA 0.235 54.165 54.000 -0.117 0.000 0.984 377 D CB -0.016 40.750 40.800 -0.057 0.000 1.104 377 D HN 0.053 nan 8.370 nan 0.000 0.524 378 c N 4.416 123.006 118.600 -0.017 0.000 2.521 378 c HA 0.179 4.907 4.570 0.264 0.000 0.291 378 c C 0.481 174.573 174.090 0.003 0.000 1.074 378 c CA -1.011 55.343 56.329 0.041 0.000 1.495 378 c CB 0.352 42.914 42.510 0.086 0.000 1.862 378 c HN 0.501 nan 8.230 nan 0.000 0.418 379 D N 1.548 121.949 120.400 0.001 0.000 2.870 379 D HA 0.255 5.053 4.640 0.264 0.000 0.241 379 D C 1.151 177.467 176.300 0.027 0.000 1.234 379 D CA 0.357 54.359 54.000 0.003 0.000 0.844 379 D CB -0.145 40.658 40.800 0.004 0.000 1.051 379 D HN 0.795 nan 8.370 nan 0.000 0.469 380 G N -0.134 108.687 108.800 0.034 0.000 5.084 380 G HA2 0.372 4.490 3.960 0.264 0.000 0.241 380 G HA3 0.372 4.490 3.960 0.264 0.000 0.241 380 G C -0.509 174.417 174.900 0.043 0.000 0.918 380 G CA -0.119 45.003 45.100 0.037 0.000 0.754 380 G HN 0.204 nan 8.290 nan 0.000 0.478 381 V N -2.085 117.863 119.914 0.057 0.000 2.932 381 V HA 0.798 5.077 4.120 0.264 0.000 0.307 381 V C -0.108 176.042 176.094 0.092 0.000 1.147 381 V CA -0.687 61.656 62.300 0.071 0.000 0.951 381 V CB 1.488 33.362 31.823 0.087 0.000 1.031 381 V HN 0.349 nan 8.190 nan 0.000 0.426 382 Q N 4.074 123.926 119.800 0.086 0.000 2.013 382 Q HA 0.484 4.982 4.340 0.264 0.000 0.158 382 Q C 1.052 177.105 176.000 0.088 0.000 0.517 382 Q CA -0.173 55.687 55.803 0.095 0.000 0.753 382 Q CB 0.782 29.562 28.738 0.070 0.000 1.005 382 Q HN 0.571 nan 8.270 nan 0.000 0.393 383 I N 0.541 121.139 120.570 0.047 0.000 3.284 383 I HA 0.082 4.410 4.170 0.264 0.000 0.231 383 I C 0.566 176.679 176.117 -0.007 0.000 1.041 383 I CA 0.322 61.633 61.300 0.017 0.000 1.478 383 I CB 0.196 38.194 38.000 -0.004 0.000 1.340 383 I HN 0.255 nan 8.210 nan 0.000 0.449 384 N N 0.886 119.576 118.700 -0.015 0.000 2.818 384 N HA 0.267 5.165 4.740 0.264 0.000 0.301 384 N C -1.541 173.954 175.510 -0.024 0.000 1.821 384 N CA 0.075 53.105 53.050 -0.034 0.000 0.930 384 N CB 0.743 39.207 38.487 -0.038 0.000 1.263 384 N HN -0.082 nan 8.380 nan 0.000 0.487 385 V N 2.622 122.528 119.914 -0.013 0.000 2.445 385 V HA 0.415 4.694 4.120 0.264 0.000 0.283 385 V C -2.060 174.034 176.094 0.000 0.000 1.014 385 V CA -1.432 60.865 62.300 -0.006 0.000 0.852 385 V CB 1.746 33.573 31.823 0.007 0.000 1.021 385 V HN 0.267 nan 8.190 nan 0.000 0.435 386 P HA 0.266 nan 4.420 nan 0.000 0.271 386 P C -0.264 177.039 177.300 0.005 0.000 1.233 386 P CA 0.228 63.323 63.100 -0.007 0.000 0.795 386 P CB 0.587 32.273 31.700 -0.023 0.000 0.936 387 I N -4.288 116.286 120.570 0.007 0.000 3.343 387 I HA 0.685 5.014 4.170 0.264 0.000 0.315 387 I C -1.132 174.873 176.117 -0.187 0.000 1.153 387 I CA -0.863 60.374 61.300 -0.105 0.000 0.952 387 I CB 2.332 40.228 38.000 -0.172 0.000 1.287 387 I HN 0.039 nan 8.210 nan 0.000 0.472 388 T N 2.104 116.441 114.554 -0.362 0.000 3.031 388 T HA 0.576 5.084 4.350 0.264 0.000 0.305 388 T C -1.192 173.293 174.700 -0.358 0.000 0.985 388 T CA -0.145 61.815 62.100 -0.234 0.000 1.008 388 T CB 0.679 69.511 68.868 -0.060 0.000 1.005 388 T HN 0.373 nan 8.240 nan 0.000 0.444 389 F N 2.145 122.182 119.950 0.145 0.000 2.449 389 F HA 0.461 5.146 4.527 0.264 0.000 0.342 389 F C 0.629 176.485 175.800 0.093 0.000 1.127 389 F CA -1.010 57.075 58.000 0.141 0.000 0.975 389 F CB 1.825 40.911 39.000 0.143 0.000 1.146 389 F HN 0.348 nan 8.300 nan 0.000 0.444 390 Q N 3.844 123.787 119.800 0.239 0.000 2.456 390 Q HA 0.393 4.891 4.340 0.264 0.000 0.234 390 Q C -1.215 174.731 176.000 -0.090 0.000 1.061 390 Q CA -0.493 55.346 55.803 0.060 0.000 0.896 390 Q CB 1.052 29.840 28.738 0.082 0.000 1.233 390 Q HN 0.569 nan 8.270 nan 0.000 0.506 391 V N 5.136 124.835 119.914 -0.359 0.000 2.455 391 V HA 0.171 4.449 4.120 0.264 0.000 0.273 391 V C -0.108 175.566 176.094 -0.700 0.000 1.045 391 V CA -0.022 61.860 62.300 -0.695 0.000 0.976 391 V CB 0.795 31.994 31.823 -1.041 0.000 0.993 391 V HN 0.636 nan 8.190 nan 0.000 0.475 392 K N 4.464 124.603 120.400 -0.435 0.000 2.449 392 K HA 0.560 5.038 4.320 0.264 0.000 0.257 392 K C -1.115 175.386 176.600 -0.164 0.000 0.989 392 K CA -0.522 55.630 56.287 -0.225 0.000 0.916 392 K CB 1.965 34.388 32.500 -0.129 0.000 1.136 392 K HN 0.453 nan 8.250 nan 0.000 0.439 393 V N 3.031 122.930 119.914 -0.024 0.000 2.370 393 V HA 0.301 4.579 4.120 0.264 0.000 0.279 393 V C -0.025 176.083 176.094 0.023 0.000 1.029 393 V CA -0.379 61.929 62.300 0.013 0.000 0.870 393 V CB 1.489 33.416 31.823 0.175 0.000 0.984 393 V HN 0.733 nan 8.190 nan 0.000 0.451 394 T N 3.664 118.209 114.554 -0.016 0.000 2.908 394 T HA 0.825 5.333 4.350 0.264 0.000 0.290 394 T C -0.124 174.570 174.700 -0.011 0.000 1.034 394 T CA -0.365 61.733 62.100 -0.003 0.000 1.010 394 T CB 2.045 70.909 68.868 -0.006 0.000 1.068 394 T HN 0.892 nan 8.240 nan 0.000 0.481 395 A N 0.735 123.554 122.820 -0.002 0.000 2.346 395 A HA 0.779 5.257 4.320 0.264 0.000 0.313 395 A C 1.150 178.733 177.584 -0.001 0.000 1.140 395 A CA -0.337 51.696 52.037 -0.007 0.000 0.826 395 A CB 0.998 19.995 19.000 -0.005 0.000 1.332 395 A HN 0.898 nan 8.150 nan 0.000 0.457 396 T N -2.184 112.370 114.554 0.001 0.000 3.042 396 T HA 0.254 4.762 4.350 0.264 0.000 0.245 396 T C 0.499 175.196 174.700 -0.005 0.000 1.029 396 T CA 0.888 62.997 62.100 0.016 0.000 1.120 396 T CB -0.339 68.559 68.868 0.049 0.000 0.917 396 T HN 0.856 nan 8.240 nan 0.000 0.467 397 E N -0.582 119.610 120.200 -0.013 0.000 2.440 397 E HA 0.507 5.015 4.350 0.264 0.000 0.263 397 E C -1.236 175.348 176.600 -0.027 0.000 0.938 397 E CA -1.276 55.107 56.400 -0.028 0.000 0.831 397 E CB 0.872 30.556 29.700 -0.026 0.000 1.456 397 E HN -0.006 nan 8.360 nan 0.000 0.427 398 c N 2.839 121.419 118.600 -0.033 0.000 2.423 398 c HA 0.239 4.968 4.570 0.264 0.000 0.378 398 c C 1.013 175.089 174.090 -0.024 0.000 1.068 398 c CA -0.687 55.625 56.329 -0.028 0.000 1.371 398 c CB -2.707 39.783 42.510 -0.032 0.000 1.856 398 c HN 0.469 nan 8.230 nan 0.000 0.523 399 I N 1.293 121.851 120.570 -0.020 0.000 3.332 399 I HA 0.135 4.464 4.170 0.264 0.000 0.280 399 I C 0.271 176.376 176.117 -0.020 0.000 1.285 399 I CA 0.071 61.361 61.300 -0.017 0.000 1.347 399 I CB 0.472 38.464 38.000 -0.012 0.000 1.353 399 I HN 0.345 nan 8.210 nan 0.000 0.611 400 Q N 2.327 122.117 119.800 -0.017 0.000 2.222 400 Q HA 0.200 4.698 4.340 0.264 0.000 0.252 400 Q C -0.541 175.447 176.000 -0.021 0.000 0.926 400 Q CA -0.417 55.374 55.803 -0.019 0.000 0.899 400 Q CB 1.164 29.893 28.738 -0.015 0.000 1.250 400 Q HN 0.650 nan 8.270 nan 0.000 0.441 401 E N 2.515 122.696 120.200 -0.031 0.000 2.585 401 E HA -0.071 4.437 4.350 0.264 0.000 0.252 401 E C -0.747 175.838 176.600 -0.025 0.000 0.981 401 E CA 0.664 57.038 56.400 -0.042 0.000 0.943 401 E CB 0.373 30.039 29.700 -0.057 0.000 0.923 401 E HN 0.588 nan 8.360 nan 0.000 0.486 402 Q N 1.844 121.636 119.800 -0.014 0.000 2.893 402 Q HA 0.491 4.989 4.340 0.264 0.000 0.331 402 Q C -1.513 174.499 176.000 0.020 0.000 0.893 402 Q CA -0.988 54.822 55.803 0.012 0.000 0.783 402 Q CB 2.128 30.889 28.738 0.038 0.000 1.440 402 Q HN 0.607 nan 8.270 nan 0.000 0.508 403 S N -0.137 115.595 115.700 0.053 0.000 2.543 403 S HA 0.773 5.401 4.470 0.264 0.000 0.273 403 S C -1.173 173.498 174.600 0.118 0.000 1.152 403 S CA -0.842 57.370 58.200 0.021 0.000 0.910 403 S CB 0.786 63.953 63.200 -0.055 0.000 1.105 403 S HN 0.617 nan 8.310 nan 0.000 0.465 404 F N 0.641 120.591 119.950 -0.001 0.000 2.782 404 F HA 0.951 5.636 4.527 0.263 0.000 0.366 404 F C -0.901 174.923 175.800 0.039 0.000 1.171 404 F CA -1.221 56.796 58.000 0.029 0.000 1.064 404 F CB 0.847 39.879 39.000 0.053 0.000 1.449 404 F HN 0.702 nan 8.300 nan 0.000 0.520 405 V N -0.535 119.529 119.914 0.249 0.000 2.841 405 V HA 0.639 4.917 4.120 0.264 0.000 0.310 405 V C -1.181 175.113 176.094 0.334 0.000 1.090 405 V CA -1.002 61.362 62.300 0.108 0.000 0.930 405 V CB 1.684 33.559 31.823 0.088 0.000 1.014 405 V HN 0.864 nan 8.190 nan 0.000 0.425 406 I N 3.839 124.549 120.570 0.233 0.000 2.428 406 I HA 0.537 4.865 4.170 0.264 0.000 0.279 406 I C 0.371 176.599 176.117 0.185 0.000 1.040 406 I CA -0.350 61.136 61.300 0.311 0.000 1.171 406 I CB 1.029 39.248 38.000 0.366 0.000 1.312 406 I HN 0.661 nan 8.210 nan 0.000 0.470 407 R N 3.607 124.199 120.500 0.153 0.000 2.596 407 R HA 0.777 5.276 4.340 0.264 0.000 0.267 407 R C -0.147 176.198 176.300 0.074 0.000 1.026 407 R CA -0.783 55.379 56.100 0.104 0.000 1.087 407 R CB 1.449 31.803 30.300 0.089 0.000 1.132 407 R HN 0.606 nan 8.270 nan 0.000 0.531 408 A N 2.447 125.326 122.820 0.098 0.000 2.252 408 A HA 0.312 4.790 4.320 0.264 0.000 0.309 408 A C 0.100 177.899 177.584 0.357 0.000 1.285 408 A CA -0.649 51.470 52.037 0.137 0.000 0.900 408 A CB 0.177 19.125 19.000 -0.087 0.000 1.157 408 A HN 0.598 nan 8.150 nan 0.000 0.536 409 L N 2.333 123.688 121.223 0.220 0.000 2.667 409 L HA 0.184 4.682 4.340 0.264 0.000 0.278 409 L C 1.415 178.322 176.870 0.063 0.000 1.217 409 L CA 1.375 56.255 54.840 0.067 0.000 0.935 409 L CB -0.216 41.742 42.059 -0.170 0.000 1.193 409 L HN 1.212 nan 8.230 nan 0.000 0.493 410 G N 2.987 111.702 108.800 -0.141 0.000 2.142 410 G HA2 -0.257 3.861 3.960 0.264 0.000 0.225 410 G HA3 -0.257 3.861 3.960 0.264 0.000 0.225 410 G C -0.397 174.021 174.900 -0.804 0.000 1.015 410 G CA -0.535 44.297 45.100 -0.447 0.000 0.716 410 G HN 0.470 nan 8.290 nan 0.000 0.508 411 F N -1.038 118.911 119.950 -0.002 0.000 2.608 411 F HA 0.529 5.215 4.527 0.265 0.000 0.309 411 F C 1.182 176.976 175.800 -0.010 0.000 1.103 411 F CA -0.269 57.739 58.000 0.013 0.000 0.954 411 F CB 1.730 40.767 39.000 0.062 0.000 1.267 411 F HN 0.096 nan 8.300 nan 0.000 0.444 412 T N -3.543 111.103 114.554 0.153 0.000 3.129 412 T HA 0.044 4.552 4.350 0.264 0.000 0.251 412 T C 0.032 174.780 174.700 0.079 0.000 1.117 412 T CA 0.040 62.180 62.100 0.067 0.000 1.034 412 T CB -0.528 68.350 68.868 0.017 0.000 0.968 412 T HN 0.302 nan 8.240 nan 0.000 0.526 413 D N 2.232 122.708 120.400 0.126 0.000 2.367 413 D HA 0.276 5.075 4.640 0.264 0.000 0.255 413 D C -0.133 176.218 176.300 0.086 0.000 1.300 413 D CA -0.049 54.010 54.000 0.098 0.000 0.959 413 D CB 0.093 40.962 40.800 0.115 0.000 1.064 413 D HN 0.510 nan 8.370 nan 0.000 0.509 414 I N 1.936 122.542 120.570 0.059 0.000 2.371 414 I HA 0.078 4.406 4.170 0.264 0.000 0.290 414 I C 0.110 176.250 176.117 0.038 0.000 1.028 414 I CA -0.641 60.688 61.300 0.048 0.000 1.345 414 I CB 1.143 39.161 38.000 0.030 0.000 1.407 414 I HN -0.048 nan 8.210 nan 0.000 0.501 415 V N 5.680 125.618 119.914 0.039 0.000 2.294 415 V HA 0.118 4.396 4.120 0.264 0.000 0.272 415 V C 0.342 176.406 176.094 -0.051 0.000 1.027 415 V CA -0.516 61.793 62.300 0.014 0.000 0.823 415 V CB 0.883 32.738 31.823 0.053 0.000 1.030 415 V HN 0.727 nan 8.190 nan 0.000 0.457 416 T N 4.907 119.416 114.554 -0.074 0.000 2.961 416 T HA 0.152 4.660 4.350 0.264 0.000 0.270 416 T C 0.235 174.798 174.700 -0.230 0.000 0.926 416 T CA 0.037 62.057 62.100 -0.133 0.000 1.112 416 T CB 0.054 68.868 68.868 -0.090 0.000 0.926 416 T HN 0.340 nan 8.240 nan 0.000 0.612 417 V N 5.200 124.869 119.914 -0.409 0.000 2.372 417 V HA 0.187 4.465 4.120 0.264 0.000 0.261 417 V C 0.633 176.387 176.094 -0.567 0.000 1.055 417 V CA -0.617 61.338 62.300 -0.574 0.000 0.930 417 V CB 0.683 31.973 31.823 -0.888 0.000 1.031 417 V HN 0.767 nan 8.190 nan 0.000 0.479 418 Q N 3.864 123.454 119.800 -0.349 0.000 2.354 418 Q HA 0.522 5.020 4.340 0.264 0.000 0.244 418 Q C -1.194 174.673 176.000 -0.222 0.000 0.969 418 Q CA -0.278 55.377 55.803 -0.246 0.000 0.885 418 Q CB 1.624 30.249 28.738 -0.188 0.000 1.241 418 Q HN 0.562 nan 8.270 nan 0.000 0.461 419 V N 5.174 125.005 119.914 -0.139 0.000 2.577 419 V HA 0.389 4.667 4.120 0.264 0.000 0.303 419 V C -0.784 175.228 176.094 -0.137 0.000 1.042 419 V CA -0.663 61.585 62.300 -0.087 0.000 0.872 419 V CB 1.669 33.531 31.823 0.065 0.000 0.998 419 V HN 0.699 nan 8.190 nan 0.000 0.423 420 L N 6.394 127.486 121.223 -0.218 0.000 2.343 420 L HA 0.490 4.989 4.340 0.264 0.000 0.278 420 L C -2.571 174.203 176.870 -0.160 0.000 0.996 420 L CA -1.860 52.820 54.840 -0.266 0.000 0.831 420 L CB 2.272 43.984 42.059 -0.579 0.000 1.232 420 L HN 0.385 nan 8.230 nan 0.000 0.413 421 P HA -0.052 nan 4.420 nan 0.000 0.257 421 P C -0.707 176.575 177.300 -0.029 0.000 1.227 421 P CA 0.230 63.301 63.100 -0.047 0.000 0.981 421 P CB 0.151 31.827 31.700 -0.039 0.000 1.044 422 Q N 3.567 123.369 119.800 0.002 0.000 2.441 422 Q HA 0.337 4.836 4.340 0.264 0.000 0.234 422 Q C -0.768 175.246 176.000 0.024 0.000 1.078 422 Q CA -0.390 55.440 55.803 0.045 0.000 0.907 422 Q CB -0.069 28.738 28.738 0.114 0.000 1.269 422 Q HN 0.599 nan 8.270 nan 0.000 0.502 423 c N 1.853 120.458 118.600 0.008 0.000 2.996 423 c HA 0.534 5.262 4.570 0.264 0.000 0.221 423 c C -0.801 173.277 174.090 -0.020 0.000 1.122 423 c CA -1.005 55.318 56.329 -0.010 0.000 1.040 423 c CB -0.115 42.383 42.510 -0.021 0.000 1.804 423 c HN 0.576 nan 8.230 nan 0.000 0.659 424 E N 0.691 120.883 120.200 -0.013 0.000 2.369 424 E HA 0.767 5.275 4.350 0.264 0.000 0.270 424 E C -0.648 175.937 176.600 -0.024 0.000 0.909 424 E CA -0.016 56.368 56.400 -0.026 0.000 0.775 424 E CB 2.520 32.210 29.700 -0.018 0.000 1.270 424 E HN 0.870 nan 8.360 nan 0.000 0.445 425 c N 0.159 118.734 118.600 -0.041 0.000 2.898 425 c HA 0.824 5.552 4.570 0.264 0.000 0.304 425 c C -0.439 173.636 174.090 -0.024 0.000 1.237 425 c CA -0.990 55.319 56.329 -0.033 0.000 1.529 425 c CB 1.686 44.163 42.510 -0.055 0.000 2.021 425 c HN 0.800 nan 8.230 nan 0.000 0.474 426 R N 1.844 122.342 120.500 -0.003 0.000 2.625 426 R HA 0.569 5.067 4.340 0.264 0.000 0.286 426 R C -0.481 175.830 176.300 0.018 0.000 1.406 426 R CA -0.254 55.850 56.100 0.006 0.000 1.052 426 R CB 0.856 31.158 30.300 0.004 0.000 1.203 426 R HN 1.030 nan 8.270 nan 0.000 0.502 427 c N 2.151 120.768 118.600 0.028 0.000 2.662 427 c HA 0.508 5.237 4.570 0.264 0.000 0.307 427 c C 0.858 174.970 174.090 0.035 0.000 1.796 427 c CA -0.151 56.201 56.329 0.038 0.000 2.153 427 c CB 0.176 42.721 42.510 0.058 0.000 1.725 427 c HN 0.736 nan 8.230 nan 0.000 0.733 428 R N 0.407 120.934 120.500 0.045 0.000 3.015 428 R HA 0.444 4.942 4.340 0.264 0.000 0.258 428 R C -1.974 174.355 176.300 0.050 0.000 1.172 428 R CA -0.274 55.852 56.100 0.045 0.000 1.003 428 R CB 1.455 31.786 30.300 0.052 0.000 1.326 428 R HN 0.548 nan 8.270 nan 0.000 0.449 429 D N -1.377 119.053 120.400 0.051 0.000 2.744 429 D HA 0.002 4.800 4.640 0.264 0.000 0.304 429 D C -0.562 175.779 176.300 0.068 0.000 1.179 429 D CA -0.636 53.391 54.000 0.045 0.000 1.024 429 D CB 0.375 41.182 40.800 0.011 0.000 1.453 429 D HN 0.511 nan 8.370 nan 0.000 0.529 430 Q N -0.423 119.409 119.800 0.054 0.000 2.247 430 Q HA 0.164 4.662 4.340 0.264 0.000 0.205 430 Q C 0.374 176.401 176.000 0.045 0.000 0.896 430 Q CA 0.145 55.996 55.803 0.079 0.000 0.950 430 Q CB -0.077 28.709 28.738 0.080 0.000 1.054 430 Q HN 0.380 nan 8.270 nan 0.000 0.482 431 S N -0.002 115.716 115.700 0.031 0.000 2.470 431 S HA 0.066 4.694 4.470 0.264 0.000 0.222 431 S C 0.908 175.523 174.600 0.025 0.000 1.024 431 S CA -0.168 58.046 58.200 0.022 0.000 0.931 431 S CB 0.077 63.285 63.200 0.014 0.000 0.791 431 S HN 0.274 nan 8.310 nan 0.000 0.513 432 R N 2.505 123.023 120.500 0.031 0.000 2.198 432 R HA 0.338 4.836 4.340 0.264 0.000 0.339 432 R C -1.299 175.020 176.300 0.032 0.000 1.020 432 R CA -0.058 56.059 56.100 0.029 0.000 0.864 432 R CB -1.221 29.096 30.300 0.029 0.000 1.105 432 R HN 0.107 nan 8.270 nan 0.000 0.463 433 D N 3.579 123.993 120.400 0.024 0.000 3.061 433 D HA -0.138 4.660 4.640 0.264 0.000 0.252 433 D C -0.188 176.125 176.300 0.021 0.000 1.080 433 D CA 0.523 54.533 54.000 0.018 0.000 0.871 433 D CB -0.402 40.406 40.800 0.013 0.000 1.018 433 D HN 0.748 nan 8.370 nan 0.000 0.425 434 R N -0.025 120.488 120.500 0.022 0.000 2.310 434 R HA 0.039 4.538 4.340 0.264 0.000 0.202 434 R C 1.997 178.304 176.300 0.012 0.000 0.933 434 R CA 0.845 56.958 56.100 0.021 0.000 1.054 434 R CB 0.237 30.550 30.300 0.023 0.000 0.985 434 R HN 0.435 nan 8.270 nan 0.000 0.489 435 S N 0.607 116.312 115.700 0.010 0.000 2.303 435 S HA 0.019 4.647 4.470 0.264 0.000 0.207 435 S C 1.131 175.728 174.600 -0.005 0.000 1.025 435 S CA -0.015 58.194 58.200 0.015 0.000 0.953 435 S CB -0.419 62.791 63.200 0.017 0.000 0.932 435 S HN 0.069 nan 8.310 nan 0.000 0.472 436 L N 1.205 122.406 121.223 -0.037 0.000 2.489 436 L HA 0.043 4.541 4.340 0.264 0.000 0.285 436 L C 0.844 177.625 176.870 -0.148 0.000 1.259 436 L CA -0.053 54.720 54.840 -0.112 0.000 0.828 436 L CB -0.384 41.623 42.059 -0.086 0.000 1.094 436 L HN 0.761 nan 8.230 nan 0.000 0.524 437 c N 0.263 118.706 118.600 -0.262 0.000 4.417 437 c HA -0.182 4.546 4.570 0.264 0.000 0.284 437 c C 1.023 175.009 174.090 -0.175 0.000 1.379 437 c CA 0.410 56.601 56.329 -0.230 0.000 1.918 437 c CB -3.374 39.048 42.510 -0.146 0.000 1.280 437 c HN 1.085 nan 8.230 nan 0.000 0.783 438 H N -1.265 117.762 119.070 -0.072 0.000 2.458 438 H HA -0.124 4.590 4.556 0.264 0.000 0.322 438 H C 1.507 176.762 175.328 -0.122 0.000 1.038 438 H CA 1.153 57.151 56.048 -0.084 0.000 1.120 438 H CB -1.084 28.628 29.762 -0.083 0.000 1.489 438 H HN 1.482 nan 8.280 nan 0.000 0.399 439 G N -0.306 108.489 108.800 -0.009 0.000 2.377 439 G HA2 -0.390 3.728 3.960 0.264 0.000 0.250 439 G HA3 -0.390 3.728 3.960 0.264 0.000 0.250 439 G C 0.728 175.577 174.900 -0.084 0.000 1.039 439 G CA 0.603 45.683 45.100 -0.033 0.000 0.625 439 G HN 0.352 nan 8.290 nan 0.000 0.526 440 K N 1.694 121.976 120.400 -0.197 0.000 2.997 440 K HA 0.578 5.056 4.320 0.264 0.000 0.249 440 K C 0.631 177.131 176.600 -0.166 0.000 1.284 440 K CA 0.591 56.691 56.287 -0.311 0.000 1.245 440 K CB 0.221 32.125 32.500 -0.992 0.000 1.670 440 K HN 1.299 nan 8.250 nan 0.000 0.385 441 G N 0.780 109.557 108.800 -0.037 0.000 2.340 441 G HA2 0.294 4.413 3.960 0.264 0.000 0.298 441 G HA3 0.294 4.413 3.960 0.264 0.000 0.298 441 G C -1.272 173.665 174.900 0.062 0.000 1.498 441 G CA -1.078 44.024 45.100 0.003 0.000 0.847 441 G HN 0.133 nan 8.290 nan 0.000 0.594 442 F N -0.839 119.104 119.950 -0.011 0.000 2.572 442 F HA 0.926 5.611 4.527 0.264 0.000 0.342 442 F C -0.347 175.452 175.800 -0.003 0.000 1.064 442 F CA -1.603 56.392 58.000 -0.008 0.000 1.008 442 F CB 1.741 40.739 39.000 -0.003 0.000 1.303 442 F HN 0.527 nan 8.300 nan 0.000 0.492 443 L N 1.333 122.638 121.223 0.138 0.000 2.362 443 L HA 0.626 5.124 4.340 0.264 0.000 0.271 443 L C -1.462 175.494 176.870 0.144 0.000 1.002 443 L CA -0.550 54.312 54.840 0.038 0.000 0.818 443 L CB 1.845 43.926 42.059 0.038 0.000 1.298 443 L HN 0.858 nan 8.230 nan 0.000 0.420 444 E N 3.944 124.197 120.200 0.087 0.000 2.432 444 E HA 0.290 4.798 4.350 0.264 0.000 0.272 444 E C -0.817 175.855 176.600 0.120 0.000 0.937 444 E CA -0.414 56.059 56.400 0.122 0.000 0.812 444 E CB 0.927 30.715 29.700 0.147 0.000 1.377 444 E HN 0.736 nan 8.360 nan 0.000 0.399 445 c N 4.266 122.941 118.600 0.125 0.000 4.067 445 c HA 0.086 4.814 4.570 0.264 0.000 0.305 445 c C 1.485 175.690 174.090 0.192 0.000 1.305 445 c CA 1.250 57.683 56.329 0.173 0.000 2.111 445 c CB -2.249 40.423 42.510 0.271 0.000 1.339 445 c HN 1.315 nan 8.230 nan 0.000 0.668 446 G N 0.636 109.501 108.800 0.109 0.000 4.315 446 G HA2 -0.257 3.861 3.960 0.264 0.000 0.280 446 G HA3 -0.257 3.861 3.960 0.264 0.000 0.280 446 G C 0.247 175.189 174.900 0.070 0.000 1.649 446 G CA 0.443 45.590 45.100 0.078 0.000 1.108 446 G HN 2.008 nan 8.290 nan 0.000 0.667 447 I N 0.477 121.115 120.570 0.113 0.000 3.245 447 I HA 0.375 4.703 4.170 0.264 0.000 0.290 447 I C 0.383 176.493 176.117 -0.010 0.000 1.269 447 I CA -0.044 61.301 61.300 0.075 0.000 1.383 447 I CB 0.039 38.139 38.000 0.166 0.000 1.337 447 I HN 0.495 nan 8.210 nan 0.000 0.599 448 c N 3.970 122.522 118.600 -0.080 0.000 2.345 448 c HA 0.506 5.235 4.570 0.264 0.000 0.323 448 c C 0.201 174.110 174.090 -0.301 0.000 1.276 448 c CA -0.704 55.502 56.329 -0.205 0.000 1.543 448 c CB 0.541 42.948 42.510 -0.172 0.000 2.211 448 c HN 0.722 nan 8.230 nan 0.000 0.493 449 R N 2.000 122.128 120.500 -0.620 0.000 2.205 449 R HA 0.411 4.909 4.340 0.264 0.000 0.342 449 R C -0.190 175.759 176.300 -0.585 0.000 1.058 449 R CA -0.266 55.463 56.100 -0.618 0.000 0.904 449 R CB 0.270 30.131 30.300 -0.732 0.000 1.089 449 R HN 0.753 nan 8.270 nan 0.000 0.471 450 c N 1.686 120.159 118.600 -0.212 0.000 2.711 450 c HA 0.150 4.878 4.570 0.264 0.000 0.306 450 c C 1.059 175.196 174.090 0.078 0.000 1.479 450 c CA -0.730 55.570 56.329 -0.050 0.000 2.271 450 c CB 0.171 42.708 42.510 0.044 0.000 2.155 450 c HN 0.682 nan 8.230 nan 0.000 0.674 451 D N 0.280 120.788 120.400 0.180 0.000 2.425 451 D HA 0.183 4.981 4.640 0.264 0.000 0.274 451 D C 1.482 177.877 176.300 0.159 0.000 1.242 451 D CA 0.253 54.380 54.000 0.212 0.000 1.060 451 D CB -0.232 40.737 40.800 0.282 0.000 1.112 451 D HN 0.736 nan 8.370 nan 0.000 0.561 452 T N -3.121 111.507 114.554 0.124 0.000 2.821 452 T HA -0.019 4.489 4.350 0.264 0.000 0.267 452 T C 1.699 176.414 174.700 0.025 0.000 1.046 452 T CA 1.062 63.202 62.100 0.067 0.000 1.139 452 T CB -0.510 68.387 68.868 0.049 0.000 0.871 452 T HN 0.423 nan 8.240 nan 0.000 0.454 453 G N -0.805 107.988 108.800 -0.011 0.000 2.796 453 G HA2 0.313 4.432 3.960 0.264 0.000 0.210 453 G HA3 0.313 4.432 3.960 0.264 0.000 0.210 453 G C -0.161 174.561 174.900 -0.297 0.000 1.146 453 G CA -0.464 44.529 45.100 -0.179 0.000 0.779 453 G HN 0.516 nan 8.290 nan 0.000 0.535 454 Y N 0.102 120.418 120.300 0.027 0.000 2.361 454 Y HA 0.651 5.359 4.550 0.264 0.000 0.332 454 Y C 0.104 176.011 175.900 0.012 0.000 1.101 454 Y CA -1.025 57.089 58.100 0.024 0.000 1.137 454 Y CB 1.735 40.213 38.460 0.030 0.000 1.207 454 Y HN -0.170 nan 8.280 nan 0.000 0.463 455 I N 1.143 121.809 120.570 0.160 0.000 3.095 455 I HA 0.759 5.088 4.170 0.264 0.000 0.310 455 I C 0.103 176.263 176.117 0.072 0.000 1.196 455 I CA -0.728 60.622 61.300 0.083 0.000 0.985 455 I CB 1.838 39.864 38.000 0.044 0.000 1.250 455 I HN 0.721 nan 8.210 nan 0.000 0.446 456 G N 3.352 112.173 108.800 0.034 0.000 2.362 456 G HA2 -0.050 4.068 3.960 0.264 0.000 0.656 456 G HA3 -0.050 4.068 3.960 0.264 0.000 0.656 456 G C -0.050 174.847 174.900 -0.005 0.000 1.376 456 G CA -0.196 44.916 45.100 0.021 0.000 0.971 456 G HN 0.875 nan 8.290 nan 0.000 0.636 457 K N -0.995 119.398 120.400 -0.012 0.000 2.555 457 K HA 0.116 4.594 4.320 0.264 0.000 0.193 457 K C 0.534 177.102 176.600 -0.054 0.000 1.032 457 K CA 1.122 57.395 56.287 -0.023 0.000 1.004 457 K CB 0.141 32.633 32.500 -0.013 0.000 0.804 457 K HN 0.248 nan 8.250 nan 0.000 0.496 458 N N 0.371 119.027 118.700 -0.074 0.000 2.471 458 N HA 0.081 4.979 4.740 0.264 0.000 0.270 458 N C -0.883 174.527 175.510 -0.167 0.000 1.490 458 N CA -0.166 52.789 53.050 -0.158 0.000 0.850 458 N CB 0.529 38.881 38.487 -0.224 0.000 1.411 458 N HN 0.169 nan 8.380 nan 0.000 0.488 459 c N 2.152 120.712 118.600 -0.065 0.000 4.185 459 c HA -0.145 4.583 4.570 0.264 0.000 0.297 459 c C 2.019 176.165 174.090 0.093 0.000 1.463 459 c CA 1.274 57.603 56.329 0.000 0.000 2.032 459 c CB -1.663 40.798 42.510 -0.082 0.000 1.282 459 c HN 0.585 nan 8.230 nan 0.000 0.770 460 E N -0.968 119.314 120.200 0.137 0.000 2.250 460 E HA -0.010 4.499 4.350 0.264 0.000 0.192 460 E C 0.715 177.446 176.600 0.217 0.000 0.986 460 E CA 0.844 57.417 56.400 0.289 0.000 0.849 460 E CB -0.127 29.741 29.700 0.280 0.000 0.797 460 E HN 0.737 nan 8.360 nan 0.000 0.482 461 c N 1.141 119.845 118.600 0.174 0.000 2.358 461 c HA 0.606 5.334 4.570 0.264 0.000 0.354 461 c C 0.068 174.244 174.090 0.144 0.000 1.183 461 c CA -0.684 55.724 56.329 0.132 0.000 2.150 461 c CB 1.233 43.791 42.510 0.079 0.000 2.361 461 c HN 0.456 nan 8.230 nan 0.000 0.535 462 Q N -0.160 119.678 119.800 0.062 0.000 2.416 462 Q HA 0.389 4.887 4.340 0.264 0.000 0.279 462 Q C 0.552 176.531 176.000 -0.035 0.000 1.101 462 Q CA -0.258 55.523 55.803 -0.036 0.000 0.830 462 Q CB 1.741 30.405 28.738 -0.124 0.000 1.402 462 Q HN 0.860 nan 8.270 nan 0.000 0.445 463 T N -0.680 113.836 114.554 -0.063 0.000 3.215 463 T HA 0.102 4.610 4.350 0.264 0.000 0.254 463 T C 0.134 174.817 174.700 -0.029 0.000 1.149 463 T CA 0.349 62.430 62.100 -0.032 0.000 1.042 463 T CB 0.006 68.856 68.868 -0.030 0.000 0.966 463 T HN 0.518 nan 8.240 nan 0.000 0.534 464 Q N 1.055 120.831 119.800 -0.039 0.000 2.965 464 Q HA 0.539 5.037 4.340 0.264 0.000 0.288 464 Q C -0.244 175.747 176.000 -0.015 0.000 0.974 464 Q CA -0.737 55.050 55.803 -0.026 0.000 0.849 464 Q CB 1.143 29.860 28.738 -0.034 0.000 1.280 464 Q HN 0.550 nan 8.270 nan 0.000 0.441 465 G N 2.107 110.905 108.800 -0.004 0.000 2.594 465 G HA2 -0.054 4.064 3.960 0.264 0.000 0.422 465 G HA3 -0.054 4.064 3.960 0.264 0.000 0.422 465 G C -0.999 173.906 174.900 0.009 0.000 1.190 465 G CA -0.966 44.136 45.100 0.003 0.000 1.234 465 G HN 0.227 nan 8.290 nan 0.000 0.584 466 R N -0.038 120.470 120.500 0.013 0.000 2.629 466 R HA 0.825 5.323 4.340 0.264 0.000 0.266 466 R C -0.731 175.579 176.300 0.017 0.000 1.051 466 R CA -0.386 55.724 56.100 0.017 0.000 0.895 466 R CB 2.319 32.631 30.300 0.021 0.000 1.246 466 R HN 1.562 nan 8.270 nan 0.000 0.459 467 S N -0.117 115.592 115.700 0.016 0.000 2.709 467 S HA 0.339 4.967 4.470 0.264 0.000 0.305 467 S C -1.257 173.352 174.600 0.015 0.000 0.974 467 S CA -0.949 57.260 58.200 0.016 0.000 0.837 467 S CB 1.342 64.552 63.200 0.016 0.000 1.032 467 S HN 0.465 nan 8.310 nan 0.000 0.461 468 S N 1.356 117.064 115.700 0.014 0.000 2.745 468 S HA 0.553 5.181 4.470 0.264 0.000 0.306 468 S C 0.813 175.420 174.600 0.013 0.000 1.137 468 S CA -0.661 57.547 58.200 0.013 0.000 0.900 468 S CB 1.782 64.990 63.200 0.014 0.000 1.176 468 S HN 0.892 nan 8.310 nan 0.000 0.520 469 Q N 0.829 120.636 119.800 0.011 0.000 1.896 469 Q HA 0.075 4.573 4.340 0.264 0.000 0.205 469 Q C 0.812 176.819 176.000 0.012 0.000 0.978 469 Q CA 1.343 57.152 55.803 0.011 0.000 0.850 469 Q CB -0.199 28.544 28.738 0.009 0.000 0.908 469 Q HN 0.700 nan 8.270 nan 0.000 0.431 470 E N 0.320 120.527 120.200 0.011 0.000 2.437 470 E HA 0.047 4.556 4.350 0.264 0.000 0.189 470 E C 1.694 178.301 176.600 0.013 0.000 1.054 470 E CA -0.231 56.176 56.400 0.012 0.000 0.874 470 E CB 0.248 29.953 29.700 0.009 0.000 1.011 470 E HN 0.456 nan 8.360 nan 0.000 0.474 471 L N 0.594 121.825 121.223 0.013 0.000 2.265 471 L HA -0.141 4.357 4.340 0.264 0.000 0.215 471 L C 1.393 178.272 176.870 0.015 0.000 1.117 471 L CA 1.094 55.941 54.840 0.012 0.000 0.782 471 L CB -0.207 41.859 42.059 0.012 0.000 0.914 471 L HN 0.117 nan 8.230 nan 0.000 0.441 472 E N -0.018 120.193 120.200 0.019 0.000 2.438 472 E HA -0.029 4.479 4.350 0.264 0.000 0.192 472 E C 1.801 178.425 176.600 0.039 0.000 1.110 472 E CA 0.234 56.651 56.400 0.028 0.000 0.893 472 E CB 0.048 29.764 29.700 0.026 0.000 0.990 472 E HN 0.473 nan 8.360 nan 0.000 0.490 473 G N 1.119 109.940 108.800 0.034 0.000 2.496 473 G HA2 -0.238 3.880 3.960 0.264 0.000 0.214 473 G HA3 -0.238 3.880 3.960 0.264 0.000 0.214 473 G C 1.441 176.384 174.900 0.072 0.000 1.234 473 G CA 0.341 45.465 45.100 0.040 0.000 0.807 473 G HN 0.289 nan 8.290 nan 0.000 0.543 474 S N -1.005 114.736 115.700 0.068 0.000 2.701 474 S HA 0.005 4.633 4.470 0.264 0.000 0.220 474 S C 1.707 176.384 174.600 0.129 0.000 0.954 474 S CA 0.382 58.649 58.200 0.111 0.000 0.936 474 S CB -0.700 62.523 63.200 0.037 0.000 0.777 474 S HN 0.390 nan 8.310 nan 0.000 0.518 475 c N 2.112 120.782 118.600 0.117 0.000 2.594 475 c HA 0.363 5.091 4.570 0.264 0.000 0.265 475 c C 0.912 175.167 174.090 0.276 0.000 1.351 475 c CA -0.395 55.995 56.329 0.102 0.000 1.744 475 c CB -1.241 41.297 42.510 0.047 0.000 1.890 475 c HN 0.682 nan 8.230 nan 0.000 0.551 476 R N 0.008 120.690 120.500 0.304 0.000 2.575 476 R HA 0.399 4.897 4.340 0.264 0.000 0.293 476 R C 0.835 177.093 176.300 -0.071 0.000 0.983 476 R CA -0.560 55.647 56.100 0.179 0.000 0.887 476 R CB 0.737 31.066 30.300 0.049 0.000 1.184 476 R HN 0.256 nan 8.270 nan 0.000 0.445 477 K N 0.908 120.883 120.400 -0.708 0.000 2.074 477 K HA -0.184 4.294 4.320 0.264 0.000 0.209 477 K C -0.358 176.033 176.600 -0.348 0.000 1.048 477 K CA 1.811 57.493 56.287 -1.008 0.000 0.926 477 K CB -0.337 31.585 32.500 -0.963 0.000 0.713 477 K HN 0.798 nan 8.250 nan 0.000 0.444 478 D N -1.974 118.296 120.400 -0.216 0.000 2.610 478 D HA 0.174 4.972 4.640 0.264 0.000 0.271 478 D C -0.077 176.183 176.300 -0.067 0.000 1.174 478 D CA -0.928 53.005 54.000 -0.112 0.000 0.949 478 D CB 0.321 41.059 40.800 -0.104 0.000 1.430 478 D HN -0.199 nan 8.370 nan 0.000 0.467 479 N N -0.511 118.163 118.700 -0.043 0.000 2.289 479 N HA -0.083 4.815 4.740 0.264 0.000 0.184 479 N C -0.023 175.471 175.510 -0.027 0.000 1.016 479 N CA 0.811 53.845 53.050 -0.027 0.000 0.872 479 N CB -0.405 38.070 38.487 -0.020 0.000 0.973 479 N HN 0.364 nan 8.380 nan 0.000 0.433 480 N N -0.468 118.211 118.700 -0.035 0.000 2.380 480 N HA 0.059 4.957 4.740 0.264 0.000 0.255 480 N C -0.853 174.634 175.510 -0.039 0.000 1.158 480 N CA -0.016 53.015 53.050 -0.031 0.000 0.878 480 N CB 0.576 39.046 38.487 -0.028 0.000 1.138 480 N HN -0.051 nan 8.380 nan 0.000 0.509 481 S N 0.056 115.727 115.700 -0.047 0.000 2.513 481 S HA 0.488 5.116 4.470 0.264 0.000 0.299 481 S C -0.128 174.454 174.600 -0.030 0.000 1.087 481 S CA -0.845 57.323 58.200 -0.054 0.000 1.012 481 S CB 0.985 64.123 63.200 -0.102 0.000 1.044 481 S HN 0.259 nan 8.310 nan 0.000 0.485 482 I N 4.827 125.385 120.570 -0.020 0.000 2.836 482 I HA 0.266 4.594 4.170 0.264 0.000 0.285 482 I C -0.069 176.054 176.117 0.011 0.000 1.174 482 I CA -0.555 60.744 61.300 -0.002 0.000 1.405 482 I CB 0.430 38.431 38.000 0.002 0.000 1.385 482 I HN 0.664 nan 8.210 nan 0.000 0.594 483 I N 6.882 127.466 120.570 0.023 0.000 2.683 483 I HA -0.095 4.233 4.170 0.264 0.000 0.286 483 I C 1.052 177.193 176.117 0.041 0.000 1.175 483 I CA -0.056 61.267 61.300 0.040 0.000 1.429 483 I CB 0.044 38.064 38.000 0.033 0.000 1.371 483 I HN 0.856 nan 8.210 nan 0.000 0.569 484 c N 4.475 123.118 118.600 0.071 0.000 4.259 484 c HA -0.227 4.501 4.570 0.264 0.000 0.294 484 c C 1.424 175.534 174.090 0.033 0.000 1.459 484 c CA 0.677 57.035 56.329 0.048 0.000 2.016 484 c CB -3.273 39.219 42.510 -0.030 0.000 1.274 484 c HN 1.077 nan 8.230 nan 0.000 0.792 485 S N -1.580 114.146 115.700 0.043 0.000 3.521 485 S HA -0.032 4.596 4.470 0.264 0.000 0.362 485 S C 1.084 175.687 174.600 0.005 0.000 1.044 485 S CA 1.314 59.521 58.200 0.013 0.000 1.091 485 S CB -1.564 61.644 63.200 0.012 0.000 0.908 485 S HN 2.599 nan 8.310 nan 0.000 0.473 486 G N 0.276 109.084 108.800 0.013 0.000 2.960 486 G HA2 -0.132 3.986 3.960 0.264 0.000 0.267 486 G HA3 -0.132 3.986 3.960 0.264 0.000 0.267 486 G C 0.121 175.034 174.900 0.020 0.000 1.492 486 G CA -0.309 44.810 45.100 0.033 0.000 0.953 486 G HN 1.540 nan 8.290 nan 0.000 0.555 487 L N -2.187 119.101 121.223 0.109 0.000 3.843 487 L HA -0.081 4.417 4.340 0.264 0.000 0.411 487 L C 0.981 177.683 176.870 -0.280 0.000 1.205 487 L CA 1.061 55.997 54.840 0.161 0.000 0.945 487 L CB -1.896 40.203 42.059 0.067 0.000 1.929 487 L HN 2.246 nan 8.230 nan 0.000 0.934 488 G N 0.146 108.575 108.800 -0.619 0.000 2.617 488 G HA2 0.506 4.624 3.960 0.264 0.000 0.305 488 G HA3 0.506 4.624 3.960 0.264 0.000 0.305 488 G C -1.388 173.266 174.900 -0.410 0.000 1.436 488 G CA -0.336 44.296 45.100 -0.781 0.000 1.036 488 G HN 0.176 nan 8.290 nan 0.000 0.589 489 D N 0.244 120.461 120.400 -0.305 0.000 2.280 489 D HA 0.432 5.230 4.640 0.264 0.000 0.236 489 D C 0.415 176.698 176.300 -0.029 0.000 1.082 489 D CA -0.681 53.311 54.000 -0.012 0.000 0.834 489 D CB 1.425 42.315 40.800 0.151 0.000 1.100 489 D HN 0.417 nan 8.370 nan 0.000 0.486 490 c N 3.062 121.655 118.600 -0.012 0.000 2.632 490 c HA 0.559 5.287 4.570 0.264 0.000 0.415 490 c C -0.269 173.820 174.090 -0.001 0.000 1.332 490 c CA -0.061 56.260 56.329 -0.013 0.000 1.874 490 c CB -0.802 41.708 42.510 -0.000 0.000 2.596 490 c HN 0.501 nan 8.230 nan 0.000 0.590 491 V N 6.198 126.109 119.914 -0.006 0.000 2.612 491 V HA 0.349 4.627 4.120 0.264 0.000 0.301 491 V C 0.206 176.302 176.094 0.003 0.000 1.059 491 V CA -0.623 61.680 62.300 0.004 0.000 0.886 491 V CB 1.177 33.005 31.823 0.009 0.000 1.007 491 V HN 1.160 nan 8.190 nan 0.000 0.426 492 c N 4.967 123.573 118.600 0.010 0.000 4.209 492 c HA -0.067 4.661 4.570 0.264 0.000 0.305 492 c C 1.832 175.922 174.090 -0.000 0.000 1.339 492 c CA 1.551 57.887 56.329 0.012 0.000 2.062 492 c CB -1.894 40.628 42.510 0.020 0.000 1.307 492 c HN 2.072 nan 8.230 nan 0.000 0.706 493 G N -0.304 108.494 108.800 -0.003 0.000 2.640 493 G HA2 -0.313 3.805 3.960 0.264 0.000 0.226 493 G HA3 -0.313 3.805 3.960 0.264 0.000 0.226 493 G C 0.093 174.973 174.900 -0.032 0.000 1.222 493 G CA 1.241 46.334 45.100 -0.011 0.000 0.729 493 G HN 1.250 nan 8.290 nan 0.000 0.516 494 Q N 0.229 120.002 119.800 -0.044 0.000 2.222 494 Q HA 0.692 5.191 4.340 0.264 0.000 0.211 494 Q C -0.184 175.772 176.000 -0.074 0.000 1.013 494 Q CA -0.412 55.342 55.803 -0.081 0.000 0.993 494 Q CB 1.236 29.931 28.738 -0.072 0.000 1.151 494 Q HN 0.412 nan 8.270 nan 0.000 0.544 495 c N 0.655 119.193 118.600 -0.102 0.000 2.493 495 c HA 0.583 5.311 4.570 0.264 0.000 0.326 495 c C -0.747 173.292 174.090 -0.086 0.000 1.200 495 c CA -0.741 55.533 56.329 -0.091 0.000 1.739 495 c CB 1.023 43.469 42.510 -0.106 0.000 2.300 495 c HN 0.768 nan 8.230 nan 0.000 0.500 496 L N 3.395 124.565 121.223 -0.089 0.000 2.335 496 L HA 0.463 4.961 4.340 0.264 0.000 0.268 496 L C -0.096 176.687 176.870 -0.145 0.000 1.037 496 L CA -0.033 54.760 54.840 -0.078 0.000 0.895 496 L CB -0.237 41.802 42.059 -0.033 0.000 1.266 496 L HN 0.857 nan 8.230 nan 0.000 0.439 497 c N 3.222 121.740 118.600 -0.136 0.000 2.563 497 c HA 0.047 4.775 4.570 0.264 0.000 0.411 497 c C 1.084 175.105 174.090 -0.115 0.000 1.386 497 c CA -0.123 56.102 56.329 -0.174 0.000 1.703 497 c CB -1.343 41.118 42.510 -0.081 0.000 2.596 497 c HN 0.739 nan 8.230 nan 0.000 0.605 498 H N 0.680 119.752 119.070 0.003 0.000 2.730 498 H HA 0.385 5.099 4.556 0.263 0.000 0.376 498 H C 0.856 176.189 175.328 0.009 0.000 1.299 498 H CA 0.471 56.521 56.048 0.005 0.000 1.447 498 H CB 0.456 30.219 29.762 0.003 0.000 1.493 498 H HN 0.766 nan 8.280 nan 0.000 0.619 499 T N -1.521 113.126 114.554 0.155 0.000 2.856 499 T HA 0.436 4.944 4.350 0.264 0.000 0.283 499 T C -0.221 174.518 174.700 0.065 0.000 1.008 499 T CA -1.085 61.066 62.100 0.086 0.000 0.997 499 T CB 1.682 70.588 68.868 0.062 0.000 0.992 499 T HN 0.436 nan 8.240 nan 0.000 0.454 500 S N 1.544 117.276 115.700 0.052 0.000 2.519 500 S HA 0.387 5.015 4.470 0.264 0.000 0.309 500 S C -0.376 174.241 174.600 0.030 0.000 1.100 500 S CA -0.814 57.407 58.200 0.036 0.000 1.059 500 S CB 0.553 63.774 63.200 0.036 0.000 1.008 500 S HN 0.832 nan 8.310 nan 0.000 0.478 501 D N 3.635 124.047 120.400 0.021 0.000 3.032 501 D HA 0.185 4.983 4.640 0.264 0.000 0.241 501 D C -0.218 176.091 176.300 0.015 0.000 1.196 501 D CA -0.219 53.792 54.000 0.018 0.000 0.927 501 D CB -0.229 40.579 40.800 0.013 0.000 1.129 501 D HN 0.155 nan 8.370 nan 0.000 0.458 502 V N 0.712 120.636 119.914 0.018 0.000 2.448 502 V HA 0.342 4.620 4.120 0.264 0.000 0.295 502 V C -2.165 173.938 176.094 0.015 0.000 1.025 502 V CA -2.124 60.185 62.300 0.014 0.000 0.859 502 V CB 1.859 33.691 31.823 0.014 0.000 0.988 502 V HN 0.060 nan 8.190 nan 0.000 0.431 503 P HA 0.116 nan 4.420 nan 0.000 0.257 503 P C 1.072 178.377 177.300 0.009 0.000 1.162 503 P CA 1.874 64.980 63.100 0.010 0.000 0.762 503 P CB 0.211 31.915 31.700 0.007 0.000 0.753 504 G N 2.540 111.346 108.800 0.010 0.000 2.579 504 G HA2 -0.305 3.813 3.960 0.264 0.000 0.222 504 G HA3 -0.305 3.813 3.960 0.264 0.000 0.222 504 G C 0.399 175.309 174.900 0.016 0.000 1.201 504 G CA 0.282 45.385 45.100 0.004 0.000 0.710 504 G HN 0.715 nan 8.290 nan 0.000 0.516 505 K N 0.715 121.127 120.400 0.021 0.000 2.530 505 K HA 0.406 4.884 4.320 0.264 0.000 0.280 505 K C -0.517 176.114 176.600 0.052 0.000 1.004 505 K CA 0.684 56.990 56.287 0.032 0.000 1.071 505 K CB 0.237 32.753 32.500 0.028 0.000 0.876 505 K HN 1.283 nan 8.250 nan 0.000 0.487 506 L N 6.278 127.546 121.223 0.075 0.000 2.795 506 L HA 0.384 4.883 4.340 0.264 0.000 0.260 506 L C -1.626 175.342 176.870 0.162 0.000 0.935 506 L CA -0.452 54.455 54.840 0.111 0.000 0.985 506 L CB 0.989 43.123 42.059 0.125 0.000 1.433 506 L HN 0.537 nan 8.230 nan 0.000 0.447 507 I N 4.870 125.503 120.570 0.106 0.000 2.677 507 I HA 0.571 4.899 4.170 0.264 0.000 0.305 507 I C -0.279 175.910 176.117 0.120 0.000 0.988 507 I CA -0.216 61.104 61.300 0.032 0.000 1.260 507 I CB 1.308 39.298 38.000 -0.018 0.000 1.410 507 I HN 0.840 nan 8.210 nan 0.000 0.523 508 Y N 0.545 120.802 120.300 -0.071 0.000 2.765 508 Y HA 0.651 5.359 4.550 0.264 0.000 0.350 508 Y C -0.525 175.336 175.900 -0.065 0.000 1.196 508 Y CA -0.946 57.087 58.100 -0.111 0.000 1.119 508 Y CB 0.817 39.148 38.460 -0.215 0.000 1.368 508 Y HN 0.974 nan 8.280 nan 0.000 0.463 509 G N 0.882 109.729 108.800 0.078 0.000 2.392 509 G HA2 0.009 4.127 3.960 0.264 0.000 0.677 509 G HA3 0.009 4.127 3.960 0.264 0.000 0.677 509 G C -0.418 174.449 174.900 -0.055 0.000 1.334 509 G CA -0.267 44.850 45.100 0.028 0.000 0.961 509 G HN 0.906 nan 8.290 nan 0.000 0.616 510 Q N -0.665 119.060 119.800 -0.125 0.000 2.061 510 Q HA -0.122 4.376 4.340 0.264 0.000 0.204 510 Q C 1.323 177.025 176.000 -0.496 0.000 0.984 510 Q CA 2.316 57.879 55.803 -0.400 0.000 0.846 510 Q CB -0.037 28.280 28.738 -0.702 0.000 0.902 510 Q HN 0.690 nan 8.270 nan 0.000 0.421 511 Y N -1.921 118.356 120.300 -0.039 0.000 2.658 511 Y HA 0.270 4.978 4.550 0.263 0.000 0.276 511 Y C 0.160 176.013 175.900 -0.079 0.000 1.167 511 Y CA -0.918 57.151 58.100 -0.052 0.000 1.230 511 Y CB 0.011 38.446 38.460 -0.041 0.000 1.144 511 Y HN 0.048 nan 8.280 nan 0.000 0.529 512 c N 2.837 121.434 118.600 -0.005 0.000 4.056 512 c HA -0.203 4.525 4.570 0.264 0.000 0.302 512 c C 1.793 175.835 174.090 -0.079 0.000 1.356 512 c CA 1.045 57.330 56.329 -0.073 0.000 2.074 512 c CB -1.688 40.765 42.510 -0.095 0.000 1.328 512 c HN 0.746 nan 8.230 nan 0.000 0.684 513 E N -1.812 118.336 120.200 -0.086 0.000 2.389 513 E HA 0.079 4.587 4.350 0.264 0.000 0.199 513 E C 0.595 177.081 176.600 -0.190 0.000 0.978 513 E CA 0.372 56.718 56.400 -0.090 0.000 0.912 513 E CB 0.082 29.767 29.700 -0.026 0.000 0.907 513 E HN 0.694 nan 8.360 nan 0.000 0.494 514 c N 2.775 121.135 118.600 -0.401 0.000 2.366 514 c HA 0.533 5.261 4.570 0.264 0.000 0.345 514 c C -0.325 173.289 174.090 -0.794 0.000 1.209 514 c CA -0.553 55.407 56.329 -0.615 0.000 2.050 514 c CB 0.867 42.872 42.510 -0.841 0.000 2.359 514 c HN 0.540 nan 8.230 nan 0.000 0.527 515 D N -0.389 119.807 120.400 -0.340 0.000 2.566 515 D HA 0.455 5.253 4.640 0.264 0.000 0.254 515 D C -0.379 176.030 176.300 0.181 0.000 1.090 515 D CA -0.428 53.546 54.000 -0.043 0.000 1.034 515 D CB 0.794 41.578 40.800 -0.027 0.000 1.434 515 D HN 0.458 nan 8.370 nan 0.000 0.509 516 T N -2.295 112.359 114.554 0.167 0.000 3.327 516 T HA 0.484 4.993 4.350 0.264 0.000 0.244 516 T C 0.692 175.371 174.700 -0.035 0.000 1.074 516 T CA -0.397 61.709 62.100 0.011 0.000 1.156 516 T CB -1.120 67.697 68.868 -0.085 0.000 1.087 516 T HN 0.544 nan 8.240 nan 0.000 0.575 517 I N -3.675 116.891 120.570 -0.006 0.000 5.285 517 I HA 0.504 4.832 4.170 0.264 0.000 0.351 517 I C -0.034 176.084 176.117 0.002 0.000 1.206 517 I CA -0.223 61.072 61.300 -0.007 0.000 1.527 517 I CB 0.113 38.115 38.000 0.004 0.000 1.694 517 I HN 0.116 nan 8.210 nan 0.000 0.585 518 N N 1.898 120.603 118.700 0.007 0.000 3.229 518 N HA 0.442 5.340 4.740 0.264 0.000 0.275 518 N C -0.861 174.661 175.510 0.020 0.000 1.225 518 N CA -0.113 52.943 53.050 0.011 0.000 1.119 518 N CB 0.093 38.584 38.487 0.006 0.000 1.392 518 N HN 0.488 nan 8.380 nan 0.000 0.520 519 c N -0.341 118.273 118.600 0.024 0.000 3.459 519 c HA 0.478 5.206 4.570 0.264 0.000 0.358 519 c C 0.339 174.452 174.090 0.040 0.000 2.992 519 c CA -0.907 55.443 56.329 0.036 0.000 1.568 519 c CB 0.846 43.379 42.510 0.039 0.000 3.388 519 c HN 0.516 nan 8.230 nan 0.000 0.515 520 E N 0.791 121.022 120.200 0.051 0.000 2.259 520 E HA 0.358 4.866 4.350 0.264 0.000 0.281 520 E C -0.146 176.500 176.600 0.078 0.000 1.027 520 E CA -0.144 56.292 56.400 0.061 0.000 0.838 520 E CB 0.628 30.368 29.700 0.068 0.000 1.066 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.267 122.816 120.500 0.082 0.000 2.571 521 R HA 0.377 4.875 4.340 0.264 0.000 0.259 521 R C -0.997 175.418 176.300 0.192 0.000 1.226 521 R CA -0.457 55.706 56.100 0.104 0.000 1.157 521 R CB 0.638 30.977 30.300 0.065 0.000 1.220 521 R HN 0.588 nan 8.270 nan 0.000 0.605 522 Y N 0.039 120.353 120.300 0.024 0.000 2.273 522 Y HA 0.024 4.732 4.550 0.263 0.000 0.316 522 Y C -1.000 174.916 175.900 0.026 0.000 1.294 522 Y CA -0.712 57.406 58.100 0.030 0.000 1.198 522 Y CB 0.785 39.270 38.460 0.042 0.000 1.299 522 Y HN 0.826 nan 8.280 nan 0.000 0.413 523 N N 4.208 122.694 118.700 -0.357 0.000 2.725 523 N HA -0.167 4.731 4.740 0.264 0.000 0.251 523 N C 0.558 176.055 175.510 -0.022 0.000 1.031 523 N CA 2.329 55.262 53.050 -0.196 0.000 0.720 523 N CB -1.106 37.321 38.487 -0.100 0.000 0.930 523 N HN 1.878 nan 8.380 nan 0.000 0.543 524 G N -0.519 108.269 108.800 -0.019 0.000 2.305 524 G HA2 -0.307 3.811 3.960 0.264 0.000 0.287 524 G HA3 -0.307 3.811 3.960 0.264 0.000 0.287 524 G C -0.293 174.628 174.900 0.037 0.000 1.036 524 G CA 0.919 46.023 45.100 0.008 0.000 0.887 524 G HN 0.744 nan 8.290 nan 0.000 0.505 525 Q N -1.541 118.302 119.800 0.071 0.000 2.379 525 Q HA 0.501 4.999 4.340 0.264 0.000 0.278 525 Q C 0.173 176.223 176.000 0.083 0.000 1.068 525 Q CA -0.869 54.979 55.803 0.076 0.000 0.816 525 Q CB 2.922 31.716 28.738 0.094 0.000 1.387 525 Q HN 0.703 nan 8.270 nan 0.000 0.413 526 V N -1.242 118.701 119.914 0.049 0.000 2.450 526 V HA 0.041 4.319 4.120 0.264 0.000 0.281 526 V C 0.639 176.754 176.094 0.035 0.000 1.019 526 V CA -0.390 61.931 62.300 0.035 0.000 1.062 526 V CB -0.145 31.682 31.823 0.007 0.000 0.979 526 V HN 1.084 nan 8.190 nan 0.000 0.477 527 c N 3.009 121.639 118.600 0.050 0.000 4.252 527 c HA -0.109 4.619 4.570 0.264 0.000 0.285 527 c C 1.642 175.741 174.090 0.014 0.000 1.466 527 c CA 1.269 57.619 56.329 0.036 0.000 1.946 527 c CB -2.126 40.389 42.510 0.008 0.000 1.366 527 c HN 2.698 nan 8.230 nan 0.000 0.783 528 G N -1.465 107.373 108.800 0.063 0.000 2.215 528 G HA2 0.443 4.561 3.960 0.264 0.000 0.198 528 G HA3 0.443 4.561 3.960 0.264 0.000 0.198 528 G C 0.885 175.801 174.900 0.027 0.000 1.047 528 G CA 0.493 45.615 45.100 0.037 0.000 0.747 528 G HN 2.708 nan 8.290 nan 0.000 0.495 529 G N -0.220 108.608 108.800 0.046 0.000 2.907 529 G HA2 0.069 4.188 3.960 0.264 0.000 0.242 529 G HA3 0.069 4.188 3.960 0.264 0.000 0.242 529 G C -0.482 174.419 174.900 0.002 0.000 1.448 529 G CA 0.304 45.418 45.100 0.024 0.000 0.911 529 G HN 0.836 nan 8.290 nan 0.000 0.553 530 P HA -0.020 nan 4.420 nan 0.000 0.223 530 P C 1.847 179.145 177.300 -0.004 0.000 1.151 530 P CA 1.981 65.089 63.100 0.014 0.000 0.787 530 P CB -0.266 31.434 31.700 -0.001 0.000 0.788 531 G N 0.900 109.657 108.800 -0.072 0.000 2.505 531 G HA2 -0.185 3.934 3.960 0.264 0.000 0.214 531 G HA3 -0.185 3.934 3.960 0.264 0.000 0.214 531 G C 1.792 176.505 174.900 -0.311 0.000 1.237 531 G CA 0.456 45.444 45.100 -0.187 0.000 0.802 531 G HN 0.165 nan 8.290 nan 0.000 0.549 532 R N 0.145 120.474 120.500 -0.286 0.000 2.082 532 R HA 0.150 4.648 4.340 0.264 0.000 0.228 532 R C 1.598 177.749 176.300 -0.248 0.000 1.140 532 R CA 1.191 56.958 56.100 -0.555 0.000 0.920 532 R CB -0.476 29.635 30.300 -0.315 0.000 0.828 532 R HN 0.427 nan 8.270 nan 0.000 0.430 533 G N -1.177 107.581 108.800 -0.070 0.000 3.135 533 G HA2 0.638 4.756 3.960 0.264 0.000 0.278 533 G HA3 0.638 4.756 3.960 0.264 0.000 0.278 533 G C -1.460 173.394 174.900 -0.076 0.000 1.302 533 G CA -0.679 44.371 45.100 -0.084 0.000 0.880 533 G HN 0.032 nan 8.290 nan 0.000 0.574 534 L N -1.367 119.811 121.223 -0.076 0.000 2.403 534 L HA 0.603 5.101 4.340 0.264 0.000 0.253 534 L C -1.003 175.850 176.870 -0.028 0.000 1.045 534 L CA -0.931 53.880 54.840 -0.048 0.000 0.845 534 L CB 2.518 44.584 42.059 0.013 0.000 1.447 534 L HN 0.696 nan 8.230 nan 0.000 0.411 535 c N 0.819 119.273 118.600 -0.242 0.000 2.351 535 c HA 0.740 5.468 4.570 0.264 0.000 0.326 535 c C -1.106 172.671 174.090 -0.521 0.000 1.272 535 c CA -0.514 55.692 56.329 -0.205 0.000 1.650 535 c CB -0.143 42.282 42.510 -0.142 0.000 2.257 535 c HN 0.525 nan 8.230 nan 0.000 0.505 536 F N 4.746 124.765 119.950 0.116 0.000 3.164 536 F HA 0.333 5.018 4.527 0.263 0.000 0.375 536 F C 0.532 176.451 175.800 0.199 0.000 1.257 536 F CA -0.469 57.651 58.000 0.201 0.000 1.171 536 F CB 0.886 39.977 39.000 0.152 0.000 1.588 536 F HN 0.944 nan 8.300 nan 0.000 0.604 537 c N 3.071 121.862 118.600 0.320 0.000 4.067 537 c HA 0.048 4.776 4.570 0.264 0.000 0.305 537 c C 1.534 175.697 174.090 0.121 0.000 1.305 537 c CA 1.345 57.775 56.329 0.168 0.000 2.111 537 c CB -1.739 40.883 42.510 0.187 0.000 1.339 537 c HN 1.879 nan 8.230 nan 0.000 0.668 538 G N 0.860 109.715 108.800 0.093 0.000 2.900 538 G HA2 -0.263 3.855 3.960 0.264 0.000 0.223 538 G HA3 -0.263 3.855 3.960 0.264 0.000 0.223 538 G C 0.221 175.171 174.900 0.083 0.000 1.293 538 G CA 0.658 45.800 45.100 0.070 0.000 0.792 538 G HN 0.876 nan 8.290 nan 0.000 0.527 539 K N 0.593 121.058 120.400 0.107 0.000 2.185 539 K HA 0.512 4.990 4.320 0.264 0.000 0.271 539 K C -0.250 176.430 176.600 0.132 0.000 1.013 539 K CA -0.172 56.178 56.287 0.105 0.000 0.943 539 K CB 1.200 33.761 32.500 0.100 0.000 0.998 539 K HN 0.298 nan 8.250 nan 0.000 0.468 540 c N 2.458 121.119 118.600 0.102 0.000 2.307 540 c HA 0.302 5.030 4.570 0.264 0.000 0.340 540 c C 0.434 174.581 174.090 0.095 0.000 1.275 540 c CA -0.820 55.569 56.329 0.100 0.000 1.811 540 c CB -0.287 42.258 42.510 0.058 0.000 2.372 540 c HN 0.710 nan 8.230 nan 0.000 0.531 541 R N 2.238 122.817 120.500 0.132 0.000 2.593 541 R HA 0.257 4.755 4.340 0.264 0.000 0.282 541 R C -0.449 175.834 176.300 -0.029 0.000 1.300 541 R CA -0.277 55.853 56.100 0.051 0.000 1.221 541 R CB 0.147 30.463 30.300 0.026 0.000 1.157 541 R HN 0.744 nan 8.270 nan 0.000 0.555 542 c N 2.190 120.781 118.600 -0.015 0.000 2.662 542 c HA 0.047 4.775 4.570 0.264 0.000 0.420 542 c C 1.158 175.218 174.090 -0.049 0.000 1.314 542 c CA -0.389 55.923 56.329 -0.028 0.000 1.963 542 c CB -0.683 41.872 42.510 0.075 0.000 2.686 542 c HN 0.686 nan 8.230 nan 0.000 0.609 543 H N 2.446 121.465 119.070 -0.086 0.000 2.935 543 H HA 0.125 4.840 4.556 0.264 0.000 0.376 543 H C -1.935 173.447 175.328 0.090 0.000 1.307 543 H CA 0.298 56.304 56.048 -0.071 0.000 1.442 543 H CB -0.162 29.459 29.762 -0.236 0.000 1.427 543 H HN 0.466 nan 8.280 nan 0.000 0.615 544 P HA 0.009 nan 4.420 nan 0.000 0.265 544 P C 0.607 178.126 177.300 0.364 0.000 1.193 544 P CA 1.333 64.566 63.100 0.222 0.000 0.765 544 P CB 0.546 32.333 31.700 0.145 0.000 0.823 545 G N 0.875 109.808 108.800 0.223 0.000 2.157 545 G HA2 -0.224 3.894 3.960 0.264 0.000 0.248 545 G HA3 -0.224 3.894 3.960 0.264 0.000 0.248 545 G C -0.324 174.479 174.900 -0.161 0.000 0.979 545 G CA -0.469 44.663 45.100 0.053 0.000 0.650 545 G HN 0.388 nan 8.290 nan 0.000 0.529 546 F N 1.142 121.098 119.950 0.009 0.000 2.539 546 F HA 0.617 5.302 4.527 0.263 0.000 0.318 546 F C 0.179 175.972 175.800 -0.011 0.000 1.135 546 F CA -0.954 57.041 58.000 -0.009 0.000 0.915 546 F CB 1.724 40.719 39.000 -0.008 0.000 1.176 546 F HN 0.376 nan 8.300 nan 0.000 0.440 547 E N 1.232 121.496 120.200 0.108 0.000 2.404 547 E HA 0.921 5.429 4.350 0.264 0.000 0.264 547 E C -0.284 176.348 176.600 0.053 0.000 0.946 547 E CA -1.438 55.003 56.400 0.068 0.000 0.806 547 E CB 2.592 32.313 29.700 0.035 0.000 1.334 547 E HN 0.891 nan 8.360 nan 0.000 0.429 548 G N -0.287 108.540 108.800 0.045 0.000 2.423 548 G HA2 -0.157 3.961 3.960 0.264 0.000 0.684 548 G HA3 -0.157 3.961 3.960 0.264 0.000 0.684 548 G C 0.264 175.193 174.900 0.048 0.000 1.309 548 G CA -0.190 44.936 45.100 0.044 0.000 0.950 548 G HN 0.405 nan 8.290 nan 0.000 0.587 549 S N -0.264 115.469 115.700 0.055 0.000 2.370 549 S HA 0.132 4.760 4.470 0.264 0.000 0.226 549 S C 1.880 176.516 174.600 0.061 0.000 1.033 549 S CA 2.468 60.703 58.200 0.058 0.000 1.011 549 S CB -0.057 63.180 63.200 0.063 0.000 0.852 549 S HN 2.018 nan 8.310 nan 0.000 0.457 550 A N -0.864 121.996 122.820 0.067 0.000 2.663 550 A HA 0.526 5.004 4.320 0.264 0.000 0.273 550 A C 0.587 178.160 177.584 -0.018 0.000 0.932 550 A CA -0.274 51.798 52.037 0.058 0.000 1.055 550 A CB -0.734 18.334 19.000 0.113 0.000 1.206 550 A HN 0.585 nan 8.150 nan 0.000 0.485 551 c N -0.380 118.204 118.600 -0.026 0.000 4.497 551 c HA -0.268 4.460 4.570 0.264 0.000 0.292 551 c C 2.143 176.086 174.090 -0.246 0.000 1.366 551 c CA 1.215 57.495 56.329 -0.082 0.000 1.987 551 c CB -3.192 39.248 42.510 -0.117 0.000 1.241 551 c HN 0.877 nan 8.230 nan 0.000 0.788 552 Q N -0.405 119.363 119.800 -0.054 0.000 2.016 552 Q HA -0.126 4.373 4.340 0.264 0.000 0.200 552 Q C 1.556 177.634 176.000 0.129 0.000 0.978 552 Q CA 1.723 57.611 55.803 0.143 0.000 0.833 552 Q CB -0.284 28.596 28.738 0.236 0.000 0.895 552 Q HN 0.756 nan 8.270 nan 0.000 0.427 553 c N 2.892 121.532 118.600 0.067 0.000 2.896 553 c HA 0.116 4.845 4.570 0.264 0.000 0.499 553 c C 1.613 175.697 174.090 -0.010 0.000 1.022 553 c CA -0.405 55.947 56.329 0.039 0.000 1.127 553 c CB -1.795 40.731 42.510 0.026 0.000 1.452 553 c HN 0.598 nan 8.230 nan 0.000 0.580 554 E N 1.879 122.067 120.200 -0.020 0.000 2.097 554 E HA -0.141 4.367 4.350 0.264 0.000 0.196 554 E C 0.691 177.106 176.600 -0.309 0.000 1.000 554 E CA 1.165 57.541 56.400 -0.040 0.000 0.804 554 E CB 0.239 29.946 29.700 0.012 0.000 0.740 554 E HN 0.703 nan 8.360 nan 0.000 0.454 555 R N -0.594 119.727 120.500 -0.298 0.000 2.562 555 R HA 0.168 4.666 4.340 0.264 0.000 0.298 555 R C 0.361 176.520 176.300 -0.235 0.000 0.961 555 R CA -0.143 55.701 56.100 -0.426 0.000 0.881 555 R CB 1.597 31.695 30.300 -0.337 0.000 1.159 555 R HN -0.099 nan 8.270 nan 0.000 0.450 556 T N 0.897 115.314 114.554 -0.228 0.000 3.129 556 T HA -0.030 4.478 4.350 0.264 0.000 0.251 556 T C 1.023 175.664 174.700 -0.099 0.000 1.117 556 T CA 0.651 62.679 62.100 -0.120 0.000 1.034 556 T CB -0.034 68.783 68.868 -0.086 0.000 0.968 556 T HN 0.789 nan 8.240 nan 0.000 0.526 557 T N -0.159 114.320 114.554 -0.124 0.000 2.773 557 T HA 0.281 4.789 4.350 0.264 0.000 0.337 557 T C -0.035 174.627 174.700 -0.064 0.000 1.086 557 T CA -0.390 61.657 62.100 -0.088 0.000 0.998 557 T CB 0.446 69.256 68.868 -0.097 0.000 1.281 557 T HN 0.274 nan 8.240 nan 0.000 0.525 558 E N -0.594 119.576 120.200 -0.050 0.000 2.761 558 E HA 0.340 4.848 4.350 0.264 0.000 0.266 558 E C 0.553 177.134 176.600 -0.031 0.000 1.097 558 E CA -0.560 55.818 56.400 -0.036 0.000 0.773 558 E CB 0.743 30.426 29.700 -0.028 0.000 1.453 558 E HN 0.882 nan 8.360 nan 0.000 0.388 559 G N 0.356 109.138 108.800 -0.031 0.000 2.848 559 G HA2 -0.126 3.993 3.960 0.264 0.000 0.208 559 G HA3 -0.126 3.993 3.960 0.264 0.000 0.208 559 G C 1.122 176.012 174.900 -0.017 0.000 1.152 559 G CA 0.159 45.244 45.100 -0.024 0.000 0.789 559 G HN 0.514 nan 8.290 nan 0.000 0.531 560 c N 0.411 119.001 118.600 -0.016 0.000 2.491 560 c HA 0.282 5.010 4.570 0.264 0.000 0.277 560 c C 1.251 175.333 174.090 -0.013 0.000 1.455 560 c CA -0.794 55.528 56.329 -0.012 0.000 1.758 560 c CB -1.407 41.096 42.510 -0.011 0.000 1.745 560 c HN 0.270 nan 8.230 nan 0.000 0.558 561 L N 3.070 124.283 121.223 -0.016 0.000 2.349 561 L HA 0.248 4.746 4.340 0.264 0.000 0.275 561 L C 0.356 177.218 176.870 -0.014 0.000 1.115 561 L CA -0.120 54.710 54.840 -0.016 0.000 0.820 561 L CB 0.495 42.544 42.059 -0.017 0.000 1.135 561 L HN 0.400 nan 8.230 nan 0.000 0.445 562 N N 3.605 122.297 118.700 -0.013 0.000 2.495 562 N HA 0.377 5.275 4.740 0.264 0.000 0.294 562 N C -2.232 173.271 175.510 -0.012 0.000 1.276 562 N CA -1.989 51.054 53.050 -0.011 0.000 0.973 562 N CB -0.551 37.931 38.487 -0.009 0.000 1.143 562 N HN 0.115 nan 8.380 nan 0.000 0.589 563 P HA -0.016 nan 4.420 nan 0.000 0.220 563 P C 0.976 178.270 177.300 -0.010 0.000 1.148 563 P CA 1.158 64.251 63.100 -0.011 0.000 0.803 563 P CB 0.175 31.869 31.700 -0.011 0.000 0.782 564 R N -0.658 119.836 120.500 -0.010 0.000 2.241 564 R HA 0.010 4.508 4.340 0.264 0.000 0.224 564 R C 0.495 176.789 176.300 -0.010 0.000 1.101 564 R CA 0.511 56.605 56.100 -0.010 0.000 0.995 564 R CB -0.714 29.578 30.300 -0.013 0.000 0.870 564 R HN 0.109 nan 8.270 nan 0.000 0.463 565 R N -0.526 119.968 120.500 -0.011 0.000 3.525 565 R HA -0.125 4.373 4.340 0.264 0.000 0.276 565 R C -0.520 175.772 176.300 -0.013 0.000 1.116 565 R CA 0.589 56.682 56.100 -0.011 0.000 0.745 565 R CB -2.718 27.578 30.300 -0.008 0.000 1.185 565 R HN 0.207 nan 8.270 nan 0.000 0.454 566 V N 0.375 120.279 119.914 -0.017 0.000 2.487 566 V HA 0.281 4.559 4.120 0.264 0.000 0.298 566 V C 0.315 176.395 176.094 -0.024 0.000 1.028 566 V CA -0.812 61.476 62.300 -0.021 0.000 0.860 566 V CB 1.756 33.563 31.823 -0.026 0.000 0.991 566 V HN 0.280 nan 8.190 nan 0.000 0.427 567 E N 4.431 124.617 120.200 -0.023 0.000 2.493 567 E HA 0.110 4.618 4.350 0.264 0.000 0.255 567 E C 0.639 177.222 176.600 -0.028 0.000 0.999 567 E CA 0.459 56.846 56.400 -0.023 0.000 0.934 567 E CB 0.161 29.849 29.700 -0.020 0.000 0.940 567 E HN 0.973 nan 8.360 nan 0.000 0.473 568 c N 3.522 122.108 118.600 -0.024 0.000 4.274 568 c HA -0.272 4.456 4.570 0.264 0.000 0.297 568 c C 1.574 175.635 174.090 -0.048 0.000 1.446 568 c CA 0.548 56.861 56.329 -0.026 0.000 2.016 568 c CB -3.230 39.267 42.510 -0.022 0.000 1.273 568 c HN 1.065 nan 8.230 nan 0.000 0.782 569 S N -0.799 114.872 115.700 -0.047 0.000 4.149 569 S HA -0.387 4.241 4.470 0.264 0.000 0.539 569 S C 1.719 176.253 174.600 -0.110 0.000 1.811 569 S CA 2.301 60.461 58.200 -0.067 0.000 4.174 569 S CB -1.517 61.649 63.200 -0.056 0.000 0.756 569 S HN 1.558 nan 8.310 nan 0.000 0.470 570 G N 1.939 110.630 108.800 -0.182 0.000 2.556 570 G HA2 0.141 4.259 3.960 0.264 0.000 0.215 570 G HA3 0.141 4.259 3.960 0.264 0.000 0.215 570 G C 0.420 175.190 174.900 -0.216 0.000 1.258 570 G CA 0.998 45.942 45.100 -0.259 0.000 0.811 570 G HN 0.506 nan 8.290 nan 0.000 0.557 571 R N -0.890 119.471 120.500 -0.232 0.000 2.771 571 R HA 0.600 5.098 4.340 0.264 0.000 0.274 571 R C -0.695 175.572 176.300 -0.055 0.000 0.987 571 R CA 0.095 56.120 56.100 -0.124 0.000 0.908 571 R CB 1.553 31.793 30.300 -0.100 0.000 1.213 571 R HN 0.871 nan 8.270 nan 0.000 0.468 572 G N 2.071 110.862 108.800 -0.015 0.000 2.952 572 G HA2 -0.101 4.017 3.960 0.264 0.000 0.431 572 G HA3 -0.101 4.017 3.960 0.264 0.000 0.431 572 G C -0.737 174.163 174.900 0.000 0.000 1.325 572 G CA -0.906 44.199 45.100 0.009 0.000 1.146 572 G HN 0.564 nan 8.290 nan 0.000 0.581 573 R N 0.830 121.335 120.500 0.009 0.000 2.756 573 R HA 0.368 4.866 4.340 0.264 0.000 0.264 573 R C 0.437 176.738 176.300 0.003 0.000 1.026 573 R CA 0.276 56.378 56.100 0.004 0.000 1.121 573 R CB 0.535 30.841 30.300 0.010 0.000 0.999 573 R HN 0.793 nan 8.270 nan 0.000 0.449 574 c N 5.830 124.429 118.600 -0.002 0.000 2.125 574 c HA 0.402 5.130 4.570 0.264 0.000 0.355 574 c C -0.291 173.798 174.090 -0.002 0.000 1.047 574 c CA -0.595 55.731 56.329 -0.004 0.000 1.501 574 c CB -1.255 41.249 42.510 -0.010 0.000 1.783 574 c HN 0.717 nan 8.230 nan 0.000 0.455 575 R N 3.738 124.240 120.500 0.004 0.000 2.215 575 R HA 0.397 4.895 4.340 0.264 0.000 0.336 575 R C 0.414 176.719 176.300 0.009 0.000 0.996 575 R CA -0.264 55.841 56.100 0.008 0.000 0.847 575 R CB 0.520 30.829 30.300 0.015 0.000 1.127 575 R HN 0.840 nan 8.270 nan 0.000 0.465 576 c N 3.099 121.699 118.600 0.001 0.000 4.424 576 c HA -0.129 4.599 4.570 0.264 0.000 0.304 576 c C 0.177 174.267 174.090 0.001 0.000 1.344 576 c CA 0.067 56.397 56.329 0.002 0.000 2.033 576 c CB -2.472 40.057 42.510 0.031 0.000 1.264 576 c HN 1.099 nan 8.230 nan 0.000 0.750 577 N N -2.324 116.368 118.700 -0.012 0.000 2.725 577 N HA -0.168 4.730 4.740 0.264 0.000 0.249 577 N C -0.485 175.026 175.510 0.002 0.000 1.103 577 N CA 1.390 54.434 53.050 -0.011 0.000 0.707 577 N CB -0.788 37.689 38.487 -0.016 0.000 1.043 577 N HN 0.848 nan 8.380 nan 0.000 0.553 578 V N -1.027 118.891 119.914 0.006 0.000 3.078 578 V HA 0.571 4.849 4.120 0.264 0.000 0.311 578 V C 0.190 176.290 176.094 0.010 0.000 1.138 578 V CA -0.851 61.456 62.300 0.011 0.000 1.007 578 V CB 2.705 34.539 31.823 0.018 0.000 1.045 578 V HN 0.200 nan 8.190 nan 0.000 0.432 579 c N 1.292 119.900 118.600 0.013 0.000 2.411 579 c HA 0.529 5.257 4.570 0.264 0.000 0.330 579 c C 0.506 174.609 174.090 0.022 0.000 1.224 579 c CA -0.602 55.736 56.329 0.014 0.000 1.770 579 c CB 0.995 43.512 42.510 0.012 0.000 2.297 579 c HN 0.995 nan 8.230 nan 0.000 0.507 580 E N 1.161 121.376 120.200 0.024 0.000 2.360 580 E HA 0.229 4.737 4.350 0.264 0.000 0.253 580 E C -0.508 176.120 176.600 0.047 0.000 1.189 580 E CA -0.324 56.096 56.400 0.032 0.000 1.252 580 E CB 0.047 29.766 29.700 0.031 0.000 1.408 580 E HN 0.798 nan 8.360 nan 0.000 0.464 581 c N 3.334 121.966 118.600 0.054 0.000 2.523 581 c HA -0.039 4.689 4.570 0.264 0.000 0.406 581 c C 1.032 175.191 174.090 0.114 0.000 1.449 581 c CA -0.382 55.997 56.329 0.083 0.000 1.588 581 c CB -1.072 41.517 42.510 0.131 0.000 2.514 581 c HN 0.618 nan 8.230 nan 0.000 0.606 582 H N 2.469 121.558 119.070 0.032 0.000 2.745 582 H HA 0.136 4.850 4.556 0.263 0.000 0.373 582 H C 1.137 176.565 175.328 0.167 0.000 1.226 582 H CA 1.791 57.876 56.048 0.062 0.000 1.435 582 H CB 0.742 30.515 29.762 0.019 0.000 1.461 582 H HN 0.947 nan 8.280 nan 0.000 0.616 583 S N 0.814 116.294 115.700 -0.368 0.000 3.144 583 S HA -0.286 4.342 4.470 0.264 0.000 0.629 583 S C 1.469 176.091 174.600 0.037 0.000 2.962 583 S CA 1.425 59.592 58.200 -0.055 0.000 3.700 583 S CB -1.487 61.877 63.200 0.272 0.000 0.286 583 S HN 1.027 nan 8.310 nan 0.000 1.464 584 G N -0.554 108.272 108.800 0.043 0.000 2.985 584 G HA2 0.280 4.398 3.960 0.264 0.000 0.209 584 G HA3 0.280 4.398 3.960 0.264 0.000 0.209 584 G C 0.130 175.023 174.900 -0.012 0.000 1.165 584 G CA 0.200 45.291 45.100 -0.017 0.000 0.776 584 G HN 0.579 nan 8.290 nan 0.000 0.541 585 Y N 1.246 121.557 120.300 0.019 0.000 2.702 585 Y HA 0.093 4.801 4.550 0.263 0.000 0.336 585 Y C 1.167 177.074 175.900 0.012 0.000 1.235 585 Y CA 0.387 58.501 58.100 0.023 0.000 1.492 585 Y CB 0.568 39.050 38.460 0.037 0.000 1.308 585 Y HN 0.093 nan 8.280 nan 0.000 0.589 586 Q N 1.646 121.530 119.800 0.140 0.000 2.486 586 Q HA 0.453 4.951 4.340 0.264 0.000 0.274 586 Q C -0.917 175.127 176.000 0.075 0.000 1.076 586 Q CA -1.175 54.674 55.803 0.076 0.000 0.872 586 Q CB 1.933 30.690 28.738 0.031 0.000 1.383 586 Q HN 0.463 nan 8.270 nan 0.000 0.478 587 L N 1.275 122.526 121.223 0.046 0.000 2.456 587 L HA 0.213 4.711 4.340 0.264 0.000 0.257 587 L C -1.272 175.616 176.870 0.031 0.000 1.162 587 L CA -0.759 54.103 54.840 0.037 0.000 0.808 587 L CB -0.476 41.599 42.059 0.025 0.000 1.136 587 L HN 0.543 nan 8.230 nan 0.000 0.466 588 P HA 0.134 nan 4.420 nan 0.000 0.224 588 P C 0.989 178.302 177.300 0.022 0.000 1.159 588 P CA 0.751 63.863 63.100 0.020 0.000 0.824 588 P CB 0.384 32.091 31.700 0.012 0.000 0.833 589 L N -1.180 120.057 121.223 0.024 0.000 2.728 589 L HA 0.229 4.727 4.340 0.264 0.000 0.238 589 L C -0.337 176.547 176.870 0.023 0.000 1.143 589 L CA -0.273 54.577 54.840 0.016 0.000 0.937 589 L CB -0.469 41.595 42.059 0.008 0.000 1.225 589 L HN -0.084 nan 8.230 nan 0.000 0.507 590 c N 1.489 120.123 118.600 0.056 0.000 3.756 590 c HA -0.116 4.612 4.570 0.264 0.000 0.306 590 c C 1.544 175.706 174.090 0.119 0.000 1.131 590 c CA 0.645 57.031 56.329 0.095 0.000 2.333 590 c CB -2.069 40.452 42.510 0.019 0.000 1.414 590 c HN 0.784 nan 8.230 nan 0.000 0.576 591 Q N -0.032 119.887 119.800 0.198 0.000 2.599 591 Q HA 0.177 4.676 4.340 0.264 0.000 0.229 591 Q C 0.242 176.423 176.000 0.301 0.000 0.800 591 Q CA 0.604 56.538 55.803 0.217 0.000 0.937 591 Q CB 0.219 29.017 28.738 0.099 0.000 1.285 591 Q HN 0.828 nan 8.270 nan 0.000 0.600 592 E N 1.214 121.506 120.200 0.154 0.000 2.105 592 E HA 0.264 4.772 4.350 0.264 0.000 0.285 592 E C -1.007 175.538 176.600 -0.091 0.000 1.055 592 E CA -0.349 56.069 56.400 0.030 0.000 0.843 592 E CB 1.252 30.960 29.700 0.015 0.000 1.067 592 E HN 0.288 nan 8.360 nan 0.000 0.398 593 C N 7.029 126.118 119.300 -0.351 0.000 2.116 593 C HA 0.316 4.934 4.460 0.264 0.000 0.367 593 C C -1.424 173.426 174.990 -0.232 0.000 1.039 593 C CA -2.144 56.592 59.018 -0.471 0.000 1.465 593 C CB -0.851 26.275 27.740 -1.024 0.000 1.783 593 C HN 0.630 nan 8.230 nan 0.000 0.470 594 P HA 0.019 nan 4.420 nan 0.000 0.226 594 P C 1.353 178.612 177.300 -0.069 0.000 1.146 594 P CA 1.472 64.527 63.100 -0.076 0.000 0.773 594 P CB 0.115 31.786 31.700 -0.049 0.000 0.772 595 G N -2.025 106.724 108.800 -0.085 0.000 2.762 595 G HA2 -0.027 4.091 3.960 0.264 0.000 0.209 595 G HA3 -0.027 4.091 3.960 0.264 0.000 0.209 595 G C 0.240 175.108 174.900 -0.053 0.000 1.134 595 G CA -0.073 44.993 45.100 -0.057 0.000 0.781 595 G HN 0.228 nan 8.290 nan 0.000 0.528 596 C N 2.430 121.681 119.300 -0.082 0.000 2.550 596 C HA 0.114 4.732 4.460 0.264 0.000 0.406 596 C C 0.402 175.383 174.990 -0.015 0.000 1.366 596 C CA -0.574 58.414 59.018 -0.049 0.000 1.712 596 C CB 1.367 29.059 27.740 -0.080 0.000 2.613 596 C HN 0.398 nan 8.230 nan 0.000 0.608 597 P HA -0.047 nan 4.420 nan 0.000 0.213 597 P C 0.428 177.741 177.300 0.021 0.000 1.170 597 P CA 1.618 64.730 63.100 0.020 0.000 0.889 597 P CB 0.109 31.831 31.700 0.037 0.000 0.782 598 S N -1.654 114.068 115.700 0.036 0.000 4.086 598 S HA 0.016 4.644 4.470 0.264 0.000 0.205 598 S C -2.602 172.019 174.600 0.035 0.000 1.039 598 S CA -0.533 57.682 58.200 0.025 0.000 0.817 598 S CB -1.923 61.281 63.200 0.007 0.000 0.670 598 S HN 0.112 nan 8.310 nan 0.000 0.737 599 P HA 0.240 nan 4.420 nan 0.000 0.258 599 P C 0.696 178.101 177.300 0.175 0.000 1.214 599 P CA -0.107 63.105 63.100 0.186 0.000 0.872 599 P CB 0.136 32.043 31.700 0.346 0.000 0.890 600 c N 2.797 121.500 118.600 0.173 0.000 2.611 600 c HA 0.192 4.920 4.570 0.264 0.000 0.282 600 c C 1.753 176.049 174.090 0.343 0.000 1.321 600 c CA 0.648 57.111 56.329 0.223 0.000 1.747 600 c CB -0.470 42.108 42.510 0.113 0.000 2.124 600 c HN 0.652 nan 8.230 nan 0.000 0.531 601 G N 0.010 108.948 108.800 0.231 0.000 2.630 601 G HA2 0.312 4.430 3.960 0.264 0.000 0.236 601 G HA3 0.312 4.430 3.960 0.264 0.000 0.236 601 G C 0.466 175.421 174.900 0.093 0.000 1.248 601 G CA 0.255 45.440 45.100 0.143 0.000 0.844 601 G HN 0.627 nan 8.290 nan 0.000 0.588 602 K N -0.336 120.056 120.400 -0.013 0.000 3.572 602 K HA -0.267 4.211 4.320 0.264 0.000 0.306 602 K C 0.870 177.300 176.600 -0.283 0.000 1.286 602 K CA 1.970 58.158 56.287 -0.166 0.000 1.010 602 K CB -1.115 31.220 32.500 -0.276 0.000 1.268 602 K HN 0.594 nan 8.250 nan 0.000 0.438 603 Y N -0.544 119.756 120.300 0.001 0.000 2.462 603 Y HA 0.191 4.899 4.550 0.264 0.000 0.253 603 Y C 2.051 177.915 175.900 -0.060 0.000 1.095 603 Y CA -0.193 57.880 58.100 -0.046 0.000 1.283 603 Y CB 0.398 38.819 38.460 -0.065 0.000 1.138 603 Y HN -0.011 nan 8.280 nan 0.000 0.522 604 I N -0.657 119.997 120.570 0.141 0.000 2.252 604 I HA -0.282 4.046 4.170 0.264 0.000 0.245 604 I C 2.522 178.670 176.117 0.053 0.000 1.102 604 I CA 1.440 62.797 61.300 0.096 0.000 1.385 604 I CB -1.250 36.824 38.000 0.122 0.000 1.064 604 I HN 0.164 nan 8.210 nan 0.000 0.414 605 S N -0.138 115.617 115.700 0.092 0.000 2.400 605 S HA -0.187 4.441 4.470 0.264 0.000 0.232 605 S C 2.124 176.691 174.600 -0.054 0.000 1.025 605 S CA 1.696 59.982 58.200 0.143 0.000 0.993 605 S CB -0.167 63.174 63.200 0.236 0.000 0.808 605 S HN 0.531 nan 8.310 nan 0.000 0.478 606 c N 0.842 119.409 118.600 -0.054 0.000 2.634 606 c HA 0.529 5.257 4.570 0.264 0.000 0.268 606 c C 2.889 176.916 174.090 -0.105 0.000 1.322 606 c CA -0.152 56.126 56.329 -0.084 0.000 1.737 606 c CB -1.136 41.347 42.510 -0.044 0.000 1.976 606 c HN 0.716 nan 8.230 nan 0.000 0.547 607 A N 1.821 124.556 122.820 -0.140 0.000 1.929 607 A HA -0.158 4.320 4.320 0.264 0.000 0.216 607 A C 2.025 179.537 177.584 -0.120 0.000 1.176 607 A CA 1.592 53.492 52.037 -0.228 0.000 0.628 607 A CB -0.500 18.211 19.000 -0.482 0.000 0.816 607 A HN 0.801 nan 8.150 nan 0.000 0.444 608 E N -1.542 118.594 120.200 -0.106 0.000 2.489 608 E HA 0.020 4.528 4.350 0.264 0.000 0.193 608 E C 1.247 177.798 176.600 -0.081 0.000 1.057 608 E CA 0.610 56.972 56.400 -0.063 0.000 0.866 608 E CB -0.398 29.239 29.700 -0.105 0.000 0.916 608 E HN 0.434 nan 8.360 nan 0.000 0.500 609 c N 0.124 118.649 118.600 -0.126 0.000 2.926 609 c HA 0.376 5.104 4.570 0.264 0.000 0.272 609 c C 1.582 175.627 174.090 -0.075 0.000 1.249 609 c CA -0.192 56.051 56.329 -0.144 0.000 1.691 609 c CB -0.811 41.584 42.510 -0.192 0.000 1.983 609 c HN 0.544 nan 8.230 nan 0.000 0.615 610 L N -0.033 121.163 121.223 -0.046 0.000 2.670 610 L HA 0.275 4.773 4.340 0.264 0.000 0.177 610 L C 2.337 179.194 176.870 -0.022 0.000 1.181 610 L CA 0.297 55.117 54.840 -0.034 0.000 0.856 610 L CB -0.960 41.077 42.059 -0.036 0.000 1.205 610 L HN -0.050 nan 8.230 nan 0.000 0.506 611 K N 1.028 121.428 120.400 0.001 0.000 1.967 611 K HA -0.029 4.450 4.320 0.264 0.000 0.212 611 K C 0.449 177.011 176.600 -0.065 0.000 1.044 611 K CA 1.392 57.661 56.287 -0.030 0.000 0.942 611 K CB -0.571 31.943 32.500 0.023 0.000 0.726 611 K HN -0.132 nan 8.250 nan 0.000 0.440 612 F N 1.585 121.487 119.950 -0.081 0.000 2.403 612 F HA 0.232 4.917 4.527 0.263 0.000 0.320 612 F C 0.783 176.537 175.800 -0.076 0.000 1.176 612 F CA -0.213 57.749 58.000 -0.063 0.000 1.206 612 F CB 0.538 39.509 39.000 -0.049 0.000 1.235 612 F HN 0.043 nan 8.300 nan 0.000 0.565 613 E N 1.398 121.663 120.200 0.109 0.000 3.170 613 E HA 0.077 4.585 4.350 0.264 0.000 0.212 613 E C -0.315 176.294 176.600 0.015 0.000 1.143 613 E CA -0.092 56.320 56.400 0.021 0.000 1.139 613 E CB 0.703 30.400 29.700 -0.006 0.000 1.346 613 E HN 0.492 nan 8.360 nan 0.000 0.432 614 K N 0.562 120.955 120.400 -0.011 0.000 2.965 614 K HA 0.249 4.727 4.320 0.264 0.000 0.216 614 K C 0.045 176.547 176.600 -0.164 0.000 1.164 614 K CA 0.013 56.288 56.287 -0.020 0.000 1.153 614 K CB 0.055 32.572 32.500 0.028 0.000 1.045 614 K HN 0.480 nan 8.250 nan 0.000 0.460 615 G N 3.107 111.792 108.800 -0.193 0.000 3.316 615 G HA2 -0.139 3.979 3.960 0.264 0.000 0.445 615 G HA3 -0.139 3.979 3.960 0.264 0.000 0.445 615 G C -2.704 171.824 174.900 -0.620 0.000 1.002 615 G CA -0.955 43.991 45.100 -0.258 0.000 0.818 615 G HN 0.217 nan 8.290 nan 0.000 0.404 616 P HA 0.116 nan 4.420 nan 0.000 0.259 616 P C 0.848 178.015 177.300 -0.221 0.000 1.211 616 P CA 0.268 63.167 63.100 -0.334 0.000 0.810 616 P CB 0.058 31.667 31.700 -0.152 0.000 0.815 617 F N 2.422 122.360 119.950 -0.021 0.000 2.012 617 F HA -0.034 4.651 4.527 0.264 0.000 0.289 617 F C 2.835 178.622 175.800 -0.021 0.000 1.185 617 F CA 1.017 59.004 58.000 -0.022 0.000 1.149 617 F CB -1.375 37.608 39.000 -0.029 0.000 0.994 617 F HN 0.273 nan 8.300 nan 0.000 0.481 618 G N -0.123 108.795 108.800 0.197 0.000 2.606 618 G HA2 -0.241 3.877 3.960 0.264 0.000 0.221 618 G HA3 -0.241 3.877 3.960 0.264 0.000 0.221 618 G C 1.059 175.993 174.900 0.056 0.000 1.152 618 G CA 1.894 47.049 45.100 0.091 0.000 0.765 618 G HN 0.346 nan 8.290 nan 0.000 0.595 619 K N -2.179 118.244 120.400 0.039 0.000 2.359 619 K HA 0.268 4.746 4.320 0.264 0.000 0.315 619 K C 0.134 176.735 176.600 0.002 0.000 1.027 619 K CA -0.546 55.752 56.287 0.019 0.000 0.806 619 K CB 0.100 32.605 32.500 0.009 0.000 3.499 619 K HN 0.112 nan 8.250 nan 0.000 1.216 620 N N -0.568 118.125 118.700 -0.012 0.000 2.867 620 N HA 0.480 5.378 4.740 0.264 0.000 0.326 620 N C -1.090 174.395 175.510 -0.042 0.000 1.355 620 N CA -0.536 52.496 53.050 -0.030 0.000 0.830 620 N CB 1.177 39.651 38.487 -0.022 0.000 1.152 620 N HN 0.408 nan 8.380 nan 0.000 0.569 621 c N -1.786 116.786 118.600 -0.046 0.000 3.235 621 c HA 0.564 5.293 4.570 0.264 0.000 0.351 621 c C 0.300 174.374 174.090 -0.026 0.000 1.520 621 c CA -0.151 56.152 56.329 -0.044 0.000 1.474 621 c CB 0.950 43.420 42.510 -0.067 0.000 2.019 621 c HN 0.836 nan 8.230 nan 0.000 0.446 622 S N -1.002 114.688 115.700 -0.017 0.000 3.261 622 S HA -0.226 4.402 4.470 0.264 0.000 0.287 622 S C 0.328 174.927 174.600 -0.001 0.000 1.281 622 S CA 1.356 59.553 58.200 -0.005 0.000 1.053 622 S CB -1.638 61.558 63.200 -0.007 0.000 1.251 622 S HN 1.299 nan 8.310 nan 0.000 0.659 623 A N -0.360 122.458 122.820 -0.004 0.000 1.780 623 A HA 0.787 5.265 4.320 0.264 0.000 0.208 623 A C 1.384 178.967 177.584 -0.001 0.000 1.761 623 A CA 0.781 52.818 52.037 -0.001 0.000 1.183 623 A CB -0.409 18.589 19.000 -0.004 0.000 1.162 623 A HN 1.237 nan 8.150 nan 0.000 0.472 624 A N -0.996 121.820 122.820 -0.008 0.000 2.415 624 A HA 0.451 4.929 4.320 0.264 0.000 0.248 624 A C 0.282 177.857 177.584 -0.014 0.000 1.299 624 A CA 0.545 52.575 52.037 -0.011 0.000 0.899 624 A CB -0.939 18.052 19.000 -0.014 0.000 0.997 624 A HN 0.666 nan 8.150 nan 0.000 0.506 625 c N 0.234 118.834 118.600 -0.000 0.000 3.421 625 c HA 0.276 5.004 4.570 0.264 0.000 0.194 625 c C -1.917 172.200 174.090 0.044 0.000 1.418 625 c CA -0.805 55.533 56.329 0.015 0.000 1.226 625 c CB 0.397 42.904 42.510 -0.005 0.000 1.875 625 c HN 0.457 nan 8.230 nan 0.000 0.561 626 P HA 0.033 nan 4.420 nan 0.000 0.251 626 P C 1.016 178.387 177.300 0.118 0.000 1.251 626 P CA 0.840 63.984 63.100 0.074 0.000 0.763 626 P CB -0.098 31.644 31.700 0.070 0.000 1.067 627 G N 0.874 109.764 108.800 0.150 0.000 3.197 627 G HA2 0.041 4.159 3.960 0.264 0.000 0.257 627 G HA3 0.041 4.159 3.960 0.264 0.000 0.257 627 G C 0.935 175.903 174.900 0.113 0.000 0.835 627 G CA -0.327 44.888 45.100 0.191 0.000 2.001 627 G HN 0.131 nan 8.290 nan 0.000 0.625 628 L N 0.007 121.281 121.223 0.085 0.000 2.129 628 L HA -0.027 4.471 4.340 0.264 0.000 0.212 628 L C 1.632 178.531 176.870 0.048 0.000 1.087 628 L CA 1.484 56.355 54.840 0.053 0.000 0.757 628 L CB -0.261 41.823 42.059 0.041 0.000 0.896 628 L HN 0.425 nan 8.230 nan 0.000 0.434 629 Q N -0.618 119.219 119.800 0.062 0.000 2.235 629 Q HA 0.390 4.888 4.340 0.264 0.000 0.250 629 Q C -0.821 175.217 176.000 0.064 0.000 0.909 629 Q CA -0.272 55.566 55.803 0.058 0.000 0.910 629 Q CB 1.802 30.576 28.738 0.059 0.000 1.223 629 Q HN 0.132 nan 8.270 nan 0.000 0.432 630 L N 2.117 123.375 121.223 0.058 0.000 2.669 630 L HA 0.163 4.661 4.340 0.264 0.000 0.273 630 L C -0.561 176.365 176.870 0.093 0.000 1.441 630 L CA -0.079 54.800 54.840 0.065 0.000 0.745 630 L CB 0.905 42.982 42.059 0.030 0.000 1.044 630 L HN 0.666 nan 8.230 nan 0.000 0.523 631 S N -0.357 115.408 115.700 0.107 0.000 2.571 631 S HA -0.012 4.616 4.470 0.264 0.000 0.298 631 S C 0.584 175.291 174.600 0.179 0.000 1.280 631 S CA 0.043 58.310 58.200 0.112 0.000 1.052 631 S CB 0.186 63.440 63.200 0.091 0.000 0.799 631 S HN 0.536 nan 8.310 nan 0.000 0.501 632 N N 3.450 122.234 118.700 0.140 0.000 3.091 632 N HA 0.256 5.154 4.740 0.264 0.000 0.301 632 N C -0.794 174.773 175.510 0.095 0.000 1.325 632 N CA -0.050 53.110 53.050 0.183 0.000 1.143 632 N CB -0.696 37.859 38.487 0.112 0.000 1.450 632 N HN 0.507 nan 8.380 nan 0.000 0.542 633 N N -0.332 118.383 118.700 0.024 0.000 2.494 633 N HA 0.334 5.232 4.740 0.264 0.000 0.270 633 N C -2.756 172.541 175.510 -0.354 0.000 1.285 633 N CA -1.284 51.679 53.050 -0.144 0.000 0.812 633 N CB 1.967 40.422 38.487 -0.053 0.000 1.557 633 N HN -0.156 nan 8.380 nan 0.000 0.487 634 P HA 0.039 nan 4.420 nan 0.000 0.231 634 P C 0.209 177.424 177.300 -0.141 0.000 1.756 634 P CA -0.160 62.741 63.100 -0.333 0.000 0.990 634 P CB -0.293 31.274 31.700 -0.220 0.000 1.973 635 V N -1.239 118.629 119.914 -0.078 0.000 3.237 635 V HA 0.353 4.631 4.120 0.264 0.000 0.305 635 V C 0.405 176.518 176.094 0.030 0.000 1.096 635 V CA -0.054 62.250 62.300 0.006 0.000 1.130 635 V CB 0.707 32.565 31.823 0.058 0.000 1.048 635 V HN 0.177 nan 8.190 nan 0.000 0.484 636 K N 0.456 120.879 120.400 0.039 0.000 2.499 636 K HA 0.735 5.214 4.320 0.264 0.000 0.284 636 K C 0.395 177.022 176.600 0.046 0.000 1.039 636 K CA -0.436 55.876 56.287 0.043 0.000 0.873 636 K CB 1.647 34.159 32.500 0.020 0.000 1.545 636 K HN 1.100 nan 8.250 nan 0.000 0.402 637 G N 0.307 109.129 108.800 0.037 0.000 3.151 637 G HA2 -0.144 3.974 3.960 0.264 0.000 0.197 637 G HA3 -0.144 3.974 3.960 0.264 0.000 0.197 637 G C -0.499 174.420 174.900 0.032 0.000 1.682 637 G CA -0.585 44.536 45.100 0.034 0.000 1.205 637 G HN 0.267 nan 8.290 nan 0.000 0.510 638 R N 2.216 122.743 120.500 0.044 0.000 4.017 638 R HA 0.349 4.848 4.340 0.264 0.000 0.272 638 R C 0.299 176.606 176.300 0.011 0.000 1.516 638 R CA 0.294 56.412 56.100 0.029 0.000 1.519 638 R CB 0.006 30.332 30.300 0.045 0.000 1.422 638 R HN 0.384 nan 8.270 nan 0.000 0.719 639 T N 0.857 115.412 114.554 0.002 0.000 2.640 639 T HA -0.072 4.436 4.350 0.264 0.000 0.252 639 T C 0.356 175.012 174.700 -0.072 0.000 1.038 639 T CA 0.295 62.383 62.100 -0.019 0.000 1.307 639 T CB -0.721 68.137 68.868 -0.016 0.000 1.014 639 T HN 0.430 nan 8.240 nan 0.000 0.523 640 c N 5.480 123.994 118.600 -0.143 0.000 2.358 640 c HA 0.819 5.547 4.570 0.264 0.000 0.354 640 c C -0.176 173.653 174.090 -0.435 0.000 1.183 640 c CA -0.771 55.386 56.329 -0.286 0.000 2.150 640 c CB 0.830 43.123 42.510 -0.362 0.000 2.361 640 c HN 1.047 nan 8.230 nan 0.000 0.535 641 K N 3.650 123.830 120.400 -0.366 0.000 2.805 641 K HA 0.280 4.758 4.320 0.264 0.000 0.276 641 K C -0.815 175.736 176.600 -0.081 0.000 1.209 641 K CA -0.120 56.012 56.287 -0.259 0.000 1.065 641 K CB 0.308 32.737 32.500 -0.118 0.000 1.363 641 K HN 0.812 nan 8.250 nan 0.000 0.546 642 E N 1.545 121.697 120.200 -0.079 0.000 2.518 642 E HA 0.489 4.998 4.350 0.264 0.000 0.241 642 E C -0.117 176.548 176.600 0.108 0.000 0.899 642 E CA -0.782 55.666 56.400 0.081 0.000 0.888 642 E CB 1.020 30.761 29.700 0.069 0.000 1.426 642 E HN 0.443 nan 8.360 nan 0.000 0.401 643 R N 0.561 121.054 120.500 -0.011 0.000 2.606 643 R HA 0.247 4.746 4.340 0.264 0.000 0.249 643 R C 0.245 176.496 176.300 -0.081 0.000 1.127 643 R CA -0.589 55.404 56.100 -0.177 0.000 1.133 643 R CB 0.347 30.397 30.300 -0.416 0.000 1.243 643 R HN 0.571 nan 8.270 nan 0.000 0.558 644 D N -0.968 119.350 120.400 -0.137 0.000 2.541 644 D HA 0.007 4.805 4.640 0.264 0.000 0.276 644 D C 0.813 177.079 176.300 -0.057 0.000 1.190 644 D CA -0.341 53.609 54.000 -0.082 0.000 1.095 644 D CB -0.213 40.506 40.800 -0.136 0.000 1.173 644 D HN 0.402 nan 8.370 nan 0.000 0.604 645 S N -1.686 114.018 115.700 0.008 0.000 2.436 645 S HA -0.033 4.595 4.470 0.264 0.000 0.228 645 S C 0.430 174.981 174.600 -0.082 0.000 1.014 645 S CA 0.396 58.594 58.200 -0.003 0.000 0.950 645 S CB -0.419 62.891 63.200 0.184 0.000 0.784 645 S HN 0.563 nan 8.310 nan 0.000 0.504 646 E N 0.256 120.408 120.200 -0.080 0.000 3.074 646 E HA 0.459 4.967 4.350 0.264 0.000 0.287 646 E C 0.394 176.917 176.600 -0.130 0.000 1.194 646 E CA -0.127 56.215 56.400 -0.098 0.000 0.836 646 E CB 0.848 30.513 29.700 -0.058 0.000 1.468 646 E HN 0.359 nan 8.360 nan 0.000 0.383 647 G N 1.135 109.814 108.800 -0.202 0.000 4.365 647 G HA2 -0.332 3.786 3.960 0.264 0.000 0.214 647 G HA3 -0.332 3.786 3.960 0.264 0.000 0.214 647 G C 0.589 175.247 174.900 -0.403 0.000 1.450 647 G CA -0.173 44.759 45.100 -0.281 0.000 0.937 647 G HN 0.539 nan 8.290 nan 0.000 0.625 648 c N 2.598 121.061 118.600 -0.228 0.000 2.596 648 c HA 0.277 5.006 4.570 0.264 0.000 0.414 648 c C 0.955 174.948 174.090 -0.161 0.000 1.396 648 c CA -0.313 55.936 56.329 -0.133 0.000 1.698 648 c CB -0.909 41.568 42.510 -0.055 0.000 2.572 648 c HN 0.325 nan 8.230 nan 0.000 0.604 649 W N 4.405 125.685 121.300 -0.033 0.000 2.585 649 W HA 0.329 5.147 4.660 0.264 0.000 0.337 649 W C -0.462 176.035 176.519 -0.037 0.000 1.226 649 W CA -0.106 57.221 57.345 -0.031 0.000 1.463 649 W CB 0.270 29.716 29.460 -0.024 0.000 1.458 649 W HN 0.399 nan 8.180 nan 0.000 0.458 650 V N 4.598 124.580 119.914 0.115 0.000 2.408 650 V HA 0.329 4.607 4.120 0.264 0.000 0.267 650 V C 0.707 176.901 176.094 0.167 0.000 1.047 650 V CA -0.637 61.716 62.300 0.088 0.000 0.937 650 V CB 0.388 32.207 31.823 -0.006 0.000 0.999 650 V HN 0.495 nan 8.190 nan 0.000 0.472 651 A N 5.971 128.878 122.820 0.145 0.000 2.293 651 A HA 0.921 5.399 4.320 0.264 0.000 0.302 651 A C -0.726 176.975 177.584 0.195 0.000 1.119 651 A CA -0.371 51.702 52.037 0.059 0.000 0.823 651 A CB 0.611 19.651 19.000 0.068 0.000 1.097 651 A HN 1.381 nan 8.150 nan 0.000 0.491 652 Y N -1.394 118.947 120.300 0.068 0.000 2.365 652 Y HA 0.461 5.169 4.550 0.263 0.000 0.324 652 Y C -0.074 175.871 175.900 0.074 0.000 1.330 652 Y CA -0.588 57.556 58.100 0.074 0.000 1.271 652 Y CB -0.213 38.269 38.460 0.036 0.000 1.306 652 Y HN 0.902 nan 8.280 nan 0.000 0.451 653 T N 0.675 115.388 114.554 0.265 0.000 2.729 653 T HA 0.634 5.142 4.350 0.264 0.000 0.298 653 T C -0.878 173.966 174.700 0.240 0.000 1.013 653 T CA -0.416 61.793 62.100 0.181 0.000 0.957 653 T CB 1.538 70.499 68.868 0.156 0.000 1.130 653 T HN 1.106 nan 8.240 nan 0.000 0.526 654 L N 0.742 122.060 121.223 0.158 0.000 2.588 654 L HA 0.386 4.884 4.340 0.264 0.000 0.256 654 L C -0.623 176.342 176.870 0.159 0.000 1.083 654 L CA -0.254 54.674 54.840 0.147 0.000 0.909 654 L CB 1.092 43.194 42.059 0.071 0.000 1.121 654 L HN 0.969 nan 8.230 nan 0.000 0.470 655 E N 3.403 123.701 120.200 0.164 0.000 1.963 655 E HA 0.188 4.697 4.350 0.264 0.000 0.274 655 E C -0.270 176.424 176.600 0.158 0.000 1.061 655 E CA -0.255 56.227 56.400 0.137 0.000 0.847 655 E CB 0.696 30.452 29.700 0.094 0.000 1.083 655 E HN 0.680 nan 8.360 nan 0.000 0.402 656 Q N 3.158 123.056 119.800 0.162 0.000 2.492 656 Q HA 0.008 4.506 4.340 0.264 0.000 0.238 656 Q C -0.804 175.152 176.000 -0.074 0.000 1.045 656 Q CA 0.212 55.990 55.803 -0.043 0.000 0.934 656 Q CB 0.733 29.403 28.738 -0.113 0.000 1.276 656 Q HN 0.447 nan 8.270 nan 0.000 0.521 657 Q N 2.179 121.879 119.800 -0.166 0.000 2.280 657 Q HA 0.211 4.709 4.340 0.264 0.000 0.259 657 Q C -1.064 174.863 176.000 -0.121 0.000 0.964 657 Q CA -0.255 55.492 55.803 -0.094 0.000 0.844 657 Q CB 1.733 30.442 28.738 -0.049 0.000 1.334 657 Q HN 0.869 nan 8.270 nan 0.000 0.423 658 D N 0.966 121.309 120.400 -0.094 0.000 4.230 658 D HA -0.220 4.578 4.640 0.264 0.000 0.138 658 D C 0.408 176.620 176.300 -0.147 0.000 0.772 658 D CA 2.058 55.996 54.000 -0.103 0.000 1.136 658 D CB -0.988 39.765 40.800 -0.077 0.000 0.547 658 D HN 0.709 nan 8.370 nan 0.000 0.537 659 G N -0.363 108.358 108.800 -0.131 0.000 2.338 659 G HA2 0.519 4.637 3.960 0.264 0.000 0.298 659 G HA3 0.519 4.637 3.960 0.264 0.000 0.298 659 G C 0.858 175.679 174.900 -0.132 0.000 1.140 659 G CA 0.444 45.463 45.100 -0.135 0.000 0.860 659 G HN 0.413 nan 8.290 nan 0.000 0.470 660 M N 0.970 120.492 119.600 -0.130 0.000 7.319 660 M HA -0.208 4.430 4.480 0.264 0.000 0.191 660 M C 0.046 176.316 176.300 -0.050 0.000 0.480 660 M CA 1.463 56.722 55.300 -0.068 0.000 1.311 660 M CB -1.249 31.325 32.600 -0.043 0.000 0.421 660 M HN 0.527 nan 8.290 nan 0.000 0.563 661 D N 2.501 122.922 120.400 0.035 0.000 3.134 661 D HA 0.228 5.026 4.640 0.264 0.000 0.248 661 D C -0.012 176.348 176.300 0.100 0.000 1.273 661 D CA 0.206 54.310 54.000 0.173 0.000 0.904 661 D CB -0.076 40.900 40.800 0.292 0.000 1.089 661 D HN 0.151 nan 8.370 nan 0.000 0.478 662 R N 1.007 121.391 120.500 -0.194 0.000 2.346 662 R HA 0.520 5.018 4.340 0.264 0.000 0.311 662 R C -0.505 175.555 176.300 -0.400 0.000 0.983 662 R CA -0.462 55.550 56.100 -0.147 0.000 0.880 662 R CB 1.088 31.317 30.300 -0.119 0.000 1.100 662 R HN 0.116 nan 8.270 nan 0.000 0.453 663 Y N 0.700 121.027 120.300 0.045 0.000 2.715 663 Y HA 0.557 5.265 4.550 0.263 0.000 0.331 663 Y C -0.709 175.211 175.900 0.034 0.000 1.197 663 Y CA -1.158 56.963 58.100 0.035 0.000 1.079 663 Y CB 1.665 40.140 38.460 0.025 0.000 1.298 663 Y HN 0.385 nan 8.280 nan 0.000 0.477 664 L N 2.070 123.436 121.223 0.239 0.000 2.596 664 L HA 0.678 5.176 4.340 0.264 0.000 0.265 664 L C -2.225 174.735 176.870 0.150 0.000 0.962 664 L CA -0.179 54.750 54.840 0.148 0.000 0.891 664 L CB 0.803 42.925 42.059 0.105 0.000 1.248 664 L HN 0.449 nan 8.230 nan 0.000 0.410 665 I N 4.307 124.953 120.570 0.128 0.000 2.693 665 I HA 0.506 4.834 4.170 0.264 0.000 0.303 665 I C -1.262 174.967 176.117 0.186 0.000 1.025 665 I CA -0.612 60.767 61.300 0.132 0.000 1.086 665 I CB 1.962 39.983 38.000 0.034 0.000 1.268 665 I HN 0.580 nan 8.210 nan 0.000 0.440 666 Y N 4.520 124.873 120.300 0.089 0.000 2.402 666 Y HA 0.637 5.346 4.550 0.264 0.000 0.325 666 Y C -1.220 174.764 175.900 0.139 0.000 1.009 666 Y CA -0.977 57.177 58.100 0.090 0.000 1.278 666 Y CB 1.120 39.627 38.460 0.079 0.000 1.105 666 Y HN 0.311 nan 8.280 nan 0.000 0.476 667 V N 5.802 125.540 119.914 -0.294 0.000 2.415 667 V HA 0.029 4.307 4.120 0.264 0.000 0.267 667 V C 0.318 176.211 176.094 -0.334 0.000 1.042 667 V CA -0.327 61.891 62.300 -0.136 0.000 1.000 667 V CB 0.281 32.106 31.823 0.002 0.000 1.015 667 V HN 0.757 nan 8.190 nan 0.000 0.478 668 D N 4.745 125.076 120.400 -0.116 0.000 2.629 668 D HA -0.108 4.690 4.640 0.264 0.000 0.228 668 D C 0.933 177.272 176.300 0.065 0.000 1.127 668 D CA 0.163 54.149 54.000 -0.023 0.000 0.855 668 D CB 0.729 41.624 40.800 0.158 0.000 1.180 668 D HN 0.811 nan 8.370 nan 0.000 0.484 669 E N 1.595 121.808 120.200 0.020 0.000 1.972 669 E HA 0.249 4.757 4.350 0.264 0.000 0.292 669 E C -0.498 176.190 176.600 0.146 0.000 1.193 669 E CA -0.579 55.837 56.400 0.026 0.000 1.228 669 E CB -0.178 29.506 29.700 -0.027 0.000 1.167 669 E HN 0.168 nan 8.360 nan 0.000 0.479 670 S N 1.899 117.783 115.700 0.306 0.000 2.611 670 S HA 0.536 5.164 4.470 0.264 0.000 0.270 670 S C -1.424 173.334 174.600 0.263 0.000 1.131 670 S CA -0.851 57.498 58.200 0.247 0.000 0.826 670 S CB 1.437 64.734 63.200 0.161 0.000 1.095 670 S HN 0.498 nan 8.310 nan 0.000 0.461 671 R N 0.385 120.993 120.500 0.179 0.000 2.781 671 R HA 0.593 5.091 4.340 0.264 0.000 0.268 671 R C -1.544 174.840 176.300 0.140 0.000 1.047 671 R CA -0.916 55.255 56.100 0.119 0.000 0.925 671 R CB 1.724 32.066 30.300 0.069 0.000 1.246 671 R HN 0.698 nan 8.270 nan 0.000 0.456 672 E N 0.592 120.895 120.200 0.172 0.000 2.738 672 E HA 0.237 4.745 4.350 0.264 0.000 0.347 672 E C -1.252 175.507 176.600 0.266 0.000 1.077 672 E CA -0.345 56.197 56.400 0.236 0.000 0.755 672 E CB 1.225 31.116 29.700 0.319 0.000 1.576 672 E HN 0.350 nan 8.360 nan 0.000 0.379 673 c N 0.000 118.691 118.600 0.151 0.000 2.653 673 c HA 0.000 4.728 4.570 0.264 0.000 0.325 673 c CA 0.000 56.389 56.329 0.099 0.000 1.963 673 c CB 0.000 42.538 42.510 0.046 0.000 2.134 673 c HN 0.000 nan 8.230 nan 0.000 0.568