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_D 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 0.000 176.004 176.000 0.007 0.000 1.003 1 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 1 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 2 E N 0.178 120.381 120.200 0.005 0.000 2.481 2 E HA 0.533 4.883 4.350 -0.000 0.000 0.301 2 E C -1.637 174.962 176.600 -0.002 0.000 0.948 2 E CA -0.675 55.726 56.400 0.001 0.000 0.804 2 E CB 1.708 31.405 29.700 -0.005 0.000 1.265 2 E HN 0.286 nan 8.360 nan 0.000 0.406 3 c N 3.035 121.636 118.600 0.001 0.000 3.096 3 c HA 0.354 4.923 4.570 -0.000 0.000 0.391 3 c C -0.972 173.126 174.090 0.014 0.000 1.085 3 c CA 0.011 56.341 56.329 0.002 0.000 1.289 3 c CB 0.305 42.826 42.510 0.019 0.000 1.685 3 c HN 0.793 nan 8.230 nan 0.000 0.515 4 T N 5.058 119.608 114.554 -0.007 0.000 2.799 4 T HA 0.342 4.692 4.350 -0.000 0.000 0.286 4 T C -0.185 174.542 174.700 0.045 0.000 0.973 4 T CA -0.311 61.803 62.100 0.023 0.000 1.035 4 T CB 1.059 69.929 68.868 0.004 0.000 0.932 4 T HN 0.650 nan 8.240 nan 0.000 0.469 5 K N 2.591 123.054 120.400 0.106 0.000 2.349 5 K HA 0.287 4.607 4.320 -0.000 0.000 0.289 5 K C -0.344 176.353 176.600 0.161 0.000 1.064 5 K CA -0.355 56.011 56.287 0.132 0.000 0.947 5 K CB 0.448 33.030 32.500 0.137 0.000 1.007 5 K HN 0.467 nan 8.250 nan 0.000 0.478 6 F N 2.376 122.298 119.950 -0.047 0.000 2.348 6 F HA 0.161 4.688 4.527 -0.000 0.000 0.308 6 F C 0.684 176.424 175.800 -0.100 0.000 1.175 6 F CA -0.798 57.101 58.000 -0.168 0.000 1.080 6 F CB 0.637 39.550 39.000 -0.146 0.000 1.341 6 F HN 0.290 nan 8.300 nan 0.000 0.518 7 K N 2.066 121.778 120.400 -1.147 0.000 2.366 7 K HA 0.141 4.461 4.320 -0.000 0.000 0.272 7 K C -1.435 175.130 176.600 -0.058 0.000 1.151 7 K CA 0.034 56.008 56.287 -0.522 0.000 1.173 7 K CB -0.392 31.718 32.500 -0.651 0.000 0.853 7 K HN 0.432 nan 8.250 nan 0.000 0.473 8 V N 4.573 124.497 119.914 0.017 0.000 2.304 8 V HA 0.040 4.160 4.120 -0.000 0.000 0.269 8 V C 0.816 176.956 176.094 0.075 0.000 1.036 8 V CA -0.135 62.221 62.300 0.095 0.000 0.840 8 V CB 0.881 32.815 31.823 0.184 0.000 1.036 8 V HN 0.883 nan 8.190 nan 0.000 0.466 9 S N 3.319 119.036 115.700 0.029 0.000 2.514 9 S HA 0.168 4.638 4.470 -0.000 0.000 0.223 9 S C 0.915 175.493 174.600 -0.036 0.000 1.046 9 S CA 0.600 58.809 58.200 0.013 0.000 0.914 9 S CB 0.326 63.532 63.200 0.009 0.000 0.807 9 S HN 0.871 nan 8.310 nan 0.000 0.497 10 S N -0.366 115.242 115.700 -0.154 0.000 2.840 10 S HA 0.318 4.788 4.470 -0.000 0.000 0.307 10 S C 1.279 175.333 174.600 -0.909 0.000 1.180 10 S CA -0.124 57.858 58.200 -0.365 0.000 0.846 10 S CB 0.467 63.534 63.200 -0.221 0.000 1.233 10 S HN 0.596 nan 8.310 nan 0.000 0.548 11 c N 0.093 117.949 118.600 -1.240 0.000 2.446 11 c HA 0.228 4.798 4.570 -0.000 0.000 0.279 11 c C 2.583 176.255 174.090 -0.696 0.000 1.366 11 c CA 0.990 56.290 56.329 -1.715 0.000 1.763 11 c CB -1.633 39.993 42.510 -1.474 0.000 1.929 11 c HN 0.970 nan 8.230 nan 0.000 0.509 12 R N 1.298 121.548 120.500 -0.417 0.000 2.073 12 R HA -0.048 4.292 4.340 -0.000 0.000 0.229 12 R C 2.244 178.459 176.300 -0.142 0.000 1.120 12 R CA 1.616 57.591 56.100 -0.209 0.000 0.967 12 R CB -0.360 29.860 30.300 -0.133 0.000 0.862 12 R HN 0.644 nan 8.270 nan 0.000 0.436 13 E N -0.289 119.831 120.200 -0.133 0.000 2.409 13 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 13 E C 1.844 178.459 176.600 0.025 0.000 1.024 13 E CA 0.694 57.085 56.400 -0.015 0.000 0.861 13 E CB -0.025 29.696 29.700 0.034 0.000 0.788 13 E HN 0.407 nan 8.360 nan 0.000 0.521 14 c N 0.457 119.035 118.600 -0.037 0.000 2.485 14 c HA 0.027 4.597 4.570 -0.000 0.000 0.278 14 c C 2.282 176.400 174.090 0.047 0.000 1.356 14 c CA -0.097 56.282 56.329 0.084 0.000 1.747 14 c CB -0.533 42.133 42.510 0.261 0.000 2.001 14 c HN 0.284 nan 8.230 nan 0.000 0.501 15 I N 1.349 121.908 120.570 -0.018 0.000 2.315 15 I HA -0.059 4.111 4.170 -0.000 0.000 0.248 15 I C 2.183 178.277 176.117 -0.037 0.000 1.117 15 I CA 1.434 62.722 61.300 -0.021 0.000 1.404 15 I CB -1.528 36.445 38.000 -0.045 0.000 1.071 15 I HN 0.485 nan 8.210 nan 0.000 0.419 16 E N 0.279 120.448 120.200 -0.052 0.000 2.485 16 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 16 E C 1.715 178.236 176.600 -0.132 0.000 1.098 16 E CA 0.061 56.404 56.400 -0.095 0.000 0.878 16 E CB 0.099 29.733 29.700 -0.110 0.000 0.939 16 E HN 0.331 nan 8.360 nan 0.000 0.503 17 S N -0.298 115.358 115.700 -0.074 0.000 2.441 17 S HA 0.211 4.681 4.470 -0.000 0.000 0.224 17 S C 0.727 175.244 174.600 -0.138 0.000 1.043 17 S CA 0.445 58.592 58.200 -0.089 0.000 0.948 17 S CB 0.942 64.147 63.200 0.008 0.000 0.810 17 S HN 0.414 nan 8.310 nan 0.000 0.504 18 G N 0.485 109.232 108.800 -0.089 0.000 2.316 18 G HA2 0.344 4.304 3.960 -0.000 0.000 0.296 18 G HA3 0.344 4.304 3.960 -0.000 0.000 0.296 18 G C -2.917 171.957 174.900 -0.044 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 0.035 nan 4.420 nan 0.000 0.215 19 P C 1.796 179.093 177.300 -0.005 0.000 1.157 19 P CA 1.843 64.934 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 -1.573 107.223 108.800 -0.007 0.000 3.279 20 G HA2 0.040 4.000 3.960 -0.000 0.000 0.230 20 G HA3 0.040 4.000 3.960 -0.000 0.000 0.230 20 G C -0.195 174.711 174.900 0.010 0.000 1.230 20 G CA -0.118 44.983 45.100 0.002 0.000 0.891 20 G HN 0.272 nan 8.290 nan 0.000 0.518 21 c N 1.493 120.102 118.600 0.015 0.000 2.273 21 c HA 0.708 5.278 4.570 -0.000 0.000 0.328 21 c C 0.764 174.889 174.090 0.059 0.000 1.275 21 c CA -0.680 55.671 56.329 0.037 0.000 1.704 21 c CB 0.111 42.644 42.510 0.037 0.000 2.326 21 c HN 0.516 nan 8.230 nan 0.000 0.517 22 T N 0.680 115.277 114.554 0.071 0.000 2.942 22 T HA 0.690 5.040 4.350 -0.000 0.000 0.289 22 T C -0.926 173.869 174.700 0.159 0.000 1.044 22 T CA -0.622 61.532 62.100 0.090 0.000 1.023 22 T CB 1.919 70.808 68.868 0.036 0.000 1.123 22 T HN 0.823 nan 8.240 nan 0.000 0.512 23 W N 0.858 122.123 121.300 -0.057 0.000 2.915 23 W HA 0.600 5.260 4.660 -0.000 0.000 0.337 23 W C -1.590 174.857 176.519 -0.120 0.000 1.102 23 W CA -1.421 55.877 57.345 -0.078 0.000 1.224 23 W CB 2.007 31.436 29.460 -0.052 0.000 1.416 23 W HN 0.964 nan 8.180 nan 0.000 0.503 24 c N 6.269 124.312 118.600 -0.929 0.000 2.351 24 c HA 0.286 4.856 4.570 -0.000 0.000 0.326 24 c C 1.226 174.888 174.090 -0.713 0.000 1.272 24 c CA -0.184 55.705 56.329 -0.733 0.000 1.650 24 c CB 0.820 42.773 42.510 -0.929 0.000 2.257 24 c HN 0.797 nan 8.230 nan 0.000 0.505 25 Q N 3.235 122.890 119.800 -0.241 0.000 2.396 25 Q HA 0.106 4.446 4.340 -0.000 0.000 0.209 25 Q C 0.588 176.547 176.000 -0.068 0.000 0.906 25 Q CA 0.023 55.813 55.803 -0.021 0.000 0.927 25 Q CB 0.067 28.866 28.738 0.102 0.000 1.069 25 Q HN 0.715 nan 8.270 nan 0.000 0.523 26 K N 1.988 122.306 120.400 -0.137 0.000 2.437 26 K HA 0.038 4.358 4.320 -0.000 0.000 0.277 26 K C -0.381 176.216 176.600 -0.004 0.000 1.073 26 K CA -0.130 56.121 56.287 -0.059 0.000 1.105 26 K CB 0.318 32.786 32.500 -0.054 0.000 0.881 26 K HN 0.187 nan 8.250 nan 0.000 0.475 27 L N 3.754 124.993 121.223 0.027 0.000 2.456 27 L HA -0.075 4.265 4.340 -0.000 0.000 0.246 27 L C 0.890 177.805 176.870 0.075 0.000 1.238 27 L CA -0.021 54.846 54.840 0.045 0.000 0.826 27 L CB 0.079 42.155 42.059 0.028 0.000 1.150 27 L HN 0.924 nan 8.230 nan 0.000 0.514 28 N N -0.457 118.276 118.700 0.055 0.000 2.681 28 N HA -0.309 4.431 4.740 -0.000 0.000 0.250 28 N C 0.284 175.829 175.510 0.058 0.000 1.133 28 N CA 1.251 54.324 53.050 0.039 0.000 0.732 28 N CB -1.436 37.064 38.487 0.022 0.000 1.107 28 N HN 0.560 nan 8.380 nan 0.000 0.559 29 F N 0.569 120.482 119.950 -0.062 0.000 2.569 29 F HA 0.124 4.651 4.527 -0.000 0.000 0.295 29 F C 0.783 176.537 175.800 -0.076 0.000 1.115 29 F CA 0.626 58.580 58.000 -0.078 0.000 1.450 29 F CB 0.425 39.356 39.000 -0.114 0.000 1.107 29 F HN -0.147 nan 8.300 nan 0.000 0.563 30 T N 1.725 116.300 114.554 0.034 0.000 2.779 30 T HA 0.394 4.744 4.350 -0.000 0.000 0.296 30 T C 0.730 175.377 174.700 -0.087 0.000 0.938 30 T CA 0.015 62.096 62.100 -0.032 0.000 1.119 30 T CB 0.631 69.506 68.868 0.013 0.000 0.891 30 T HN 0.331 nan 8.240 nan 0.000 0.526 31 G N 4.002 112.727 108.800 -0.126 0.000 2.712 31 G HA2 0.207 4.167 3.960 -0.000 0.000 0.258 31 G HA3 0.207 4.167 3.960 -0.000 0.000 0.258 31 G C -1.226 173.637 174.900 -0.060 0.000 1.241 31 G CA -1.237 43.800 45.100 -0.105 0.000 0.923 31 G HN 0.402 nan 8.290 nan 0.000 0.548 32 P HA -0.081 nan 4.420 nan 0.000 0.217 32 P C 1.009 178.295 177.300 -0.023 0.000 1.158 32 P CA 2.185 65.267 63.100 -0.030 0.000 0.887 32 P CB 0.138 31.823 31.700 -0.026 0.000 0.792 33 G N -1.288 107.497 108.800 -0.026 0.000 4.632 33 G HA2 0.170 4.130 3.960 -0.000 0.000 0.244 33 G HA3 0.170 4.130 3.960 -0.000 0.000 0.244 33 G C -1.176 173.708 174.900 -0.027 0.000 1.070 33 G CA -0.211 44.877 45.100 -0.020 0.000 0.791 33 G HN -0.039 nan 8.290 nan 0.000 0.544 34 D N 1.203 121.582 120.400 -0.035 0.000 2.217 34 D HA 0.481 5.121 4.640 -0.000 0.000 0.248 34 D C -2.206 174.073 176.300 -0.035 0.000 1.008 34 D CA -1.393 52.583 54.000 -0.039 0.000 0.914 34 D CB 2.082 42.848 40.800 -0.057 0.000 1.182 34 D HN 0.035 nan 8.370 nan 0.000 0.451 35 P HA 0.095 nan 4.420 nan 0.000 0.270 35 P C 0.249 177.547 177.300 -0.003 0.000 1.223 35 P CA -0.158 62.917 63.100 -0.042 0.000 0.785 35 P CB 0.751 32.410 31.700 -0.068 0.000 0.923 36 D N -0.364 120.045 120.400 0.016 0.000 2.323 36 D HA -0.080 4.560 4.640 -0.000 0.000 0.209 36 D C 1.533 177.873 176.300 0.066 0.000 0.973 36 D CA 0.965 54.995 54.000 0.050 0.000 0.874 36 D CB -0.210 40.642 40.800 0.086 0.000 0.930 36 D HN 0.366 nan 8.370 nan 0.000 0.521 37 S N 0.576 116.315 115.700 0.065 0.000 2.555 37 S HA -0.070 4.400 4.470 -0.000 0.000 0.230 37 S C 2.108 176.738 174.600 0.050 0.000 0.978 37 S CA -0.010 58.247 58.200 0.094 0.000 0.934 37 S CB -0.748 62.496 63.200 0.075 0.000 0.766 37 S HN 0.500 nan 8.310 nan 0.000 0.533 38 I N -0.885 119.699 120.570 0.023 0.000 2.676 38 I HA 0.048 4.218 4.170 -0.000 0.000 0.259 38 I C 2.227 178.339 176.117 -0.008 0.000 1.194 38 I CA 0.519 61.845 61.300 0.043 0.000 1.473 38 I CB -0.352 37.696 38.000 0.080 0.000 1.096 38 I HN 0.092 nan 8.210 nan 0.000 0.443 39 R N 0.574 120.953 120.500 -0.202 0.000 2.237 39 R HA -0.004 4.336 4.340 -0.000 0.000 0.219 39 R C 0.779 176.714 176.300 -0.607 0.000 1.080 39 R CA 0.731 56.445 56.100 -0.643 0.000 0.995 39 R CB -0.348 29.224 30.300 -1.214 0.000 0.875 39 R HN 0.449 nan 8.270 nan 0.000 0.462 40 c N 1.777 120.250 118.600 -0.212 0.000 2.184 40 c HA 0.304 4.874 4.570 -0.000 0.000 0.328 40 c C -0.452 173.661 174.090 0.039 0.000 1.081 40 c CA -0.821 55.539 56.329 0.052 0.000 1.533 40 c CB -0.874 41.822 42.510 0.310 0.000 1.905 40 c HN 0.287 nan 8.230 nan 0.000 0.439 41 D N 1.564 121.963 120.400 -0.001 0.000 2.831 41 D HA 0.530 5.170 4.640 -0.000 0.000 0.240 41 D C -0.027 176.283 176.300 0.017 0.000 1.183 41 D CA 0.209 54.219 54.000 0.017 0.000 1.079 41 D CB 1.861 42.668 40.800 0.012 0.000 1.262 41 D HN 0.505 nan 8.370 nan 0.000 0.634 42 T N -1.748 112.814 114.554 0.014 0.000 2.922 42 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 42 T C 1.191 175.892 174.700 0.002 0.000 1.005 42 T CA -0.521 61.586 62.100 0.011 0.000 1.061 42 T CB 1.724 70.600 68.868 0.013 0.000 1.007 42 T HN 0.433 nan 8.240 nan 0.000 0.502 43 R N 1.311 121.811 120.500 0.001 0.000 2.113 43 R HA -0.092 4.248 4.340 -0.000 0.000 0.244 43 R C -0.926 175.372 176.300 -0.003 0.000 1.142 43 R CA 1.799 57.895 56.100 -0.006 0.000 0.953 43 R CB -1.508 28.792 30.300 -0.000 0.000 0.860 43 R HN 0.534 nan 8.270 nan 0.000 0.438 44 P HA -0.148 nan 4.420 nan 0.000 0.215 44 P C 0.951 178.259 177.300 0.012 0.000 1.157 44 P CA 1.189 64.294 63.100 0.008 0.000 0.868 44 P CB -0.087 31.619 31.700 0.010 0.000 0.788 45 Q N -0.597 119.212 119.800 0.015 0.000 2.124 45 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 45 Q C 2.311 178.332 176.000 0.035 0.000 0.977 45 Q CA 1.222 57.040 55.803 0.025 0.000 0.850 45 Q CB -1.054 27.700 28.738 0.027 0.000 0.901 45 Q HN 0.358 nan 8.270 nan 0.000 0.429 46 L N 0.066 121.297 121.223 0.013 0.000 2.046 46 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 46 L C 2.403 179.293 176.870 0.033 0.000 1.077 46 L CA 0.929 55.770 54.840 0.001 0.000 0.747 46 L CB -0.509 41.501 42.059 -0.081 0.000 0.896 46 L HN 0.189 nan 8.230 nan 0.000 0.432 47 L N -1.042 120.192 121.223 0.018 0.000 2.109 47 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 47 L C 2.570 179.462 176.870 0.035 0.000 1.086 47 L CA 1.022 55.877 54.840 0.023 0.000 0.760 47 L CB -0.334 41.732 42.059 0.011 0.000 0.910 47 L HN 0.345 nan 8.230 nan 0.000 0.437 48 M N -0.391 119.229 119.600 0.034 0.000 2.374 48 M HA -0.143 4.336 4.480 -0.000 0.000 0.264 48 M C 2.162 178.485 176.300 0.038 0.000 1.067 48 M CA 1.519 56.837 55.300 0.030 0.000 1.103 48 M CB 0.038 32.653 32.600 0.023 0.000 1.402 48 M HN 0.105 nan 8.290 nan 0.000 0.444 49 R N -0.791 119.752 120.500 0.072 0.000 2.210 49 R HA 0.153 4.493 4.340 -0.000 0.000 0.203 49 R C 1.399 177.756 176.300 0.095 0.000 1.010 49 R CA 0.846 56.997 56.100 0.085 0.000 1.008 49 R CB 0.321 30.736 30.300 0.191 0.000 0.923 49 R HN 0.640 nan 8.270 nan 0.000 0.469 50 G N 0.298 109.178 108.800 0.134 0.000 2.480 50 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.193 50 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.193 50 G C 0.138 175.139 174.900 0.169 0.000 1.004 50 G CA -0.242 44.932 45.100 0.123 0.000 0.696 50 G HN 0.339 nan 8.290 nan 0.000 0.478 51 c N 3.264 122.017 118.600 0.255 0.000 2.409 51 c HA 0.518 5.088 4.570 -0.000 0.000 0.398 51 c C 1.759 175.843 174.090 -0.011 0.000 1.507 51 c CA 0.286 56.636 56.329 0.036 0.000 1.460 51 c CB -1.452 40.906 42.510 -0.254 0.000 2.472 51 c HN 1.547 nan 8.230 nan 0.000 0.614 52 A N 5.337 128.148 122.820 -0.014 0.000 2.521 52 A HA 0.436 4.756 4.320 -0.000 0.000 0.237 52 A C 1.368 178.935 177.584 -0.028 0.000 1.087 52 A CA 0.606 52.636 52.037 -0.011 0.000 0.777 52 A CB -0.006 18.990 19.000 -0.008 0.000 1.035 52 A HN 1.777 nan 8.150 nan 0.000 0.510 53 A N 0.450 123.261 122.820 -0.015 0.000 1.897 53 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 53 A C 1.422 178.997 177.584 -0.015 0.000 1.181 53 A CA 1.735 53.764 52.037 -0.015 0.000 0.620 53 A CB -0.601 18.395 19.000 -0.006 0.000 0.821 53 A HN 0.909 nan 8.150 nan 0.000 0.443 54 D N -0.586 119.807 120.400 -0.011 0.000 2.363 54 D HA -0.035 4.605 4.640 -0.000 0.000 0.226 54 D C 0.236 176.531 176.300 -0.009 0.000 1.020 54 D CA 0.631 54.627 54.000 -0.007 0.000 0.892 54 D CB -0.253 40.546 40.800 -0.003 0.000 0.900 54 D HN 0.284 nan 8.370 nan 0.000 0.531 55 D N -0.048 120.337 120.400 -0.025 0.000 2.369 55 D HA 0.160 4.800 4.640 -0.000 0.000 0.211 55 D C 0.273 176.544 176.300 -0.047 0.000 1.077 55 D CA -0.146 53.831 54.000 -0.038 0.000 0.842 55 D CB 0.624 41.381 40.800 -0.072 0.000 0.947 55 D HN 0.346 nan 8.370 nan 0.000 0.509 56 I N 2.259 122.809 120.570 -0.033 0.000 2.256 56 I HA 0.076 4.246 4.170 -0.000 0.000 0.294 56 I C 0.269 176.405 176.117 0.032 0.000 1.127 56 I CA -0.339 60.948 61.300 -0.022 0.000 1.247 56 I CB 0.355 38.337 38.000 -0.030 0.000 1.460 56 I HN -0.331 nan 8.210 nan 0.000 0.511 57 M N 5.057 124.711 119.600 0.090 0.000 2.303 57 M HA 0.057 4.537 4.480 -0.000 0.000 0.350 57 M C -0.202 176.149 176.300 0.085 0.000 1.518 57 M CA 0.772 56.134 55.300 0.103 0.000 1.070 57 M CB -0.198 32.501 32.600 0.164 0.000 1.910 57 M HN 0.361 nan 8.290 nan 0.000 0.458 58 D N 6.072 126.501 120.400 0.048 0.000 2.330 58 D HA 0.398 5.038 4.640 -0.000 0.000 0.249 58 D C -2.470 173.844 176.300 0.022 0.000 1.306 58 D CA -1.318 52.704 54.000 0.036 0.000 0.956 58 D CB 1.312 42.128 40.800 0.027 0.000 1.261 58 D HN 0.198 nan 8.370 nan 0.000 0.544 59 P HA 0.236 nan 4.420 nan 0.000 0.273 59 P C -0.650 176.660 177.300 0.018 0.000 1.319 59 P CA -0.022 63.087 63.100 0.015 0.000 0.885 59 P CB 0.723 32.429 31.700 0.011 0.000 1.015 60 T N 1.174 115.737 114.554 0.016 0.000 2.918 60 T HA 0.393 4.743 4.350 -0.000 0.000 0.286 60 T C 0.149 174.867 174.700 0.030 0.000 1.026 60 T CA -0.593 61.519 62.100 0.020 0.000 1.031 60 T CB 1.022 69.898 68.868 0.013 0.000 1.046 60 T HN 0.072 nan 8.240 nan 0.000 0.479 61 S N 2.021 117.746 115.700 0.042 0.000 2.545 61 S HA 0.645 5.115 4.470 -0.000 0.000 0.275 61 S C -0.162 174.475 174.600 0.062 0.000 1.299 61 S CA -0.771 57.468 58.200 0.066 0.000 1.048 61 S CB -0.050 63.193 63.200 0.072 0.000 0.938 61 S HN 0.587 nan 8.310 nan 0.000 0.496 62 L N -0.355 120.913 121.223 0.074 0.000 2.511 62 L HA 1.068 5.408 4.340 -0.000 0.000 0.250 62 L C -0.876 176.048 176.870 0.091 0.000 1.110 62 L CA -1.348 53.526 54.840 0.058 0.000 0.907 62 L CB 1.116 43.172 42.059 -0.007 0.000 1.526 62 L HN 0.562 nan 8.230 nan 0.000 0.405 63 A N -0.318 122.545 122.820 0.071 0.000 2.386 63 A HA 0.744 5.064 4.320 -0.000 0.000 0.311 63 A C -1.119 176.480 177.584 0.025 0.000 1.068 63 A CA -0.376 51.700 52.037 0.065 0.000 0.743 63 A CB 1.481 20.558 19.000 0.128 0.000 1.258 63 A HN 0.773 nan 8.150 nan 0.000 0.429 64 E N 1.640 121.848 120.200 0.013 0.000 2.114 64 E HA 0.392 4.742 4.350 -0.000 0.000 0.266 64 E C -0.583 176.002 176.600 -0.026 0.000 0.896 64 E CA -0.393 56.010 56.400 0.006 0.000 0.750 64 E CB 0.732 30.472 29.700 0.068 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 0.224 4.574 4.350 -0.000 0.000 0.364 65 T C 0.126 174.814 174.700 -0.019 0.000 1.636 65 T CA -0.717 61.376 62.100 -0.011 0.000 1.211 65 T CB 0.335 69.215 68.868 0.020 0.000 1.180 65 T HN 0.426 nan 8.240 nan 0.000 0.730 66 Q N 2.629 122.409 119.800 -0.033 0.000 2.513 66 Q HA 0.117 4.456 4.340 -0.000 0.000 0.227 66 Q C 0.054 176.025 176.000 -0.049 0.000 1.257 66 Q CA 0.058 55.835 55.803 -0.042 0.000 0.915 66 Q CB 0.367 29.077 28.738 -0.046 0.000 1.507 66 Q HN 0.690 nan 8.270 nan 0.000 0.543 67 E N 1.668 121.841 120.200 -0.045 0.000 2.383 67 E HA 0.025 4.375 4.350 -0.000 0.000 0.264 67 E C -0.501 176.043 176.600 -0.094 0.000 1.050 67 E CA -0.330 56.044 56.400 -0.045 0.000 0.896 67 E CB 0.750 30.435 29.700 -0.026 0.000 0.982 67 E HN 0.369 nan 8.360 nan 0.000 0.424 68 D N 0.619 120.968 120.400 -0.085 0.000 2.447 68 D HA 0.092 4.732 4.640 -0.000 0.000 0.265 68 D C 0.820 177.025 176.300 -0.159 0.000 1.250 68 D CA -0.152 53.754 54.000 -0.156 0.000 1.046 68 D CB 0.375 41.154 40.800 -0.035 0.000 1.095 68 D HN 0.428 nan 8.370 nan 0.000 0.555 69 H N -0.361 118.714 119.070 0.008 0.000 2.343 69 H HA 0.175 4.731 4.556 -0.000 0.000 0.307 69 H C 0.437 175.770 175.328 0.009 0.000 1.045 69 H CA 0.500 56.553 56.048 0.007 0.000 1.281 69 H CB -0.001 29.765 29.762 0.007 0.000 1.425 69 H HN 0.180 nan 8.280 nan 0.000 0.540 70 N N -2.324 116.498 118.700 0.204 0.000 3.340 70 N HA 0.287 5.027 4.740 -0.000 0.000 0.234 70 N C 0.245 175.805 175.510 0.083 0.000 1.196 70 N CA 0.595 53.707 53.050 0.103 0.000 0.958 70 N CB 1.420 39.950 38.487 0.072 0.000 1.608 70 N HN 0.643 nan 8.380 nan 0.000 0.515 71 G N 0.400 109.239 108.800 0.065 0.000 2.253 71 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 71 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 71 G C 1.086 176.023 174.900 0.062 0.000 0.998 71 G CA 1.118 46.252 45.100 0.057 0.000 0.621 71 G HN 1.066 nan 8.290 nan 0.000 0.524 72 G N -0.435 108.414 108.800 0.081 0.000 2.514 72 G HA2 0.193 4.153 3.960 -0.000 0.000 0.217 72 G HA3 0.193 4.153 3.960 -0.000 0.000 0.217 72 G C 0.733 175.669 174.900 0.059 0.000 1.198 72 G CA 1.735 46.882 45.100 0.079 0.000 0.780 72 G HN 0.676 nan 8.290 nan 0.000 0.565 73 Q N -1.972 117.863 119.800 0.058 0.000 2.501 73 Q HA 0.394 4.734 4.340 -0.000 0.000 0.288 73 Q C 0.240 176.273 176.000 0.055 0.000 1.051 73 Q CA -0.838 55.000 55.803 0.057 0.000 0.788 73 Q CB 2.223 30.997 28.738 0.061 0.000 1.469 73 Q HN 0.088 nan 8.270 nan 0.000 0.416 74 K N 0.274 120.708 120.400 0.057 0.000 2.102 74 K HA 0.087 4.407 4.320 -0.000 0.000 0.206 74 K C 0.737 177.334 176.600 -0.006 0.000 1.031 74 K CA 0.714 57.028 56.287 0.046 0.000 0.962 74 K CB 0.428 32.981 32.500 0.089 0.000 0.811 74 K HN 0.356 nan 8.250 nan 0.000 0.453 75 Q N 0.143 119.919 119.800 -0.040 0.000 2.084 75 Q HA 0.300 4.640 4.340 -0.000 0.000 0.230 75 Q C -0.630 175.359 176.000 -0.017 0.000 0.806 75 Q CA 0.068 55.755 55.803 -0.193 0.000 1.083 75 Q CB 1.280 29.681 28.738 -0.561 0.000 1.208 75 Q HN 0.185 nan 8.270 nan 0.000 0.462 76 L N 2.134 123.442 121.223 0.142 0.000 2.356 76 L HA 0.384 4.724 4.340 -0.000 0.000 0.264 76 L C -0.336 176.626 176.870 0.153 0.000 1.029 76 L CA -0.355 54.630 54.840 0.243 0.000 0.897 76 L CB 1.044 43.237 42.059 0.223 0.000 1.256 76 L HN 0.017 nan 8.230 nan 0.000 0.444 77 S N 2.503 118.292 115.700 0.149 0.000 2.568 77 S HA 0.767 5.237 4.470 -0.000 0.000 0.293 77 S C -2.781 171.904 174.600 0.142 0.000 1.089 77 S CA -1.605 56.662 58.200 0.112 0.000 0.945 77 S CB 2.206 65.450 63.200 0.072 0.000 1.077 77 S HN 0.143 nan 8.310 nan 0.000 0.485 78 P HA 0.282 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 -0.138 63.009 63.100 0.078 0.000 0.793 78 P CB 0.467 32.205 31.700 0.063 0.000 1.048 79 Q N -0.950 118.867 119.800 0.028 0.000 2.378 79 Q HA 0.155 4.495 4.340 -0.000 0.000 0.216 79 Q C -0.049 175.940 176.000 -0.019 0.000 0.892 79 Q CA 1.061 56.874 55.803 0.018 0.000 0.931 79 Q CB 0.280 29.027 28.738 0.014 0.000 1.086 79 Q HN 0.421 nan 8.270 nan 0.000 0.528 80 K N 0.278 120.653 120.400 -0.043 0.000 2.637 80 K HA 0.435 4.755 4.320 -0.000 0.000 0.248 80 K C -1.534 174.992 176.600 -0.122 0.000 0.971 80 K CA -0.360 55.875 56.287 -0.087 0.000 0.858 80 K CB 2.633 35.089 32.500 -0.073 0.000 1.170 80 K HN -0.243 nan 8.250 nan 0.000 0.443 81 V N 2.733 122.520 119.914 -0.212 0.000 2.294 81 V HA 0.166 4.285 4.120 -0.000 0.000 0.272 81 V C -0.104 175.795 176.094 -0.325 0.000 1.027 81 V CA -0.536 61.569 62.300 -0.326 0.000 0.823 81 V CB 1.191 32.615 31.823 -0.666 0.000 1.030 81 V HN 0.694 nan 8.190 nan 0.000 0.457 82 T N 7.076 121.520 114.554 -0.183 0.000 3.162 82 T HA 0.406 4.756 4.350 -0.000 0.000 0.316 82 T C -0.053 174.622 174.700 -0.043 0.000 1.182 82 T CA -0.302 61.719 62.100 -0.130 0.000 1.015 82 T CB -0.327 68.520 68.868 -0.035 0.000 1.089 82 T HN 0.497 nan 8.240 nan 0.000 0.646 83 L N 0.664 121.805 121.223 -0.138 0.000 2.395 83 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 83 L C -0.821 176.070 176.870 0.035 0.000 1.133 83 L CA -0.755 54.085 54.840 -0.000 0.000 0.812 83 L CB -0.149 41.868 42.059 -0.070 0.000 1.125 83 L HN 0.249 nan 8.230 nan 0.000 0.452 84 Y N 3.773 124.053 120.300 -0.032 0.000 2.478 84 Y HA 0.574 5.124 4.550 -0.000 0.000 0.329 84 Y C -0.438 175.462 175.900 0.001 0.000 0.967 84 Y CA -0.874 57.216 58.100 -0.017 0.000 1.255 84 Y CB 1.375 39.824 38.460 -0.017 0.000 1.103 84 Y HN 0.568 nan 8.280 nan 0.000 0.497 85 L N 5.039 126.315 121.223 0.089 0.000 2.265 85 L HA 0.526 4.866 4.340 -0.000 0.000 0.289 85 L C -0.114 176.785 176.870 0.048 0.000 1.033 85 L CA -0.807 54.075 54.840 0.070 0.000 0.814 85 L CB 0.785 42.877 42.059 0.054 0.000 1.203 85 L HN 0.590 nan 8.230 nan 0.000 0.423 86 R N 6.350 126.879 120.500 0.047 0.000 2.308 86 R HA 0.494 4.834 4.340 -0.000 0.000 0.305 86 R C -2.366 173.941 176.300 0.012 0.000 1.053 86 R CA -1.650 54.465 56.100 0.025 0.000 0.957 86 R CB 0.875 31.189 30.300 0.024 0.000 1.022 86 R HN 0.446 nan 8.270 nan 0.000 0.461 87 P HA 0.006 nan 4.420 nan 0.000 0.264 87 P C 0.304 177.596 177.300 -0.013 0.000 1.183 87 P CA 1.170 64.265 63.100 -0.010 0.000 0.763 87 P CB 0.826 32.512 31.700 -0.024 0.000 0.807 88 G N 1.721 110.517 108.800 -0.008 0.000 2.320 88 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.242 88 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.242 88 G C 0.209 175.107 174.900 -0.002 0.000 1.033 88 G CA -0.038 45.056 45.100 -0.011 0.000 0.620 88 G HN 0.636 nan 8.290 nan 0.000 0.517 89 Q N 0.823 120.626 119.800 0.005 0.000 2.271 89 Q HA 0.697 5.037 4.340 -0.000 0.000 0.258 89 Q C 0.119 176.134 176.000 0.024 0.000 0.936 89 Q CA -0.013 55.798 55.803 0.014 0.000 0.909 89 Q CB 1.355 30.103 28.738 0.017 0.000 1.253 89 Q HN 0.808 nan 8.270 nan 0.000 0.440 90 A N 2.358 125.193 122.820 0.025 0.000 2.331 90 A HA 0.700 5.020 4.320 -0.000 0.000 0.283 90 A C -0.703 176.913 177.584 0.054 0.000 1.142 90 A CA -0.232 51.823 52.037 0.031 0.000 0.812 90 A CB 0.819 19.827 19.000 0.015 0.000 1.074 90 A HN 0.746 nan 8.150 nan 0.000 0.497 91 A N 1.776 124.648 122.820 0.087 0.000 2.276 91 A HA 0.707 5.027 4.320 -0.000 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 0.564 19.672 19.000 0.180 0.000 1.165 91 A HN 2.022 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 0.812 5.132 4.320 -0.000 0.000 0.317 92 A C -0.697 177.004 177.584 0.195 0.000 1.159 92 A CA -0.517 51.567 52.037 0.077 0.000 0.799 92 A CB 0.167 19.181 19.000 0.023 0.000 1.194 92 A HN 1.541 nan 8.150 nan 0.000 0.479 93 F N 0.947 120.921 119.950 0.040 0.000 2.561 93 F HA 0.638 5.165 4.527 -0.000 0.000 0.313 93 F C -0.461 175.384 175.800 0.075 0.000 1.126 93 F CA -1.327 56.703 58.000 0.049 0.000 0.918 93 F CB 1.061 40.088 39.000 0.044 0.000 1.199 93 F HN 0.351 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 0.589 5.329 4.740 -0.000 0.000 0.264 94 N C -1.105 174.516 175.510 0.184 0.000 1.227 94 N CA -0.579 52.534 53.050 0.106 0.000 0.963 94 N CB 1.840 40.378 38.487 0.085 0.000 1.188 94 N HN 0.545 nan 8.380 nan 0.000 0.491 95 V N 0.816 120.850 119.914 0.200 0.000 2.445 95 V HA 0.225 4.345 4.120 -0.000 0.000 0.283 95 V C -0.268 175.976 176.094 0.251 0.000 1.014 95 V CA -0.770 61.689 62.300 0.265 0.000 0.852 95 V CB 1.182 33.217 31.823 0.354 0.000 1.021 95 V HN 0.576 nan 8.190 nan 0.000 0.435 96 T N 5.531 120.198 114.554 0.189 0.000 2.814 96 T HA 0.478 4.828 4.350 -0.000 0.000 0.297 96 T C -0.705 174.138 174.700 0.238 0.000 0.956 96 T CA 0.387 62.577 62.100 0.151 0.000 1.123 96 T CB 0.237 69.153 68.868 0.080 0.000 0.902 96 T HN 0.469 nan 8.240 nan 0.000 0.528 97 F N 3.981 123.966 119.950 0.058 0.000 2.659 97 F HA 0.456 4.983 4.527 -0.000 0.000 0.342 97 F C -0.115 175.697 175.800 0.021 0.000 1.168 97 F CA -0.984 57.050 58.000 0.058 0.000 1.003 97 F CB 0.988 40.066 39.000 0.131 0.000 1.267 97 F HN 0.409 nan 8.300 nan 0.000 0.463 98 R N 6.761 126.989 120.500 -0.455 0.000 2.477 98 R HA 0.369 4.709 4.340 -0.000 0.000 0.285 98 R C -0.060 175.947 176.300 -0.488 0.000 1.415 98 R CA -0.696 55.205 56.100 -0.332 0.000 1.446 98 R CB 0.484 30.687 30.300 -0.162 0.000 1.110 98 R HN 0.865 nan 8.270 nan 0.000 0.590 99 R N 1.587 121.725 120.500 -0.604 0.000 2.873 99 R HA -0.036 4.304 4.340 -0.000 0.000 0.267 99 R C -0.011 176.194 176.300 -0.159 0.000 1.009 99 R CA 1.350 57.224 56.100 -0.376 0.000 1.152 99 R CB 0.652 30.929 30.300 -0.039 0.000 1.047 99 R HN 0.691 nan 8.270 nan 0.000 0.470 100 A N 1.906 124.677 122.820 -0.082 0.000 1.917 100 A HA 0.275 4.595 4.320 -0.000 0.000 0.200 100 A C 0.017 177.543 177.584 -0.095 0.000 1.671 100 A CA 0.346 52.333 52.037 -0.083 0.000 1.034 100 A CB 0.531 19.483 19.000 -0.080 0.000 1.057 100 A HN 0.628 nan 8.150 nan 0.000 0.507 101 K N -2.632 117.693 120.400 -0.124 0.000 2.755 101 K HA 0.456 4.776 4.320 -0.000 0.000 0.294 101 K C -1.003 175.460 176.600 -0.228 0.000 1.060 101 K CA -0.162 56.001 56.287 -0.207 0.000 0.845 101 K CB 1.198 33.511 32.500 -0.311 0.000 1.539 101 K HN 0.348 nan 8.250 nan 0.000 0.379 102 G N 0.944 109.613 108.800 -0.219 0.000 2.322 102 G HA2 0.488 4.448 3.960 -0.000 0.000 0.309 102 G HA3 0.488 4.448 3.960 -0.000 0.000 0.309 102 G C -1.201 173.599 174.900 -0.166 0.000 1.121 102 G CA -0.102 44.926 45.100 -0.120 0.000 0.886 102 G HN 0.307 nan 8.290 nan 0.000 0.447 103 Y N 1.832 122.193 120.300 0.101 0.000 2.418 103 Y HA 0.366 4.916 4.550 -0.000 0.000 0.327 103 Y C -1.645 174.309 175.900 0.090 0.000 1.309 103 Y CA -2.098 56.057 58.100 0.091 0.000 1.423 103 Y CB 0.778 39.304 38.460 0.110 0.000 1.423 103 Y HN 0.325 nan 8.280 nan 0.000 0.532 104 P HA -0.015 nan 4.420 nan 0.000 0.258 104 P C -0.361 177.044 177.300 0.176 0.000 1.187 104 P CA 0.543 63.745 63.100 0.170 0.000 0.767 104 P CB 0.100 31.887 31.700 0.145 0.000 0.770 105 I N 2.775 123.439 120.570 0.158 0.000 2.886 105 I HA 0.247 4.417 4.170 -0.000 0.000 0.299 105 I C 0.113 176.314 176.117 0.140 0.000 1.044 105 I CA 0.158 61.562 61.300 0.174 0.000 1.310 105 I CB 0.893 39.008 38.000 0.191 0.000 1.441 105 I HN 0.201 nan 8.210 nan 0.000 0.578 106 D N 5.757 126.254 120.400 0.162 0.000 2.445 106 D HA 0.285 4.925 4.640 -0.000 0.000 0.236 106 D C -0.944 175.480 176.300 0.207 0.000 1.315 106 D CA -0.290 53.804 54.000 0.157 0.000 0.924 106 D CB 0.578 41.517 40.800 0.232 0.000 1.447 106 D HN 0.308 nan 8.370 nan 0.000 0.532 107 L N 1.709 123.012 121.223 0.133 0.000 2.456 107 L HA 0.478 4.818 4.340 -0.000 0.000 0.257 107 L C -0.576 176.445 176.870 0.252 0.000 1.162 107 L CA -0.695 54.253 54.840 0.180 0.000 0.808 107 L CB 0.905 43.033 42.059 0.116 0.000 1.136 107 L HN 0.330 nan 8.230 nan 0.000 0.466 108 Y N 0.542 120.955 120.300 0.187 0.000 2.348 108 Y HA 0.222 4.772 4.550 -0.000 0.000 0.321 108 Y C -1.325 174.724 175.900 0.249 0.000 1.163 108 Y CA -0.730 57.507 58.100 0.228 0.000 1.070 108 Y CB 1.160 39.803 38.460 0.305 0.000 1.250 108 Y HN 0.336 nan 8.280 nan 0.000 0.425 109 Y N 7.290 127.555 120.300 -0.059 0.000 2.518 109 Y HA 0.445 4.995 4.550 -0.000 0.000 0.344 109 Y C -0.825 174.995 175.900 -0.133 0.000 0.982 109 Y CA -0.484 57.633 58.100 0.029 0.000 1.234 109 Y CB 0.425 39.013 38.460 0.214 0.000 1.114 109 Y HN 0.561 nan 8.280 nan 0.000 0.515 110 L N 8.029 129.229 121.223 -0.038 0.000 2.356 110 L HA 0.287 4.627 4.340 -0.000 0.000 0.282 110 L C -0.066 176.809 176.870 0.010 0.000 1.132 110 L CA 0.017 54.934 54.840 0.127 0.000 0.923 110 L CB 0.095 42.311 42.059 0.263 0.000 1.278 110 L HN 0.633 nan 8.230 nan 0.000 0.436 111 M N 2.773 122.296 119.600 -0.129 0.000 2.336 111 M HA 0.308 4.788 4.480 -0.000 0.000 0.342 111 M C -0.588 175.214 176.300 -0.830 0.000 1.128 111 M CA -0.584 54.570 55.300 -0.243 0.000 1.016 111 M CB 1.697 34.438 32.600 0.236 0.000 1.665 111 M HN 0.277 nan 8.290 nan 0.000 0.445 112 D N 4.894 124.703 120.400 -0.985 0.000 2.325 112 D HA 0.214 4.854 4.640 -0.000 0.000 0.251 112 D C -1.011 175.038 176.300 -0.417 0.000 1.196 112 D CA 0.048 53.388 54.000 -1.099 0.000 0.866 112 D CB 0.514 40.975 40.800 -0.565 0.000 1.101 112 D HN 0.649 nan 8.370 nan 0.000 0.476 113 L N 3.940 124.982 121.223 -0.301 0.000 2.352 113 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 113 L C 0.067 176.926 176.870 -0.017 0.000 1.109 113 L CA -0.332 54.487 54.840 -0.036 0.000 0.952 113 L CB 0.099 42.286 42.059 0.214 0.000 1.314 113 L HN 0.318 nan 8.230 nan 0.000 0.427 114 S N -0.140 115.556 115.700 -0.006 0.000 2.798 114 S HA 0.260 4.730 4.470 -0.000 0.000 0.312 114 S C 0.343 174.999 174.600 0.094 0.000 1.122 114 S CA -0.476 57.758 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 1.705 122.023 120.300 0.030 0.000 2.544 115 Y HA -0.010 4.540 4.550 -0.000 0.000 0.286 115 Y C 2.322 178.240 175.900 0.030 0.000 1.141 115 Y CA 1.236 59.355 58.100 0.032 0.000 1.299 115 Y CB 0.030 38.509 38.460 0.032 0.000 1.030 115 Y HN 0.667 nan 8.280 nan 0.000 0.543 116 S N -1.271 114.517 115.700 0.146 0.000 2.528 116 S HA 0.029 4.498 4.470 -0.000 0.000 0.219 116 S C 1.023 175.642 174.600 0.031 0.000 0.985 116 S CA 0.189 58.445 58.200 0.094 0.000 0.914 116 S CB -0.077 63.186 63.200 0.105 0.000 0.776 116 S HN 0.226 nan 8.310 nan 0.000 0.526 117 M N 1.634 121.236 119.600 0.004 0.000 2.989 117 M HA 0.426 4.906 4.480 -0.000 0.000 0.307 117 M C 0.375 176.644 176.300 -0.052 0.000 1.224 117 M CA -0.097 55.196 55.300 -0.012 0.000 0.984 117 M CB -0.380 32.212 32.600 -0.012 0.000 1.264 117 M HN 0.316 nan 8.290 nan 0.000 0.525 118 L N 0.634 121.794 121.223 -0.105 0.000 2.062 118 L HA -0.111 4.229 4.340 -0.000 0.000 0.202 118 L C 1.960 178.774 176.870 -0.095 0.000 1.079 118 L CA 1.165 55.910 54.840 -0.159 0.000 0.755 118 L CB -0.329 41.547 42.059 -0.305 0.000 0.913 118 L HN 0.378 nan 8.230 nan 0.000 0.445 119 D N -1.157 119.201 120.400 -0.070 0.000 2.378 119 D HA -0.179 4.461 4.640 -0.000 0.000 0.222 119 D C 1.179 177.467 176.300 -0.019 0.000 0.980 119 D CA 0.797 54.773 54.000 -0.039 0.000 0.907 119 D CB -0.362 40.425 40.800 -0.022 0.000 0.899 119 D HN 0.247 nan 8.370 nan 0.000 0.527 120 D N 0.120 120.514 120.400 -0.011 0.000 2.183 120 D HA 0.010 4.649 4.640 -0.000 0.000 0.205 120 D C 1.971 178.275 176.300 0.006 0.000 0.962 120 D CA 0.229 54.238 54.000 0.016 0.000 0.849 120 D CB -0.206 40.617 40.800 0.038 0.000 0.978 120 D HN 0.207 nan 8.370 nan 0.000 0.488 121 L N 0.409 121.621 121.223 -0.018 0.000 2.217 121 L HA -0.039 4.301 4.340 -0.000 0.000 0.211 121 L C 2.309 179.141 176.870 -0.063 0.000 1.107 121 L CA 0.867 55.683 54.840 -0.040 0.000 0.783 121 L CB 0.146 42.175 42.059 -0.051 0.000 0.919 121 L HN -0.079 nan 8.230 nan 0.000 0.442 122 R N -0.070 120.397 120.500 -0.055 0.000 2.066 122 R HA -0.083 4.257 4.340 -0.000 0.000 0.224 122 R C 1.328 177.599 176.300 -0.047 0.000 1.122 122 R CA 1.629 57.696 56.100 -0.056 0.000 0.974 122 R CB -0.156 30.114 30.300 -0.050 0.000 0.871 122 R HN 0.403 nan 8.270 nan 0.000 0.435 123 N N -0.551 118.130 118.700 -0.031 0.000 2.421 123 N HA 0.018 4.758 4.740 -0.000 0.000 0.201 123 N C -0.047 175.447 175.510 -0.026 0.000 1.198 123 N CA -0.101 52.936 53.050 -0.022 0.000 0.838 123 N CB 1.040 39.525 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 -0.050 0.000 3.283 124 V HA -0.079 4.040 4.120 -0.000 0.000 0.265 124 V C 1.666 177.678 176.094 -0.137 0.000 1.672 124 V CA -0.108 62.145 62.300 -0.079 0.000 1.020 124 V CB 0.298 32.090 31.823 -0.052 0.000 0.854 124 V HN 0.237 nan 8.190 nan 0.000 0.408 125 K N 1.907 122.227 120.400 -0.133 0.000 2.242 125 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 125 K C 0.650 177.131 176.600 -0.197 0.000 1.045 125 K CA 1.621 57.798 56.287 -0.183 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 0.512 120.829 120.400 -0.139 0.000 3.306 126 K HA 0.184 4.504 4.320 -0.000 0.000 0.169 126 K C -1.496 175.059 176.600 -0.075 0.000 1.110 126 K CA -0.295 55.924 56.287 -0.113 0.000 0.783 126 K CB 1.010 33.450 32.500 -0.101 0.000 0.958 126 K HN -0.031 nan 8.250 nan 0.000 0.581 127 L N 0.576 121.754 121.223 -0.076 0.000 2.679 127 L HA 0.426 4.766 4.340 -0.000 0.000 0.238 127 L C 0.491 177.336 176.870 -0.041 0.000 1.330 127 L CA 0.172 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 -0.503 108.282 108.800 -0.026 0.000 3.228 128 G HA2 0.155 4.115 3.960 -0.000 0.000 0.245 128 G HA3 0.155 4.115 3.960 -0.000 0.000 0.245 128 G C 0.996 175.881 174.900 -0.025 0.000 1.051 128 G CA 0.393 45.482 45.100 -0.019 0.000 0.809 128 G HN 0.598 nan 8.290 nan 0.000 0.531 129 G N 1.313 110.102 108.800 -0.019 0.000 2.551 129 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 129 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 129 G C 1.229 176.119 174.900 -0.015 0.000 1.137 129 G CA 1.154 46.243 45.100 -0.018 0.000 0.798 129 G HN 0.440 nan 8.290 nan 0.000 0.536 130 D N 0.109 120.501 120.400 -0.012 0.000 2.349 130 D HA 0.075 4.715 4.640 -0.000 0.000 0.214 130 D C 2.029 178.330 176.300 0.001 0.000 1.063 130 D CA -0.179 53.818 54.000 -0.004 0.000 0.847 130 D CB -0.147 40.653 40.800 0.000 0.000 0.933 130 D HN 0.349 nan 8.370 nan 0.000 0.513 131 L N -0.497 120.721 121.223 -0.008 0.000 2.145 131 L HA 0.031 4.371 4.340 -0.000 0.000 0.201 131 L C 2.028 178.894 176.870 -0.007 0.000 1.075 131 L CA 0.316 55.154 54.840 -0.003 0.000 0.773 131 L CB -0.232 41.812 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 4.206 4.340 -0.000 0.000 0.212 132 L C 2.618 179.481 176.870 -0.011 0.000 1.105 132 L CA 1.429 56.254 54.840 -0.024 0.000 0.775 132 L CB -0.708 41.329 42.059 -0.036 0.000 0.913 132 L HN 0.164 nan 8.230 nan 0.000 0.440 133 R N -0.287 120.208 120.500 -0.008 0.000 2.090 133 R HA -0.069 4.271 4.340 -0.000 0.000 0.228 133 R C 2.049 178.350 176.300 0.002 0.000 1.110 133 R CA 1.161 57.258 56.100 -0.005 0.000 0.973 133 R CB -0.108 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 0.444 123.271 122.820 0.011 0.000 2.169 134 A HA -0.015 4.305 4.320 -0.000 0.000 0.212 134 A C 1.697 179.296 177.584 0.024 0.000 1.153 134 A CA 0.394 52.445 52.037 0.023 0.000 0.756 134 A CB -0.047 18.979 19.000 0.042 0.000 0.813 134 A HN 0.368 nan 8.150 nan 0.000 0.471 135 L N -0.794 120.439 121.223 0.017 0.000 2.513 135 L HA 0.196 4.536 4.340 -0.000 0.000 0.222 135 L C 1.558 178.423 176.870 -0.009 0.000 1.096 135 L CA 1.312 56.162 54.840 0.017 0.000 0.857 135 L CB -0.504 41.569 42.059 0.022 0.000 1.026 135 L HN 0.318 nan 8.230 nan 0.000 0.469 136 N N 0.382 119.075 118.700 -0.012 0.000 2.120 136 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 136 N C 1.542 177.034 175.510 -0.030 0.000 1.024 136 N CA 1.754 54.793 53.050 -0.019 0.000 0.852 136 N CB 0.148 38.626 38.487 -0.015 0.000 1.003 136 N HN 0.460 nan 8.380 nan 0.000 0.424 137 E N 0.257 120.436 120.200 -0.036 0.000 2.005 137 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 137 E C 1.964 178.523 176.600 -0.069 0.000 1.010 137 E CA 1.466 57.838 56.400 -0.047 0.000 0.825 137 E CB -0.245 29.427 29.700 -0.047 0.000 0.769 137 E HN 0.319 nan 8.360 nan 0.000 0.456 138 I N 0.381 120.888 120.570 -0.105 0.000 2.185 138 I HA -0.034 4.136 4.170 -0.000 0.000 0.235 138 I C 1.097 177.145 176.117 -0.116 0.000 1.069 138 I CA 0.946 62.158 61.300 -0.147 0.000 1.354 138 I CB -1.635 36.199 38.000 -0.277 0.000 1.093 138 I HN 0.039 nan 8.210 nan 0.000 0.411 139 T N 2.180 116.673 114.554 -0.101 0.000 2.874 139 T HA 0.283 4.633 4.350 -0.000 0.000 0.281 139 T C 0.659 175.346 174.700 -0.022 0.000 0.994 139 T CA -0.617 61.457 62.100 -0.044 0.000 1.015 139 T CB 1.824 70.698 68.868 0.009 0.000 1.028 139 T HN 0.361 nan 8.240 nan 0.000 0.523 140 E N 0.342 120.539 120.200 -0.004 0.000 3.361 140 E HA 0.283 4.633 4.350 -0.000 0.000 0.379 140 E C 0.061 176.667 176.600 0.009 0.000 0.442 140 E CA -0.754 55.645 56.400 -0.001 0.000 2.366 140 E CB -0.165 29.535 29.700 -0.000 0.000 2.164 140 E HN 0.497 nan 8.360 nan 0.000 0.446 141 S N 0.624 116.330 115.700 0.011 0.000 2.671 141 S HA 0.243 4.713 4.470 -0.000 0.000 0.331 141 S C 0.449 175.062 174.600 0.021 0.000 1.182 141 S CA -0.437 57.770 58.200 0.011 0.000 1.276 141 S CB -0.424 62.783 63.200 0.011 0.000 1.360 141 S HN 0.591 nan 8.310 nan 0.000 0.563 142 G N 2.658 111.468 108.800 0.017 0.000 2.574 142 G HA2 0.649 4.608 3.960 -0.000 0.000 0.248 142 G HA3 0.649 4.608 3.960 -0.000 0.000 0.248 142 G C -0.177 174.723 174.900 0.000 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 -1.570 118.923 120.500 -0.010 0.000 2.808 143 R HA 0.606 4.946 4.340 -0.000 0.000 0.272 143 R C -1.673 174.554 176.300 -0.120 0.000 0.995 143 R CA -0.717 55.349 56.100 -0.058 0.000 0.917 143 R CB 1.758 32.034 30.300 -0.039 0.000 1.217 143 R HN 0.346 nan 8.270 nan 0.000 0.471 144 I N 0.029 120.462 120.570 -0.228 0.000 2.534 144 I HA 0.540 4.710 4.170 -0.000 0.000 0.288 144 I C 0.164 176.013 176.117 -0.446 0.000 1.077 144 I CA -0.267 60.765 61.300 -0.446 0.000 1.051 144 I CB 2.374 39.896 38.000 -0.797 0.000 1.234 144 I HN 0.706 nan 8.210 nan 0.000 0.425 145 G N 4.133 112.809 108.800 -0.206 0.000 2.642 145 G HA2 0.777 4.737 3.960 -0.000 0.000 0.293 145 G HA3 0.777 4.737 3.960 -0.000 0.000 0.293 145 G C -2.092 172.837 174.900 0.048 0.000 1.341 145 G CA -0.600 44.561 45.100 0.102 0.000 0.916 145 G HN 0.322 nan 8.290 nan 0.000 0.474 146 F N 0.062 119.799 119.950 -0.355 0.000 2.588 146 F HA 0.758 5.285 4.527 -0.000 0.000 0.310 146 F C -0.047 175.334 175.800 -0.698 0.000 1.082 146 F CA -0.525 57.152 58.000 -0.538 0.000 0.929 146 F CB 2.616 41.410 39.000 -0.342 0.000 1.254 146 F HN 0.804 nan 8.300 nan 0.000 0.455 147 G N 2.886 110.935 108.800 -1.253 0.000 2.668 147 G HA2 0.451 4.411 3.960 -0.000 0.000 0.284 147 G HA3 0.451 4.411 3.960 -0.000 0.000 0.284 147 G C -1.772 172.854 174.900 -0.457 0.000 1.456 147 G CA -0.610 44.278 45.100 -0.355 0.000 1.214 147 G HN 0.772 nan 8.290 nan 0.000 0.568 148 S N 0.872 116.432 115.700 -0.232 0.000 2.652 148 S HA 0.927 5.397 4.470 -0.000 0.000 0.270 148 S C -0.571 174.289 174.600 0.433 0.000 1.243 148 S CA -0.503 57.750 58.200 0.087 0.000 0.999 148 S CB 0.598 63.999 63.200 0.334 0.000 0.973 148 S HN 1.435 nan 8.310 nan 0.000 0.544 149 F N 0.352 120.450 119.950 0.246 0.000 2.725 149 F HA 0.637 5.163 4.527 -0.000 0.000 0.309 149 F C -0.830 174.852 175.800 -0.197 0.000 1.132 149 F CA -0.972 57.072 58.000 0.074 0.000 0.957 149 F CB 0.271 39.360 39.000 0.148 0.000 1.286 149 F HN 0.315 nan 8.300 nan 0.000 0.440 150 V N -0.419 119.374 119.914 -0.202 0.000 4.197 150 V HA 0.506 4.626 4.120 -0.000 0.000 0.176 150 V C -1.036 175.076 176.094 0.031 0.000 1.208 150 V CA 0.654 62.809 62.300 -0.242 0.000 1.306 150 V CB 0.663 32.126 31.823 -0.600 0.000 1.585 150 V HN 0.897 nan 8.190 nan 0.000 0.552 151 D N -1.005 119.352 120.400 -0.071 0.000 2.798 151 D HA 0.196 4.836 4.640 -0.000 0.000 0.265 151 D C -1.182 175.050 176.300 -0.114 0.000 1.223 151 D CA -0.596 53.401 54.000 -0.006 0.000 0.743 151 D CB 1.742 42.606 40.800 0.106 0.000 1.276 151 D HN 0.159 nan 8.370 nan 0.000 0.421 152 K N 0.253 120.510 120.400 -0.238 0.000 2.559 152 K HA 0.013 4.333 4.320 -0.000 0.000 0.279 152 K C 0.762 177.340 176.600 -0.038 0.000 0.967 152 K CA 0.687 56.821 56.287 -0.255 0.000 1.000 152 K CB 0.449 32.627 32.500 -0.538 0.000 0.890 152 K HN 0.395 nan 8.250 nan 0.000 0.501 153 T N 1.848 116.453 114.554 0.086 0.000 2.674 153 T HA -0.119 4.231 4.350 -0.000 0.000 0.265 153 T C 0.942 175.700 174.700 0.097 0.000 1.039 153 T CA 0.839 63.024 62.100 0.140 0.000 1.150 153 T CB -0.049 68.932 68.868 0.188 0.000 0.864 153 T HN 0.465 nan 8.240 nan 0.000 0.427 154 V N 3.317 123.286 119.914 0.092 0.000 3.003 154 V HA 0.393 4.513 4.120 -0.000 0.000 0.305 154 V C 0.257 176.461 176.094 0.183 0.000 1.078 154 V CA -1.150 61.214 62.300 0.106 0.000 1.083 154 V CB 0.306 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 4.203 125.522 121.223 0.161 0.000 2.456 155 L HA 0.449 4.789 4.340 -0.000 0.000 0.246 155 L C -1.941 175.071 176.870 0.237 0.000 1.238 155 L CA -0.751 54.194 54.840 0.174 0.000 0.826 155 L CB -1.419 40.694 42.059 0.090 0.000 1.150 155 L HN 0.376 nan 8.230 nan 0.000 0.514 156 P HA 0.108 nan 4.420 nan 0.000 0.256 156 P C 0.496 177.711 177.300 -0.142 0.000 1.335 156 P CA 0.668 63.731 63.100 -0.062 0.000 0.808 156 P CB -0.208 31.392 31.700 -0.166 0.000 1.305 157 F N -0.923 119.003 119.950 -0.039 0.000 2.416 157 F HA 0.093 4.620 4.527 -0.000 0.000 0.296 157 F C 1.299 177.086 175.800 -0.020 0.000 1.099 157 F CA 0.664 58.627 58.000 -0.063 0.000 1.427 157 F CB 0.145 39.096 39.000 -0.082 0.000 1.079 157 F HN -0.186 nan 8.300 nan 0.000 0.536 158 V N 0.540 120.559 119.914 0.175 0.000 2.950 158 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 158 V C -1.591 174.549 176.094 0.077 0.000 1.297 158 V CA -1.429 60.933 62.300 0.103 0.000 0.962 158 V CB 1.384 33.268 31.823 0.101 0.000 1.081 158 V HN 0.294 nan 8.190 nan 0.000 0.432 159 N N 3.418 122.149 118.700 0.052 0.000 2.365 159 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 159 N C 0.963 176.489 175.510 0.026 0.000 1.288 159 N CA 0.753 53.829 53.050 0.044 0.000 0.869 159 N CB 0.978 39.489 38.487 0.040 0.000 1.071 159 N HN 0.893 nan 8.380 nan 0.000 0.480 160 T N -1.216 113.346 114.554 0.013 0.000 3.014 160 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 160 T C 0.041 174.575 174.700 -0.277 0.000 1.078 160 T CA 0.808 62.853 62.100 -0.092 0.000 1.135 160 T CB -0.412 68.421 68.868 -0.057 0.000 0.895 160 T HN 0.688 nan 8.240 nan 0.000 0.480 161 H N 0.616 119.712 119.070 0.043 0.000 2.928 161 H HA 0.531 5.087 4.556 -0.000 0.000 0.371 161 H C -1.919 173.427 175.328 0.030 0.000 1.186 161 H CA -1.656 54.413 56.048 0.035 0.000 1.134 161 H CB 2.390 32.170 29.762 0.030 0.000 1.824 161 H HN 0.022 nan 8.280 nan 0.000 0.554 162 P HA 0.063 nan 4.420 nan 0.000 0.219 162 P C 0.277 177.652 177.300 0.124 0.000 1.149 162 P CA 0.168 63.397 63.100 0.215 0.000 0.755 162 P CB 0.543 32.325 31.700 0.138 0.000 1.201 163 D N -0.517 119.937 120.400 0.090 0.000 2.340 163 D HA -0.058 4.582 4.640 -0.000 0.000 0.220 163 D C 1.527 177.857 176.300 0.049 0.000 1.039 163 D CA 0.348 54.387 54.000 0.065 0.000 0.866 163 D CB -0.338 40.494 40.800 0.054 0.000 0.913 163 D HN 0.252 nan 8.370 nan 0.000 0.523 164 K N 0.074 120.503 120.400 0.048 0.000 2.362 164 K HA -0.074 4.246 4.320 -0.000 0.000 0.200 164 K C 1.805 178.430 176.600 0.042 0.000 1.046 164 K CA 0.315 56.625 56.287 0.039 0.000 0.952 164 K CB -0.142 32.378 32.500 0.034 0.000 0.753 164 K HN 0.113 nan 8.250 nan 0.000 0.466 165 L N 1.299 122.547 121.223 0.041 0.000 2.056 165 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 165 L C 1.912 178.809 176.870 0.045 0.000 1.078 165 L CA 1.575 56.435 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 0.083 nan 8.230 nan 0.000 0.433 166 R N -0.578 119.949 120.500 0.045 0.000 2.237 166 R HA -0.020 4.320 4.340 -0.000 0.000 0.219 166 R C 0.253 176.581 176.300 0.047 0.000 1.080 166 R CA 0.865 56.992 56.100 0.044 0.000 0.995 166 R CB -0.245 30.080 30.300 0.040 0.000 0.875 166 R HN 0.310 nan 8.270 nan 0.000 0.462 167 N N -0.468 118.261 118.700 0.048 0.000 2.716 167 N HA 0.137 4.877 4.740 -0.000 0.000 0.245 167 N C -2.475 173.063 175.510 0.047 0.000 1.495 167 N CA -1.653 51.426 53.050 0.048 0.000 0.759 167 N CB 1.230 39.740 38.487 0.038 0.000 1.261 167 N HN -0.213 nan 8.380 nan 0.000 0.515 168 P HA 0.082 nan 4.420 nan 0.000 0.219 168 P C 0.167 177.491 177.300 0.041 0.000 1.150 168 P CA 0.350 63.482 63.100 0.054 0.000 0.814 168 P CB 0.151 31.899 31.700 0.080 0.000 0.787 169 c N 2.443 121.086 118.600 0.072 0.000 2.409 169 c HA 0.013 4.583 4.570 -0.000 0.000 0.398 169 c C -1.915 172.152 174.090 -0.039 0.000 1.507 169 c CA -0.457 55.922 56.329 0.084 0.000 1.460 169 c CB -1.148 41.453 42.510 0.151 0.000 2.472 169 c HN 0.231 nan 8.230 nan 0.000 0.614 170 P HA 0.171 nan 4.420 nan 0.000 0.274 170 P C 0.496 177.653 177.300 -0.238 0.000 1.291 170 P CA 0.880 63.805 63.100 -0.292 0.000 0.815 170 P CB 0.458 31.861 31.700 -0.495 0.000 0.897 171 N N 3.529 122.169 118.700 -0.099 0.000 1.942 171 N HA -0.232 4.508 4.740 -0.000 0.000 0.211 171 N C 0.885 176.399 175.510 0.006 0.000 1.207 171 N CA 2.330 55.353 53.050 -0.046 0.000 3.569 171 N CB -1.289 37.164 38.487 -0.058 0.000 0.738 171 N HN 0.280 nan 8.380 nan 0.000 0.356 172 K N 0.683 121.110 120.400 0.045 0.000 2.098 172 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 172 K C -0.235 176.415 176.600 0.082 0.000 1.051 172 K CA 0.819 57.164 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 1.193 121.449 120.200 0.093 0.000 2.210 173 E HA -0.203 4.147 4.350 -0.000 0.000 0.201 173 E C -0.519 176.121 176.600 0.067 0.000 1.339 173 E CA 0.525 56.969 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 0.189 4.509 4.320 -0.000 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 0.051 0.000 1.233 174 K CB 0.462 32.989 32.500 0.045 0.000 1.226 174 K HN 0.131 nan 8.250 nan 0.000 0.442 175 E N 0.223 120.447 120.200 0.040 0.000 2.340 175 E HA -0.213 4.137 4.350 -0.000 0.000 0.240 175 E C -0.433 176.187 176.600 0.032 0.000 1.154 175 E CA 0.556 56.973 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 0.511 119.145 118.600 0.057 0.000 2.605 176 c HA 0.553 5.123 4.570 -0.000 0.000 0.404 176 c C 1.184 175.314 174.090 0.067 0.000 1.284 176 c CA -0.145 56.226 56.329 0.069 0.000 2.199 176 c CB 0.594 43.174 42.510 0.117 0.000 2.647 176 c HN 0.579 nan 8.230 nan 0.000 0.604 177 Q N 2.451 122.288 119.800 0.060 0.000 2.454 177 Q HA 0.422 4.762 4.340 -0.000 0.000 0.247 177 Q C -2.454 173.613 176.000 0.113 0.000 1.028 177 Q CA -0.972 54.856 55.803 0.042 0.000 0.910 177 Q CB -0.369 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 0.072 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 -0.889 62.293 63.100 0.137 0.000 0.772 178 P CB -0.389 31.366 31.700 0.091 0.000 0.855 179 P HA 0.020 nan 4.420 nan 0.000 0.261 179 P C -0.682 176.845 177.300 0.378 0.000 1.183 179 P CA 0.771 64.026 63.100 0.259 0.000 0.761 179 P CB -0.162 31.624 31.700 0.144 0.000 0.785 180 F N 1.382 121.443 119.950 0.184 0.000 3.043 180 F HA 0.900 5.427 4.527 -0.000 0.000 0.357 180 F C 0.603 176.542 175.800 0.230 0.000 1.302 180 F CA -0.819 57.377 58.000 0.328 0.000 1.069 180 F CB 0.354 39.540 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 0.442 4.761 4.320 -0.000 0.000 0.193 181 A C -0.964 176.627 177.584 0.011 0.000 1.883 181 A CA 0.254 52.059 52.037 -0.386 0.000 1.434 181 A CB 0.204 18.628 19.000 -0.959 0.000 1.505 181 A HN 0.862 nan 8.150 nan 0.000 0.364 182 F N 0.596 120.593 119.950 0.078 0.000 2.839 182 F HA 0.633 5.160 4.527 -0.000 0.000 0.344 182 F C -0.886 175.209 175.800 0.492 0.000 1.242 182 F CA -0.450 57.737 58.000 0.312 0.000 1.091 182 F CB 1.262 40.328 39.000 0.109 0.000 1.374 182 F HN 0.069 nan 8.300 nan 0.000 0.553 183 R N 4.243 124.657 120.500 -0.143 0.000 2.412 183 R HA 0.241 4.581 4.340 -0.000 0.000 0.304 183 R C -1.262 174.807 176.300 -0.386 0.000 1.066 183 R CA -0.858 55.112 56.100 -0.217 0.000 0.923 183 R CB 0.419 30.608 30.300 -0.186 0.000 1.156 183 R HN 0.795 nan 8.270 nan 0.000 0.513 184 H N 4.075 122.821 119.070 -0.541 0.000 3.432 184 H HA 0.037 4.593 4.556 -0.000 0.000 0.252 184 H C 0.709 175.996 175.328 -0.068 0.000 1.397 184 H CA 0.116 56.014 56.048 -0.251 0.000 1.549 184 H CB 0.297 30.029 29.762 -0.050 0.000 1.699 184 H HN 0.408 nan 8.280 nan 0.000 0.523 185 V N 4.531 124.310 119.914 -0.225 0.000 2.323 185 V HA -0.088 4.031 4.120 -0.000 0.000 0.244 185 V C 0.973 176.908 176.094 -0.266 0.000 1.041 185 V CA 1.074 63.272 62.300 -0.170 0.000 1.025 185 V CB -0.217 31.570 31.823 -0.060 0.000 0.656 185 V HN 0.535 nan 8.190 nan 0.000 0.451 186 L N 0.155 121.156 121.223 -0.371 0.000 2.385 186 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 186 L C -0.228 176.496 176.870 -0.243 0.000 0.990 186 L CA -0.280 54.402 54.840 -0.263 0.000 0.821 186 L CB 2.200 44.081 42.059 -0.296 0.000 1.279 186 L HN 0.036 nan 8.230 nan 0.000 0.412 187 K N 2.510 122.920 120.400 0.017 0.000 2.090 187 K HA 0.507 4.827 4.320 -0.000 0.000 0.250 187 K C -0.567 176.111 176.600 0.130 0.000 1.004 187 K CA -0.696 55.723 56.287 0.219 0.000 0.919 187 K CB 0.865 33.506 32.500 0.236 0.000 1.045 187 K HN 0.494 nan 8.250 nan 0.000 0.471 188 L N 3.512 124.764 121.223 0.048 0.000 2.597 188 L HA 0.078 4.418 4.340 -0.000 0.000 0.271 188 L C 0.277 177.139 176.870 -0.014 0.000 1.157 188 L CA 0.004 54.818 54.840 -0.044 0.000 0.928 188 L CB -0.376 41.578 42.059 -0.175 0.000 1.216 188 L HN 0.779 nan 8.230 nan 0.000 0.481 189 T N -1.659 112.886 114.554 -0.015 0.000 2.887 189 T HA 0.372 4.722 4.350 -0.000 0.000 0.292 189 T C 0.636 175.315 174.700 -0.036 0.000 1.087 189 T CA -0.964 61.135 62.100 -0.001 0.000 1.009 189 T CB 1.856 70.751 68.868 0.045 0.000 1.203 189 T HN 0.292 nan 8.240 nan 0.000 0.518 190 N N 1.337 120.026 118.700 -0.018 0.000 2.173 190 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 190 N C 0.622 176.113 175.510 -0.032 0.000 1.025 190 N CA 0.794 53.828 53.050 -0.026 0.000 0.852 190 N CB -0.826 37.655 38.487 -0.010 0.000 0.998 190 N HN 0.840 nan 8.380 nan 0.000 0.427 191 N N 0.630 119.324 118.700 -0.011 0.000 2.305 191 N HA -0.052 4.688 4.740 -0.000 0.000 0.232 191 N C 0.783 176.288 175.510 -0.008 0.000 1.274 191 N CA 0.535 53.584 53.050 -0.002 0.000 0.870 191 N CB 0.410 38.907 38.487 0.017 0.000 1.105 191 N HN 0.155 nan 8.380 nan 0.000 0.436 192 S N -0.740 114.960 115.700 -0.001 0.000 2.830 192 S HA -0.028 4.442 4.470 -0.000 0.000 0.249 192 S C 1.256 175.889 174.600 0.055 0.000 1.084 192 S CA 0.023 58.223 58.200 -0.000 0.000 0.852 192 S CB -0.490 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 2.255 120.969 118.700 0.025 0.000 2.216 193 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 193 N C 1.724 177.240 175.510 0.010 0.000 1.017 193 N CA 1.643 54.699 53.050 0.011 0.000 0.861 193 N CB -0.780 37.703 38.487 -0.007 0.000 0.986 193 N HN 0.501 nan 8.380 nan 0.000 0.428 194 Q N 0.020 119.833 119.800 0.023 0.000 2.224 194 Q HA -0.006 4.334 4.340 -0.000 0.000 0.203 194 Q C 1.644 177.647 176.000 0.004 0.000 0.970 194 Q CA 0.911 56.717 55.803 0.004 0.000 0.865 194 Q CB -0.578 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 0.359 120.248 119.950 -0.102 0.000 2.163 195 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 195 F C 1.966 177.658 175.800 -0.180 0.000 1.094 195 F CA 1.535 59.455 58.000 -0.133 0.000 1.290 195 F CB -0.031 38.900 39.000 -0.115 0.000 1.017 195 F HN 0.135 nan 8.300 nan 0.000 0.483 196 Q N -0.499 119.299 119.800 -0.003 0.000 2.050 196 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 196 Q C 2.224 178.094 176.000 -0.218 0.000 0.980 196 Q CA 2.493 58.225 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 -0.939 113.517 114.554 -0.164 0.000 2.867 197 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 197 T C 1.582 176.153 174.700 -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 0.604 120.640 120.200 -0.274 0.000 2.418 198 E HA 0.065 4.415 4.350 -0.000 0.000 0.197 198 E C 2.107 178.455 176.600 -0.421 0.000 1.026 198 E CA 0.243 56.456 56.400 -0.312 0.000 0.862 198 E CB 0.048 29.555 29.700 -0.322 0.000 0.799 198 E HN 0.465 nan 8.360 nan 0.000 0.518 199 V N -0.059 119.546 119.914 -0.516 0.000 2.326 199 V HA -0.039 4.081 4.120 -0.000 0.000 0.238 199 V C 2.367 178.211 176.094 -0.417 0.000 1.038 199 V CA 1.610 63.526 62.300 -0.640 0.000 1.032 199 V CB -0.898 30.443 31.823 -0.804 0.000 0.675 199 V HN 0.278 nan 8.190 nan 0.000 0.467 200 G N 0.373 108.983 108.800 -0.317 0.000 2.550 200 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.222 200 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.222 200 G C 1.530 176.319 174.900 -0.185 0.000 1.113 200 G CA 1.611 46.580 45.100 -0.218 0.000 0.748 200 G HN 0.528 nan 8.290 nan 0.000 0.585 201 K N 0.370 120.651 120.400 -0.197 0.000 1.990 201 K HA -0.202 4.118 4.320 -0.000 0.000 0.225 201 K C 1.106 177.618 176.600 -0.146 0.000 1.053 201 K CA 1.298 57.489 56.287 -0.161 0.000 0.982 201 K CB -0.348 32.048 32.500 -0.173 0.000 0.734 201 K HN 0.434 nan 8.250 nan 0.000 0.448 202 Q N 0.999 120.696 119.800 -0.171 0.000 2.364 202 Q HA 0.168 4.508 4.340 -0.000 0.000 0.267 202 Q C -0.213 175.722 176.000 -0.107 0.000 0.999 202 Q CA -0.142 55.575 55.803 -0.144 0.000 0.886 202 Q CB 0.914 29.548 28.738 -0.173 0.000 1.243 202 Q HN 0.290 nan 8.270 nan 0.000 0.415 203 L N 2.028 123.210 121.223 -0.069 0.000 2.347 203 L HA 0.508 4.848 4.340 -0.000 0.000 0.268 203 L C 0.616 177.499 176.870 0.022 0.000 1.019 203 L CA -1.081 53.739 54.840 -0.034 0.000 0.806 203 L CB 0.728 42.772 42.059 -0.024 0.000 1.339 203 L HN 0.632 nan 8.230 nan 0.000 0.463 204 I N -2.528 118.065 120.570 0.038 0.000 3.363 204 I HA 0.243 4.413 4.170 -0.000 0.000 0.234 204 I C 0.564 176.790 176.117 0.181 0.000 1.263 204 I CA 0.110 61.471 61.300 0.101 0.000 0.921 204 I CB 0.583 38.607 38.000 0.040 0.000 1.614 204 I HN 0.577 nan 8.210 nan 0.000 0.879 205 S N -0.930 114.901 115.700 0.218 0.000 4.297 205 S HA 0.862 5.331 4.470 -0.000 0.000 0.226 205 S C -0.409 174.298 174.600 0.178 0.000 1.134 205 S CA -0.170 58.167 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 1.406 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 4.404 3.960 -0.000 0.000 0.298 206 G HA3 0.445 4.404 3.960 -0.000 0.000 0.298 206 G C -2.083 172.859 174.900 0.070 0.000 1.498 206 G CA -0.102 45.060 45.100 0.102 0.000 0.847 206 G HN 1.121 nan 8.290 nan 0.000 0.594 207 N N -1.266 117.474 118.700 0.068 0.000 3.039 207 N HA 0.588 5.328 4.740 -0.000 0.000 0.257 207 N C 0.340 175.888 175.510 0.063 0.000 1.497 207 N CA -0.916 52.177 53.050 0.071 0.000 0.861 207 N CB 0.782 39.321 38.487 0.086 0.000 1.479 207 N HN 0.399 nan 8.380 nan 0.000 0.547 208 L N -0.708 120.553 121.223 0.063 0.000 2.129 208 L HA 0.143 4.483 4.340 -0.000 0.000 0.200 208 L C 0.118 177.008 176.870 0.033 0.000 1.159 208 L CA 0.482 55.344 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 1.017 121.426 120.400 0.015 0.000 2.548 209 D HA -0.086 4.554 4.640 -0.000 0.000 0.231 209 D C 0.764 177.114 176.300 0.083 0.000 1.142 209 D CA 0.702 54.707 54.000 0.007 0.000 0.866 209 D CB 1.231 41.984 40.800 -0.079 0.000 1.190 209 D HN 0.289 nan 8.370 nan 0.000 0.469 210 A N 3.325 126.187 122.820 0.069 0.000 1.841 210 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 210 A C -1.302 176.367 177.584 0.141 0.000 1.195 210 A CA 0.699 52.786 52.037 0.084 0.000 0.611 210 A CB -1.600 17.426 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 -0.109 177.431 177.300 0.400 0.000 1.223 211 P CA -0.004 63.208 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 0.193 120.657 120.200 0.439 0.000 2.292 212 E HA 0.381 4.731 4.350 -0.000 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 0.503 30.512 29.700 0.514 0.000 1.161 212 E HN 0.528 nan 8.360 nan 0.000 0.453 213 G N -0.318 108.766 108.800 0.474 0.000 4.291 213 G HA2 0.235 4.195 3.960 -0.000 0.000 0.304 213 G HA3 0.235 4.195 3.960 -0.000 0.000 0.304 213 G C 0.937 176.052 174.900 0.358 0.000 1.264 213 G CA 0.113 45.515 45.100 0.504 0.000 1.039 213 G HN 0.476 nan 8.290 nan 0.000 0.578 214 G N 0.802 109.831 108.800 0.381 0.000 2.462 214 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 214 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 214 G C 1.639 176.537 174.900 -0.004 0.000 1.121 214 G CA 0.471 45.589 45.100 0.030 0.000 0.758 214 G HN 0.473 nan 8.290 nan 0.000 0.559 215 L N 0.318 121.642 121.223 0.168 0.000 2.042 215 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 215 L C 2.589 179.476 176.870 0.028 0.000 1.076 215 L CA 1.408 56.316 54.840 0.114 0.000 0.749 215 L CB -0.378 41.855 42.059 0.290 0.000 0.893 215 L HN 0.174 nan 8.230 nan 0.000 0.432 216 D N 0.295 120.695 120.400 -0.001 0.000 2.149 216 D HA -0.183 4.457 4.640 -0.000 0.000 0.198 216 D C 2.116 178.287 176.300 -0.214 0.000 0.990 216 D CA 1.460 55.391 54.000 -0.115 0.000 0.839 216 D CB 0.250 40.874 40.800 -0.294 0.000 0.948 216 D HN 0.272 nan 8.370 nan 0.000 0.460 217 A N 0.609 123.289 122.820 -0.234 0.000 1.933 217 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 217 A C 2.242 179.573 177.584 -0.422 0.000 1.175 217 A CA 1.660 53.477 52.037 -0.368 0.000 0.628 217 A CB -0.451 18.473 19.000 -0.127 0.000 0.814 217 A HN 0.198 nan 8.150 nan 0.000 0.444 218 M N -0.840 118.612 119.600 -0.245 0.000 2.115 218 M HA -0.203 4.277 4.480 -0.000 0.000 0.258 218 M C 2.329 178.480 176.300 -0.248 0.000 1.071 218 M CA 1.662 56.841 55.300 -0.202 0.000 1.100 218 M CB -1.402 31.111 32.600 -0.146 0.000 1.292 218 M HN 0.345 nan 8.290 nan 0.000 0.415 219 M N 0.142 119.618 119.600 -0.207 0.000 2.082 219 M HA -0.230 4.250 4.480 -0.000 0.000 0.258 219 M C 2.187 178.314 176.300 -0.287 0.000 1.071 219 M CA 1.840 57.023 55.300 -0.196 0.000 1.103 219 M CB -1.551 30.988 32.600 -0.100 0.000 1.307 219 M HN 0.398 nan 8.290 nan 0.000 0.409 220 Q N -0.494 119.071 119.800 -0.393 0.000 2.217 220 Q HA -0.172 4.168 4.340 -0.000 0.000 0.209 220 Q C 2.159 177.883 176.000 -0.460 0.000 0.988 220 Q CA 1.530 57.047 55.803 -0.477 0.000 0.878 220 Q CB -0.410 27.942 28.738 -0.645 0.000 0.909 220 Q HN 0.353 nan 8.270 nan 0.000 0.424 221 V N 0.879 120.480 119.914 -0.522 0.000 2.216 221 V HA -0.211 3.909 4.120 -0.000 0.000 0.242 221 V C 1.376 177.377 176.094 -0.155 0.000 1.042 221 V CA 1.733 63.878 62.300 -0.259 0.000 0.991 221 V CB -0.657 31.023 31.823 -0.238 0.000 0.633 221 V HN 0.375 nan 8.190 nan 0.000 0.449 222 A N -0.992 121.672 122.820 -0.260 0.000 3.135 222 A HA 0.642 4.962 4.320 -0.000 0.000 0.253 222 A C 1.091 178.515 177.584 -0.266 0.000 1.638 222 A CA 0.725 52.552 52.037 -0.349 0.000 1.295 222 A CB -0.413 18.317 19.000 -0.451 0.000 1.106 222 A HN 0.557 nan 8.150 nan 0.000 0.648 223 A N -0.672 122.023 122.820 -0.207 0.000 1.964 223 A HA 0.334 4.653 4.320 -0.000 0.000 0.198 223 A C 0.963 178.452 177.584 -0.157 0.000 1.599 223 A CA 1.057 52.979 52.037 -0.191 0.000 0.968 223 A CB -0.053 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 -2.587 115.939 118.600 -0.124 0.000 3.452 224 c HA 0.592 5.162 4.570 -0.000 0.000 0.251 224 c C -2.625 171.459 174.090 -0.010 0.000 1.160 224 c CA -1.641 54.639 56.329 -0.081 0.000 1.328 224 c CB 0.146 42.584 42.510 -0.119 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 1.227 178.575 177.300 0.080 0.000 1.211 225 P CA 1.155 64.349 63.100 0.157 0.000 0.760 225 P CB -0.000 31.874 31.700 0.291 0.000 0.961 226 E N -0.086 120.133 120.200 0.033 0.000 2.478 226 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 226 E C 0.937 177.547 176.600 0.017 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 0.010 0.000 0.818 226 E HN 0.502 nan 8.360 nan 0.000 0.527 227 E N -1.016 119.189 120.200 0.008 0.000 2.603 227 E HA 0.162 4.512 4.350 -0.000 0.000 0.224 227 E C 1.397 177.969 176.600 -0.046 0.000 0.896 227 E CA -0.024 56.373 56.400 -0.006 0.000 1.224 227 E CB 0.751 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 0.283 120.820 120.570 -0.054 0.000 3.883 228 I HA 0.224 4.394 4.170 -0.000 0.000 0.305 228 I C 0.826 176.904 176.117 -0.064 0.000 1.247 228 I CA 0.388 61.588 61.300 -0.167 0.000 1.350 228 I CB 0.824 38.726 38.000 -0.164 0.000 1.194 228 I HN 0.100 nan 8.210 nan 0.000 0.441 229 G N 1.111 109.934 108.800 0.039 0.000 2.850 229 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 229 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 229 G C -1.363 173.510 174.900 -0.045 0.000 1.164 229 G CA -0.718 44.406 45.100 0.041 0.000 0.826 229 G HN 0.225 nan 8.290 nan 0.000 0.586 230 W N 1.246 122.563 121.300 0.028 0.000 3.372 230 W HA 0.635 5.295 4.660 -0.000 0.000 0.315 230 W C 0.162 176.695 176.519 0.025 0.000 1.223 230 W CA -1.125 56.237 57.345 0.029 0.000 1.202 230 W CB 1.619 31.075 29.460 -0.006 0.000 1.367 230 W HN 0.832 nan 8.180 nan 0.000 0.531 231 R N 1.665 122.341 120.500 0.293 0.000 2.694 231 R HA 0.081 4.421 4.340 -0.000 0.000 0.268 231 R C 0.757 177.163 176.300 0.175 0.000 1.061 231 R CA 0.444 56.656 56.100 0.187 0.000 1.133 231 R CB 0.360 30.756 30.300 0.160 0.000 1.020 231 R HN 0.417 nan 8.270 nan 0.000 0.475 232 N N 1.603 120.368 118.700 0.108 0.000 2.313 232 N HA 0.074 4.814 4.740 -0.000 0.000 0.207 232 N C -0.293 175.243 175.510 0.044 0.000 1.141 232 N CA 0.094 53.185 53.050 0.068 0.000 0.830 232 N CB 0.385 38.901 38.487 0.049 0.000 1.008 232 N HN 0.365 nan 8.380 nan 0.000 0.481 233 V N -1.898 118.056 119.914 0.066 0.000 3.949 233 V HA 0.313 4.433 4.120 -0.000 0.000 0.195 233 V C 0.547 176.667 176.094 0.043 0.000 1.114 233 V CA 0.234 62.557 62.300 0.039 0.000 1.384 233 V CB 0.129 32.000 31.823 0.080 0.000 1.685 233 V HN 0.065 nan 8.190 nan 0.000 0.492 234 T N 1.721 116.337 114.554 0.103 0.000 2.925 234 T HA 0.677 5.027 4.350 -0.000 0.000 0.285 234 T C -0.616 174.179 174.700 0.158 0.000 1.021 234 T CA -0.401 61.761 62.100 0.104 0.000 1.042 234 T CB 1.250 70.210 68.868 0.154 0.000 1.037 234 T HN 0.311 nan 8.240 nan 0.000 0.481 235 R N 1.797 122.361 120.500 0.107 0.000 2.810 235 R HA 0.347 4.686 4.340 -0.000 0.000 0.280 235 R C -1.793 174.557 176.300 0.084 0.000 1.517 235 R CA -0.711 55.507 56.100 0.196 0.000 1.063 235 R CB 0.685 30.947 30.300 -0.063 0.000 1.275 235 R HN 0.260 nan 8.270 nan 0.000 0.464 236 L N 3.305 124.621 121.223 0.154 0.000 2.307 236 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 236 L C -0.478 176.482 176.870 0.150 0.000 1.023 236 L CA -0.560 54.317 54.840 0.062 0.000 0.810 236 L CB 1.327 43.385 42.059 -0.000 0.000 1.231 236 L HN 0.347 nan 8.230 nan 0.000 0.423 237 L N 2.874 124.138 121.223 0.068 0.000 2.298 237 L HA 0.791 5.131 4.340 -0.000 0.000 0.268 237 L C -0.701 176.179 176.870 0.017 0.000 1.010 237 L CA -0.703 54.210 54.840 0.121 0.000 0.812 237 L CB 2.148 44.260 42.059 0.087 0.000 1.331 237 L HN 0.297 nan 8.230 nan 0.000 0.450 238 V N 1.029 120.960 119.914 0.027 0.000 2.610 238 V HA 0.450 4.570 4.120 -0.000 0.000 0.298 238 V C -1.505 174.546 176.094 -0.072 0.000 1.067 238 V CA -0.476 61.784 62.300 -0.067 0.000 0.894 238 V CB 1.399 33.173 31.823 -0.081 0.000 1.015 238 V HN 0.490 nan 8.190 nan 0.000 0.432 239 F N 5.997 125.814 119.950 -0.221 0.000 2.396 239 F HA 0.816 5.343 4.527 -0.000 0.000 0.343 239 F C 0.441 176.176 175.800 -0.109 0.000 1.104 239 F CA 0.381 58.296 58.000 -0.143 0.000 1.161 239 F CB 1.546 40.429 39.000 -0.195 0.000 1.146 239 F HN 0.778 nan 8.300 nan 0.000 0.522 240 A N 4.018 126.591 122.820 -0.413 0.000 2.414 240 A HA 0.643 4.963 4.320 -0.000 0.000 0.286 240 A C -0.800 176.651 177.584 -0.222 0.000 1.073 240 A CA -0.377 51.517 52.037 -0.238 0.000 0.727 240 A CB 1.377 20.211 19.000 -0.277 0.000 1.215 240 A HN 0.723 nan 8.150 nan 0.000 0.430 241 T N 1.171 115.711 114.554 -0.023 0.000 3.289 241 T HA 0.393 4.743 4.350 -0.000 0.000 0.370 241 T C -1.745 173.068 174.700 0.188 0.000 1.546 241 T CA -0.050 62.094 62.100 0.073 0.000 1.144 241 T CB 0.946 69.923 68.868 0.182 0.000 1.379 241 T HN 0.778 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 5.021 4.640 -0.000 0.000 0.243 242 D C -0.119 176.290 176.300 0.182 0.000 1.270 242 D CA -0.187 53.909 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 0.410 5.050 4.640 -0.000 0.000 0.283 243 D C 0.637 177.151 176.300 0.357 0.000 1.242 243 D CA -0.828 53.326 54.000 0.257 0.000 0.863 243 D CB 1.247 42.192 40.800 0.241 0.000 1.382 243 D HN 0.142 nan 8.370 nan 0.000 0.444 244 G N -0.547 108.425 108.800 0.288 0.000 2.481 244 G HA2 0.499 4.459 3.960 -0.000 0.000 0.251 244 G HA3 0.499 4.459 3.960 -0.000 0.000 0.251 244 G C -0.719 174.518 174.900 0.561 0.000 1.492 244 G CA -0.056 45.237 45.100 0.322 0.000 1.060 244 G HN 0.430 nan 8.290 nan 0.000 0.553 245 F N -2.805 117.192 119.950 0.079 0.000 2.670 245 F HA 0.505 5.032 4.527 -0.000 0.000 0.332 245 F C -1.274 174.504 175.800 -0.036 0.000 1.179 245 F CA -1.573 56.528 58.000 0.168 0.000 1.076 245 F CB 0.142 39.277 39.000 0.224 0.000 1.322 245 F HN 0.414 nan 8.300 nan 0.000 0.515 246 H N 3.779 122.825 119.070 -0.041 0.000 2.527 246 H HA 0.659 5.215 4.556 -0.000 0.000 0.321 246 H C -0.437 174.719 175.328 -0.287 0.000 1.087 246 H CA -0.110 55.660 56.048 -0.464 0.000 1.337 246 H CB 1.038 30.474 29.762 -0.545 0.000 1.440 246 H HN 0.585 nan 8.280 nan 0.000 0.490 247 F N 0.169 120.053 119.950 -0.110 0.000 2.671 247 F HA 0.778 5.305 4.527 -0.000 0.000 0.373 247 F C 0.477 176.281 175.800 0.006 0.000 1.122 247 F CA -1.851 56.166 58.000 0.028 0.000 1.082 247 F CB 0.058 39.067 39.000 0.015 0.000 1.399 247 F HN 0.518 nan 8.300 nan 0.000 0.509 248 A N 0.028 123.060 122.820 0.353 0.000 2.577 248 A HA 0.394 4.714 4.320 -0.000 0.000 0.233 248 A C 1.437 179.116 177.584 0.158 0.000 1.076 248 A CA 1.007 53.170 52.037 0.211 0.000 0.767 248 A CB -1.208 17.873 19.000 0.136 0.000 1.017 248 A HN 2.170 nan 8.150 nan 0.000 0.511 249 G N 0.579 109.431 108.800 0.086 0.000 2.358 249 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.224 249 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.224 249 G C 0.611 175.520 174.900 0.016 0.000 1.073 249 G CA 0.868 45.999 45.100 0.052 0.000 0.635 249 G HN 0.693 nan 8.290 nan 0.000 0.509 250 D N 1.203 121.579 120.400 -0.040 0.000 2.310 250 D HA 0.139 4.779 4.640 -0.000 0.000 0.212 250 D C 2.362 178.731 176.300 0.115 0.000 0.965 250 D CA 1.440 55.410 54.000 -0.050 0.000 0.879 250 D CB -0.800 39.900 40.800 -0.167 0.000 0.921 250 D HN 0.591 nan 8.370 nan 0.000 0.510 251 G N 0.740 109.639 108.800 0.165 0.000 2.443 251 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 251 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 251 G C 1.496 176.482 174.900 0.144 0.000 1.131 251 G CA 0.462 45.702 45.100 0.233 0.000 0.775 251 G HN 0.269 nan 8.290 nan 0.000 0.547 252 K N 0.006 120.456 120.400 0.083 0.000 2.281 252 K HA 0.036 4.355 4.320 -0.000 0.000 0.203 252 K C 2.290 178.923 176.600 0.054 0.000 1.046 252 K CA 0.559 56.877 56.287 0.053 0.000 0.938 252 K CB -0.203 32.313 32.500 0.027 0.000 0.737 252 K HN 0.357 nan 8.250 nan 0.000 0.458 253 L N -0.549 120.712 121.223 0.064 0.000 2.093 253 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 253 L C 2.081 179.000 176.870 0.082 0.000 1.085 253 L CA 1.236 56.098 54.840 0.037 0.000 0.755 253 L CB -0.312 41.726 42.059 -0.034 0.000 0.904 253 L HN 0.271 nan 8.230 nan 0.000 0.435 254 G N -1.231 107.667 108.800 0.163 0.000 3.379 254 G HA2 0.321 4.280 3.960 -0.000 0.000 0.253 254 G HA3 0.321 4.280 3.960 -0.000 0.000 0.253 254 G C 0.948 175.913 174.900 0.108 0.000 1.262 254 G CA 0.301 45.501 45.100 0.166 0.000 0.959 254 G HN 0.409 nan 8.290 nan 0.000 0.524 255 A N -0.273 122.594 122.820 0.079 0.000 2.822 255 A HA -0.197 4.123 4.320 -0.000 0.000 0.287 255 A C 0.502 178.120 177.584 0.056 0.000 1.479 255 A CA 1.195 53.266 52.037 0.057 0.000 0.779 255 A CB -2.481 16.551 19.000 0.053 0.000 1.022 255 A HN 1.399 nan 8.150 nan 0.000 0.532 256 I N -4.059 116.547 120.570 0.060 0.000 2.439 256 I HA 0.682 4.852 4.170 -0.000 0.000 0.283 256 I C 0.052 176.185 176.117 0.025 0.000 1.023 256 I CA -1.076 60.251 61.300 0.045 0.000 1.100 256 I CB 1.492 39.523 38.000 0.052 0.000 1.238 256 I HN -0.084 nan 8.210 nan 0.000 0.445 257 L N 5.111 126.342 121.223 0.013 0.000 3.110 257 L HA 0.241 4.581 4.340 -0.000 0.000 0.266 257 L C 0.713 177.574 176.870 -0.015 0.000 1.257 257 L CA 0.184 55.024 54.840 0.000 0.000 1.038 257 L CB 0.393 42.456 42.059 0.006 0.000 1.395 257 L HN 0.752 nan 8.230 nan 0.000 0.566 258 T N -1.413 113.126 114.554 -0.024 0.000 2.738 258 T HA 0.504 4.853 4.350 -0.000 0.000 0.298 258 T C -2.390 172.244 174.700 -0.109 0.000 0.962 258 T CA -1.849 60.232 62.100 -0.031 0.000 0.972 258 T CB 0.870 69.744 68.868 0.011 0.000 0.928 258 T HN -0.129 nan 8.240 nan 0.000 0.474 259 P HA 0.096 nan 4.420 nan 0.000 0.274 259 P C -0.113 177.046 177.300 -0.234 0.000 1.264 259 P CA -0.629 62.377 63.100 -0.155 0.000 0.795 259 P CB 0.570 32.229 31.700 -0.068 0.000 1.064 260 N N 1.217 119.769 118.700 -0.247 0.000 2.442 260 N HA -0.036 4.704 4.740 -0.000 0.000 0.265 260 N C 0.817 176.425 175.510 0.165 0.000 1.138 260 N CA 0.059 53.056 53.050 -0.087 0.000 0.956 260 N CB 0.278 38.758 38.487 -0.012 0.000 1.067 260 N HN 0.348 nan 8.380 nan 0.000 0.474 261 D N 3.196 123.807 120.400 0.352 0.000 2.137 261 D HA 0.012 4.652 4.640 -0.000 0.000 0.202 261 D C 1.124 177.514 176.300 0.150 0.000 0.970 261 D CA 1.405 55.531 54.000 0.210 0.000 0.837 261 D CB -0.114 40.821 40.800 0.225 0.000 0.981 261 D HN 0.724 nan 8.370 nan 0.000 0.475 262 G N 0.154 109.046 108.800 0.154 0.000 2.336 262 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.194 262 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.194 262 G C 0.281 175.156 174.900 -0.041 0.000 0.999 262 G CA -0.224 44.909 45.100 0.055 0.000 0.669 262 G HN 0.396 nan 8.290 nan 0.000 0.482 263 R N 0.589 121.051 120.500 -0.063 0.000 2.460 263 R HA 0.585 4.925 4.340 -0.000 0.000 0.303 263 R C 0.661 176.667 176.300 -0.489 0.000 0.968 263 R CA -0.051 55.908 56.100 -0.236 0.000 0.889 263 R CB 1.562 31.746 30.300 -0.194 0.000 1.123 263 R HN 0.570 nan 8.270 nan 0.000 0.455 264 c N 1.588 119.885 118.600 -0.505 0.000 2.463 264 c HA 0.461 5.031 4.570 -0.000 0.000 0.380 264 c C -0.023 173.688 174.090 -0.633 0.000 1.264 264 c CA -0.740 55.309 56.329 -0.467 0.000 2.161 264 c CB 0.216 42.559 42.510 -0.279 0.000 2.515 264 c HN 0.767 nan 8.230 nan 0.000 0.565 265 H N 4.259 123.282 119.070 -0.079 0.000 2.569 265 H HA 0.418 4.973 4.556 -0.000 0.000 0.247 265 H C -0.545 174.779 175.328 -0.007 0.000 1.346 265 H CA -0.160 55.865 56.048 -0.038 0.000 1.502 265 H CB 0.699 30.433 29.762 -0.046 0.000 1.512 265 H HN 0.777 nan 8.280 nan 0.000 0.502 266 L N -1.211 120.062 121.223 0.083 0.000 2.334 266 L HA 0.535 4.875 4.340 -0.000 0.000 0.270 266 L C 1.049 177.958 176.870 0.066 0.000 1.018 266 L CA -0.399 54.495 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 0.369 120.599 120.200 0.050 0.000 2.508 267 E HA 0.036 4.386 4.350 -0.000 0.000 0.217 267 E C -0.692 175.925 176.600 0.029 0.000 0.896 267 E CA 0.553 56.974 56.400 0.034 0.000 1.118 267 E CB 0.634 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 0.060 120.479 120.400 0.033 0.000 2.997 268 D HA 0.113 4.753 4.640 -0.000 0.000 0.362 268 D C -0.299 176.028 176.300 0.045 0.000 1.298 268 D CA -0.583 53.433 54.000 0.027 0.000 0.756 268 D CB -0.812 39.992 40.800 0.005 0.000 1.216 268 D HN -0.169 nan 8.370 nan 0.000 0.496 269 N N 0.289 119.033 118.700 0.074 0.000 2.678 269 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 269 N C -0.604 174.972 175.510 0.109 0.000 1.119 269 N CA 0.738 53.856 53.050 0.113 0.000 0.718 269 N CB -0.916 37.650 38.487 0.132 0.000 1.060 269 N HN 0.696 nan 8.380 nan 0.000 0.552 270 L N 0.221 121.518 121.223 0.124 0.000 2.543 270 L HA 0.337 4.676 4.340 -0.000 0.000 0.265 270 L C -0.232 176.743 176.870 0.175 0.000 0.945 270 L CA -1.180 53.755 54.840 0.160 0.000 0.869 270 L CB 1.058 43.145 42.059 0.047 0.000 1.294 270 L HN 0.158 nan 8.230 nan 0.000 0.405 271 Y N 3.315 123.744 120.300 0.216 0.000 2.712 271 Y HA 0.239 4.789 4.550 -0.000 0.000 0.333 271 Y C -0.157 175.801 175.900 0.097 0.000 1.225 271 Y CA 0.030 58.225 58.100 0.158 0.000 1.499 271 Y CB 0.450 39.018 38.460 0.179 0.000 1.288 271 Y HN 0.549 nan 8.280 nan 0.000 0.575 272 K N 4.147 124.490 120.400 -0.095 0.000 2.895 272 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 272 K C 0.213 176.811 176.600 -0.003 0.000 1.133 272 K CA -0.272 55.915 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 0.667 nan 8.250 nan 0.000 0.451 273 R N -0.535 120.016 120.500 0.085 0.000 2.412 273 R HA 0.042 4.382 4.340 -0.000 0.000 0.212 273 R C 1.918 178.280 176.300 0.103 0.000 0.878 273 R CA 0.648 56.783 56.100 0.058 0.000 1.022 273 R CB 0.091 30.384 30.300 -0.011 0.000 1.265 273 R HN 0.166 nan 8.270 nan 0.000 0.620 274 S N 1.486 117.292 115.700 0.176 0.000 2.462 274 S HA -0.125 4.345 4.470 -0.000 0.000 0.243 274 S C 1.307 176.019 174.600 0.186 0.000 1.003 274 S CA 1.279 59.580 58.200 0.168 0.000 0.970 274 S CB -0.169 63.065 63.200 0.057 0.000 0.762 274 S HN 0.168 nan 8.310 nan 0.000 0.510 275 N N 1.916 120.725 118.700 0.181 0.000 2.207 275 N HA 0.031 4.771 4.740 -0.000 0.000 0.182 275 N C 0.412 175.995 175.510 0.122 0.000 1.020 275 N CA 1.094 54.220 53.050 0.127 0.000 0.858 275 N CB -0.374 38.179 38.487 0.109 0.000 0.991 275 N HN 0.589 nan 8.380 nan 0.000 0.427 276 E N -0.091 120.192 120.200 0.139 0.000 2.354 276 E HA 0.254 4.604 4.350 -0.000 0.000 0.252 276 E C -1.001 175.730 176.600 0.217 0.000 1.330 276 E CA -0.224 56.255 56.400 0.132 0.000 1.658 276 E CB -0.399 29.357 29.700 0.094 0.000 1.460 276 E HN 0.216 nan 8.360 nan 0.000 0.435 277 F N -0.171 119.780 119.950 0.001 0.000 2.704 277 F HA 0.300 4.827 4.527 -0.000 0.000 0.312 277 F C -1.769 174.007 175.800 -0.040 0.000 1.108 277 F CA -1.204 56.788 58.000 -0.012 0.000 1.005 277 F CB 1.394 40.386 39.000 -0.013 0.000 1.277 277 F HN -0.144 nan 8.300 nan 0.000 0.445 278 D N 2.559 122.435 120.400 -0.873 0.000 2.340 278 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 278 D C -0.982 174.849 176.300 -0.782 0.000 1.080 278 D CA 0.082 53.746 54.000 -0.560 0.000 0.971 278 D CB 0.848 41.473 40.800 -0.292 0.000 1.137 278 D HN 0.464 nan 8.370 nan 0.000 0.475 279 Y N 0.757 120.870 120.300 -0.312 0.000 2.597 279 Y HA 0.177 4.727 4.550 -0.000 0.000 0.336 279 Y C -1.461 174.376 175.900 -0.105 0.000 1.216 279 Y CA -1.265 56.759 58.100 -0.127 0.000 1.463 279 Y CB 0.328 38.785 38.460 -0.004 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 -0.590 176.803 177.300 0.154 0.000 1.209 280 P CA -0.213 62.961 63.100 0.123 0.000 0.763 280 P CB 0.521 32.299 31.700 0.131 0.000 0.816 281 S N 2.260 118.015 115.700 0.092 0.000 2.569 281 S HA -0.028 4.442 4.470 -0.000 0.000 0.274 281 S C 1.420 176.059 174.600 0.064 0.000 1.353 281 S CA -0.311 57.937 58.200 0.081 0.000 1.023 281 S CB 0.327 63.539 63.200 0.021 0.000 0.876 281 S HN 0.310 nan 8.310 nan 0.000 0.540 282 V N 2.643 122.558 119.914 0.002 0.000 2.332 282 V HA -0.013 4.107 4.120 -0.000 0.000 0.248 282 V C 2.104 178.177 176.094 -0.035 0.000 1.055 282 V CA 2.626 64.899 62.300 -0.045 0.000 1.038 282 V CB -1.407 30.285 31.823 -0.218 0.000 0.651 282 V HN 1.084 nan 8.190 nan 0.000 0.450 283 G N -1.584 107.186 108.800 -0.049 0.000 2.920 283 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.208 283 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.208 283 G C 1.292 176.178 174.900 -0.023 0.000 1.159 283 G CA 0.530 45.602 45.100 -0.046 0.000 0.784 283 G HN 0.614 nan 8.290 nan 0.000 0.535 284 Q N -0.371 119.426 119.800 -0.005 0.000 2.444 284 Q HA 0.262 4.602 4.340 -0.000 0.000 0.206 284 Q C 1.725 177.740 176.000 0.025 0.000 0.948 284 Q CA 0.186 55.999 55.803 0.016 0.000 0.946 284 Q CB -0.026 28.727 28.738 0.025 0.000 1.027 284 Q HN 0.503 nan 8.270 nan 0.000 0.513 285 L N -1.442 119.780 121.223 -0.002 0.000 2.435 285 L HA 0.280 4.620 4.340 -0.000 0.000 0.195 285 L C 2.256 179.092 176.870 -0.056 0.000 1.072 285 L CA 0.593 55.410 54.840 -0.039 0.000 0.833 285 L CB -0.565 41.460 42.059 -0.057 0.000 1.081 285 L HN 0.139 nan 8.230 nan 0.000 0.485 286 A N -0.530 122.260 122.820 -0.050 0.000 2.148 286 A HA -0.283 4.037 4.320 -0.000 0.000 0.222 286 A C 2.088 179.640 177.584 -0.055 0.000 1.161 286 A CA 1.951 53.944 52.037 -0.073 0.000 0.662 286 A CB -0.957 18.000 19.000 -0.072 0.000 0.799 286 A HN 0.569 nan 8.150 nan 0.000 0.466 287 H N -1.008 117.994 119.070 -0.112 0.000 2.283 287 H HA 0.018 4.574 4.556 -0.000 0.000 0.320 287 H C 2.161 177.422 175.328 -0.112 0.000 1.074 287 H CA 1.513 57.496 56.048 -0.107 0.000 1.476 287 H CB -0.073 29.638 29.762 -0.086 0.000 1.465 287 H HN 0.321 nan 8.280 nan 0.000 0.573 288 K N 1.050 121.377 120.400 -0.122 0.000 2.044 288 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 288 K C 2.446 178.905 176.600 -0.234 0.000 1.049 288 K CA 1.595 57.766 56.287 -0.194 0.000 0.927 288 K CB -0.950 31.519 32.500 -0.051 0.000 0.713 288 K HN 0.254 nan 8.250 nan 0.000 0.443 289 L N 0.497 121.605 121.223 -0.192 0.000 1.970 289 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 289 L C 2.092 178.814 176.870 -0.247 0.000 1.071 289 L CA 2.521 57.227 54.840 -0.224 0.000 0.751 289 L CB -1.173 40.771 42.059 -0.191 0.000 0.889 289 L HN 0.257 nan 8.230 nan 0.000 0.432 290 A N -1.476 121.207 122.820 -0.229 0.000 2.172 290 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 290 A C 2.243 179.681 177.584 -0.243 0.000 1.154 290 A CA 1.376 53.276 52.037 -0.229 0.000 0.701 290 A CB -0.709 18.165 19.000 -0.211 0.000 0.789 290 A HN 0.685 nan 8.150 nan 0.000 0.465 291 E N 0.103 120.130 120.200 -0.287 0.000 2.122 291 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 291 E C 0.509 176.970 176.600 -0.233 0.000 0.977 291 E CA 0.782 57.013 56.400 -0.281 0.000 0.820 291 E CB -0.033 29.444 29.700 -0.372 0.000 0.770 291 E HN 0.506 nan 8.360 nan 0.000 0.462 292 N N 1.310 119.853 118.700 -0.261 0.000 2.313 292 N HA 0.036 4.776 4.740 -0.000 0.000 0.207 292 N C -0.839 174.498 175.510 -0.287 0.000 1.141 292 N CA 0.241 53.125 53.050 -0.277 0.000 0.830 292 N CB 0.000 38.277 38.487 -0.351 0.000 1.008 292 N HN 0.224 nan 8.380 nan 0.000 0.481 293 N N 0.040 118.591 118.700 -0.248 0.000 2.740 293 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 293 N C -1.084 174.269 175.510 -0.261 0.000 1.062 293 N CA 0.329 53.238 53.050 -0.235 0.000 0.704 293 N CB -1.150 37.223 38.487 -0.190 0.000 0.968 293 N HN 0.353 nan 8.380 nan 0.000 0.547 294 I N 0.482 120.875 120.570 -0.295 0.000 2.493 294 I HA 0.322 4.492 4.170 -0.000 0.000 0.298 294 I C -0.231 175.743 176.117 -0.238 0.000 0.998 294 I CA -0.615 60.506 61.300 -0.299 0.000 1.137 294 I CB 1.687 39.438 38.000 -0.416 0.000 1.310 294 I HN 0.003 nan 8.210 nan 0.000 0.445 295 Q N 6.015 125.696 119.800 -0.199 0.000 2.444 295 Q HA 0.394 4.734 4.340 -0.000 0.000 0.251 295 Q C -2.565 173.310 176.000 -0.209 0.000 0.939 295 Q CA -1.831 53.853 55.803 -0.199 0.000 0.740 295 Q CB 2.044 30.676 28.738 -0.176 0.000 1.308 295 Q HN 0.244 nan 8.270 nan 0.000 0.461 296 P HA 0.200 nan 4.420 nan 0.000 0.271 296 P C -0.220 176.813 177.300 -0.445 0.000 1.233 296 P CA 0.010 62.906 63.100 -0.340 0.000 0.789 296 P CB 0.776 32.191 31.700 -0.474 0.000 0.951 297 I N 1.671 122.013 120.570 -0.380 0.000 2.495 297 I HA 0.235 4.404 4.170 -0.000 0.000 0.277 297 I C -0.330 175.629 176.117 -0.264 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 4.785 124.673 119.950 -0.104 0.000 2.602 298 F HA 0.264 4.791 4.527 -0.000 0.000 0.385 298 F C 0.959 176.703 175.800 -0.094 0.000 1.063 298 F CA 0.004 57.897 58.000 -0.178 0.000 1.233 298 F CB 0.346 39.200 39.000 -0.242 0.000 1.067 298 F HN 0.491 nan 8.300 nan 0.000 0.564 299 A N 4.092 126.965 122.820 0.089 0.000 2.684 299 A HA 0.672 4.992 4.320 -0.000 0.000 0.289 299 A C -0.822 176.813 177.584 0.085 0.000 1.139 299 A CA -0.343 51.742 52.037 0.080 0.000 0.793 299 A CB 0.414 19.443 19.000 0.048 0.000 1.334 299 A HN 0.862 nan 8.150 nan 0.000 0.408 300 V N -0.573 119.421 119.914 0.132 0.000 3.069 300 V HA 0.889 5.009 4.120 -0.000 0.000 0.312 300 V C 0.345 176.536 176.094 0.162 0.000 1.369 300 V CA -0.228 62.176 62.300 0.173 0.000 1.047 300 V CB 0.789 32.798 31.823 0.311 0.000 1.098 300 V HN 1.264 nan 8.190 nan 0.000 0.473 301 T N -0.567 114.087 114.554 0.167 0.000 2.802 301 T HA 0.233 4.582 4.350 -0.000 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 0.716 69.654 68.868 0.118 0.000 0.988 301 T HN 1.819 nan 8.240 nan 0.000 0.539 302 S N -0.078 115.677 115.700 0.092 0.000 2.481 302 S HA -0.093 4.377 4.470 -0.000 0.000 0.231 302 S C 1.881 176.522 174.600 0.069 0.000 0.996 302 S CA 0.248 58.494 58.200 0.077 0.000 0.942 302 S CB -0.520 62.716 63.200 0.060 0.000 0.768 302 S HN 0.769 nan 8.310 nan 0.000 0.520 303 R N 0.199 120.743 120.500 0.073 0.000 2.193 303 R HA 0.189 4.529 4.340 -0.000 0.000 0.213 303 R C 0.811 177.146 176.300 0.058 0.000 1.055 303 R CA 0.843 56.979 56.100 0.059 0.000 0.995 303 R CB -0.046 30.291 30.300 0.061 0.000 0.893 303 R HN 0.384 nan 8.270 nan 0.000 0.459 304 M N 0.357 120.014 119.600 0.095 0.000 2.685 304 M HA 0.058 4.538 4.480 -0.000 0.000 0.355 304 M C 1.097 177.474 176.300 0.129 0.000 1.197 304 M CA 0.056 55.406 55.300 0.083 0.000 0.947 304 M CB 1.027 33.744 32.600 0.196 0.000 1.346 304 M HN -0.025 nan 8.290 nan 0.000 0.516 305 V N 1.103 121.079 119.914 0.103 0.000 2.446 305 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 305 V C 1.792 177.916 176.094 0.050 0.000 1.039 305 V CA 1.746 64.114 62.300 0.112 0.000 1.045 305 V CB 0.108 31.983 31.823 0.088 0.000 0.681 305 V HN 0.415 nan 8.190 nan 0.000 0.459 306 K N -0.610 119.796 120.400 0.009 0.000 2.444 306 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 306 K C 1.741 178.304 176.600 -0.063 0.000 1.024 306 K CA 0.819 57.095 56.287 -0.018 0.000 1.077 306 K CB 0.222 32.717 32.500 -0.008 0.000 0.833 306 K HN 0.479 nan 8.250 nan 0.000 0.517 307 T N -0.856 113.628 114.554 -0.117 0.000 3.031 307 T HA -0.016 4.334 4.350 -0.000 0.000 0.254 307 T C 1.156 175.655 174.700 -0.336 0.000 1.060 307 T CA 0.634 62.617 62.100 -0.195 0.000 1.135 307 T CB 0.025 68.761 68.868 -0.219 0.000 0.896 307 T HN 0.120 nan 8.240 nan 0.000 0.472 308 Y N 1.321 121.449 120.300 -0.286 0.000 2.544 308 Y HA 0.280 4.830 4.550 -0.000 0.000 0.286 308 Y C 2.264 177.845 175.900 -0.531 0.000 1.141 308 Y CA 0.305 58.017 58.100 -0.645 0.000 1.299 308 Y CB -0.200 37.793 38.460 -0.778 0.000 1.030 308 Y HN 0.286 nan 8.280 nan 0.000 0.543 309 E N 0.837 120.956 120.200 -0.135 0.000 2.072 309 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 309 E C 1.840 178.391 176.600 -0.082 0.000 0.985 309 E CA 1.331 57.686 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 0.060 120.403 120.400 -0.094 0.000 2.283 310 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 310 K C 1.900 178.445 176.600 -0.092 0.000 1.048 310 K CA 0.531 56.773 56.287 -0.075 0.000 0.948 310 K CB -0.280 32.180 32.500 -0.066 0.000 0.742 310 K HN 0.233 nan 8.250 nan 0.000 0.458 311 L N 1.021 122.147 121.223 -0.163 0.000 2.313 311 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 311 L C 1.708 178.533 176.870 -0.076 0.000 1.119 311 L CA 1.587 56.323 54.840 -0.173 0.000 0.809 311 L CB -0.512 41.328 42.059 -0.365 0.000 0.933 311 L HN -0.005 nan 8.230 nan 0.000 0.449 312 T N -0.478 114.040 114.554 -0.061 0.000 2.821 312 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 312 T C 1.646 176.382 174.700 0.060 0.000 1.046 312 T CA 1.210 63.362 62.100 0.086 0.000 1.139 312 T CB -0.084 68.838 68.868 0.090 0.000 0.871 312 T HN 0.348 nan 8.240 nan 0.000 0.454 313 E N 1.035 121.245 120.200 0.016 0.000 2.049 313 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 313 E C 2.209 178.809 176.600 -0.000 0.000 1.007 313 E CA 0.926 57.333 56.400 0.011 0.000 0.809 313 E CB -0.363 29.331 29.700 -0.010 0.000 0.749 313 E HN 0.365 nan 8.360 nan 0.000 0.450 314 I N 1.207 121.766 120.570 -0.019 0.000 2.055 314 I HA -0.132 4.038 4.170 -0.000 0.000 0.228 314 I C 1.860 177.951 176.117 -0.044 0.000 1.050 314 I CA 0.353 61.630 61.300 -0.038 0.000 1.326 314 I CB -1.022 36.949 38.000 -0.048 0.000 1.077 314 I HN 0.081 nan 8.210 nan 0.000 0.392 315 I N 2.595 123.151 120.570 -0.024 0.000 2.752 315 I HA 0.010 4.180 4.170 -0.000 0.000 0.287 315 I C -2.021 174.066 176.117 -0.050 0.000 1.188 315 I CA -1.186 60.087 61.300 -0.044 0.000 1.427 315 I CB 0.971 38.966 38.000 -0.008 0.000 1.365 315 I HN 0.040 nan 8.210 nan 0.000 0.585 316 P HA 0.139 nan 4.420 nan 0.000 0.276 316 P C -1.404 175.882 177.300 -0.024 0.000 1.261 316 P CA -0.479 62.506 63.100 -0.193 0.000 0.800 316 P CB 0.294 31.650 31.700 -0.574 0.000 1.066 317 K N -0.561 119.953 120.400 0.190 0.000 4.838 317 K HA -0.061 4.259 4.320 -0.000 0.000 0.300 317 K C -0.691 175.913 176.600 0.005 0.000 0.861 317 K CA 0.679 57.047 56.287 0.135 0.000 0.929 317 K CB -2.160 30.375 32.500 0.058 0.000 1.772 317 K HN 0.683 nan 8.250 nan 0.000 0.422 318 S N -0.814 114.913 115.700 0.045 0.000 2.562 318 S HA 0.749 5.219 4.470 -0.000 0.000 0.274 318 S C -0.741 173.928 174.600 0.114 0.000 1.160 318 S CA -0.614 57.583 58.200 -0.005 0.000 0.933 318 S CB 2.291 65.519 63.200 0.046 0.000 1.100 318 S HN 0.537 nan 8.310 nan 0.000 0.468 319 A N 1.945 124.812 122.820 0.079 0.000 2.330 319 A HA 0.936 5.256 4.320 -0.000 0.000 0.329 319 A C -0.007 177.716 177.584 0.232 0.000 1.135 319 A CA -0.694 51.422 52.037 0.131 0.000 0.817 319 A CB 1.292 20.328 19.000 0.060 0.000 1.269 319 A HN 1.986 nan 8.150 nan 0.000 0.469 320 V N -0.994 119.030 119.914 0.184 0.000 2.435 320 V HA 0.876 4.996 4.120 -0.000 0.000 0.290 320 V C 0.147 176.318 176.094 0.127 0.000 1.030 320 V CA 0.070 62.478 62.300 0.179 0.000 0.881 320 V CB 1.137 33.033 31.823 0.122 0.000 0.983 320 V HN 1.414 nan 8.190 nan 0.000 0.445 321 G N 2.995 111.873 108.800 0.129 0.000 2.990 321 G HA2 0.413 4.373 3.960 -0.000 0.000 0.300 321 G HA3 0.413 4.373 3.960 -0.000 0.000 0.300 321 G C -0.573 174.388 174.900 0.102 0.000 1.498 321 G CA -0.330 44.831 45.100 0.101 0.000 1.074 321 G HN 0.811 nan 8.290 nan 0.000 0.542 322 E N 2.551 122.806 120.200 0.091 0.000 2.290 322 E HA 0.371 4.721 4.350 -0.000 0.000 0.277 322 E C -0.571 176.076 176.600 0.079 0.000 1.035 322 E CA -0.161 56.292 56.400 0.088 0.000 0.873 322 E CB 1.006 30.751 29.700 0.076 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 0.584 4.924 4.340 -0.000 0.000 0.253 323 L C -0.040 176.872 176.870 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 -0.412 115.324 115.700 0.061 0.000 2.600 324 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 324 S C 0.745 175.380 174.600 0.059 0.000 1.325 324 S CA -0.054 58.179 58.200 0.055 0.000 1.002 324 S CB 0.784 64.012 63.200 0.046 0.000 0.921 324 S HN 0.794 nan 8.310 nan 0.000 0.554 325 E N 1.028 121.260 120.200 0.054 0.000 2.512 325 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 325 E C 0.564 177.191 176.600 0.046 0.000 1.083 325 E CA 0.553 56.986 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 0.608 nan 8.360 nan 0.000 0.514 326 D N -1.961 118.465 120.400 0.044 0.000 2.407 326 D HA 0.050 4.690 4.640 -0.000 0.000 0.208 326 D C 0.048 176.375 176.300 0.044 0.000 1.083 326 D CA 0.271 54.292 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 -0.731 115.006 115.700 0.061 0.000 3.641 327 S HA -0.222 4.248 4.470 -0.000 0.000 0.346 327 S C 1.301 175.942 174.600 0.068 0.000 1.074 327 S CA 0.800 59.048 58.200 0.081 0.000 1.026 327 S CB -2.141 61.121 63.200 0.104 0.000 0.908 327 S HN 0.659 nan 8.310 nan 0.000 0.479 328 S N 1.290 117.021 115.700 0.053 0.000 2.404 328 S HA -0.049 4.421 4.470 -0.000 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 4.894 4.740 -0.000 0.000 0.269 329 N C 0.662 176.216 175.510 0.074 0.000 1.204 329 N CA -0.143 52.941 53.050 0.058 0.000 0.947 329 N CB 0.339 38.858 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 0.088 0.000 2.788 330 V HA -0.027 4.093 4.120 -0.000 0.000 0.251 330 V C 1.489 177.655 176.094 0.120 0.000 1.068 330 V CA 0.853 63.226 62.300 0.122 0.000 1.090 330 V CB 0.027 31.955 31.823 0.175 0.000 0.710 330 V HN 0.258 nan 8.190 nan 0.000 0.467 331 V N 0.001 119.971 119.914 0.093 0.000 2.871 331 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 331 V C 2.240 178.383 176.094 0.081 0.000 1.082 331 V CA 1.815 64.166 62.300 0.086 0.000 1.105 331 V CB -0.547 31.314 31.823 0.062 0.000 0.713 331 V HN 0.646 nan 8.190 nan 0.000 0.473 332 Q N -0.183 119.661 119.800 0.074 0.000 2.472 332 Q HA -0.015 4.325 4.340 -0.000 0.000 0.208 332 Q C 2.008 178.054 176.000 0.076 0.000 0.958 332 Q CA 0.628 56.473 55.803 0.070 0.000 0.932 332 Q CB -0.046 28.728 28.738 0.060 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N -0.006 121.266 121.223 0.081 0.000 2.046 333 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 333 L C 1.996 178.910 176.870 0.073 0.000 1.077 333 L CA 1.078 55.963 54.840 0.076 0.000 0.747 333 L CB -0.234 41.872 42.059 0.079 0.000 0.896 333 L HN 0.340 nan 8.230 nan 0.000 0.432 334 I N -0.624 119.999 120.570 0.089 0.000 3.059 334 I HA -0.146 4.024 4.170 -0.000 0.000 0.270 334 I C 2.330 178.542 176.117 0.157 0.000 1.238 334 I CA 0.333 61.695 61.300 0.103 0.000 1.478 334 I CB -0.136 37.941 38.000 0.129 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 0.127 0.000 2.283 335 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 335 K C 1.272 177.939 176.600 0.112 0.000 1.048 335 K CA 1.404 57.764 56.287 0.122 0.000 0.948 335 K CB -0.088 32.463 32.500 0.085 0.000 0.742 335 K HN 0.214 nan 8.250 nan 0.000 0.458 336 N N -0.311 118.446 118.700 0.094 0.000 2.254 336 N HA 0.152 4.892 4.740 -0.000 0.000 0.190 336 N C 0.888 176.438 175.510 0.068 0.000 1.107 336 N CA 0.699 53.797 53.050 0.079 0.000 0.869 336 N CB 0.491 39.018 38.487 0.068 0.000 0.983 336 N HN 0.232 nan 8.380 nan 0.000 0.487 337 A N 0.482 123.336 122.820 0.057 0.000 1.832 337 A HA -0.034 4.286 4.320 -0.000 0.000 0.214 337 A C 1.601 179.172 177.584 -0.020 0.000 1.242 337 A CA 0.842 52.864 52.037 -0.024 0.000 0.603 337 A CB -1.188 17.747 19.000 -0.109 0.000 0.902 337 A HN 0.220 nan 8.150 nan 0.000 0.455 338 Y N 0.750 121.081 120.300 0.052 0.000 2.365 338 Y HA -0.254 4.296 4.550 -0.000 0.000 0.287 338 Y C 2.507 178.441 175.900 0.056 0.000 1.162 338 Y CA 1.266 59.401 58.100 0.058 0.000 1.260 338 Y CB -0.333 38.160 38.460 0.056 0.000 0.976 338 Y HN 0.472 nan 8.280 nan 0.000 0.548 339 N N 0.770 119.580 118.700 0.183 0.000 2.061 339 N HA -0.188 4.552 4.740 -0.000 0.000 0.193 339 N C 0.808 176.377 175.510 0.099 0.000 1.030 339 N CA 1.662 54.786 53.050 0.123 0.000 0.856 339 N CB -0.007 38.536 38.487 0.094 0.000 1.023 339 N HN 0.102 nan 8.380 nan 0.000 0.424 340 K N -0.500 119.948 120.400 0.080 0.000 2.619 340 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 340 K C 0.402 177.032 176.600 0.049 0.000 1.090 340 K CA -0.175 56.148 56.287 0.061 0.000 1.063 340 K CB 0.590 33.121 32.500 0.051 0.000 0.810 340 K HN 0.150 nan 8.250 nan 0.000 0.506 341 L N -0.124 121.129 121.223 0.050 0.000 2.500 341 L HA 0.247 4.587 4.340 -0.000 0.000 0.219 341 L C 1.209 178.131 176.870 0.086 0.000 1.057 341 L CA 1.350 56.204 54.840 0.024 0.000 0.854 341 L CB 0.396 42.408 42.059 -0.077 0.000 1.078 341 L HN -0.130 nan 8.230 nan 0.000 0.480 342 S N -1.158 114.636 115.700 0.157 0.000 2.593 342 S HA 0.111 4.581 4.470 -0.000 0.000 0.217 342 S C 1.607 176.325 174.600 0.198 0.000 0.966 342 S CA 0.637 58.983 58.200 0.244 0.000 0.914 342 S CB 0.040 63.433 63.200 0.322 0.000 0.776 342 S HN 0.422 nan 8.310 nan 0.000 0.523 343 S N 1.064 116.839 115.700 0.125 0.000 2.497 343 S HA 0.190 4.660 4.470 -0.000 0.000 0.221 343 S C 0.730 175.340 174.600 0.017 0.000 1.037 343 S CA -0.179 58.071 58.200 0.084 0.000 0.920 343 S CB 0.249 63.487 63.200 0.064 0.000 0.800 343 S HN 0.353 nan 8.310 nan 0.000 0.505 344 R N 2.574 123.049 120.500 -0.041 0.000 2.612 344 R HA 0.220 4.560 4.340 -0.000 0.000 0.273 344 R C -1.037 175.050 176.300 -0.354 0.000 1.376 344 R CA -0.082 55.853 56.100 -0.274 0.000 1.171 344 R CB -0.015 30.092 30.300 -0.321 0.000 1.151 344 R HN 0.079 nan 8.270 nan 0.000 0.560 345 V N 5.064 124.827 119.914 -0.252 0.000 2.415 345 V HA 0.099 4.219 4.120 -0.000 0.000 0.267 345 V C 0.261 176.113 176.094 -0.404 0.000 1.042 345 V CA 0.365 62.527 62.300 -0.231 0.000 1.000 345 V CB -0.263 31.508 31.823 -0.088 0.000 1.015 345 V HN 0.433 nan 8.190 nan 0.000 0.478 346 F N 4.598 124.465 119.950 -0.139 0.000 2.432 346 F HA 0.652 5.179 4.527 -0.000 0.000 0.329 346 F C 0.200 175.770 175.800 -0.384 0.000 1.076 346 F CA -0.681 57.188 58.000 -0.219 0.000 1.018 346 F CB 1.834 40.779 39.000 -0.092 0.000 1.201 346 F HN 0.279 nan 8.300 nan 0.000 0.489 347 L N 2.538 123.618 121.223 -0.237 0.000 2.685 347 L HA 0.300 4.640 4.340 -0.000 0.000 0.297 347 L C -0.881 175.753 176.870 -0.393 0.000 1.367 347 L CA -0.014 54.572 54.840 -0.424 0.000 0.703 347 L CB -0.470 41.058 42.059 -0.885 0.000 1.039 347 L HN 0.448 nan 8.230 nan 0.000 0.529 348 D N 0.039 120.344 120.400 -0.159 0.000 2.469 348 D HA 0.529 5.169 4.640 -0.000 0.000 0.278 348 D C -0.110 176.314 176.300 0.207 0.000 1.231 348 D CA 0.110 54.088 54.000 -0.038 0.000 1.075 348 D CB 0.569 41.277 40.800 -0.154 0.000 1.121 348 D HN 0.434 nan 8.370 nan 0.000 0.571 349 H N -1.999 117.120 119.070 0.082 0.000 3.017 349 H HA 0.364 4.920 4.556 -0.000 0.000 0.346 349 H C -0.819 174.563 175.328 0.091 0.000 1.286 349 H CA -0.863 55.276 56.048 0.151 0.000 1.120 349 H CB 0.082 29.990 29.762 0.243 0.000 1.860 349 H HN 0.059 nan 8.280 nan 0.000 0.542 350 N N 0.030 118.844 118.700 0.191 0.000 2.407 350 N HA 0.189 4.929 4.740 -0.000 0.000 0.250 350 N C 0.130 175.664 175.510 0.040 0.000 1.236 350 N CA 0.423 53.529 53.050 0.094 0.000 0.879 350 N CB 0.375 38.955 38.487 0.154 0.000 1.088 350 N HN 0.710 nan 8.380 nan 0.000 0.450 351 A N 2.286 125.093 122.820 -0.022 0.000 2.512 351 A HA 0.125 4.445 4.320 -0.000 0.000 0.278 351 A C 0.239 177.827 177.584 0.007 0.000 1.128 351 A CA -0.215 51.798 52.037 -0.040 0.000 0.818 351 A CB -1.249 17.727 19.000 -0.041 0.000 1.044 351 A HN 0.588 nan 8.150 nan 0.000 0.526 352 L N 2.774 124.009 121.223 0.020 0.000 2.464 352 L HA 0.626 4.965 4.340 -0.000 0.000 0.264 352 L C -1.827 175.024 176.870 -0.033 0.000 1.199 352 L CA -1.758 53.064 54.840 -0.030 0.000 0.818 352 L CB -0.893 41.084 42.059 -0.137 0.000 1.102 352 L HN 0.418 nan 8.230 nan 0.000 0.473 353 P HA 0.049 nan 4.420 nan 0.000 0.269 353 P C -0.285 176.990 177.300 -0.042 0.000 1.215 353 P CA -0.143 62.938 63.100 -0.031 0.000 0.780 353 P CB 0.488 32.175 31.700 -0.023 0.000 0.898 354 D N -0.185 120.191 120.400 -0.039 0.000 2.265 354 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 354 D C 1.152 177.419 176.300 -0.055 0.000 0.977 354 D CA 1.538 55.510 54.000 -0.048 0.000 0.871 354 D CB -1.395 39.375 40.800 -0.051 0.000 0.925 354 D HN 0.452 nan 8.370 nan 0.000 0.485 355 T N -2.220 112.306 114.554 -0.048 0.000 3.227 355 T HA 0.212 4.562 4.350 -0.000 0.000 0.257 355 T C 0.704 175.376 174.700 -0.046 0.000 1.162 355 T CA -0.113 61.961 62.100 -0.044 0.000 1.051 355 T CB -0.444 68.405 68.868 -0.033 0.000 0.953 355 T HN 0.140 nan 8.240 nan 0.000 0.535 356 L N -0.196 120.991 121.223 -0.060 0.000 2.376 356 L HA 0.672 5.012 4.340 -0.000 0.000 0.258 356 L C -0.842 175.980 176.870 -0.080 0.000 1.013 356 L CA -1.280 53.513 54.840 -0.078 0.000 0.822 356 L CB 2.274 44.260 42.059 -0.122 0.000 1.388 356 L HN -0.181 nan 8.230 nan 0.000 0.413 357 K N 1.890 122.239 120.400 -0.085 0.000 2.535 357 K HA 0.644 4.964 4.320 -0.000 0.000 0.250 357 K C -1.509 175.020 176.600 -0.118 0.000 0.948 357 K CA -0.540 55.705 56.287 -0.070 0.000 0.796 357 K CB 2.738 35.220 32.500 -0.030 0.000 1.216 357 K HN 0.246 nan 8.250 nan 0.000 0.432 358 V N 1.679 121.505 119.914 -0.147 0.000 2.680 358 V HA 0.631 4.751 4.120 -0.000 0.000 0.309 358 V C 0.266 176.245 176.094 -0.192 0.000 1.052 358 V CA -0.602 61.534 62.300 -0.272 0.000 0.908 358 V CB 2.017 33.502 31.823 -0.563 0.000 1.001 358 V HN 1.022 nan 8.190 nan 0.000 0.431 359 T N 0.613 114.978 114.554 -0.314 0.000 2.804 359 T HA 0.843 5.193 4.350 -0.000 0.000 0.290 359 T C -1.357 173.069 174.700 -0.457 0.000 1.099 359 T CA -0.650 61.347 62.100 -0.173 0.000 1.011 359 T CB 2.003 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 -1.208 119.079 120.300 -0.023 0.000 2.689 360 Y HA 0.704 5.254 4.550 -0.000 0.000 0.333 360 Y C -0.912 175.011 175.900 0.039 0.000 1.190 360 Y CA -0.993 57.106 58.100 -0.002 0.000 1.063 360 Y CB 1.571 40.033 38.460 0.003 0.000 1.294 360 Y HN 0.709 nan 8.280 nan 0.000 0.466 361 D N -0.784 119.785 120.400 0.282 0.000 2.533 361 D HA 0.736 5.376 4.640 -0.000 0.000 0.247 361 D C -1.390 175.078 176.300 0.280 0.000 1.056 361 D CA -0.714 53.406 54.000 0.202 0.000 1.054 361 D CB 2.122 43.015 40.800 0.154 0.000 1.400 361 D HN 0.341 nan 8.370 nan 0.000 0.533 362 S N 0.033 115.807 115.700 0.123 0.000 2.677 362 S HA 0.473 4.943 4.470 -0.000 0.000 0.283 362 S C -1.319 173.209 174.600 -0.120 0.000 1.159 362 S CA -0.546 57.715 58.200 0.103 0.000 1.001 362 S CB 0.551 63.862 63.200 0.183 0.000 1.032 362 S HN 0.284 nan 8.310 nan 0.000 0.487 363 F N 1.845 121.748 119.950 -0.078 0.000 2.531 363 F HA 0.311 4.837 4.527 -0.000 0.000 0.333 363 F C 0.511 176.248 175.800 -0.105 0.000 1.292 363 F CA -0.637 57.317 58.000 -0.076 0.000 1.184 363 F CB 0.308 39.258 39.000 -0.084 0.000 1.426 363 F HN 0.481 nan 8.300 nan 0.000 0.559 364 c N 0.670 119.298 118.600 0.048 0.000 2.775 364 c HA 0.018 4.588 4.570 -0.000 0.000 0.391 364 c C 2.258 176.374 174.090 0.044 0.000 1.295 364 c CA 0.556 56.902 56.329 0.029 0.000 2.119 364 c CB 0.791 43.322 42.510 0.035 0.000 2.705 364 c HN 0.876 nan 8.230 nan 0.000 0.710 365 S N 1.469 117.186 115.700 0.028 0.000 2.371 365 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 365 S C 0.620 175.234 174.600 0.024 0.000 1.029 365 S CA 1.221 59.436 58.200 0.025 0.000 0.978 365 S CB -0.564 62.648 63.200 0.020 0.000 0.833 365 S HN 0.899 nan 8.310 nan 0.000 0.466 366 N N 1.628 120.339 118.700 0.019 0.000 3.188 366 N HA 0.467 5.206 4.740 -0.000 0.000 0.279 366 N C 0.934 176.446 175.510 0.002 0.000 1.213 366 N CA 0.062 53.119 53.050 0.012 0.000 1.138 366 N CB -0.085 38.409 38.487 0.012 0.000 1.417 366 N HN 0.508 nan 8.380 nan 0.000 0.526 367 G N -0.659 108.145 108.800 0.006 0.000 2.417 367 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.233 367 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.233 367 G C -0.100 174.779 174.900 -0.035 0.000 1.103 367 G CA 0.178 45.274 45.100 -0.007 0.000 0.647 367 G HN 0.512 nan 8.290 nan 0.000 0.512 368 V N 2.173 122.046 119.914 -0.068 0.000 2.540 368 V HA 0.412 4.532 4.120 -0.000 0.000 0.297 368 V C 0.784 176.748 176.094 -0.217 0.000 1.024 368 V CA 1.408 63.594 62.300 -0.190 0.000 1.105 368 V CB 1.182 32.884 31.823 -0.201 0.000 0.938 368 V HN 0.379 nan 8.190 nan 0.000 0.482 369 T N 4.660 119.017 114.554 -0.329 0.000 3.427 369 T HA 0.311 4.661 4.350 -0.000 0.000 0.306 369 T C -0.053 174.354 174.700 -0.490 0.000 1.733 369 T CA -0.294 61.537 62.100 -0.449 0.000 1.599 369 T CB -0.472 68.276 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 -0.408 0.000 2.603 370 H HA 0.609 5.165 4.556 -0.000 0.000 0.370 370 H C 0.571 175.720 175.328 -0.298 0.000 1.225 370 H CA -0.329 55.563 56.048 -0.260 0.000 1.410 370 H CB 0.775 30.448 29.762 -0.148 0.000 1.495 370 H HN 0.219 nan 8.280 nan 0.000 0.602 371 R N 1.557 122.069 120.500 0.020 0.000 2.536 371 R HA 0.167 4.507 4.340 -0.000 0.000 0.269 371 R C -1.291 175.022 176.300 0.021 0.000 1.113 371 R CA -1.094 54.999 56.100 -0.012 0.000 0.948 371 R CB 1.453 31.738 30.300 -0.026 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 3.058 121.779 118.700 0.035 0.000 2.422 372 N HA -0.168 4.572 4.740 -0.000 0.000 0.289 372 N C -1.336 174.193 175.510 0.033 0.000 1.385 372 N CA 1.055 54.127 53.050 0.035 0.000 0.639 372 N CB -0.394 38.106 38.487 0.021 0.000 0.914 372 N HN 0.726 nan 8.380 nan 0.000 0.516 373 Q N -0.600 119.240 119.800 0.066 0.000 2.805 373 Q HA 0.199 4.539 4.340 -0.000 0.000 0.257 373 Q C -2.663 173.422 176.000 0.142 0.000 0.977 373 Q CA -0.983 54.855 55.803 0.059 0.000 0.901 373 Q CB 2.582 31.310 28.738 -0.018 0.000 1.778 373 Q HN 0.157 nan 8.270 nan 0.000 0.441 374 P HA 0.061 nan 4.420 nan 0.000 0.280 374 P C -0.275 176.977 177.300 -0.080 0.000 1.278 374 P CA 0.192 63.406 63.100 0.189 0.000 0.787 374 P CB 0.569 32.349 31.700 0.132 0.000 1.163 375 R N -2.788 117.525 120.500 -0.311 0.000 3.868 375 R HA -0.127 4.213 4.340 -0.000 0.000 0.476 375 R C 0.624 176.648 176.300 -0.461 0.000 0.241 375 R CA 1.198 57.117 56.100 -0.302 0.000 1.496 375 R CB -1.949 28.323 30.300 -0.046 0.000 1.052 375 R HN 0.857 nan 8.270 nan 0.000 0.541 376 G N 0.226 108.843 108.800 -0.305 0.000 5.302 376 G HA2 0.095 4.055 3.960 -0.000 0.000 0.223 376 G HA3 0.095 4.055 3.960 -0.000 0.000 0.223 376 G C -1.182 173.698 174.900 -0.034 0.000 0.832 376 G CA 0.030 44.943 45.100 -0.311 0.000 0.714 376 G HN 0.515 nan 8.290 nan 0.000 0.444 377 D N 0.895 121.250 120.400 -0.074 0.000 2.383 377 D HA 0.132 4.772 4.640 -0.000 0.000 0.275 377 D C -0.143 176.150 176.300 -0.011 0.000 1.344 377 D CA 0.234 54.162 54.000 -0.120 0.000 0.984 377 D CB -0.020 40.739 40.800 -0.068 0.000 1.104 377 D HN 0.053 nan 8.370 nan 0.000 0.524 378 c N 4.409 123.002 118.600 -0.011 0.000 2.521 378 c HA 0.179 4.749 4.570 -0.000 0.000 0.291 378 c C 0.483 174.578 174.090 0.008 0.000 1.074 378 c CA -1.010 55.346 56.329 0.045 0.000 1.495 378 c CB 0.351 42.915 42.510 0.089 0.000 1.862 378 c HN 0.500 nan 8.230 nan 0.000 0.418 379 D N 1.550 121.953 120.400 0.005 0.000 2.870 379 D HA 0.255 4.895 4.640 -0.000 0.000 0.241 379 D C 1.150 177.467 176.300 0.029 0.000 1.234 379 D CA 0.358 54.362 54.000 0.006 0.000 0.844 379 D CB -0.144 40.659 40.800 0.006 0.000 1.051 379 D HN 0.795 nan 8.370 nan 0.000 0.469 380 G N -0.131 108.691 108.800 0.036 0.000 5.084 380 G HA2 0.372 4.332 3.960 -0.000 0.000 0.241 380 G HA3 0.372 4.332 3.960 -0.000 0.000 0.241 380 G C -0.513 174.413 174.900 0.044 0.000 0.918 380 G CA -0.122 45.001 45.100 0.038 0.000 0.754 380 G HN 0.204 nan 8.290 nan 0.000 0.478 381 V N -2.084 117.864 119.914 0.058 0.000 2.932 381 V HA 0.798 4.918 4.120 -0.000 0.000 0.307 381 V C -0.108 176.042 176.094 0.093 0.000 1.147 381 V CA -0.687 61.656 62.300 0.072 0.000 0.951 381 V CB 1.485 33.360 31.823 0.088 0.000 1.031 381 V HN 0.349 nan 8.190 nan 0.000 0.426 382 Q N 4.086 123.938 119.800 0.087 0.000 2.013 382 Q HA 0.484 4.824 4.340 -0.000 0.000 0.158 382 Q C 1.051 177.103 176.000 0.087 0.000 0.517 382 Q CA -0.171 55.689 55.803 0.094 0.000 0.753 382 Q CB 0.783 29.563 28.738 0.069 0.000 1.005 382 Q HN 0.572 nan 8.270 nan 0.000 0.393 383 I N 0.540 121.138 120.570 0.047 0.000 3.284 383 I HA 0.083 4.253 4.170 -0.000 0.000 0.231 383 I C 0.564 176.678 176.117 -0.004 0.000 1.041 383 I CA 0.318 61.629 61.300 0.019 0.000 1.478 383 I CB 0.198 38.197 38.000 -0.001 0.000 1.340 383 I HN 0.253 nan 8.210 nan 0.000 0.449 384 N N 0.889 119.581 118.700 -0.013 0.000 2.818 384 N HA 0.268 5.008 4.740 -0.000 0.000 0.301 384 N C -1.541 173.955 175.510 -0.023 0.000 1.821 384 N CA 0.076 53.107 53.050 -0.031 0.000 0.930 384 N CB 0.743 39.209 38.487 -0.035 0.000 1.263 384 N HN -0.082 nan 8.380 nan 0.000 0.487 385 V N 2.622 122.529 119.914 -0.012 0.000 2.445 385 V HA 0.415 4.535 4.120 -0.000 0.000 0.283 385 V C -2.060 174.034 176.094 0.001 0.000 1.014 385 V CA -1.429 60.867 62.300 -0.005 0.000 0.852 385 V CB 1.746 33.573 31.823 0.008 0.000 1.021 385 V HN 0.267 nan 8.190 nan 0.000 0.435 386 P HA 0.267 nan 4.420 nan 0.000 0.271 386 P C -0.265 177.038 177.300 0.005 0.000 1.233 386 P CA 0.226 63.321 63.100 -0.008 0.000 0.795 386 P CB 0.587 32.273 31.700 -0.023 0.000 0.936 387 I N -4.298 116.276 120.570 0.007 0.000 3.343 387 I HA 0.685 4.855 4.170 -0.000 0.000 0.315 387 I C -1.134 174.870 176.117 -0.187 0.000 1.153 387 I CA -0.862 60.375 61.300 -0.105 0.000 0.952 387 I CB 2.333 40.230 38.000 -0.172 0.000 1.287 387 I HN 0.040 nan 8.210 nan 0.000 0.472 388 T N 2.111 116.448 114.554 -0.361 0.000 3.031 388 T HA 0.576 4.926 4.350 -0.000 0.000 0.305 388 T C -1.192 173.294 174.700 -0.357 0.000 0.985 388 T CA -0.145 61.815 62.100 -0.233 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 2.147 122.184 119.950 0.146 0.000 2.449 389 F HA 0.461 4.988 4.527 -0.000 0.000 0.342 389 F C 0.630 176.486 175.800 0.094 0.000 1.127 389 F CA -1.010 57.075 58.000 0.142 0.000 0.975 389 F CB 1.822 40.908 39.000 0.144 0.000 1.146 389 F HN 0.348 nan 8.300 nan 0.000 0.444 390 Q N 3.848 123.791 119.800 0.239 0.000 2.456 390 Q HA 0.392 4.732 4.340 -0.000 0.000 0.234 390 Q C -1.214 174.732 176.000 -0.090 0.000 1.061 390 Q CA -0.493 55.346 55.803 0.060 0.000 0.896 390 Q CB 1.051 29.839 28.738 0.082 0.000 1.233 390 Q HN 0.569 nan 8.270 nan 0.000 0.506 391 V N 5.133 124.832 119.914 -0.359 0.000 2.455 391 V HA 0.171 4.291 4.120 -0.000 0.000 0.273 391 V C -0.107 175.568 176.094 -0.699 0.000 1.045 391 V CA -0.022 61.862 62.300 -0.693 0.000 0.976 391 V CB 0.796 31.997 31.823 -1.036 0.000 0.993 391 V HN 0.636 nan 8.190 nan 0.000 0.475 392 K N 4.463 124.602 120.400 -0.434 0.000 2.449 392 K HA 0.559 4.879 4.320 -0.000 0.000 0.257 392 K C -1.115 175.387 176.600 -0.164 0.000 0.989 392 K CA -0.522 55.630 56.287 -0.224 0.000 0.916 392 K CB 1.964 34.387 32.500 -0.128 0.000 1.136 392 K HN 0.453 nan 8.250 nan 0.000 0.439 393 V N 3.032 122.932 119.914 -0.023 0.000 2.370 393 V HA 0.299 4.419 4.120 -0.000 0.000 0.279 393 V C -0.022 176.086 176.094 0.023 0.000 1.029 393 V CA -0.378 61.930 62.300 0.014 0.000 0.870 393 V CB 1.484 33.412 31.823 0.175 0.000 0.984 393 V HN 0.732 nan 8.190 nan 0.000 0.451 394 T N 3.672 118.216 114.554 -0.016 0.000 2.908 394 T HA 0.825 5.174 4.350 -0.000 0.000 0.290 394 T C -0.123 174.570 174.700 -0.011 0.000 1.034 394 T CA -0.364 61.734 62.100 -0.002 0.000 1.010 394 T CB 2.043 70.908 68.868 -0.005 0.000 1.068 394 T HN 0.892 nan 8.240 nan 0.000 0.481 395 A N 0.736 123.555 122.820 -0.001 0.000 2.346 395 A HA 0.777 5.097 4.320 -0.000 0.000 0.313 395 A C 1.151 178.735 177.584 -0.000 0.000 1.140 395 A CA -0.340 51.693 52.037 -0.007 0.000 0.826 395 A CB 1.000 19.997 19.000 -0.005 0.000 1.332 395 A HN 0.897 nan 8.150 nan 0.000 0.457 396 T N -2.169 112.385 114.554 0.000 0.000 3.042 396 T HA 0.253 4.603 4.350 -0.000 0.000 0.245 396 T C 0.501 175.203 174.700 0.004 0.000 1.029 396 T CA 0.892 63.004 62.100 0.020 0.000 1.120 396 T CB -0.339 68.552 68.868 0.038 0.000 0.917 396 T HN 0.856 nan 8.240 nan 0.000 0.467 397 E N -0.585 119.610 120.200 -0.009 0.000 2.440 397 E HA 0.507 4.857 4.350 -0.000 0.000 0.263 397 E C -1.236 175.350 176.600 -0.023 0.000 0.938 397 E CA -1.277 55.110 56.400 -0.021 0.000 0.831 397 E CB 0.871 30.559 29.700 -0.021 0.000 1.456 397 E HN -0.006 nan 8.360 nan 0.000 0.427 398 c N 2.842 121.426 118.600 -0.028 0.000 2.423 398 c HA 0.240 4.810 4.570 -0.000 0.000 0.378 398 c C 1.018 175.095 174.090 -0.022 0.000 1.068 398 c CA -0.689 55.625 56.329 -0.025 0.000 1.371 398 c CB -2.709 39.784 42.510 -0.028 0.000 1.856 398 c HN 0.469 nan 8.230 nan 0.000 0.523 399 I N 1.278 121.837 120.570 -0.019 0.000 3.332 399 I HA 0.133 4.302 4.170 -0.000 0.000 0.280 399 I C 0.272 176.378 176.117 -0.019 0.000 1.285 399 I CA 0.075 61.364 61.300 -0.017 0.000 1.347 399 I CB 0.471 38.463 38.000 -0.012 0.000 1.353 399 I HN 0.344 nan 8.210 nan 0.000 0.611 400 Q N 2.307 122.097 119.800 -0.017 0.000 2.222 400 Q HA 0.200 4.540 4.340 -0.000 0.000 0.252 400 Q C -0.542 175.445 176.000 -0.021 0.000 0.926 400 Q CA -0.419 55.373 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 0.649 nan 8.270 nan 0.000 0.441 401 E N 2.529 122.710 120.200 -0.032 0.000 2.585 401 E HA -0.074 4.276 4.350 -0.000 0.000 0.252 401 E C -0.747 175.837 176.600 -0.025 0.000 0.981 401 E CA 0.670 57.044 56.400 -0.043 0.000 0.943 401 E CB 0.371 30.037 29.700 -0.057 0.000 0.923 401 E HN 0.587 nan 8.360 nan 0.000 0.486 402 Q N 1.850 121.641 119.800 -0.014 0.000 2.893 402 Q HA 0.492 4.832 4.340 -0.000 0.000 0.331 402 Q C -1.509 174.502 176.000 0.019 0.000 0.893 402 Q CA -0.989 54.821 55.803 0.011 0.000 0.783 402 Q CB 2.131 30.892 28.738 0.038 0.000 1.440 402 Q HN 0.606 nan 8.270 nan 0.000 0.508 403 S N -0.137 115.594 115.700 0.053 0.000 2.543 403 S HA 0.773 5.243 4.470 -0.000 0.000 0.273 403 S C -1.174 173.496 174.600 0.117 0.000 1.152 403 S CA -0.843 57.370 58.200 0.021 0.000 0.910 403 S CB 0.784 63.951 63.200 -0.055 0.000 1.105 403 S HN 0.617 nan 8.310 nan 0.000 0.465 404 F N 0.645 120.594 119.950 -0.002 0.000 2.782 404 F HA 0.951 5.478 4.527 -0.000 0.000 0.366 404 F C -0.902 174.921 175.800 0.039 0.000 1.171 404 F CA -1.222 56.796 58.000 0.029 0.000 1.064 404 F CB 0.852 39.883 39.000 0.053 0.000 1.449 404 F HN 0.702 nan 8.300 nan 0.000 0.520 405 V N -0.536 119.526 119.914 0.246 0.000 2.841 405 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 405 V C -1.181 175.112 176.094 0.331 0.000 1.090 405 V CA -1.003 61.360 62.300 0.105 0.000 0.930 405 V CB 1.685 33.560 31.823 0.088 0.000 1.014 405 V HN 0.864 nan 8.190 nan 0.000 0.425 406 I N 3.829 124.538 120.570 0.232 0.000 2.428 406 I HA 0.537 4.707 4.170 -0.000 0.000 0.279 406 I C 0.370 176.598 176.117 0.185 0.000 1.040 406 I CA -0.349 61.137 61.300 0.310 0.000 1.171 406 I CB 1.029 39.248 38.000 0.365 0.000 1.312 406 I HN 0.661 nan 8.210 nan 0.000 0.470 407 R N 3.606 124.198 120.500 0.154 0.000 2.596 407 R HA 0.778 5.118 4.340 -0.000 0.000 0.267 407 R C -0.149 176.197 176.300 0.077 0.000 1.026 407 R CA -0.784 55.380 56.100 0.106 0.000 1.087 407 R CB 1.457 31.812 30.300 0.091 0.000 1.132 407 R HN 0.606 nan 8.270 nan 0.000 0.531 408 A N 2.445 125.326 122.820 0.102 0.000 2.252 408 A HA 0.312 4.632 4.320 -0.000 0.000 0.309 408 A C 0.100 177.901 177.584 0.362 0.000 1.285 408 A CA -0.649 51.474 52.037 0.143 0.000 0.900 408 A CB 0.180 19.131 19.000 -0.081 0.000 1.157 408 A HN 0.598 nan 8.150 nan 0.000 0.536 409 L N 2.342 123.699 121.223 0.224 0.000 2.667 409 L HA 0.185 4.525 4.340 -0.000 0.000 0.278 409 L C 1.413 178.323 176.870 0.066 0.000 1.217 409 L CA 1.375 56.253 54.840 0.063 0.000 0.935 409 L CB -0.219 41.718 42.059 -0.203 0.000 1.193 409 L HN 1.212 nan 8.230 nan 0.000 0.493 410 G N 2.990 111.707 108.800 -0.139 0.000 2.142 410 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.225 410 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.225 410 G C -0.396 174.024 174.900 -0.799 0.000 1.015 410 G CA -0.539 44.296 45.100 -0.442 0.000 0.716 410 G HN 0.469 nan 8.290 nan 0.000 0.508 411 F N -1.029 118.922 119.950 0.002 0.000 2.608 411 F HA 0.529 5.056 4.527 -0.000 0.000 0.309 411 F C 1.183 176.980 175.800 -0.005 0.000 1.103 411 F CA -0.267 57.743 58.000 0.017 0.000 0.954 411 F CB 1.732 40.772 39.000 0.067 0.000 1.267 411 F HN 0.096 nan 8.300 nan 0.000 0.444 412 T N -3.541 111.108 114.554 0.159 0.000 3.129 412 T HA 0.044 4.394 4.350 -0.000 0.000 0.251 412 T C 0.032 174.784 174.700 0.086 0.000 1.117 412 T CA 0.041 62.184 62.100 0.073 0.000 1.034 412 T CB -0.527 68.353 68.868 0.021 0.000 0.968 412 T HN 0.301 nan 8.240 nan 0.000 0.526 413 D N 2.231 122.711 120.400 0.135 0.000 2.367 413 D HA 0.277 4.917 4.640 -0.000 0.000 0.255 413 D C -0.134 176.221 176.300 0.091 0.000 1.300 413 D CA -0.050 54.014 54.000 0.106 0.000 0.959 413 D CB 0.099 40.973 40.800 0.124 0.000 1.064 413 D HN 0.510 nan 8.370 nan 0.000 0.509 414 I N 1.939 122.547 120.570 0.063 0.000 2.371 414 I HA 0.078 4.248 4.170 -0.000 0.000 0.290 414 I C 0.108 176.249 176.117 0.040 0.000 1.028 414 I CA -0.643 60.688 61.300 0.051 0.000 1.345 414 I CB 1.145 39.164 38.000 0.032 0.000 1.407 414 I HN -0.048 nan 8.210 nan 0.000 0.501 415 V N 5.679 125.617 119.914 0.041 0.000 2.294 415 V HA 0.118 4.238 4.120 -0.000 0.000 0.272 415 V C 0.342 176.406 176.094 -0.051 0.000 1.027 415 V CA -0.515 61.794 62.300 0.015 0.000 0.823 415 V CB 0.884 32.739 31.823 0.053 0.000 1.030 415 V HN 0.727 nan 8.190 nan 0.000 0.457 416 T N 4.908 119.417 114.554 -0.075 0.000 2.961 416 T HA 0.152 4.502 4.350 -0.000 0.000 0.270 416 T C 0.235 174.797 174.700 -0.230 0.000 0.926 416 T CA 0.039 62.059 62.100 -0.133 0.000 1.112 416 T CB 0.056 68.870 68.868 -0.091 0.000 0.926 416 T HN 0.339 nan 8.240 nan 0.000 0.612 417 V N 5.206 124.875 119.914 -0.409 0.000 2.372 417 V HA 0.188 4.308 4.120 -0.000 0.000 0.261 417 V C 0.631 176.385 176.094 -0.567 0.000 1.055 417 V CA -0.619 61.336 62.300 -0.574 0.000 0.930 417 V CB 0.687 31.978 31.823 -0.887 0.000 1.031 417 V HN 0.767 nan 8.190 nan 0.000 0.479 418 Q N 3.863 123.453 119.800 -0.349 0.000 2.354 418 Q HA 0.522 4.862 4.340 -0.000 0.000 0.244 418 Q C -1.193 174.673 176.000 -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 -0.189 0.000 1.241 418 Q HN 0.562 nan 8.270 nan 0.000 0.461 419 V N 5.170 125.000 119.914 -0.140 0.000 2.577 419 V HA 0.390 4.510 4.120 -0.000 0.000 0.303 419 V C -0.783 175.229 176.094 -0.138 0.000 1.042 419 V CA -0.664 61.584 62.300 -0.088 0.000 0.872 419 V CB 1.668 33.530 31.823 0.065 0.000 0.998 419 V HN 0.699 nan 8.190 nan 0.000 0.423 420 L N 6.391 127.483 121.223 -0.220 0.000 2.343 420 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 420 L C -2.573 174.201 176.870 -0.160 0.000 0.996 420 L CA -1.859 52.821 54.840 -0.267 0.000 0.831 420 L CB 2.275 43.985 42.059 -0.581 0.000 1.232 420 L HN 0.385 nan 8.230 nan 0.000 0.413 421 P HA -0.051 nan 4.420 nan 0.000 0.257 421 P C -0.712 176.570 177.300 -0.029 0.000 1.227 421 P CA 0.229 63.301 63.100 -0.047 0.000 0.981 421 P CB 0.156 31.832 31.700 -0.039 0.000 1.044 422 Q N 3.585 123.386 119.800 0.002 0.000 2.441 422 Q HA 0.340 4.680 4.340 -0.000 0.000 0.234 422 Q C -0.797 175.217 176.000 0.024 0.000 1.078 422 Q CA -0.401 55.429 55.803 0.045 0.000 0.907 422 Q CB -0.055 28.751 28.738 0.114 0.000 1.269 422 Q HN 0.594 nan 8.270 nan 0.000 0.502 423 c N 1.913 120.518 118.600 0.009 0.000 2.996 423 c HA 0.552 5.122 4.570 -0.000 0.000 0.221 423 c C -0.847 173.232 174.090 -0.017 0.000 1.122 423 c CA -1.004 55.320 56.329 -0.008 0.000 1.040 423 c CB -0.070 42.429 42.510 -0.019 0.000 1.804 423 c HN 0.584 nan 8.230 nan 0.000 0.659 424 E N 0.650 120.843 120.200 -0.011 0.000 2.393 424 E HA 0.748 5.098 4.350 -0.000 0.000 0.273 424 E C -0.666 175.921 176.600 -0.022 0.000 0.918 424 E CA -0.006 56.380 56.400 -0.024 0.000 0.773 424 E CB 2.501 32.190 29.700 -0.017 0.000 1.275 424 E HN 0.879 nan 8.360 nan 0.000 0.451 425 c N 0.211 118.788 118.600 -0.038 0.000 2.994 425 c HA 0.841 5.411 4.570 -0.000 0.000 0.304 425 c C -0.412 173.665 174.090 -0.021 0.000 1.273 425 c CA -0.922 55.388 56.329 -0.032 0.000 1.537 425 c CB 1.800 44.277 42.510 -0.054 0.000 2.001 425 c HN 0.818 nan 8.230 nan 0.000 0.471 426 R N 1.661 122.160 120.500 -0.002 0.000 2.797 426 R HA 0.538 4.878 4.340 -0.000 0.000 0.274 426 R C -0.506 175.806 176.300 0.019 0.000 1.652 426 R CA -0.255 55.849 56.100 0.007 0.000 1.175 426 R CB 0.626 30.928 30.300 0.004 0.000 1.283 426 R HN 1.027 nan 8.270 nan 0.000 0.513 427 c N 1.633 120.250 118.600 0.029 0.000 2.503 427 c HA 0.510 5.079 4.570 -0.000 0.000 0.344 427 c C 0.836 174.947 174.090 0.034 0.000 1.610 427 c CA -0.206 56.145 56.329 0.037 0.000 2.351 427 c CB 0.157 42.701 42.510 0.058 0.000 2.044 427 c HN 0.702 nan 8.230 nan 0.000 0.680 428 R N 0.557 121.083 120.500 0.043 0.000 2.929 428 R HA 0.464 4.804 4.340 -0.000 0.000 0.259 428 R C -1.965 174.364 176.300 0.049 0.000 1.141 428 R CA -0.275 55.850 56.100 0.043 0.000 0.991 428 R CB 1.498 31.828 30.300 0.051 0.000 1.287 428 R HN 0.550 nan 8.270 nan 0.000 0.450 429 D N -1.394 119.035 120.400 0.049 0.000 2.744 429 D HA 0.005 4.645 4.640 -0.000 0.000 0.304 429 D C -0.579 175.760 176.300 0.066 0.000 1.179 429 D CA -0.642 53.384 54.000 0.044 0.000 1.024 429 D CB 0.387 41.193 40.800 0.010 0.000 1.453 429 D HN 0.510 nan 8.370 nan 0.000 0.529 430 Q N -0.432 119.400 119.800 0.053 0.000 2.228 430 Q HA 0.183 4.523 4.340 -0.000 0.000 0.211 430 Q C 0.321 176.347 176.000 0.044 0.000 0.890 430 Q CA 0.063 55.912 55.803 0.076 0.000 0.953 430 Q CB -0.081 28.705 28.738 0.080 0.000 1.053 430 Q HN 0.379 nan 8.270 nan 0.000 0.471 431 S N -0.016 115.703 115.700 0.030 0.000 2.470 431 S HA 0.071 4.541 4.470 -0.000 0.000 0.222 431 S C 0.907 175.521 174.600 0.024 0.000 1.024 431 S CA -0.197 58.016 58.200 0.021 0.000 0.931 431 S CB 0.078 63.286 63.200 0.013 0.000 0.791 431 S HN 0.292 nan 8.310 nan 0.000 0.513 432 R N 2.578 123.096 120.500 0.030 0.000 2.205 432 R HA 0.344 4.684 4.340 -0.000 0.000 0.342 432 R C -1.328 174.990 176.300 0.030 0.000 1.058 432 R CA 0.032 56.149 56.100 0.027 0.000 0.904 432 R CB -1.325 28.992 30.300 0.028 0.000 1.089 432 R HN 0.108 nan 8.270 nan 0.000 0.471 433 D N 3.532 123.946 120.400 0.023 0.000 3.335 433 D HA -0.123 4.517 4.640 -0.000 0.000 0.254 433 D C -0.155 176.157 176.300 0.019 0.000 1.055 433 D CA 0.498 54.508 54.000 0.017 0.000 0.971 433 D CB -0.501 40.306 40.800 0.012 0.000 0.990 433 D HN 0.757 nan 8.370 nan 0.000 0.423 434 R N -0.015 120.496 120.500 0.020 0.000 2.313 434 R HA 0.032 4.372 4.340 -0.000 0.000 0.199 434 R C 2.100 178.407 176.300 0.010 0.000 0.958 434 R CA 0.957 57.068 56.100 0.018 0.000 1.047 434 R CB 0.206 30.518 30.300 0.020 0.000 0.955 434 R HN 0.435 nan 8.270 nan 0.000 0.481 435 S N 0.777 116.483 115.700 0.010 0.000 2.311 435 S HA -0.004 4.466 4.470 -0.000 0.000 0.209 435 S C 1.112 175.711 174.600 -0.002 0.000 1.029 435 S CA 0.106 58.317 58.200 0.017 0.000 0.968 435 S CB -0.433 62.779 63.200 0.019 0.000 0.946 435 S HN 0.073 nan 8.310 nan 0.000 0.450 436 L N 1.170 122.372 121.223 -0.035 0.000 2.483 436 L HA 0.059 4.399 4.340 -0.000 0.000 0.277 436 L C 0.853 177.636 176.870 -0.145 0.000 1.248 436 L CA -0.117 54.657 54.840 -0.110 0.000 0.825 436 L CB -0.346 41.663 42.059 -0.084 0.000 1.096 436 L HN 0.742 nan 8.230 nan 0.000 0.512 437 c N 0.318 118.763 118.600 -0.259 0.000 4.417 437 c HA -0.181 4.389 4.570 -0.000 0.000 0.284 437 c C 1.023 175.011 174.090 -0.169 0.000 1.379 437 c CA 0.397 56.590 56.329 -0.227 0.000 1.918 437 c CB -3.378 39.044 42.510 -0.146 0.000 1.280 437 c HN 1.086 nan 8.230 nan 0.000 0.783 438 H N -1.270 117.761 119.070 -0.065 0.000 2.458 438 H HA -0.124 4.432 4.556 -0.000 0.000 0.322 438 H C 1.506 176.767 175.328 -0.112 0.000 1.038 438 H CA 1.155 57.158 56.048 -0.073 0.000 1.120 438 H CB -1.084 28.639 29.762 -0.066 0.000 1.489 438 H HN 1.485 nan 8.280 nan 0.000 0.399 439 G N -0.303 108.494 108.800 -0.006 0.000 2.377 439 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.250 439 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.250 439 G C 0.727 175.569 174.900 -0.096 0.000 1.039 439 G CA 0.607 45.686 45.100 -0.035 0.000 0.625 439 G HN 0.352 nan 8.290 nan 0.000 0.526 440 K N 1.690 121.960 120.400 -0.217 0.000 2.997 440 K HA 0.579 4.899 4.320 -0.000 0.000 0.249 440 K C 0.630 177.094 176.600 -0.227 0.000 1.284 440 K CA 0.589 56.646 56.287 -0.382 0.000 1.245 440 K CB 0.223 32.027 32.500 -1.160 0.000 1.670 440 K HN 1.300 nan 8.250 nan 0.000 0.385 441 G N 0.779 109.540 108.800 -0.065 0.000 2.340 441 G HA2 0.293 4.253 3.960 -0.000 0.000 0.298 441 G HA3 0.293 4.253 3.960 -0.000 0.000 0.298 441 G C -1.271 173.661 174.900 0.054 0.000 1.498 441 G CA -1.078 44.015 45.100 -0.012 0.000 0.847 441 G HN 0.133 nan 8.290 nan 0.000 0.594 442 F N -0.844 119.096 119.950 -0.017 0.000 2.572 442 F HA 0.926 5.453 4.527 -0.000 0.000 0.342 442 F C -0.345 175.452 175.800 -0.005 0.000 1.064 442 F CA -1.602 56.391 58.000 -0.012 0.000 1.008 442 F CB 1.740 40.736 39.000 -0.007 0.000 1.303 442 F HN 0.528 nan 8.300 nan 0.000 0.492 443 L N 1.330 122.635 121.223 0.136 0.000 2.362 443 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 443 L C -1.463 175.493 176.870 0.144 0.000 1.002 443 L CA -0.551 54.312 54.840 0.038 0.000 0.818 443 L CB 1.846 43.928 42.059 0.038 0.000 1.298 443 L HN 0.858 nan 8.230 nan 0.000 0.420 444 E N 3.948 124.201 120.200 0.089 0.000 2.432 444 E HA 0.290 4.640 4.350 -0.000 0.000 0.272 444 E C -0.825 175.853 176.600 0.131 0.000 0.937 444 E CA -0.414 56.060 56.400 0.122 0.000 0.812 444 E CB 0.925 30.707 29.700 0.137 0.000 1.377 444 E HN 0.735 nan 8.360 nan 0.000 0.399 445 c N 4.268 122.948 118.600 0.133 0.000 4.067 445 c HA 0.087 4.657 4.570 -0.000 0.000 0.305 445 c C 1.488 175.698 174.090 0.200 0.000 1.305 445 c CA 1.250 57.688 56.329 0.182 0.000 2.111 445 c CB -2.248 40.439 42.510 0.296 0.000 1.339 445 c HN 1.317 nan 8.230 nan 0.000 0.668 446 G N 0.664 109.531 108.800 0.111 0.000 4.315 446 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 446 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 446 G C 0.250 175.194 174.900 0.074 0.000 1.649 446 G CA 0.451 45.597 45.100 0.076 0.000 1.108 446 G HN 2.017 nan 8.290 nan 0.000 0.667 447 I N 0.477 121.120 120.570 0.122 0.000 3.245 447 I HA 0.374 4.544 4.170 -0.000 0.000 0.290 447 I C 0.385 176.505 176.117 0.005 0.000 1.269 447 I CA -0.044 61.311 61.300 0.091 0.000 1.383 447 I CB 0.038 38.161 38.000 0.205 0.000 1.337 447 I HN 0.495 nan 8.210 nan 0.000 0.599 448 c N 4.007 122.566 118.600 -0.069 0.000 2.345 448 c HA 0.508 5.078 4.570 -0.000 0.000 0.323 448 c C 0.201 174.113 174.090 -0.297 0.000 1.276 448 c CA -0.703 55.506 56.329 -0.200 0.000 1.543 448 c CB 0.543 42.952 42.510 -0.168 0.000 2.211 448 c HN 0.723 nan 8.230 nan 0.000 0.493 449 R N 2.007 122.135 120.500 -0.620 0.000 2.205 449 R HA 0.407 4.747 4.340 -0.000 0.000 0.342 449 R C -0.156 175.791 176.300 -0.588 0.000 1.058 449 R CA -0.279 55.448 56.100 -0.622 0.000 0.904 449 R CB 0.286 30.141 30.300 -0.741 0.000 1.089 449 R HN 0.751 nan 8.270 nan 0.000 0.471 450 c N 1.695 120.169 118.600 -0.210 0.000 2.711 450 c HA 0.125 4.695 4.570 -0.000 0.000 0.306 450 c C 1.038 175.180 174.090 0.086 0.000 1.479 450 c CA -0.658 55.643 56.329 -0.046 0.000 2.271 450 c CB 0.139 42.683 42.510 0.058 0.000 2.155 450 c HN 0.685 nan 8.230 nan 0.000 0.674 451 D N 0.234 120.751 120.400 0.196 0.000 2.440 451 D HA 0.194 4.834 4.640 -0.000 0.000 0.269 451 D C 1.433 177.839 176.300 0.176 0.000 1.249 451 D CA 0.202 54.341 54.000 0.232 0.000 1.055 451 D CB -0.210 40.782 40.800 0.319 0.000 1.104 451 D HN 0.733 nan 8.370 nan 0.000 0.561 452 T N -3.059 111.576 114.554 0.136 0.000 2.788 452 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 452 T C 1.705 176.422 174.700 0.028 0.000 1.044 452 T CA 1.113 63.258 62.100 0.074 0.000 1.139 452 T CB -0.522 68.379 68.868 0.055 0.000 0.867 452 T HN 0.440 nan 8.240 nan 0.000 0.454 453 G N -0.784 108.009 108.800 -0.012 0.000 2.796 453 G HA2 0.300 4.260 3.960 -0.000 0.000 0.210 453 G HA3 0.300 4.260 3.960 -0.000 0.000 0.210 453 G C -0.123 174.604 174.900 -0.288 0.000 1.146 453 G CA -0.473 44.516 45.100 -0.184 0.000 0.779 453 G HN 0.520 nan 8.290 nan 0.000 0.535 454 Y N 0.178 120.495 120.300 0.028 0.000 2.361 454 Y HA 0.644 5.193 4.550 -0.000 0.000 0.332 454 Y C 0.148 176.055 175.900 0.013 0.000 1.101 454 Y CA -0.945 57.170 58.100 0.025 0.000 1.137 454 Y CB 1.622 40.100 38.460 0.030 0.000 1.207 454 Y HN -0.164 nan 8.280 nan 0.000 0.463 455 I N 1.193 121.859 120.570 0.160 0.000 3.006 455 I HA 0.739 4.909 4.170 -0.000 0.000 0.306 455 I C 0.063 176.223 176.117 0.073 0.000 1.250 455 I CA -0.736 60.614 61.300 0.083 0.000 0.996 455 I CB 1.819 39.846 38.000 0.045 0.000 1.261 455 I HN 0.719 nan 8.210 nan 0.000 0.442 456 G N 3.551 112.373 108.800 0.037 0.000 2.362 456 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.656 456 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.656 456 G C -0.046 174.853 174.900 -0.001 0.000 1.376 456 G CA -0.205 44.909 45.100 0.023 0.000 0.971 456 G HN 0.886 nan 8.290 nan 0.000 0.636 457 K N -0.985 119.411 120.400 -0.007 0.000 2.555 457 K HA 0.112 4.432 4.320 -0.000 0.000 0.193 457 K C 0.537 177.108 176.600 -0.050 0.000 1.032 457 K CA 1.131 57.407 56.287 -0.018 0.000 1.004 457 K CB 0.144 32.639 32.500 -0.008 0.000 0.804 457 K HN 0.247 nan 8.250 nan 0.000 0.496 458 N N 0.363 119.021 118.700 -0.070 0.000 2.471 458 N HA 0.082 4.822 4.740 -0.000 0.000 0.270 458 N C -0.881 174.532 175.510 -0.162 0.000 1.490 458 N CA -0.163 52.794 53.050 -0.154 0.000 0.850 458 N CB 0.537 38.891 38.487 -0.221 0.000 1.411 458 N HN 0.169 nan 8.380 nan 0.000 0.488 459 c N 2.151 120.715 118.600 -0.060 0.000 4.185 459 c HA -0.145 4.425 4.570 -0.000 0.000 0.297 459 c C 2.015 176.170 174.090 0.108 0.000 1.463 459 c CA 1.277 57.611 56.329 0.008 0.000 2.032 459 c CB -1.663 40.800 42.510 -0.078 0.000 1.282 459 c HN 0.585 nan 8.230 nan 0.000 0.770 460 E N -1.024 119.263 120.200 0.144 0.000 2.250 460 E HA -0.006 4.344 4.350 -0.000 0.000 0.192 460 E C 0.641 177.369 176.600 0.213 0.000 0.986 460 E CA 0.761 57.339 56.400 0.296 0.000 0.849 460 E CB -0.128 29.742 29.700 0.284 0.000 0.797 460 E HN 0.729 nan 8.360 nan 0.000 0.482 461 c N 1.648 120.347 118.600 0.165 0.000 2.370 461 c HA 0.528 5.098 4.570 -0.000 0.000 0.354 461 c C 0.099 174.268 174.090 0.131 0.000 1.218 461 c CA -0.691 55.711 56.329 0.122 0.000 2.154 461 c CB 1.103 43.658 42.510 0.075 0.000 2.391 461 c HN 0.426 nan 8.230 nan 0.000 0.540 462 Q N 0.338 120.176 119.800 0.064 0.000 2.297 462 Q HA 0.352 4.692 4.340 -0.000 0.000 0.268 462 Q C 0.694 176.675 176.000 -0.032 0.000 1.045 462 Q CA -0.208 55.579 55.803 -0.026 0.000 0.861 462 Q CB 1.620 30.308 28.738 -0.083 0.000 1.344 462 Q HN 0.877 nan 8.270 nan 0.000 0.452 463 T N -0.277 114.237 114.554 -0.068 0.000 3.215 463 T HA 0.076 4.426 4.350 -0.000 0.000 0.254 463 T C 0.166 174.847 174.700 -0.033 0.000 1.149 463 T CA 0.367 62.444 62.100 -0.038 0.000 1.042 463 T CB 0.008 68.852 68.868 -0.040 0.000 0.966 463 T HN 0.523 nan 8.240 nan 0.000 0.534 464 Q N 1.054 120.830 119.800 -0.040 0.000 2.965 464 Q HA 0.537 4.877 4.340 -0.000 0.000 0.288 464 Q C -0.221 175.771 176.000 -0.014 0.000 0.974 464 Q CA -0.741 55.047 55.803 -0.026 0.000 0.849 464 Q CB 1.142 29.859 28.738 -0.035 0.000 1.280 464 Q HN 0.550 nan 8.270 nan 0.000 0.441 465 G N 2.102 110.901 108.800 -0.003 0.000 2.421 465 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.360 465 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.360 465 G C -0.998 173.907 174.900 0.009 0.000 1.219 465 G CA -0.965 44.137 45.100 0.003 0.000 1.257 465 G HN 0.226 nan 8.290 nan 0.000 0.609 466 R N -0.039 120.468 120.500 0.012 0.000 2.629 466 R HA 0.825 5.165 4.340 -0.000 0.000 0.266 466 R C -0.730 175.579 176.300 0.015 0.000 1.051 466 R CA -0.385 55.724 56.100 0.015 0.000 0.895 466 R CB 2.322 32.633 30.300 0.018 0.000 1.246 466 R HN 1.560 nan 8.270 nan 0.000 0.459 467 S N -0.115 115.593 115.700 0.015 0.000 2.709 467 S HA 0.338 4.807 4.470 -0.000 0.000 0.305 467 S C -1.258 173.350 174.600 0.013 0.000 0.974 467 S CA -0.948 57.260 58.200 0.015 0.000 0.837 467 S CB 1.340 64.549 63.200 0.015 0.000 1.032 467 S HN 0.465 nan 8.310 nan 0.000 0.461 468 S N 1.357 117.065 115.700 0.013 0.000 2.810 468 S HA 0.553 5.023 4.470 -0.000 0.000 0.315 468 S C 0.812 175.419 174.600 0.012 0.000 1.138 468 S CA -0.658 57.549 58.200 0.012 0.000 0.889 468 S CB 1.782 64.990 63.200 0.012 0.000 1.236 468 S HN 0.892 nan 8.310 nan 0.000 0.548 469 Q N 0.828 120.635 119.800 0.010 0.000 1.896 469 Q HA 0.076 4.416 4.340 -0.000 0.000 0.205 469 Q C 0.812 176.819 176.000 0.011 0.000 0.978 469 Q CA 1.341 57.150 55.803 0.010 0.000 0.850 469 Q CB -0.200 28.543 28.738 0.008 0.000 0.908 469 Q HN 0.699 nan 8.270 nan 0.000 0.431 470 E N 0.321 120.527 120.200 0.010 0.000 2.437 470 E HA 0.047 4.397 4.350 -0.000 0.000 0.189 470 E C 1.695 178.302 176.600 0.012 0.000 1.054 470 E CA -0.231 56.176 56.400 0.011 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 0.595 121.825 121.223 0.012 0.000 2.265 471 L HA -0.142 4.198 4.340 -0.000 0.000 0.215 471 L C 1.393 178.272 176.870 0.015 0.000 1.117 471 L CA 1.094 55.940 54.840 0.011 0.000 0.782 471 L CB -0.208 41.857 42.059 0.010 0.000 0.914 471 L HN 0.117 nan 8.230 nan 0.000 0.441 472 E N -0.017 120.195 120.200 0.019 0.000 2.438 472 E HA -0.029 4.321 4.350 -0.000 0.000 0.192 472 E C 1.806 178.429 176.600 0.040 0.000 1.110 472 E CA 0.236 56.653 56.400 0.028 0.000 0.893 472 E CB 0.047 29.762 29.700 0.026 0.000 0.990 472 E HN 0.473 nan 8.360 nan 0.000 0.490 473 G N 1.128 109.949 108.800 0.034 0.000 2.496 473 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.214 473 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.214 473 G C 1.456 176.399 174.900 0.073 0.000 1.234 473 G CA 0.385 45.509 45.100 0.040 0.000 0.807 473 G HN 0.295 nan 8.290 nan 0.000 0.543 474 S N -1.035 114.707 115.700 0.069 0.000 2.650 474 S HA -0.001 4.469 4.470 -0.000 0.000 0.219 474 S C 1.746 176.427 174.600 0.135 0.000 0.960 474 S CA 0.442 58.711 58.200 0.114 0.000 0.925 474 S CB -0.681 62.542 63.200 0.038 0.000 0.775 474 S HN 0.387 nan 8.310 nan 0.000 0.525 475 c N 2.152 120.822 118.600 0.118 0.000 2.594 475 c HA 0.360 4.930 4.570 -0.000 0.000 0.265 475 c C 0.928 175.184 174.090 0.277 0.000 1.351 475 c CA -0.379 56.012 56.329 0.103 0.000 1.744 475 c CB -1.262 41.277 42.510 0.048 0.000 1.890 475 c HN 0.683 nan 8.230 nan 0.000 0.551 476 R N -0.001 120.681 120.500 0.304 0.000 2.575 476 R HA 0.398 4.738 4.340 -0.000 0.000 0.293 476 R C 0.837 177.093 176.300 -0.073 0.000 0.983 476 R CA -0.562 55.644 56.100 0.177 0.000 0.887 476 R CB 0.736 31.065 30.300 0.048 0.000 1.184 476 R HN 0.259 nan 8.270 nan 0.000 0.445 477 K N 0.915 120.890 120.400 -0.708 0.000 2.074 477 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 477 K C -0.359 176.033 176.600 -0.346 0.000 1.048 477 K CA 1.813 57.498 56.287 -1.002 0.000 0.926 477 K CB -0.338 31.587 32.500 -0.958 0.000 0.713 477 K HN 0.798 nan 8.250 nan 0.000 0.444 478 D N -1.983 118.288 120.400 -0.215 0.000 2.610 478 D HA 0.175 4.814 4.640 -0.000 0.000 0.271 478 D C -0.081 176.179 176.300 -0.067 0.000 1.174 478 D CA -0.927 53.006 54.000 -0.112 0.000 0.949 478 D CB 0.324 41.062 40.800 -0.103 0.000 1.430 478 D HN -0.199 nan 8.370 nan 0.000 0.467 479 N N -0.508 118.166 118.700 -0.043 0.000 2.289 479 N HA -0.083 4.657 4.740 -0.000 0.000 0.184 479 N C -0.023 175.471 175.510 -0.027 0.000 1.016 479 N CA 0.813 53.847 53.050 -0.027 0.000 0.872 479 N CB -0.405 38.071 38.487 -0.019 0.000 0.973 479 N HN 0.364 nan 8.380 nan 0.000 0.433 480 N N -0.469 118.210 118.700 -0.035 0.000 2.380 480 N HA 0.058 4.798 4.740 -0.000 0.000 0.255 480 N C -0.855 174.632 175.510 -0.039 0.000 1.158 480 N CA -0.016 53.015 53.050 -0.031 0.000 0.878 480 N CB 0.574 39.044 38.487 -0.028 0.000 1.138 480 N HN -0.051 nan 8.380 nan 0.000 0.509 481 S N 0.057 115.729 115.700 -0.047 0.000 2.500 481 S HA 0.487 4.957 4.470 -0.000 0.000 0.301 481 S C -0.120 174.462 174.600 -0.031 0.000 1.092 481 S CA -0.844 57.323 58.200 -0.054 0.000 1.030 481 S CB 0.981 64.120 63.200 -0.102 0.000 1.031 481 S HN 0.260 nan 8.310 nan 0.000 0.483 482 I N 4.829 125.387 120.570 -0.020 0.000 2.836 482 I HA 0.263 4.433 4.170 -0.000 0.000 0.285 482 I C -0.068 176.055 176.117 0.011 0.000 1.174 482 I CA -0.545 60.753 61.300 -0.002 0.000 1.405 482 I CB 0.429 38.430 38.000 0.002 0.000 1.385 482 I HN 0.664 nan 8.210 nan 0.000 0.594 483 I N 6.870 127.454 120.570 0.022 0.000 2.683 483 I HA -0.093 4.077 4.170 -0.000 0.000 0.286 483 I C 1.050 177.191 176.117 0.041 0.000 1.175 483 I CA -0.061 61.262 61.300 0.039 0.000 1.429 483 I CB 0.053 38.073 38.000 0.033 0.000 1.371 483 I HN 0.856 nan 8.210 nan 0.000 0.569 484 c N 4.480 123.122 118.600 0.071 0.000 4.259 484 c HA -0.227 4.343 4.570 -0.000 0.000 0.294 484 c C 1.425 175.534 174.090 0.032 0.000 1.459 484 c CA 0.678 57.036 56.329 0.048 0.000 2.016 484 c CB -3.271 39.221 42.510 -0.031 0.000 1.274 484 c HN 1.077 nan 8.230 nan 0.000 0.792 485 S N -1.586 114.139 115.700 0.042 0.000 3.521 485 S HA -0.033 4.437 4.470 -0.000 0.000 0.362 485 S C 1.082 175.685 174.600 0.004 0.000 1.044 485 S CA 1.314 59.521 58.200 0.012 0.000 1.091 485 S CB -1.562 61.645 63.200 0.012 0.000 0.908 485 S HN 2.600 nan 8.310 nan 0.000 0.473 486 G N 0.275 109.083 108.800 0.013 0.000 2.960 486 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.267 486 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.267 486 G C 0.120 175.032 174.900 0.020 0.000 1.492 486 G CA -0.311 44.809 45.100 0.032 0.000 0.953 486 G HN 1.540 nan 8.290 nan 0.000 0.555 487 L N -2.185 119.104 121.223 0.109 0.000 3.843 487 L HA -0.081 4.259 4.340 -0.000 0.000 0.411 487 L C 0.982 177.684 176.870 -0.281 0.000 1.205 487 L CA 1.062 55.998 54.840 0.161 0.000 0.945 487 L CB -1.897 40.202 42.059 0.067 0.000 1.929 487 L HN 2.247 nan 8.230 nan 0.000 0.934 488 G N 0.142 108.567 108.800 -0.625 0.000 2.617 488 G HA2 0.505 4.465 3.960 -0.000 0.000 0.305 488 G HA3 0.505 4.465 3.960 -0.000 0.000 0.305 488 G C -1.385 173.266 174.900 -0.416 0.000 1.436 488 G CA -0.340 44.289 45.100 -0.786 0.000 1.036 488 G HN 0.176 nan 8.290 nan 0.000 0.589 489 D N 0.246 120.461 120.400 -0.308 0.000 2.280 489 D HA 0.432 5.072 4.640 -0.000 0.000 0.236 489 D C 0.416 176.699 176.300 -0.030 0.000 1.082 489 D CA -0.681 53.311 54.000 -0.014 0.000 0.834 489 D CB 1.427 42.317 40.800 0.150 0.000 1.100 489 D HN 0.417 nan 8.370 nan 0.000 0.486 490 c N 3.059 121.651 118.600 -0.013 0.000 2.637 490 c HA 0.561 5.131 4.570 -0.000 0.000 0.418 490 c C -0.272 173.817 174.090 -0.002 0.000 1.319 490 c CA -0.060 56.261 56.329 -0.014 0.000 1.949 490 c CB -0.802 41.708 42.510 -0.001 0.000 2.639 490 c HN 0.500 nan 8.230 nan 0.000 0.594 491 V N 6.178 126.088 119.914 -0.007 0.000 2.612 491 V HA 0.351 4.471 4.120 -0.000 0.000 0.301 491 V C 0.204 176.299 176.094 0.002 0.000 1.059 491 V CA -0.624 61.678 62.300 0.003 0.000 0.886 491 V CB 1.186 33.014 31.823 0.008 0.000 1.007 491 V HN 1.158 nan 8.190 nan 0.000 0.426 492 c N 4.937 123.542 118.600 0.008 0.000 4.209 492 c HA -0.067 4.503 4.570 -0.000 0.000 0.305 492 c C 1.832 175.921 174.090 -0.002 0.000 1.339 492 c CA 1.536 57.871 56.329 0.009 0.000 2.062 492 c CB -1.907 40.614 42.510 0.018 0.000 1.307 492 c HN 2.075 nan 8.230 nan 0.000 0.706 493 G N -0.324 108.474 108.800 -0.004 0.000 2.640 493 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.226 493 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.226 493 G C 0.094 174.974 174.900 -0.033 0.000 1.222 493 G CA 1.244 46.337 45.100 -0.012 0.000 0.729 493 G HN 1.245 nan 8.290 nan 0.000 0.516 494 Q N 0.217 119.990 119.800 -0.045 0.000 2.171 494 Q HA 0.694 5.034 4.340 -0.000 0.000 0.217 494 Q C -0.185 175.771 176.000 -0.074 0.000 0.995 494 Q CA -0.417 55.337 55.803 -0.081 0.000 0.979 494 Q CB 1.241 29.936 28.738 -0.071 0.000 1.152 494 Q HN 0.412 nan 8.270 nan 0.000 0.525 495 c N 0.649 119.188 118.600 -0.102 0.000 2.493 495 c HA 0.585 5.155 4.570 -0.000 0.000 0.326 495 c C -0.750 173.288 174.090 -0.086 0.000 1.200 495 c CA -0.744 55.531 56.329 -0.091 0.000 1.739 495 c CB 1.024 43.470 42.510 -0.106 0.000 2.300 495 c HN 0.768 nan 8.230 nan 0.000 0.500 496 L N 3.375 124.545 121.223 -0.089 0.000 2.335 496 L HA 0.464 4.804 4.340 -0.000 0.000 0.268 496 L C -0.097 176.685 176.870 -0.145 0.000 1.037 496 L CA -0.032 54.762 54.840 -0.078 0.000 0.895 496 L CB -0.229 41.810 42.059 -0.032 0.000 1.266 496 L HN 0.858 nan 8.230 nan 0.000 0.439 497 c N 3.246 121.765 118.600 -0.136 0.000 2.563 497 c HA 0.047 4.617 4.570 -0.000 0.000 0.411 497 c C 1.084 175.106 174.090 -0.114 0.000 1.386 497 c CA -0.124 56.101 56.329 -0.174 0.000 1.703 497 c CB -1.348 41.113 42.510 -0.082 0.000 2.596 497 c HN 0.741 nan 8.230 nan 0.000 0.605 498 H N 0.696 119.767 119.070 0.002 0.000 2.730 498 H HA 0.381 4.937 4.556 -0.000 0.000 0.376 498 H C 0.860 176.193 175.328 0.009 0.000 1.299 498 H CA 0.481 56.532 56.048 0.004 0.000 1.447 498 H CB 0.450 30.214 29.762 0.002 0.000 1.493 498 H HN 0.767 nan 8.280 nan 0.000 0.619 499 T N -1.530 113.117 114.554 0.155 0.000 2.856 499 T HA 0.437 4.787 4.350 -0.000 0.000 0.283 499 T C -0.220 174.519 174.700 0.065 0.000 1.008 499 T CA -1.086 61.065 62.100 0.086 0.000 0.997 499 T CB 1.689 70.595 68.868 0.063 0.000 0.992 499 T HN 0.437 nan 8.240 nan 0.000 0.454 500 S N 1.525 117.257 115.700 0.052 0.000 2.519 500 S HA 0.388 4.858 4.470 -0.000 0.000 0.309 500 S C -0.393 174.226 174.600 0.030 0.000 1.100 500 S CA -0.815 57.407 58.200 0.037 0.000 1.059 500 S CB 0.555 63.777 63.200 0.036 0.000 1.008 500 S HN 0.832 nan 8.310 nan 0.000 0.478 501 D N 3.635 124.048 120.400 0.022 0.000 3.032 501 D HA 0.187 4.827 4.640 -0.000 0.000 0.241 501 D C -0.218 176.092 176.300 0.016 0.000 1.196 501 D CA -0.221 53.790 54.000 0.019 0.000 0.927 501 D CB -0.223 40.585 40.800 0.014 0.000 1.129 501 D HN 0.156 nan 8.370 nan 0.000 0.458 502 V N 0.717 120.642 119.914 0.019 0.000 2.448 502 V HA 0.342 4.462 4.120 -0.000 0.000 0.295 502 V C -2.164 173.940 176.094 0.017 0.000 1.025 502 V CA -2.122 60.187 62.300 0.016 0.000 0.859 502 V CB 1.864 33.696 31.823 0.015 0.000 0.988 502 V HN 0.062 nan 8.190 nan 0.000 0.431 503 P HA 0.118 nan 4.420 nan 0.000 0.257 503 P C 1.071 178.378 177.300 0.012 0.000 1.162 503 P CA 1.871 64.979 63.100 0.012 0.000 0.762 503 P CB 0.216 31.921 31.700 0.008 0.000 0.753 504 G N 2.540 111.348 108.800 0.014 0.000 2.579 504 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.222 504 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.222 504 G C 0.400 175.313 174.900 0.022 0.000 1.201 504 G CA 0.283 45.389 45.100 0.009 0.000 0.710 504 G HN 0.715 nan 8.290 nan 0.000 0.516 505 K N 0.715 121.130 120.400 0.025 0.000 2.530 505 K HA 0.405 4.725 4.320 -0.000 0.000 0.280 505 K C -0.518 176.116 176.600 0.056 0.000 1.004 505 K CA 0.685 56.993 56.287 0.035 0.000 1.071 505 K CB 0.235 32.753 32.500 0.030 0.000 0.876 505 K HN 1.283 nan 8.250 nan 0.000 0.487 506 L N 6.277 127.547 121.223 0.078 0.000 2.795 506 L HA 0.385 4.725 4.340 -0.000 0.000 0.260 506 L C -1.631 175.334 176.870 0.157 0.000 0.935 506 L CA -0.451 54.456 54.840 0.112 0.000 0.985 506 L CB 0.993 43.131 42.059 0.131 0.000 1.433 506 L HN 0.536 nan 8.230 nan 0.000 0.447 507 I N 4.889 125.520 120.570 0.101 0.000 2.677 507 I HA 0.571 4.741 4.170 -0.000 0.000 0.305 507 I C -0.281 175.902 176.117 0.109 0.000 0.988 507 I CA -0.223 61.093 61.300 0.027 0.000 1.260 507 I CB 1.309 39.297 38.000 -0.021 0.000 1.410 507 I HN 0.840 nan 8.210 nan 0.000 0.523 508 Y N 0.593 120.843 120.300 -0.084 0.000 2.732 508 Y HA 0.656 5.206 4.550 -0.000 0.000 0.342 508 Y C -0.519 175.336 175.900 -0.074 0.000 1.203 508 Y CA -0.942 57.084 58.100 -0.124 0.000 1.092 508 Y CB 0.833 39.146 38.460 -0.245 0.000 1.345 508 Y HN 0.973 nan 8.280 nan 0.000 0.458 509 G N 0.872 109.717 108.800 0.075 0.000 2.392 509 G HA2 0.008 3.967 3.960 -0.000 0.000 0.677 509 G HA3 0.008 3.967 3.960 -0.000 0.000 0.677 509 G C -0.422 174.445 174.900 -0.055 0.000 1.334 509 G CA -0.267 44.849 45.100 0.026 0.000 0.961 509 G HN 0.904 nan 8.290 nan 0.000 0.616 510 Q N -0.672 119.053 119.800 -0.126 0.000 2.061 510 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 510 Q C 1.321 177.021 176.000 -0.500 0.000 0.984 510 Q CA 2.306 57.868 55.803 -0.401 0.000 0.846 510 Q CB -0.034 28.284 28.738 -0.701 0.000 0.902 510 Q HN 0.689 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 4.820 4.550 -0.000 0.000 0.276 511 Y C 0.156 176.008 175.900 -0.080 0.000 1.167 511 Y CA -0.916 57.152 58.100 -0.053 0.000 1.230 511 Y CB 0.017 38.452 38.460 -0.042 0.000 1.144 511 Y HN 0.047 nan 8.280 nan 0.000 0.529 512 c N 2.829 121.425 118.600 -0.006 0.000 4.056 512 c HA -0.204 4.366 4.570 -0.000 0.000 0.302 512 c C 1.824 175.865 174.090 -0.081 0.000 1.356 512 c CA 1.033 57.317 56.329 -0.075 0.000 2.074 512 c CB -1.676 40.776 42.510 -0.096 0.000 1.328 512 c HN 0.750 nan 8.230 nan 0.000 0.684 513 E N -1.599 118.548 120.200 -0.089 0.000 2.244 513 E HA 0.055 4.405 4.350 -0.000 0.000 0.196 513 E C 0.730 177.215 176.600 -0.192 0.000 0.939 513 E CA 0.447 56.793 56.400 -0.091 0.000 0.884 513 E CB -0.099 29.585 29.700 -0.026 0.000 0.850 513 E HN 0.673 nan 8.360 nan 0.000 0.481 514 c N 3.018 121.390 118.600 -0.380 0.000 2.405 514 c HA 0.483 5.053 4.570 -0.000 0.000 0.365 514 c C -0.217 173.377 174.090 -0.826 0.000 1.233 514 c CA -0.409 55.571 56.329 -0.581 0.000 2.230 514 c CB 0.415 42.492 42.510 -0.721 0.000 2.443 514 c HN 0.546 nan 8.230 nan 0.000 0.556 515 D N -0.371 119.799 120.400 -0.382 0.000 2.559 515 D HA 0.412 5.052 4.640 -0.000 0.000 0.250 515 D C -0.409 175.986 176.300 0.158 0.000 1.135 515 D CA -0.489 53.457 54.000 -0.091 0.000 0.955 515 D CB 0.733 41.503 40.800 -0.050 0.000 1.442 515 D HN 0.457 nan 8.370 nan 0.000 0.471 516 T N -2.151 112.516 114.554 0.187 0.000 3.256 516 T HA 0.476 4.826 4.350 -0.000 0.000 0.249 516 T C 0.739 175.425 174.700 -0.024 0.000 0.975 516 T CA -0.385 61.735 62.100 0.034 0.000 1.011 516 T CB -1.121 67.716 68.868 -0.051 0.000 1.127 516 T HN 0.545 nan 8.240 nan 0.000 0.543 517 I N -3.739 116.831 120.570 -0.000 0.000 5.285 517 I HA 0.500 4.670 4.170 -0.000 0.000 0.351 517 I C -0.028 176.091 176.117 0.004 0.000 1.206 517 I CA -0.238 61.060 61.300 -0.003 0.000 1.527 517 I CB 0.101 38.105 38.000 0.007 0.000 1.694 517 I HN 0.106 nan 8.210 nan 0.000 0.585 518 N N 1.890 120.595 118.700 0.008 0.000 3.229 518 N HA 0.443 5.183 4.740 -0.000 0.000 0.275 518 N C -0.863 174.659 175.510 0.020 0.000 1.225 518 N CA -0.113 52.944 53.050 0.011 0.000 1.119 518 N CB 0.099 38.588 38.487 0.004 0.000 1.392 518 N HN 0.487 nan 8.380 nan 0.000 0.520 519 c N -0.338 118.276 118.600 0.024 0.000 3.459 519 c HA 0.478 5.048 4.570 -0.000 0.000 0.358 519 c C 0.333 174.447 174.090 0.040 0.000 2.992 519 c CA -0.904 55.446 56.329 0.036 0.000 1.568 519 c CB 0.852 43.386 42.510 0.039 0.000 3.388 519 c HN 0.516 nan 8.230 nan 0.000 0.515 520 E N 0.785 121.015 120.200 0.051 0.000 2.259 520 E HA 0.360 4.710 4.350 -0.000 0.000 0.281 520 E C -0.144 176.503 176.600 0.078 0.000 1.027 520 E CA -0.147 56.290 56.400 0.061 0.000 0.838 520 E CB 0.631 30.372 29.700 0.068 0.000 1.066 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.255 122.804 120.500 0.082 0.000 2.571 521 R HA 0.377 4.717 4.340 -0.000 0.000 0.259 521 R C -0.997 175.419 176.300 0.192 0.000 1.226 521 R CA -0.455 55.708 56.100 0.105 0.000 1.157 521 R CB 0.633 30.972 30.300 0.065 0.000 1.220 521 R HN 0.588 nan 8.270 nan 0.000 0.605 522 Y N 0.031 120.345 120.300 0.024 0.000 2.273 522 Y HA 0.024 4.574 4.550 -0.000 0.000 0.316 522 Y C -1.007 174.909 175.900 0.027 0.000 1.294 522 Y CA -0.713 57.405 58.100 0.030 0.000 1.198 522 Y CB 0.782 39.268 38.460 0.042 0.000 1.299 522 Y HN 0.825 nan 8.280 nan 0.000 0.413 523 N N 4.209 122.694 118.700 -0.357 0.000 2.725 523 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 523 N C 0.559 176.056 175.510 -0.022 0.000 1.031 523 N CA 2.331 55.262 53.050 -0.198 0.000 0.720 523 N CB -1.107 37.319 38.487 -0.102 0.000 0.930 523 N HN 1.880 nan 8.380 nan 0.000 0.543 524 G N -0.516 108.273 108.800 -0.019 0.000 2.305 524 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.287 524 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.287 524 G C -0.292 174.630 174.900 0.037 0.000 1.036 524 G CA 0.920 46.025 45.100 0.008 0.000 0.887 524 G HN 0.744 nan 8.290 nan 0.000 0.505 525 Q N -1.533 118.310 119.800 0.072 0.000 2.379 525 Q HA 0.500 4.840 4.340 -0.000 0.000 0.278 525 Q C 0.175 176.225 176.000 0.084 0.000 1.068 525 Q CA -0.869 54.980 55.803 0.077 0.000 0.816 525 Q CB 2.926 31.721 28.738 0.095 0.000 1.387 525 Q HN 0.703 nan 8.270 nan 0.000 0.413 526 V N -1.239 118.705 119.914 0.050 0.000 2.450 526 V HA 0.039 4.159 4.120 -0.000 0.000 0.281 526 V C 0.640 176.756 176.094 0.036 0.000 1.019 526 V CA -0.391 61.931 62.300 0.037 0.000 1.062 526 V CB -0.140 31.688 31.823 0.009 0.000 0.979 526 V HN 1.085 nan 8.190 nan 0.000 0.477 527 c N 3.019 121.650 118.600 0.052 0.000 4.252 527 c HA -0.109 4.461 4.570 -0.000 0.000 0.285 527 c C 1.644 175.743 174.090 0.016 0.000 1.466 527 c CA 1.267 57.619 56.329 0.037 0.000 1.946 527 c CB -2.138 40.378 42.510 0.009 0.000 1.366 527 c HN 2.700 nan 8.230 nan 0.000 0.783 528 G N -1.470 107.370 108.800 0.065 0.000 2.215 528 G HA2 0.441 4.401 3.960 -0.000 0.000 0.198 528 G HA3 0.441 4.401 3.960 -0.000 0.000 0.198 528 G C 0.889 175.806 174.900 0.029 0.000 1.047 528 G CA 0.494 45.618 45.100 0.040 0.000 0.747 528 G HN 2.712 nan 8.290 nan 0.000 0.495 529 G N -0.231 108.598 108.800 0.047 0.000 2.907 529 G HA2 0.069 4.029 3.960 -0.000 0.000 0.242 529 G HA3 0.069 4.029 3.960 -0.000 0.000 0.242 529 G C -0.485 174.416 174.900 0.003 0.000 1.448 529 G CA 0.306 45.421 45.100 0.024 0.000 0.911 529 G HN 0.837 nan 8.290 nan 0.000 0.553 530 P HA -0.018 nan 4.420 nan 0.000 0.223 530 P C 1.850 179.148 177.300 -0.004 0.000 1.151 530 P CA 1.979 65.087 63.100 0.013 0.000 0.787 530 P CB -0.266 31.433 31.700 -0.002 0.000 0.788 531 G N 0.914 109.671 108.800 -0.072 0.000 2.505 531 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 531 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 531 G C 1.793 176.506 174.900 -0.312 0.000 1.237 531 G CA 0.460 45.448 45.100 -0.188 0.000 0.802 531 G HN 0.165 nan 8.290 nan 0.000 0.549 532 R N 0.144 120.473 120.500 -0.286 0.000 2.082 532 R HA 0.150 4.490 4.340 -0.000 0.000 0.228 532 R C 1.595 177.746 176.300 -0.249 0.000 1.140 532 R CA 1.188 56.956 56.100 -0.554 0.000 0.920 532 R CB -0.467 29.646 30.300 -0.312 0.000 0.828 532 R HN 0.427 nan 8.270 nan 0.000 0.430 533 G N -1.181 107.579 108.800 -0.068 0.000 3.135 533 G HA2 0.637 4.597 3.960 -0.000 0.000 0.278 533 G HA3 0.637 4.597 3.960 -0.000 0.000 0.278 533 G C -1.465 173.389 174.900 -0.076 0.000 1.302 533 G CA -0.678 44.372 45.100 -0.083 0.000 0.880 533 G HN 0.031 nan 8.290 nan 0.000 0.574 534 L N -1.363 119.814 121.223 -0.076 0.000 2.403 534 L HA 0.604 4.944 4.340 -0.000 0.000 0.253 534 L C -1.003 175.851 176.870 -0.027 0.000 1.045 534 L CA -0.931 53.880 54.840 -0.048 0.000 0.845 534 L CB 2.517 44.584 42.059 0.012 0.000 1.447 534 L HN 0.695 nan 8.230 nan 0.000 0.411 535 c N 0.825 119.282 118.600 -0.239 0.000 2.351 535 c HA 0.739 5.309 4.570 -0.000 0.000 0.326 535 c C -1.105 172.674 174.090 -0.518 0.000 1.272 535 c CA -0.514 55.694 56.329 -0.202 0.000 1.650 535 c CB -0.146 42.282 42.510 -0.138 0.000 2.257 535 c HN 0.524 nan 8.230 nan 0.000 0.505 536 F N 4.741 124.763 119.950 0.120 0.000 3.164 536 F HA 0.332 4.859 4.527 -0.000 0.000 0.375 536 F C 0.533 176.449 175.800 0.194 0.000 1.257 536 F CA -0.471 57.651 58.000 0.205 0.000 1.171 536 F CB 0.883 39.977 39.000 0.157 0.000 1.588 536 F HN 0.942 nan 8.300 nan 0.000 0.604 537 c N 3.071 121.858 118.600 0.312 0.000 4.067 537 c HA 0.048 4.618 4.570 -0.000 0.000 0.305 537 c C 1.534 175.695 174.090 0.118 0.000 1.305 537 c CA 1.346 57.773 56.329 0.163 0.000 2.111 537 c CB -1.739 40.881 42.510 0.183 0.000 1.339 537 c HN 1.878 nan 8.230 nan 0.000 0.668 538 G N 0.863 109.718 108.800 0.091 0.000 2.900 538 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.223 538 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.223 538 G C 0.221 175.171 174.900 0.082 0.000 1.293 538 G CA 0.656 45.797 45.100 0.069 0.000 0.792 538 G HN 0.876 nan 8.290 nan 0.000 0.527 539 K N 0.595 121.059 120.400 0.107 0.000 2.237 539 K HA 0.511 4.831 4.320 -0.000 0.000 0.270 539 K C -0.249 176.430 176.600 0.132 0.000 1.015 539 K CA -0.172 56.178 56.287 0.105 0.000 0.949 539 K CB 1.198 33.758 32.500 0.100 0.000 0.976 539 K HN 0.299 nan 8.250 nan 0.000 0.472 540 c N 2.464 121.125 118.600 0.102 0.000 2.307 540 c HA 0.301 4.871 4.570 -0.000 0.000 0.340 540 c C 0.438 174.585 174.090 0.096 0.000 1.275 540 c CA -0.818 55.571 56.329 0.101 0.000 1.811 540 c CB -0.296 42.250 42.510 0.059 0.000 2.372 540 c HN 0.709 nan 8.230 nan 0.000 0.531 541 R N 2.243 122.822 120.500 0.133 0.000 2.593 541 R HA 0.256 4.596 4.340 -0.000 0.000 0.282 541 R C -0.442 175.841 176.300 -0.029 0.000 1.300 541 R CA -0.278 55.853 56.100 0.052 0.000 1.221 541 R CB 0.141 30.457 30.300 0.028 0.000 1.157 541 R HN 0.745 nan 8.270 nan 0.000 0.555 542 c N 2.170 120.762 118.600 -0.014 0.000 2.662 542 c HA 0.046 4.616 4.570 -0.000 0.000 0.420 542 c C 1.163 175.224 174.090 -0.048 0.000 1.314 542 c CA -0.389 55.924 56.329 -0.027 0.000 1.963 542 c CB -0.681 41.875 42.510 0.077 0.000 2.686 542 c HN 0.684 nan 8.230 nan 0.000 0.609 543 H N 2.437 121.456 119.070 -0.085 0.000 2.871 543 H HA 0.127 4.683 4.556 -0.000 0.000 0.377 543 H C -1.934 173.448 175.328 0.091 0.000 1.307 543 H CA 0.293 56.299 56.048 -0.070 0.000 1.449 543 H CB -0.160 29.460 29.762 -0.236 0.000 1.452 543 H HN 0.466 nan 8.280 nan 0.000 0.619 544 P HA 0.008 nan 4.420 nan 0.000 0.265 544 P C 0.602 178.122 177.300 0.366 0.000 1.193 544 P CA 1.332 64.566 63.100 0.223 0.000 0.765 544 P CB 0.541 32.329 31.700 0.147 0.000 0.823 545 G N 0.864 109.798 108.800 0.224 0.000 2.157 545 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 545 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 545 G C -0.327 174.478 174.900 -0.158 0.000 0.979 545 G CA -0.466 44.666 45.100 0.054 0.000 0.650 545 G HN 0.388 nan 8.290 nan 0.000 0.529 546 F N 1.121 121.077 119.950 0.010 0.000 2.539 546 F HA 0.616 5.143 4.527 -0.000 0.000 0.318 546 F C 0.175 175.969 175.800 -0.011 0.000 1.135 546 F CA -0.962 57.033 58.000 -0.008 0.000 0.915 546 F CB 1.722 40.717 39.000 -0.008 0.000 1.176 546 F HN 0.375 nan 8.300 nan 0.000 0.440 547 E N 1.237 121.501 120.200 0.107 0.000 2.404 547 E HA 0.921 5.271 4.350 -0.000 0.000 0.264 547 E C -0.283 176.349 176.600 0.053 0.000 0.946 547 E CA -1.437 55.004 56.400 0.068 0.000 0.806 547 E CB 2.600 32.321 29.700 0.034 0.000 1.334 547 E HN 0.891 nan 8.360 nan 0.000 0.429 548 G N -0.279 108.548 108.800 0.045 0.000 2.423 548 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.684 548 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.684 548 G C 0.264 175.193 174.900 0.048 0.000 1.309 548 G CA -0.191 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 -0.262 115.472 115.700 0.056 0.000 2.370 549 S HA 0.141 4.611 4.470 -0.000 0.000 0.226 549 S C 1.812 176.449 174.600 0.061 0.000 1.033 549 S CA 2.438 60.673 58.200 0.058 0.000 1.011 549 S CB -0.053 63.185 63.200 0.063 0.000 0.852 549 S HN 2.025 nan 8.310 nan 0.000 0.457 550 A N -0.695 122.165 122.820 0.067 0.000 2.806 550 A HA 0.518 4.838 4.320 -0.000 0.000 0.266 550 A C 0.548 178.121 177.584 -0.018 0.000 0.926 550 A CA -0.450 51.622 52.037 0.059 0.000 1.068 550 A CB -0.788 18.280 19.000 0.114 0.000 1.189 550 A HN 0.526 nan 8.150 nan 0.000 0.481 551 c N 0.030 118.613 118.600 -0.028 0.000 4.268 551 c HA -0.270 4.300 4.570 -0.000 0.000 0.299 551 c C 2.177 176.107 174.090 -0.266 0.000 1.429 551 c CA 1.398 57.676 56.329 -0.084 0.000 2.018 551 c CB -3.162 39.280 42.510 -0.112 0.000 1.277 551 c HN 0.891 nan 8.230 nan 0.000 0.767 552 Q N -0.744 119.021 119.800 -0.059 0.000 2.083 552 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 552 Q C 1.511 177.587 176.000 0.127 0.000 0.969 552 Q CA 1.686 57.572 55.803 0.138 0.000 0.838 552 Q CB -0.218 28.666 28.738 0.243 0.000 0.900 552 Q HN 0.748 nan 8.270 nan 0.000 0.436 553 c N 2.844 121.480 118.600 0.059 0.000 2.756 553 c HA 0.140 4.710 4.570 -0.000 0.000 0.504 553 c C 1.591 175.671 174.090 -0.017 0.000 1.028 553 c CA -0.491 55.860 56.329 0.035 0.000 1.167 553 c CB -1.693 40.830 42.510 0.023 0.000 1.444 553 c HN 0.625 nan 8.230 nan 0.000 0.577 554 E N 1.952 122.137 120.200 -0.025 0.000 2.086 554 E HA -0.170 4.180 4.350 -0.000 0.000 0.200 554 E C 0.678 177.085 176.600 -0.321 0.000 1.012 554 E CA 1.296 57.680 56.400 -0.027 0.000 0.812 554 E CB 0.229 29.947 29.700 0.031 0.000 0.743 554 E HN 0.703 nan 8.360 nan 0.000 0.453 555 R N -0.637 119.666 120.500 -0.328 0.000 2.589 555 R HA 0.168 4.508 4.340 -0.000 0.000 0.293 555 R C 0.379 176.519 176.300 -0.268 0.000 0.963 555 R CA -0.112 55.697 56.100 -0.485 0.000 0.905 555 R CB 1.596 31.680 30.300 -0.360 0.000 1.144 555 R HN -0.087 nan 8.270 nan 0.000 0.459 556 T N 0.895 115.293 114.554 -0.261 0.000 3.129 556 T HA -0.030 4.320 4.350 -0.000 0.000 0.251 556 T C 1.021 175.656 174.700 -0.107 0.000 1.117 556 T CA 0.641 62.661 62.100 -0.133 0.000 1.034 556 T CB -0.032 68.781 68.868 -0.091 0.000 0.968 556 T HN 0.790 nan 8.240 nan 0.000 0.526 557 T N -0.158 114.316 114.554 -0.134 0.000 2.773 557 T HA 0.282 4.631 4.350 -0.000 0.000 0.337 557 T C -0.033 174.626 174.700 -0.068 0.000 1.086 557 T CA -0.390 61.654 62.100 -0.093 0.000 0.998 557 T CB 0.447 69.254 68.868 -0.101 0.000 1.281 557 T HN 0.272 nan 8.240 nan 0.000 0.525 558 E N -0.591 119.578 120.200 -0.052 0.000 2.761 558 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 558 E C 0.559 177.139 176.600 -0.032 0.000 1.097 558 E CA -0.560 55.818 56.400 -0.038 0.000 0.773 558 E CB 0.736 30.419 29.700 -0.029 0.000 1.453 558 E HN 0.882 nan 8.360 nan 0.000 0.388 559 G N 0.348 109.129 108.800 -0.032 0.000 2.848 559 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.208 559 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.208 559 G C 1.124 176.013 174.900 -0.017 0.000 1.152 559 G CA 0.160 45.245 45.100 -0.024 0.000 0.789 559 G HN 0.513 nan 8.290 nan 0.000 0.531 560 c N 0.411 119.001 118.600 -0.017 0.000 2.491 560 c HA 0.281 4.851 4.570 -0.000 0.000 0.277 560 c C 1.252 175.334 174.090 -0.014 0.000 1.455 560 c CA -0.792 55.530 56.329 -0.012 0.000 1.758 560 c CB -1.406 41.097 42.510 -0.012 0.000 1.745 560 c HN 0.270 nan 8.230 nan 0.000 0.558 561 L N 3.073 124.287 121.223 -0.016 0.000 2.349 561 L HA 0.247 4.587 4.340 -0.000 0.000 0.275 561 L C 0.357 177.219 176.870 -0.014 0.000 1.115 561 L CA -0.121 54.710 54.840 -0.016 0.000 0.820 561 L CB 0.492 42.541 42.059 -0.017 0.000 1.135 561 L HN 0.400 nan 8.230 nan 0.000 0.445 562 N N 3.631 122.323 118.700 -0.013 0.000 2.495 562 N HA 0.375 5.115 4.740 -0.000 0.000 0.294 562 N C -2.231 173.272 175.510 -0.012 0.000 1.276 562 N CA -1.990 51.053 53.050 -0.012 0.000 0.973 562 N CB -0.548 37.933 38.487 -0.010 0.000 1.143 562 N HN 0.115 nan 8.380 nan 0.000 0.589 563 P HA -0.014 nan 4.420 nan 0.000 0.220 563 P C 0.976 178.270 177.300 -0.009 0.000 1.148 563 P CA 1.151 64.244 63.100 -0.011 0.000 0.803 563 P CB 0.176 31.870 31.700 -0.010 0.000 0.782 564 R N -0.651 119.843 120.500 -0.010 0.000 2.241 564 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 564 R C 0.498 176.791 176.300 -0.011 0.000 1.101 564 R CA 0.513 56.606 56.100 -0.011 0.000 0.995 564 R CB -0.714 29.577 30.300 -0.015 0.000 0.870 564 R HN 0.109 nan 8.270 nan 0.000 0.463 565 R N -0.535 119.958 120.500 -0.012 0.000 3.531 565 R HA -0.124 4.216 4.340 -0.000 0.000 0.280 565 R C -0.522 175.770 176.300 -0.013 0.000 1.130 565 R CA 0.590 56.683 56.100 -0.011 0.000 0.757 565 R CB -2.719 27.577 30.300 -0.008 0.000 1.218 565 R HN 0.207 nan 8.270 nan 0.000 0.454 566 V N 0.397 120.300 119.914 -0.017 0.000 2.487 566 V HA 0.279 4.399 4.120 -0.000 0.000 0.298 566 V C 0.318 176.398 176.094 -0.024 0.000 1.028 566 V CA -0.809 61.478 62.300 -0.022 0.000 0.860 566 V CB 1.746 33.553 31.823 -0.027 0.000 0.991 566 V HN 0.279 nan 8.190 nan 0.000 0.427 567 E N 4.434 124.620 120.200 -0.024 0.000 2.493 567 E HA 0.107 4.457 4.350 -0.000 0.000 0.255 567 E C 0.646 177.229 176.600 -0.028 0.000 0.999 567 E CA 0.465 56.852 56.400 -0.023 0.000 0.934 567 E CB 0.159 29.847 29.700 -0.020 0.000 0.940 567 E HN 0.974 nan 8.360 nan 0.000 0.473 568 c N 3.509 122.094 118.600 -0.024 0.000 4.274 568 c HA -0.273 4.297 4.570 -0.000 0.000 0.297 568 c C 1.573 175.633 174.090 -0.048 0.000 1.446 568 c CA 0.548 56.861 56.329 -0.026 0.000 2.016 568 c CB -3.228 39.269 42.510 -0.022 0.000 1.273 568 c HN 1.064 nan 8.230 nan 0.000 0.782 569 S N -0.817 114.854 115.700 -0.048 0.000 4.149 569 S HA -0.387 4.083 4.470 -0.000 0.000 0.539 569 S C 1.716 176.250 174.600 -0.110 0.000 1.811 569 S CA 2.293 60.452 58.200 -0.068 0.000 4.174 569 S CB -1.520 61.645 63.200 -0.059 0.000 0.756 569 S HN 1.560 nan 8.310 nan 0.000 0.470 570 G N 1.945 110.636 108.800 -0.182 0.000 2.556 570 G HA2 0.141 4.101 3.960 -0.000 0.000 0.215 570 G HA3 0.141 4.101 3.960 -0.000 0.000 0.215 570 G C 0.419 175.191 174.900 -0.213 0.000 1.258 570 G CA 0.998 45.944 45.100 -0.257 0.000 0.811 570 G HN 0.506 nan 8.290 nan 0.000 0.557 571 R N -0.887 119.475 120.500 -0.229 0.000 2.771 571 R HA 0.600 4.940 4.340 -0.000 0.000 0.274 571 R C -0.693 175.576 176.300 -0.053 0.000 0.987 571 R CA 0.095 56.122 56.100 -0.121 0.000 0.908 571 R CB 1.553 31.795 30.300 -0.096 0.000 1.213 571 R HN 0.872 nan 8.270 nan 0.000 0.468 572 G N 2.069 110.861 108.800 -0.013 0.000 2.952 572 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.431 572 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.431 572 G C -0.735 174.166 174.900 0.001 0.000 1.325 572 G CA -0.905 44.201 45.100 0.010 0.000 1.146 572 G HN 0.565 nan 8.290 nan 0.000 0.581 573 R N 0.833 121.339 120.500 0.010 0.000 2.756 573 R HA 0.367 4.707 4.340 -0.000 0.000 0.264 573 R C 0.430 176.732 176.300 0.004 0.000 1.026 573 R CA 0.274 56.377 56.100 0.005 0.000 1.121 573 R CB 0.533 30.839 30.300 0.010 0.000 0.999 573 R HN 0.789 nan 8.270 nan 0.000 0.449 574 c N 5.831 124.430 118.600 -0.002 0.000 2.125 574 c HA 0.401 4.971 4.570 -0.000 0.000 0.355 574 c C -0.289 173.800 174.090 -0.002 0.000 1.047 574 c CA -0.593 55.733 56.329 -0.004 0.000 1.501 574 c CB -1.250 41.254 42.510 -0.010 0.000 1.783 574 c HN 0.717 nan 8.230 nan 0.000 0.455 575 R N 3.746 124.249 120.500 0.005 0.000 2.215 575 R HA 0.396 4.736 4.340 -0.000 0.000 0.336 575 R C 0.413 176.719 176.300 0.010 0.000 0.996 575 R CA -0.264 55.840 56.100 0.008 0.000 0.847 575 R CB 0.521 30.831 30.300 0.016 0.000 1.127 575 R HN 0.842 nan 8.270 nan 0.000 0.465 576 c N 3.090 121.690 118.600 0.000 0.000 4.424 576 c HA -0.129 4.441 4.570 -0.000 0.000 0.304 576 c C 0.177 174.267 174.090 0.000 0.000 1.344 576 c CA 0.063 56.393 56.329 0.001 0.000 2.033 576 c CB -2.476 40.053 42.510 0.033 0.000 1.264 576 c HN 1.099 nan 8.230 nan 0.000 0.750 577 N N -2.328 116.363 118.700 -0.014 0.000 2.725 577 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 577 N C -0.484 175.026 175.510 0.001 0.000 1.103 577 N CA 1.390 54.432 53.050 -0.013 0.000 0.707 577 N CB -0.790 37.686 38.487 -0.018 0.000 1.043 577 N HN 0.849 nan 8.380 nan 0.000 0.553 578 V N -1.028 118.889 119.914 0.005 0.000 3.078 578 V HA 0.571 4.691 4.120 -0.000 0.000 0.311 578 V C 0.188 176.288 176.094 0.010 0.000 1.138 578 V CA -0.850 61.457 62.300 0.011 0.000 1.007 578 V CB 2.707 34.541 31.823 0.019 0.000 1.045 578 V HN 0.200 nan 8.190 nan 0.000 0.432 579 c N 1.289 119.897 118.600 0.013 0.000 2.411 579 c HA 0.529 5.099 4.570 -0.000 0.000 0.330 579 c C 0.502 174.606 174.090 0.023 0.000 1.224 579 c CA -0.603 55.735 56.329 0.014 0.000 1.770 579 c CB 0.997 43.514 42.510 0.012 0.000 2.297 579 c HN 0.994 nan 8.230 nan 0.000 0.507 580 E N 1.167 121.382 120.200 0.025 0.000 2.360 580 E HA 0.228 4.578 4.350 -0.000 0.000 0.253 580 E C -0.509 176.120 176.600 0.047 0.000 1.189 580 E CA -0.324 56.096 56.400 0.033 0.000 1.252 580 E CB 0.048 29.767 29.700 0.032 0.000 1.408 580 E HN 0.798 nan 8.360 nan 0.000 0.464 581 c N 3.359 121.992 118.600 0.055 0.000 2.523 581 c HA -0.038 4.532 4.570 -0.000 0.000 0.406 581 c C 1.031 175.191 174.090 0.116 0.000 1.449 581 c CA -0.386 55.994 56.329 0.084 0.000 1.588 581 c CB -1.079 41.511 42.510 0.132 0.000 2.514 581 c HN 0.618 nan 8.230 nan 0.000 0.606 582 H N 2.475 121.566 119.070 0.034 0.000 2.745 582 H HA 0.136 4.692 4.556 -0.000 0.000 0.373 582 H C 1.137 176.566 175.328 0.169 0.000 1.226 582 H CA 1.791 57.878 56.048 0.064 0.000 1.435 582 H CB 0.743 30.518 29.762 0.021 0.000 1.461 582 H HN 0.946 nan 8.280 nan 0.000 0.616 583 S N 0.808 116.290 115.700 -0.363 0.000 3.144 583 S HA -0.286 4.184 4.470 -0.000 0.000 0.629 583 S C 1.466 176.088 174.600 0.038 0.000 2.962 583 S CA 1.424 59.592 58.200 -0.053 0.000 3.700 583 S CB -1.486 61.879 63.200 0.275 0.000 0.286 583 S HN 1.028 nan 8.310 nan 0.000 1.464 584 G N -0.542 108.284 108.800 0.043 0.000 2.985 584 G HA2 0.281 4.241 3.960 -0.000 0.000 0.209 584 G HA3 0.281 4.241 3.960 -0.000 0.000 0.209 584 G C 0.124 175.016 174.900 -0.013 0.000 1.165 584 G CA 0.194 45.284 45.100 -0.017 0.000 0.776 584 G HN 0.577 nan 8.290 nan 0.000 0.541 585 Y N 1.246 121.558 120.300 0.019 0.000 2.702 585 Y HA 0.099 4.649 4.550 -0.000 0.000 0.336 585 Y C 1.161 177.069 175.900 0.013 0.000 1.235 585 Y CA 0.373 58.488 58.100 0.024 0.000 1.492 585 Y CB 0.572 39.054 38.460 0.038 0.000 1.308 585 Y HN 0.092 nan 8.280 nan 0.000 0.589 586 Q N 1.657 121.542 119.800 0.141 0.000 2.486 586 Q HA 0.454 4.794 4.340 -0.000 0.000 0.274 586 Q C -0.913 175.132 176.000 0.075 0.000 1.076 586 Q CA -1.173 54.676 55.803 0.076 0.000 0.872 586 Q CB 1.935 30.692 28.738 0.031 0.000 1.383 586 Q HN 0.465 nan 8.270 nan 0.000 0.478 587 L N 1.271 122.521 121.223 0.046 0.000 2.456 587 L HA 0.214 4.554 4.340 -0.000 0.000 0.257 587 L C -1.273 175.615 176.870 0.030 0.000 1.162 587 L CA -0.763 54.099 54.840 0.037 0.000 0.808 587 L CB -0.475 41.599 42.059 0.025 0.000 1.136 587 L HN 0.542 nan 8.230 nan 0.000 0.466 588 P HA 0.133 nan 4.420 nan 0.000 0.224 588 P C 0.989 178.303 177.300 0.022 0.000 1.159 588 P CA 0.754 63.866 63.100 0.020 0.000 0.824 588 P CB 0.383 32.090 31.700 0.012 0.000 0.833 589 L N -1.179 120.058 121.223 0.023 0.000 2.728 589 L HA 0.229 4.569 4.340 -0.000 0.000 0.238 589 L C -0.336 176.548 176.870 0.023 0.000 1.143 589 L CA -0.274 54.576 54.840 0.016 0.000 0.937 589 L CB -0.473 41.590 42.059 0.007 0.000 1.225 589 L HN -0.084 nan 8.230 nan 0.000 0.507 590 c N 1.492 120.125 118.600 0.055 0.000 3.756 590 c HA -0.116 4.454 4.570 -0.000 0.000 0.306 590 c C 1.545 175.705 174.090 0.117 0.000 1.131 590 c CA 0.647 57.033 56.329 0.095 0.000 2.333 590 c CB -2.066 40.455 42.510 0.019 0.000 1.414 590 c HN 0.784 nan 8.230 nan 0.000 0.576 591 Q N -0.028 119.889 119.800 0.196 0.000 2.599 591 Q HA 0.178 4.518 4.340 -0.000 0.000 0.229 591 Q C 0.245 176.425 176.000 0.300 0.000 0.800 591 Q CA 0.601 56.532 55.803 0.214 0.000 0.937 591 Q CB 0.213 29.008 28.738 0.095 0.000 1.285 591 Q HN 0.828 nan 8.270 nan 0.000 0.600 592 E N 1.189 121.481 120.200 0.153 0.000 2.105 592 E HA 0.265 4.615 4.350 -0.000 0.000 0.285 592 E C -1.013 175.531 176.600 -0.094 0.000 1.055 592 E CA -0.342 56.076 56.400 0.030 0.000 0.843 592 E CB 1.255 30.964 29.700 0.014 0.000 1.067 592 E HN 0.287 nan 8.360 nan 0.000 0.398 593 C N 7.042 126.133 119.300 -0.348 0.000 2.125 593 C HA 0.322 4.782 4.460 -0.000 0.000 0.355 593 C C -1.433 173.419 174.990 -0.231 0.000 1.047 593 C CA -2.141 56.596 59.018 -0.468 0.000 1.501 593 C CB -0.845 26.290 27.740 -1.008 0.000 1.783 593 C HN 0.633 nan 8.230 nan 0.000 0.455 594 P HA 0.021 nan 4.420 nan 0.000 0.226 594 P C 1.355 178.614 177.300 -0.068 0.000 1.146 594 P CA 1.462 64.516 63.100 -0.076 0.000 0.773 594 P CB 0.120 31.790 31.700 -0.050 0.000 0.772 595 G N -2.015 106.735 108.800 -0.085 0.000 2.762 595 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.209 595 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.209 595 G C 0.241 175.110 174.900 -0.052 0.000 1.134 595 G CA -0.075 44.990 45.100 -0.058 0.000 0.781 595 G HN 0.228 nan 8.290 nan 0.000 0.528 596 C N 2.425 121.676 119.300 -0.082 0.000 2.550 596 C HA 0.114 4.574 4.460 -0.000 0.000 0.406 596 C C 0.401 175.382 174.990 -0.016 0.000 1.366 596 C CA -0.568 58.420 59.018 -0.049 0.000 1.712 596 C CB 1.361 29.055 27.740 -0.078 0.000 2.613 596 C HN 0.399 nan 8.230 nan 0.000 0.608 597 P HA -0.038 nan 4.420 nan 0.000 0.213 597 P C 0.309 177.621 177.300 0.020 0.000 1.170 597 P CA 1.442 64.553 63.100 0.018 0.000 0.889 597 P CB 0.107 31.827 31.700 0.033 0.000 0.782 598 S N -0.954 114.767 115.700 0.036 0.000 4.065 598 S HA 0.024 4.494 4.470 -0.000 0.000 0.345 598 S C -2.725 171.901 174.600 0.043 0.000 0.731 598 S CA -0.689 57.528 58.200 0.028 0.000 1.019 598 S CB -1.733 61.473 63.200 0.010 0.000 0.548 598 S HN 0.099 nan 8.310 nan 0.000 0.746 599 P HA 0.343 nan 4.420 nan 0.000 0.268 599 P C 0.606 178.010 177.300 0.174 0.000 1.282 599 P CA -0.265 62.943 63.100 0.180 0.000 0.880 599 P CB 0.360 32.252 31.700 0.320 0.000 0.971 600 c N 2.573 121.280 118.600 0.178 0.000 2.700 600 c HA 0.209 4.779 4.570 -0.000 0.000 0.297 600 c C 1.715 176.013 174.090 0.346 0.000 1.293 600 c CA 0.571 57.040 56.329 0.232 0.000 1.756 600 c CB -0.435 42.156 42.510 0.136 0.000 2.210 600 c HN 0.655 nan 8.230 nan 0.000 0.553 601 G N 0.040 108.981 108.800 0.234 0.000 2.630 601 G HA2 0.312 4.272 3.960 -0.000 0.000 0.236 601 G HA3 0.312 4.272 3.960 -0.000 0.000 0.236 601 G C 0.466 175.421 174.900 0.092 0.000 1.248 601 G CA 0.265 45.451 45.100 0.144 0.000 0.844 601 G HN 0.627 nan 8.290 nan 0.000 0.588 602 K N -0.330 120.061 120.400 -0.015 0.000 3.572 602 K HA -0.267 4.053 4.320 -0.000 0.000 0.306 602 K C 0.871 177.298 176.600 -0.289 0.000 1.286 602 K CA 1.970 58.155 56.287 -0.169 0.000 1.010 602 K CB -1.116 31.217 32.500 -0.279 0.000 1.268 602 K HN 0.594 nan 8.250 nan 0.000 0.438 603 Y N -0.542 119.753 120.300 -0.008 0.000 2.462 603 Y HA 0.190 4.740 4.550 -0.000 0.000 0.253 603 Y C 2.051 177.902 175.900 -0.082 0.000 1.095 603 Y CA -0.192 57.872 58.100 -0.061 0.000 1.283 603 Y CB 0.397 38.806 38.460 -0.084 0.000 1.138 603 Y HN -0.011 nan 8.280 nan 0.000 0.522 604 I N -0.655 119.987 120.570 0.120 0.000 2.252 604 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 604 I C 2.522 178.664 176.117 0.041 0.000 1.102 604 I CA 1.439 62.784 61.300 0.075 0.000 1.385 604 I CB -1.250 36.816 38.000 0.111 0.000 1.064 604 I HN 0.164 nan 8.210 nan 0.000 0.414 605 S N -0.136 115.614 115.700 0.084 0.000 2.400 605 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 605 S C 2.124 176.689 174.600 -0.059 0.000 1.025 605 S CA 1.702 59.984 58.200 0.138 0.000 0.993 605 S CB -0.167 63.171 63.200 0.231 0.000 0.808 605 S HN 0.532 nan 8.310 nan 0.000 0.478 606 c N 0.846 119.410 118.600 -0.060 0.000 2.634 606 c HA 0.529 5.099 4.570 -0.000 0.000 0.268 606 c C 2.888 176.913 174.090 -0.109 0.000 1.322 606 c CA -0.154 56.122 56.329 -0.088 0.000 1.737 606 c CB -1.138 41.343 42.510 -0.049 0.000 1.976 606 c HN 0.716 nan 8.230 nan 0.000 0.547 607 A N 1.823 124.555 122.820 -0.146 0.000 1.929 607 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 607 A C 2.026 179.538 177.584 -0.120 0.000 1.176 607 A CA 1.593 53.492 52.037 -0.230 0.000 0.628 607 A CB -0.500 18.206 19.000 -0.490 0.000 0.816 607 A HN 0.801 nan 8.150 nan 0.000 0.444 608 E N -1.538 118.597 120.200 -0.108 0.000 2.489 608 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 608 E C 1.246 177.798 176.600 -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 0.435 nan 8.360 nan 0.000 0.500 609 c N 0.123 118.647 118.600 -0.126 0.000 2.926 609 c HA 0.376 4.946 4.570 -0.000 0.000 0.272 609 c C 1.580 175.625 174.090 -0.075 0.000 1.249 609 c CA -0.192 56.050 56.329 -0.144 0.000 1.691 609 c CB -0.812 41.582 42.510 -0.193 0.000 1.983 609 c HN 0.545 nan 8.230 nan 0.000 0.615 610 L N -0.034 121.162 121.223 -0.045 0.000 2.670 610 L HA 0.275 4.615 4.340 -0.000 0.000 0.177 610 L C 2.337 179.195 176.870 -0.020 0.000 1.181 610 L CA 0.297 55.118 54.840 -0.032 0.000 0.856 610 L CB -0.959 41.079 42.059 -0.034 0.000 1.205 610 L HN -0.050 nan 8.230 nan 0.000 0.506 611 K N 1.031 121.433 120.400 0.004 0.000 1.967 611 K HA -0.028 4.291 4.320 -0.000 0.000 0.212 611 K C 0.449 177.011 176.600 -0.063 0.000 1.044 611 K CA 1.392 57.663 56.287 -0.027 0.000 0.942 611 K CB -0.570 31.946 32.500 0.028 0.000 0.726 611 K HN -0.132 nan 8.250 nan 0.000 0.440 612 F N 1.587 121.489 119.950 -0.079 0.000 2.403 612 F HA 0.233 4.760 4.527 -0.000 0.000 0.320 612 F C 0.782 176.537 175.800 -0.076 0.000 1.176 612 F CA -0.214 57.749 58.000 -0.062 0.000 1.206 612 F CB 0.538 39.510 39.000 -0.048 0.000 1.235 612 F HN 0.044 nan 8.300 nan 0.000 0.565 613 E N 1.396 121.661 120.200 0.108 0.000 3.170 613 E HA 0.077 4.427 4.350 -0.000 0.000 0.212 613 E C -0.311 176.298 176.600 0.015 0.000 1.143 613 E CA -0.092 56.321 56.400 0.020 0.000 1.139 613 E CB 0.703 30.399 29.700 -0.006 0.000 1.346 613 E HN 0.493 nan 8.360 nan 0.000 0.432 614 K N 0.561 120.954 120.400 -0.011 0.000 2.965 614 K HA 0.249 4.569 4.320 -0.000 0.000 0.216 614 K C 0.047 176.548 176.600 -0.164 0.000 1.164 614 K CA 0.016 56.291 56.287 -0.020 0.000 1.153 614 K CB 0.054 32.571 32.500 0.029 0.000 1.045 614 K HN 0.480 nan 8.250 nan 0.000 0.460 615 G N 3.102 111.786 108.800 -0.193 0.000 3.316 615 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.445 615 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.445 615 G C -2.707 171.820 174.900 -0.623 0.000 1.002 615 G CA -0.954 43.990 45.100 -0.259 0.000 0.818 615 G HN 0.215 nan 8.290 nan 0.000 0.404 616 P HA 0.119 nan 4.420 nan 0.000 0.259 616 P C 0.848 178.014 177.300 -0.223 0.000 1.211 616 P CA 0.263 63.161 63.100 -0.336 0.000 0.810 616 P CB 0.057 31.665 31.700 -0.154 0.000 0.815 617 F N 2.421 122.358 119.950 -0.022 0.000 2.012 617 F HA -0.035 4.492 4.527 -0.000 0.000 0.289 617 F C 2.836 178.622 175.800 -0.022 0.000 1.185 617 F CA 1.022 59.008 58.000 -0.023 0.000 1.149 617 F CB -1.377 37.605 39.000 -0.030 0.000 0.994 617 F HN 0.273 nan 8.300 nan 0.000 0.481 618 G N -0.128 108.790 108.800 0.195 0.000 2.606 618 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.221 618 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.221 618 G C 1.059 175.992 174.900 0.055 0.000 1.152 618 G CA 1.896 47.050 45.100 0.090 0.000 0.765 618 G HN 0.346 nan 8.290 nan 0.000 0.595 619 K N -2.185 118.237 120.400 0.037 0.000 2.359 619 K HA 0.267 4.587 4.320 -0.000 0.000 0.315 619 K C 0.135 176.735 176.600 0.001 0.000 1.027 619 K CA -0.545 55.752 56.287 0.018 0.000 0.806 619 K CB 0.100 32.604 32.500 0.008 0.000 3.499 619 K HN 0.112 nan 8.250 nan 0.000 1.216 620 N N -0.566 118.126 118.700 -0.013 0.000 2.992 620 N HA 0.480 5.220 4.740 -0.000 0.000 0.338 620 N C -1.089 174.395 175.510 -0.043 0.000 1.376 620 N CA -0.535 52.496 53.050 -0.031 0.000 0.778 620 N CB 1.177 39.650 38.487 -0.023 0.000 1.232 620 N HN 0.409 nan 8.380 nan 0.000 0.581 621 c N -1.790 116.781 118.600 -0.047 0.000 3.235 621 c HA 0.564 5.134 4.570 -0.000 0.000 0.351 621 c C 0.301 174.375 174.090 -0.026 0.000 1.520 621 c CA -0.150 56.152 56.329 -0.045 0.000 1.474 621 c CB 0.950 43.419 42.510 -0.068 0.000 2.019 621 c HN 0.836 nan 8.230 nan 0.000 0.446 622 S N -1.000 114.689 115.700 -0.018 0.000 3.261 622 S HA -0.226 4.243 4.470 -0.000 0.000 0.287 622 S C 0.330 174.929 174.600 -0.002 0.000 1.281 622 S CA 1.359 59.555 58.200 -0.006 0.000 1.053 622 S CB -1.636 61.560 63.200 -0.007 0.000 1.251 622 S HN 1.299 nan 8.310 nan 0.000 0.659 623 A N -0.365 122.452 122.820 -0.005 0.000 1.780 623 A HA 0.787 5.106 4.320 -0.000 0.000 0.208 623 A C 1.385 178.968 177.584 -0.002 0.000 1.761 623 A CA 0.782 52.818 52.037 -0.002 0.000 1.183 623 A CB -0.407 18.590 19.000 -0.005 0.000 1.162 623 A HN 1.236 nan 8.150 nan 0.000 0.472 624 A N -1.000 121.814 122.820 -0.009 0.000 2.415 624 A HA 0.451 4.771 4.320 -0.000 0.000 0.248 624 A C 0.284 177.859 177.584 -0.016 0.000 1.299 624 A CA 0.546 52.575 52.037 -0.013 0.000 0.899 624 A CB -0.936 18.054 19.000 -0.016 0.000 0.997 624 A HN 0.665 nan 8.150 nan 0.000 0.506 625 c N 0.236 118.834 118.600 -0.002 0.000 3.421 625 c HA 0.275 4.845 4.570 -0.000 0.000 0.194 625 c C -1.909 172.206 174.090 0.042 0.000 1.418 625 c CA -0.804 55.532 56.329 0.013 0.000 1.226 625 c CB 0.393 42.899 42.510 -0.007 0.000 1.875 625 c HN 0.457 nan 8.230 nan 0.000 0.561 626 P HA 0.031 nan 4.420 nan 0.000 0.251 626 P C 1.018 178.388 177.300 0.117 0.000 1.251 626 P CA 0.843 63.987 63.100 0.073 0.000 0.763 626 P CB -0.097 31.644 31.700 0.068 0.000 1.067 627 G N 0.876 109.766 108.800 0.149 0.000 3.197 627 G HA2 0.040 4.000 3.960 -0.000 0.000 0.257 627 G HA3 0.040 4.000 3.960 -0.000 0.000 0.257 627 G C 0.937 175.905 174.900 0.113 0.000 0.835 627 G CA -0.328 44.887 45.100 0.191 0.000 2.001 627 G HN 0.131 nan 8.290 nan 0.000 0.625 628 L N 0.011 121.285 121.223 0.085 0.000 2.129 628 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 628 L C 1.634 178.534 176.870 0.049 0.000 1.087 628 L CA 1.487 56.359 54.840 0.053 0.000 0.757 628 L CB -0.262 41.822 42.059 0.041 0.000 0.896 628 L HN 0.426 nan 8.230 nan 0.000 0.434 629 Q N -0.620 119.217 119.800 0.063 0.000 2.235 629 Q HA 0.391 4.731 4.340 -0.000 0.000 0.250 629 Q C -0.822 175.217 176.000 0.066 0.000 0.909 629 Q CA -0.272 55.566 55.803 0.059 0.000 0.910 629 Q CB 1.800 30.575 28.738 0.061 0.000 1.223 629 Q HN 0.132 nan 8.270 nan 0.000 0.432 630 L N 2.113 123.372 121.223 0.060 0.000 2.669 630 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 630 L C -0.563 176.364 176.870 0.095 0.000 1.441 630 L CA -0.080 54.801 54.840 0.068 0.000 0.745 630 L CB 0.910 42.988 42.059 0.033 0.000 1.044 630 L HN 0.666 nan 8.230 nan 0.000 0.523 631 S N -0.352 115.414 115.700 0.110 0.000 2.571 631 S HA -0.010 4.460 4.470 -0.000 0.000 0.298 631 S C 0.584 175.293 174.600 0.181 0.000 1.280 631 S CA 0.040 58.308 58.200 0.113 0.000 1.052 631 S CB 0.188 63.444 63.200 0.093 0.000 0.799 631 S HN 0.536 nan 8.310 nan 0.000 0.501 632 N N 3.446 122.231 118.700 0.142 0.000 3.091 632 N HA 0.255 4.995 4.740 -0.000 0.000 0.301 632 N C -0.795 174.773 175.510 0.096 0.000 1.325 632 N CA -0.050 53.111 53.050 0.185 0.000 1.143 632 N CB -0.695 37.861 38.487 0.113 0.000 1.450 632 N HN 0.507 nan 8.380 nan 0.000 0.542 633 N N -0.333 118.383 118.700 0.026 0.000 2.494 633 N HA 0.335 5.075 4.740 -0.000 0.000 0.270 633 N C -2.754 172.543 175.510 -0.354 0.000 1.285 633 N CA -1.289 51.675 53.050 -0.143 0.000 0.812 633 N CB 1.964 40.419 38.487 -0.053 0.000 1.557 633 N HN -0.157 nan 8.380 nan 0.000 0.487 634 P HA 0.039 nan 4.420 nan 0.000 0.231 634 P C 0.211 177.426 177.300 -0.142 0.000 1.756 634 P CA -0.159 62.741 63.100 -0.334 0.000 0.990 634 P CB -0.295 31.272 31.700 -0.221 0.000 1.973 635 V N -1.246 118.621 119.914 -0.078 0.000 3.237 635 V HA 0.352 4.472 4.120 -0.000 0.000 0.305 635 V C 0.406 176.518 176.094 0.029 0.000 1.096 635 V CA -0.053 62.250 62.300 0.006 0.000 1.130 635 V CB 0.706 32.564 31.823 0.058 0.000 1.048 635 V HN 0.176 nan 8.190 nan 0.000 0.484 636 K N 0.444 120.867 120.400 0.038 0.000 2.499 636 K HA 0.735 5.055 4.320 -0.000 0.000 0.284 636 K C 0.396 177.022 176.600 0.044 0.000 1.039 636 K CA -0.437 55.875 56.287 0.042 0.000 0.873 636 K CB 1.642 34.153 32.500 0.019 0.000 1.545 636 K HN 1.101 nan 8.250 nan 0.000 0.402 637 G N 0.309 109.130 108.800 0.036 0.000 3.151 637 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.197 637 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.197 637 G C -0.502 174.416 174.900 0.030 0.000 1.682 637 G CA -0.584 44.535 45.100 0.033 0.000 1.205 637 G HN 0.266 nan 8.290 nan 0.000 0.510 638 R N 2.215 122.741 120.500 0.043 0.000 4.017 638 R HA 0.351 4.691 4.340 -0.000 0.000 0.272 638 R C 0.294 176.600 176.300 0.010 0.000 1.516 638 R CA 0.292 56.410 56.100 0.029 0.000 1.519 638 R CB 0.015 30.342 30.300 0.045 0.000 1.422 638 R HN 0.384 nan 8.270 nan 0.000 0.719 639 T N 0.875 115.429 114.554 -0.000 0.000 2.640 639 T HA -0.071 4.279 4.350 -0.000 0.000 0.252 639 T C 0.358 175.012 174.700 -0.075 0.000 1.038 639 T CA 0.293 62.379 62.100 -0.023 0.000 1.307 639 T CB -0.726 68.130 68.868 -0.019 0.000 1.014 639 T HN 0.431 nan 8.240 nan 0.000 0.523 640 c N 5.478 123.989 118.600 -0.149 0.000 2.358 640 c HA 0.819 5.389 4.570 -0.000 0.000 0.354 640 c C -0.177 173.644 174.090 -0.449 0.000 1.183 640 c CA -0.772 55.385 56.329 -0.287 0.000 2.150 640 c CB 0.827 43.131 42.510 -0.343 0.000 2.361 640 c HN 1.046 nan 8.230 nan 0.000 0.535 641 K N 3.653 123.831 120.400 -0.370 0.000 2.805 641 K HA 0.280 4.600 4.320 -0.000 0.000 0.276 641 K C -0.814 175.740 176.600 -0.076 0.000 1.209 641 K CA -0.120 56.007 56.287 -0.266 0.000 1.065 641 K CB 0.310 32.735 32.500 -0.124 0.000 1.363 641 K HN 0.812 nan 8.250 nan 0.000 0.546 642 E N 1.548 121.709 120.200 -0.065 0.000 2.518 642 E HA 0.489 4.839 4.350 -0.000 0.000 0.241 642 E C -0.114 176.558 176.600 0.119 0.000 0.899 642 E CA -0.781 55.676 56.400 0.096 0.000 0.888 642 E CB 1.015 30.768 29.700 0.089 0.000 1.426 642 E HN 0.444 nan 8.360 nan 0.000 0.401 643 R N 0.565 121.063 120.500 -0.004 0.000 2.606 643 R HA 0.246 4.586 4.340 -0.000 0.000 0.249 643 R C 0.249 176.502 176.300 -0.079 0.000 1.127 643 R CA -0.588 55.407 56.100 -0.174 0.000 1.133 643 R CB 0.344 30.396 30.300 -0.413 0.000 1.243 643 R HN 0.571 nan 8.270 nan 0.000 0.558 644 D N -0.958 119.360 120.400 -0.136 0.000 2.541 644 D HA 0.006 4.646 4.640 -0.000 0.000 0.276 644 D C 0.817 177.083 176.300 -0.057 0.000 1.190 644 D CA -0.337 53.613 54.000 -0.083 0.000 1.095 644 D CB -0.224 40.495 40.800 -0.136 0.000 1.173 644 D HN 0.402 nan 8.370 nan 0.000 0.604 645 S N -1.690 114.014 115.700 0.007 0.000 2.436 645 S HA -0.032 4.438 4.470 -0.000 0.000 0.228 645 S C 0.429 174.979 174.600 -0.083 0.000 1.014 645 S CA 0.392 58.589 58.200 -0.004 0.000 0.950 645 S CB -0.419 62.891 63.200 0.183 0.000 0.784 645 S HN 0.562 nan 8.310 nan 0.000 0.504 646 E N 0.254 120.406 120.200 -0.080 0.000 3.074 646 E HA 0.459 4.809 4.350 -0.000 0.000 0.287 646 E C 0.391 176.914 176.600 -0.129 0.000 1.194 646 E CA -0.127 56.214 56.400 -0.098 0.000 0.836 646 E CB 0.851 30.516 29.700 -0.058 0.000 1.468 646 E HN 0.358 nan 8.360 nan 0.000 0.383 647 G N 1.146 109.825 108.800 -0.202 0.000 4.365 647 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.214 647 G HA3 -0.332 3.628 3.960 -0.000 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 -0.280 0.000 0.937 647 G HN 0.539 nan 8.290 nan 0.000 0.625 648 c N 2.592 121.055 118.600 -0.228 0.000 2.596 648 c HA 0.275 4.845 4.570 -0.000 0.000 0.414 648 c C 0.956 174.948 174.090 -0.163 0.000 1.396 648 c CA -0.307 55.941 56.329 -0.134 0.000 1.698 648 c CB -0.909 41.568 42.510 -0.055 0.000 2.572 648 c HN 0.326 nan 8.230 nan 0.000 0.604 649 W N 4.406 125.686 121.300 -0.032 0.000 2.585 649 W HA 0.327 4.987 4.660 -0.000 0.000 0.337 649 W C -0.460 176.037 176.519 -0.036 0.000 1.226 649 W CA -0.106 57.221 57.345 -0.030 0.000 1.463 649 W CB 0.261 29.707 29.460 -0.023 0.000 1.458 649 W HN 0.399 nan 8.180 nan 0.000 0.458 650 V N 4.593 124.577 119.914 0.116 0.000 2.408 650 V HA 0.322 4.442 4.120 -0.000 0.000 0.267 650 V C 0.713 176.905 176.094 0.164 0.000 1.047 650 V CA -0.630 61.723 62.300 0.089 0.000 0.937 650 V CB 0.375 32.197 31.823 -0.003 0.000 0.999 650 V HN 0.493 nan 8.190 nan 0.000 0.472 651 A N 5.991 128.893 122.820 0.136 0.000 2.302 651 A HA 0.913 5.233 4.320 -0.000 0.000 0.285 651 A C -0.724 176.955 177.584 0.158 0.000 1.105 651 A CA -0.361 51.698 52.037 0.037 0.000 0.816 651 A CB 0.587 19.620 19.000 0.055 0.000 1.067 651 A HN 1.370 nan 8.150 nan 0.000 0.489 652 Y N -1.358 118.982 120.300 0.067 0.000 2.380 652 Y HA 0.465 5.015 4.550 -0.000 0.000 0.320 652 Y C -0.067 175.877 175.900 0.074 0.000 1.272 652 Y CA -0.592 57.552 58.100 0.073 0.000 1.165 652 Y CB -0.209 38.272 38.460 0.036 0.000 1.319 652 Y HN 0.897 nan 8.280 nan 0.000 0.443 653 T N 0.673 115.376 114.554 0.248 0.000 2.732 653 T HA 0.632 4.982 4.350 -0.000 0.000 0.287 653 T C -0.877 173.966 174.700 0.237 0.000 0.993 653 T CA -0.412 61.791 62.100 0.172 0.000 0.966 653 T CB 1.528 70.487 68.868 0.151 0.000 1.047 653 T HN 1.099 nan 8.240 nan 0.000 0.527 654 L N 0.747 122.064 121.223 0.157 0.000 2.564 654 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 654 L C -0.625 176.341 176.870 0.159 0.000 1.101 654 L CA -0.257 54.671 54.840 0.147 0.000 0.900 654 L CB 1.100 43.202 42.059 0.072 0.000 1.110 654 L HN 0.970 nan 8.230 nan 0.000 0.468 655 E N 3.415 123.713 120.200 0.163 0.000 2.001 655 E HA 0.190 4.540 4.350 -0.000 0.000 0.279 655 E C -0.278 176.416 176.600 0.157 0.000 1.045 655 E CA -0.257 56.224 56.400 0.136 0.000 0.833 655 E CB 0.700 30.456 29.700 0.093 0.000 1.077 655 E HN 0.680 nan 8.360 nan 0.000 0.397 656 Q N 3.162 123.058 119.800 0.160 0.000 2.492 656 Q HA 0.010 4.350 4.340 -0.000 0.000 0.238 656 Q C -0.807 175.148 176.000 -0.076 0.000 1.045 656 Q CA 0.207 55.982 55.803 -0.046 0.000 0.934 656 Q CB 0.735 29.402 28.738 -0.119 0.000 1.276 656 Q HN 0.446 nan 8.270 nan 0.000 0.521 657 Q N 2.184 121.884 119.800 -0.166 0.000 2.280 657 Q HA 0.211 4.551 4.340 -0.000 0.000 0.259 657 Q C -1.067 174.865 176.000 -0.114 0.000 0.964 657 Q CA -0.254 55.494 55.803 -0.091 0.000 0.844 657 Q CB 1.732 30.442 28.738 -0.047 0.000 1.334 657 Q HN 0.869 nan 8.270 nan 0.000 0.423 658 D N 0.966 121.316 120.400 -0.083 0.000 4.230 658 D HA -0.220 4.420 4.640 -0.000 0.000 0.138 658 D C 0.406 176.629 176.300 -0.128 0.000 0.772 658 D CA 2.058 56.006 54.000 -0.086 0.000 1.136 658 D CB -0.988 39.772 40.800 -0.067 0.000 0.547 658 D HN 0.710 nan 8.370 nan 0.000 0.537 659 G N -0.352 108.375 108.800 -0.121 0.000 2.338 659 G HA2 0.517 4.477 3.960 -0.000 0.000 0.298 659 G HA3 0.517 4.477 3.960 -0.000 0.000 0.298 659 G C 0.862 175.682 174.900 -0.133 0.000 1.140 659 G CA 0.449 45.471 45.100 -0.130 0.000 0.860 659 G HN 0.414 nan 8.290 nan 0.000 0.470 660 M N 0.997 120.512 119.600 -0.142 0.000 7.319 660 M HA -0.208 4.272 4.480 -0.000 0.000 0.191 660 M C 0.047 176.311 176.300 -0.060 0.000 0.480 660 M CA 1.466 56.716 55.300 -0.083 0.000 1.311 660 M CB -1.251 31.318 32.600 -0.051 0.000 0.421 660 M HN 0.526 nan 8.290 nan 0.000 0.563 661 D N 2.508 122.925 120.400 0.029 0.000 3.134 661 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 661 D C -0.011 176.347 176.300 0.098 0.000 1.273 661 D CA 0.207 54.309 54.000 0.170 0.000 0.904 661 D CB -0.075 40.898 40.800 0.289 0.000 1.089 661 D HN 0.151 nan 8.370 nan 0.000 0.478 662 R N 1.000 121.383 120.500 -0.196 0.000 2.346 662 R HA 0.519 4.858 4.340 -0.000 0.000 0.311 662 R C -0.504 175.556 176.300 -0.401 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 -0.118 0.000 1.100 662 R HN 0.116 nan 8.270 nan 0.000 0.453 663 Y N 0.702 121.028 120.300 0.045 0.000 2.715 663 Y HA 0.557 5.107 4.550 -0.000 0.000 0.331 663 Y C -0.705 175.216 175.900 0.035 0.000 1.197 663 Y CA -1.158 56.963 58.100 0.035 0.000 1.079 663 Y CB 1.665 40.141 38.460 0.025 0.000 1.298 663 Y HN 0.385 nan 8.280 nan 0.000 0.477 664 L N 2.069 123.436 121.223 0.240 0.000 2.596 664 L HA 0.677 5.017 4.340 -0.000 0.000 0.265 664 L C -2.224 174.737 176.870 0.153 0.000 0.962 664 L CA -0.178 54.751 54.840 0.149 0.000 0.891 664 L CB 0.803 42.925 42.059 0.106 0.000 1.248 664 L HN 0.449 nan 8.230 nan 0.000 0.410 665 I N 4.311 124.960 120.570 0.132 0.000 2.693 665 I HA 0.506 4.676 4.170 -0.000 0.000 0.303 665 I C -1.264 174.969 176.117 0.193 0.000 1.025 665 I CA -0.612 60.772 61.300 0.138 0.000 1.086 665 I CB 1.964 39.991 38.000 0.045 0.000 1.268 665 I HN 0.580 nan 8.210 nan 0.000 0.440 666 Y N 4.526 124.884 120.300 0.097 0.000 2.402 666 Y HA 0.638 5.188 4.550 -0.000 0.000 0.325 666 Y C -1.220 174.768 175.900 0.148 0.000 1.009 666 Y CA -0.977 57.181 58.100 0.096 0.000 1.278 666 Y CB 1.123 39.632 38.460 0.082 0.000 1.105 666 Y HN 0.311 nan 8.280 nan 0.000 0.476 667 V N 5.804 125.550 119.914 -0.279 0.000 2.415 667 V HA 0.029 4.149 4.120 -0.000 0.000 0.267 667 V C 0.318 176.215 176.094 -0.328 0.000 1.042 667 V CA -0.328 61.900 62.300 -0.120 0.000 1.000 667 V CB 0.281 32.115 31.823 0.019 0.000 1.015 667 V HN 0.758 nan 8.190 nan 0.000 0.478 668 D N 4.749 125.082 120.400 -0.113 0.000 2.629 668 D HA -0.109 4.531 4.640 -0.000 0.000 0.228 668 D C 0.934 177.274 176.300 0.067 0.000 1.127 668 D CA 0.167 54.154 54.000 -0.022 0.000 0.855 668 D CB 0.729 41.622 40.800 0.155 0.000 1.180 668 D HN 0.812 nan 8.370 nan 0.000 0.484 669 E N 1.594 121.807 120.200 0.022 0.000 1.972 669 E HA 0.248 4.598 4.350 -0.000 0.000 0.292 669 E C -0.499 176.189 176.600 0.147 0.000 1.193 669 E CA -0.579 55.838 56.400 0.029 0.000 1.228 669 E CB -0.179 29.506 29.700 -0.025 0.000 1.167 669 E HN 0.167 nan 8.360 nan 0.000 0.479 670 S N 1.892 117.776 115.700 0.306 0.000 2.611 670 S HA 0.536 5.006 4.470 -0.000 0.000 0.270 670 S C -1.424 173.333 174.600 0.261 0.000 1.131 670 S CA -0.850 57.498 58.200 0.246 0.000 0.826 670 S CB 1.437 64.733 63.200 0.160 0.000 1.095 670 S HN 0.497 nan 8.310 nan 0.000 0.461 671 R N 0.404 121.011 120.500 0.178 0.000 2.781 671 R HA 0.593 4.933 4.340 -0.000 0.000 0.268 671 R C -1.543 174.840 176.300 0.140 0.000 1.047 671 R CA -0.917 55.254 56.100 0.118 0.000 0.925 671 R CB 1.729 32.071 30.300 0.069 0.000 1.246 671 R HN 0.697 nan 8.270 nan 0.000 0.456 672 E N 0.596 120.898 120.200 0.171 0.000 2.738 672 E HA 0.237 4.587 4.350 -0.000 0.000 0.347 672 E C -1.253 175.506 176.600 0.266 0.000 1.077 672 E CA -0.344 56.198 56.400 0.236 0.000 0.755 672 E CB 1.221 31.113 29.700 0.319 0.000 1.576 672 E HN 0.349 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 4.570 4.570 -0.000 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