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_H 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 0.000 176.007 176.000 0.011 0.000 1.003 1 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 1 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 2 E N 0.175 120.381 120.200 0.010 0.000 2.481 2 E HA 0.534 4.884 4.350 -0.001 0.000 0.301 2 E C -1.638 174.965 176.600 0.005 0.000 0.948 2 E CA -0.676 55.729 56.400 0.007 0.000 0.804 2 E CB 1.712 31.413 29.700 0.001 0.000 1.265 2 E HN 0.286 nan 8.360 nan 0.000 0.406 3 c N 3.029 121.634 118.600 0.009 0.000 3.096 3 c HA 0.353 4.922 4.570 -0.001 0.000 0.391 3 c C -0.974 173.130 174.090 0.022 0.000 1.085 3 c CA 0.010 56.345 56.329 0.011 0.000 1.289 3 c CB 0.304 42.829 42.510 0.025 0.000 1.685 3 c HN 0.793 nan 8.230 nan 0.000 0.515 4 T N 5.059 119.616 114.554 0.006 0.000 2.799 4 T HA 0.343 4.692 4.350 -0.001 0.000 0.286 4 T C -0.185 174.547 174.700 0.053 0.000 0.973 4 T CA -0.312 61.809 62.100 0.035 0.000 1.035 4 T CB 1.060 69.941 68.868 0.023 0.000 0.932 4 T HN 0.650 nan 8.240 nan 0.000 0.469 5 K N 2.584 123.050 120.400 0.110 0.000 2.349 5 K HA 0.289 4.608 4.320 -0.001 0.000 0.289 5 K C -0.346 176.350 176.600 0.160 0.000 1.064 5 K CA -0.356 56.011 56.287 0.133 0.000 0.947 5 K CB 0.453 33.036 32.500 0.138 0.000 1.007 5 K HN 0.468 nan 8.250 nan 0.000 0.478 6 F N 2.371 122.293 119.950 -0.048 0.000 2.348 6 F HA 0.163 4.689 4.527 -0.001 0.000 0.308 6 F C 0.679 176.430 175.800 -0.082 0.000 1.175 6 F CA -0.802 57.110 58.000 -0.147 0.000 1.080 6 F CB 0.639 39.546 39.000 -0.156 0.000 1.341 6 F HN 0.290 nan 8.300 nan 0.000 0.518 7 K N 2.064 121.787 120.400 -1.128 0.000 2.366 7 K HA 0.141 4.460 4.320 -0.001 0.000 0.272 7 K C -1.433 175.131 176.600 -0.060 0.000 1.151 7 K CA 0.032 56.004 56.287 -0.526 0.000 1.173 7 K CB -0.391 31.713 32.500 -0.659 0.000 0.853 7 K HN 0.432 nan 8.250 nan 0.000 0.473 8 V N 4.580 124.502 119.914 0.014 0.000 2.304 8 V HA 0.040 4.159 4.120 -0.001 0.000 0.269 8 V C 0.820 176.959 176.094 0.074 0.000 1.036 8 V CA -0.132 62.223 62.300 0.093 0.000 0.840 8 V CB 0.872 32.805 31.823 0.183 0.000 1.036 8 V HN 0.882 nan 8.190 nan 0.000 0.466 9 S N 3.315 119.031 115.700 0.028 0.000 2.514 9 S HA 0.168 4.638 4.470 -0.001 0.000 0.223 9 S C 0.915 175.496 174.600 -0.033 0.000 1.046 9 S CA 0.599 58.807 58.200 0.013 0.000 0.914 9 S CB 0.327 63.531 63.200 0.008 0.000 0.807 9 S HN 0.870 nan 8.310 nan 0.000 0.497 10 S N -0.367 115.241 115.700 -0.153 0.000 2.840 10 S HA 0.319 4.788 4.470 -0.001 0.000 0.307 10 S C 1.279 175.335 174.600 -0.906 0.000 1.180 10 S CA -0.125 57.859 58.200 -0.361 0.000 0.846 10 S CB 0.467 63.534 63.200 -0.222 0.000 1.233 10 S HN 0.597 nan 8.310 nan 0.000 0.548 11 c N 0.117 117.976 118.600 -1.235 0.000 2.446 11 c HA 0.224 4.794 4.570 -0.001 0.000 0.279 11 c C 2.583 176.253 174.090 -0.701 0.000 1.366 11 c CA 1.001 56.303 56.329 -1.712 0.000 1.763 11 c CB -1.632 39.999 42.510 -1.465 0.000 1.929 11 c HN 0.971 nan 8.230 nan 0.000 0.509 12 R N 1.282 121.529 120.500 -0.422 0.000 2.073 12 R HA -0.049 4.291 4.340 -0.001 0.000 0.229 12 R C 2.245 178.457 176.300 -0.147 0.000 1.120 12 R CA 1.624 57.595 56.100 -0.214 0.000 0.967 12 R CB -0.361 29.855 30.300 -0.140 0.000 0.862 12 R HN 0.646 nan 8.270 nan 0.000 0.436 13 E N -0.294 119.823 120.200 -0.138 0.000 2.409 13 E HA -0.175 4.175 4.350 -0.001 0.000 0.198 13 E C 1.841 178.453 176.600 0.019 0.000 1.024 13 E CA 0.689 57.077 56.400 -0.020 0.000 0.861 13 E CB -0.022 29.695 29.700 0.030 0.000 0.788 13 E HN 0.407 nan 8.360 nan 0.000 0.521 14 c N 0.457 119.033 118.600 -0.041 0.000 2.485 14 c HA 0.028 4.597 4.570 -0.001 0.000 0.278 14 c C 2.279 176.395 174.090 0.043 0.000 1.356 14 c CA -0.098 56.279 56.329 0.081 0.000 1.747 14 c CB -0.533 42.132 42.510 0.258 0.000 2.001 14 c HN 0.284 nan 8.230 nan 0.000 0.501 15 I N 1.346 121.903 120.570 -0.022 0.000 2.315 15 I HA -0.058 4.112 4.170 -0.001 0.000 0.248 15 I C 2.179 178.271 176.117 -0.042 0.000 1.117 15 I CA 1.431 62.716 61.300 -0.024 0.000 1.404 15 I CB -1.523 36.448 38.000 -0.049 0.000 1.071 15 I HN 0.485 nan 8.210 nan 0.000 0.419 16 E N 0.279 120.444 120.200 -0.059 0.000 2.485 16 E HA -0.007 4.343 4.350 -0.001 0.000 0.194 16 E C 1.707 178.219 176.600 -0.148 0.000 1.098 16 E CA 0.057 56.394 56.400 -0.106 0.000 0.878 16 E CB 0.100 29.727 29.700 -0.123 0.000 0.939 16 E HN 0.331 nan 8.360 nan 0.000 0.503 17 S N -0.298 115.352 115.700 -0.084 0.000 2.468 17 S HA 0.213 4.683 4.470 -0.001 0.000 0.226 17 S C 0.727 175.245 174.600 -0.136 0.000 1.051 17 S CA 0.440 58.581 58.200 -0.097 0.000 0.943 17 S CB 0.949 64.152 63.200 0.004 0.000 0.810 17 S HN 0.413 nan 8.310 nan 0.000 0.509 18 G N 0.488 109.235 108.800 -0.087 0.000 2.316 18 G HA2 0.342 4.301 3.960 -0.001 0.000 0.296 18 G HA3 0.342 4.301 3.960 -0.001 0.000 0.296 18 G C -2.930 171.946 174.900 -0.041 0.000 1.399 18 G CA -0.775 44.276 45.100 -0.081 0.000 0.833 18 G HN -0.164 nan 8.290 nan 0.000 0.565 19 P HA 0.034 nan 4.420 nan 0.000 0.215 19 P C 1.795 179.094 177.300 -0.003 0.000 1.157 19 P CA 1.853 64.944 63.100 -0.014 0.000 0.868 19 P CB 0.138 31.831 31.700 -0.012 0.000 0.788 20 G N -1.574 107.224 108.800 -0.004 0.000 3.279 20 G HA2 0.039 3.999 3.960 -0.001 0.000 0.230 20 G HA3 0.039 3.999 3.960 -0.001 0.000 0.230 20 G C -0.197 174.711 174.900 0.013 0.000 1.230 20 G CA -0.115 44.988 45.100 0.005 0.000 0.891 20 G HN 0.271 nan 8.290 nan 0.000 0.518 21 c N 1.498 120.109 118.600 0.018 0.000 2.273 21 c HA 0.707 5.277 4.570 -0.001 0.000 0.328 21 c C 0.767 174.893 174.090 0.060 0.000 1.275 21 c CA -0.682 55.671 56.329 0.040 0.000 1.704 21 c CB 0.103 42.637 42.510 0.039 0.000 2.326 21 c HN 0.516 nan 8.230 nan 0.000 0.517 22 T N 0.667 115.265 114.554 0.072 0.000 2.942 22 T HA 0.690 5.040 4.350 -0.001 0.000 0.289 22 T C -0.925 173.871 174.700 0.160 0.000 1.044 22 T CA -0.623 61.531 62.100 0.091 0.000 1.023 22 T CB 1.921 70.811 68.868 0.037 0.000 1.123 22 T HN 0.823 nan 8.240 nan 0.000 0.512 23 W N 0.826 122.092 121.300 -0.057 0.000 2.915 23 W HA 0.601 5.260 4.660 -0.001 0.000 0.337 23 W C -1.595 174.853 176.519 -0.119 0.000 1.102 23 W CA -1.420 55.879 57.345 -0.077 0.000 1.224 23 W CB 2.010 31.439 29.460 -0.052 0.000 1.416 23 W HN 0.964 nan 8.180 nan 0.000 0.503 24 c N 6.268 124.311 118.600 -0.928 0.000 2.351 24 c HA 0.286 4.856 4.570 -0.001 0.000 0.326 24 c C 1.222 174.886 174.090 -0.711 0.000 1.272 24 c CA -0.186 55.704 56.329 -0.731 0.000 1.650 24 c CB 0.818 42.771 42.510 -0.927 0.000 2.257 24 c HN 0.797 nan 8.230 nan 0.000 0.505 25 Q N 3.243 122.900 119.800 -0.239 0.000 2.396 25 Q HA 0.105 4.445 4.340 -0.001 0.000 0.209 25 Q C 0.589 176.549 176.000 -0.066 0.000 0.906 25 Q CA 0.024 55.816 55.803 -0.019 0.000 0.927 25 Q CB 0.068 28.868 28.738 0.104 0.000 1.069 25 Q HN 0.716 nan 8.270 nan 0.000 0.523 26 K N 1.985 122.303 120.400 -0.136 0.000 2.437 26 K HA 0.038 4.358 4.320 -0.001 0.000 0.277 26 K C -0.384 176.214 176.600 -0.003 0.000 1.073 26 K CA -0.130 56.122 56.287 -0.058 0.000 1.105 26 K CB 0.319 32.788 32.500 -0.053 0.000 0.881 26 K HN 0.187 nan 8.250 nan 0.000 0.475 27 L N 3.759 124.999 121.223 0.028 0.000 2.468 27 L HA -0.073 4.266 4.340 -0.001 0.000 0.253 27 L C 0.888 177.803 176.870 0.075 0.000 1.237 27 L CA -0.021 54.846 54.840 0.046 0.000 0.823 27 L CB 0.082 42.159 42.059 0.029 0.000 1.124 27 L HN 0.924 nan 8.230 nan 0.000 0.504 28 N N -0.449 118.284 118.700 0.056 0.000 2.681 28 N HA -0.309 4.430 4.740 -0.001 0.000 0.250 28 N C 0.282 175.827 175.510 0.058 0.000 1.133 28 N CA 1.251 54.324 53.050 0.039 0.000 0.732 28 N CB -1.438 37.062 38.487 0.022 0.000 1.107 28 N HN 0.560 nan 8.380 nan 0.000 0.559 29 F N 0.570 120.483 119.950 -0.062 0.000 2.569 29 F HA 0.125 4.652 4.527 -0.001 0.000 0.295 29 F C 0.778 176.533 175.800 -0.076 0.000 1.115 29 F CA 0.625 58.578 58.000 -0.077 0.000 1.450 29 F CB 0.429 39.361 39.000 -0.114 0.000 1.107 29 F HN -0.147 nan 8.300 nan 0.000 0.563 30 T N 1.723 116.298 114.554 0.035 0.000 2.779 30 T HA 0.395 4.745 4.350 -0.001 0.000 0.296 30 T C 0.729 175.377 174.700 -0.087 0.000 0.938 30 T CA 0.012 62.093 62.100 -0.032 0.000 1.119 30 T CB 0.632 69.507 68.868 0.012 0.000 0.891 30 T HN 0.331 nan 8.240 nan 0.000 0.526 31 G N 4.004 112.728 108.800 -0.125 0.000 2.712 31 G HA2 0.207 4.166 3.960 -0.001 0.000 0.258 31 G HA3 0.207 4.166 3.960 -0.001 0.000 0.258 31 G C -1.234 173.630 174.900 -0.061 0.000 1.241 31 G CA -1.241 43.796 45.100 -0.105 0.000 0.923 31 G HN 0.401 nan 8.290 nan 0.000 0.548 32 P HA -0.080 nan 4.420 nan 0.000 0.217 32 P C 1.007 178.293 177.300 -0.023 0.000 1.158 32 P CA 2.185 65.267 63.100 -0.030 0.000 0.887 32 P CB 0.141 31.825 31.700 -0.026 0.000 0.792 33 G N -1.294 107.491 108.800 -0.026 0.000 4.632 33 G HA2 0.169 4.129 3.960 -0.001 0.000 0.244 33 G HA3 0.169 4.129 3.960 -0.001 0.000 0.244 33 G C -1.176 173.707 174.900 -0.028 0.000 1.070 33 G CA -0.212 44.876 45.100 -0.021 0.000 0.791 33 G HN -0.040 nan 8.290 nan 0.000 0.544 34 D N 1.192 121.570 120.400 -0.037 0.000 2.217 34 D HA 0.479 5.119 4.640 -0.001 0.000 0.248 34 D C -2.225 174.052 176.300 -0.039 0.000 1.008 34 D CA -1.414 52.561 54.000 -0.042 0.000 0.914 34 D CB 2.099 42.864 40.800 -0.057 0.000 1.182 34 D HN 0.034 nan 8.370 nan 0.000 0.451 35 P HA 0.095 nan 4.420 nan 0.000 0.270 35 P C 0.249 177.544 177.300 -0.008 0.000 1.223 35 P CA -0.157 62.913 63.100 -0.050 0.000 0.785 35 P CB 0.751 32.401 31.700 -0.083 0.000 0.923 36 D N -0.342 120.065 120.400 0.012 0.000 2.323 36 D HA -0.080 4.560 4.640 -0.001 0.000 0.209 36 D C 1.534 177.873 176.300 0.065 0.000 0.973 36 D CA 0.975 55.004 54.000 0.048 0.000 0.874 36 D CB -0.213 40.638 40.800 0.085 0.000 0.930 36 D HN 0.365 nan 8.370 nan 0.000 0.521 37 S N 0.580 116.317 115.700 0.062 0.000 2.555 37 S HA -0.070 4.399 4.470 -0.001 0.000 0.230 37 S C 2.108 176.737 174.600 0.049 0.000 0.978 37 S CA -0.008 58.248 58.200 0.093 0.000 0.934 37 S CB -0.750 62.494 63.200 0.073 0.000 0.766 37 S HN 0.500 nan 8.310 nan 0.000 0.533 38 I N -0.894 119.689 120.570 0.022 0.000 2.676 38 I HA 0.050 4.219 4.170 -0.001 0.000 0.259 38 I C 2.223 178.335 176.117 -0.007 0.000 1.194 38 I CA 0.516 61.841 61.300 0.043 0.000 1.473 38 I CB -0.351 37.697 38.000 0.080 0.000 1.096 38 I HN 0.092 nan 8.210 nan 0.000 0.443 39 R N 0.572 120.951 120.500 -0.201 0.000 2.237 39 R HA -0.002 4.338 4.340 -0.001 0.000 0.219 39 R C 0.774 176.709 176.300 -0.607 0.000 1.080 39 R CA 0.720 56.435 56.100 -0.642 0.000 0.995 39 R CB -0.342 29.228 30.300 -1.216 0.000 0.875 39 R HN 0.448 nan 8.270 nan 0.000 0.462 40 c N 1.776 120.250 118.600 -0.210 0.000 2.184 40 c HA 0.304 4.874 4.570 -0.001 0.000 0.328 40 c C -0.454 173.661 174.090 0.041 0.000 1.081 40 c CA -0.820 55.541 56.329 0.054 0.000 1.533 40 c CB -0.880 41.818 42.510 0.312 0.000 1.905 40 c HN 0.287 nan 8.230 nan 0.000 0.439 41 D N 1.557 121.957 120.400 0.001 0.000 2.831 41 D HA 0.531 5.170 4.640 -0.001 0.000 0.240 41 D C -0.027 176.285 176.300 0.019 0.000 1.183 41 D CA 0.210 54.221 54.000 0.019 0.000 1.079 41 D CB 1.864 42.673 40.800 0.014 0.000 1.262 41 D HN 0.505 nan 8.370 nan 0.000 0.634 42 T N -1.750 112.814 114.554 0.017 0.000 2.922 42 T HA 0.333 4.683 4.350 -0.001 0.000 0.285 42 T C 1.191 175.893 174.700 0.004 0.000 1.005 42 T CA -0.523 61.585 62.100 0.014 0.000 1.061 42 T CB 1.728 70.606 68.868 0.016 0.000 1.007 42 T HN 0.433 nan 8.240 nan 0.000 0.502 43 R N 1.310 121.812 120.500 0.003 0.000 2.113 43 R HA -0.093 4.247 4.340 -0.001 0.000 0.244 43 R C -0.927 175.372 176.300 -0.002 0.000 1.142 43 R CA 1.803 57.900 56.100 -0.004 0.000 0.953 43 R CB -1.506 28.795 30.300 0.001 0.000 0.860 43 R HN 0.534 nan 8.270 nan 0.000 0.438 44 P HA -0.147 nan 4.420 nan 0.000 0.215 44 P C 0.950 178.258 177.300 0.014 0.000 1.157 44 P CA 1.185 64.290 63.100 0.009 0.000 0.868 44 P CB -0.085 31.622 31.700 0.011 0.000 0.788 45 Q N -0.595 119.215 119.800 0.016 0.000 2.124 45 Q HA -0.096 4.243 4.340 -0.001 0.000 0.202 45 Q C 2.310 178.332 176.000 0.037 0.000 0.977 45 Q CA 1.219 57.038 55.803 0.027 0.000 0.850 45 Q CB -1.053 27.703 28.738 0.029 0.000 0.901 45 Q HN 0.358 nan 8.270 nan 0.000 0.429 46 L N 0.067 121.299 121.223 0.015 0.000 2.046 46 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 46 L C 2.402 179.293 176.870 0.035 0.000 1.077 46 L CA 0.931 55.772 54.840 0.003 0.000 0.747 46 L CB -0.510 41.502 42.059 -0.079 0.000 0.896 46 L HN 0.188 nan 8.230 nan 0.000 0.432 47 L N -1.043 120.192 121.223 0.019 0.000 2.109 47 L HA -0.194 4.146 4.340 -0.001 0.000 0.207 47 L C 2.571 179.462 176.870 0.036 0.000 1.086 47 L CA 1.021 55.876 54.840 0.024 0.000 0.760 47 L CB -0.333 41.733 42.059 0.012 0.000 0.910 47 L HN 0.345 nan 8.230 nan 0.000 0.437 48 M N -0.391 119.230 119.600 0.035 0.000 2.374 48 M HA -0.144 4.336 4.480 -0.001 0.000 0.264 48 M C 2.164 178.487 176.300 0.039 0.000 1.067 48 M CA 1.521 56.840 55.300 0.030 0.000 1.103 48 M CB 0.038 32.653 32.600 0.024 0.000 1.402 48 M HN 0.104 nan 8.290 nan 0.000 0.444 49 R N -0.789 119.754 120.500 0.073 0.000 2.210 49 R HA 0.152 4.492 4.340 -0.001 0.000 0.203 49 R C 1.400 177.757 176.300 0.095 0.000 1.010 49 R CA 0.847 56.998 56.100 0.085 0.000 1.008 49 R CB 0.319 30.733 30.300 0.191 0.000 0.923 49 R HN 0.641 nan 8.270 nan 0.000 0.469 50 G N 0.295 109.175 108.800 0.134 0.000 2.480 50 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.193 50 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.193 50 G C 0.138 175.140 174.900 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 3.267 122.020 118.600 0.255 0.000 2.409 51 c HA 0.518 5.087 4.570 -0.001 0.000 0.398 51 c C 1.759 175.843 174.090 -0.010 0.000 1.507 51 c CA 0.285 56.636 56.329 0.037 0.000 1.460 51 c CB -1.455 40.904 42.510 -0.252 0.000 2.472 51 c HN 1.546 nan 8.230 nan 0.000 0.614 52 A N 5.339 128.151 122.820 -0.013 0.000 2.521 52 A HA 0.436 4.756 4.320 -0.001 0.000 0.237 52 A C 1.367 178.935 177.584 -0.027 0.000 1.087 52 A CA 0.605 52.635 52.037 -0.011 0.000 0.777 52 A CB -0.004 18.992 19.000 -0.007 0.000 1.035 52 A HN 1.776 nan 8.150 nan 0.000 0.510 53 A N 0.463 123.274 122.820 -0.014 0.000 1.897 53 A HA -0.038 4.281 4.320 -0.001 0.000 0.215 53 A C 1.422 178.998 177.584 -0.014 0.000 1.181 53 A CA 1.738 53.767 52.037 -0.014 0.000 0.620 53 A CB -0.603 18.394 19.000 -0.006 0.000 0.821 53 A HN 0.909 nan 8.150 nan 0.000 0.443 54 D N -0.586 119.808 120.400 -0.010 0.000 2.363 54 D HA -0.035 4.604 4.640 -0.001 0.000 0.226 54 D C 0.234 176.529 176.300 -0.008 0.000 1.020 54 D CA 0.633 54.629 54.000 -0.006 0.000 0.892 54 D CB -0.253 40.546 40.800 -0.002 0.000 0.900 54 D HN 0.284 nan 8.370 nan 0.000 0.531 55 D N -0.049 120.337 120.400 -0.024 0.000 2.369 55 D HA 0.161 4.800 4.640 -0.001 0.000 0.211 55 D C 0.275 176.548 176.300 -0.046 0.000 1.077 55 D CA -0.148 53.830 54.000 -0.037 0.000 0.842 55 D CB 0.623 41.381 40.800 -0.071 0.000 0.947 55 D HN 0.346 nan 8.370 nan 0.000 0.509 56 I N 2.239 122.789 120.570 -0.032 0.000 2.256 56 I HA 0.076 4.246 4.170 -0.001 0.000 0.294 56 I C 0.259 176.396 176.117 0.032 0.000 1.127 56 I CA -0.340 60.947 61.300 -0.021 0.000 1.247 56 I CB 0.361 38.344 38.000 -0.029 0.000 1.460 56 I HN -0.333 nan 8.210 nan 0.000 0.511 57 M N 5.092 124.747 119.600 0.091 0.000 2.356 57 M HA 0.027 4.507 4.480 -0.001 0.000 0.348 57 M C -0.069 176.283 176.300 0.086 0.000 1.595 57 M CA 0.710 56.072 55.300 0.104 0.000 1.095 57 M CB -0.358 32.341 32.600 0.165 0.000 1.963 57 M HN 0.356 nan 8.290 nan 0.000 0.459 58 D N 6.447 126.876 120.400 0.048 0.000 2.400 58 D HA 0.377 5.017 4.640 -0.001 0.000 0.272 58 D C -2.392 173.922 176.300 0.023 0.000 1.220 58 D CA -1.599 52.423 54.000 0.036 0.000 0.897 58 D CB 1.108 41.924 40.800 0.026 0.000 1.134 58 D HN 0.189 nan 8.370 nan 0.000 0.507 59 P HA 0.144 nan 4.420 nan 0.000 0.263 59 P C -0.580 176.731 177.300 0.018 0.000 1.276 59 P CA 0.145 63.254 63.100 0.015 0.000 0.986 59 P CB 0.468 32.173 31.700 0.009 0.000 1.105 60 T N 1.317 115.880 114.554 0.015 0.000 2.925 60 T HA 0.374 4.723 4.350 -0.001 0.000 0.285 60 T C 0.246 174.964 174.700 0.029 0.000 1.021 60 T CA -0.566 61.545 62.100 0.019 0.000 1.042 60 T CB 0.942 69.817 68.868 0.013 0.000 1.037 60 T HN 0.059 nan 8.240 nan 0.000 0.481 61 S N 2.030 117.755 115.700 0.041 0.000 2.545 61 S HA 0.639 5.109 4.470 -0.001 0.000 0.275 61 S C -0.154 174.483 174.600 0.060 0.000 1.299 61 S CA -0.779 57.460 58.200 0.065 0.000 1.048 61 S CB -0.040 63.202 63.200 0.071 0.000 0.938 61 S HN 0.586 nan 8.310 nan 0.000 0.496 62 L N -0.355 120.912 121.223 0.073 0.000 2.503 62 L HA 1.068 5.407 4.340 -0.001 0.000 0.248 62 L C -0.878 176.046 176.870 0.090 0.000 1.126 62 L CA -1.348 53.526 54.840 0.057 0.000 0.929 62 L CB 1.113 43.168 42.059 -0.007 0.000 1.544 62 L HN 0.562 nan 8.230 nan 0.000 0.404 63 A N -0.319 122.543 122.820 0.070 0.000 2.386 63 A HA 0.744 5.063 4.320 -0.001 0.000 0.311 63 A C -1.120 176.478 177.584 0.024 0.000 1.068 63 A CA -0.375 51.700 52.037 0.064 0.000 0.743 63 A CB 1.479 20.555 19.000 0.127 0.000 1.258 63 A HN 0.773 nan 8.150 nan 0.000 0.429 64 E N 1.641 121.848 120.200 0.012 0.000 2.114 64 E HA 0.393 4.743 4.350 -0.001 0.000 0.266 64 E C -0.581 176.003 176.600 -0.027 0.000 0.896 64 E CA -0.394 56.009 56.400 0.005 0.000 0.750 64 E CB 0.735 30.476 29.700 0.068 0.000 1.121 64 E HN 0.611 nan 8.360 nan 0.000 0.413 65 T N 2.095 116.641 114.554 -0.013 0.000 3.400 65 T HA 0.224 4.574 4.350 -0.001 0.000 0.364 65 T C 0.124 174.812 174.700 -0.020 0.000 1.636 65 T CA -0.717 61.376 62.100 -0.012 0.000 1.211 65 T CB 0.335 69.215 68.868 0.019 0.000 1.180 65 T HN 0.426 nan 8.240 nan 0.000 0.730 66 Q N 2.623 122.402 119.800 -0.035 0.000 2.513 66 Q HA 0.116 4.455 4.340 -0.001 0.000 0.227 66 Q C 0.048 176.018 176.000 -0.051 0.000 1.257 66 Q CA 0.056 55.833 55.803 -0.044 0.000 0.915 66 Q CB 0.364 29.073 28.738 -0.048 0.000 1.507 66 Q HN 0.690 nan 8.270 nan 0.000 0.543 67 E N 1.659 121.831 120.200 -0.047 0.000 2.383 67 E HA 0.024 4.373 4.350 -0.001 0.000 0.264 67 E C -0.516 176.027 176.600 -0.096 0.000 1.050 67 E CA -0.333 56.039 56.400 -0.047 0.000 0.896 67 E CB 0.738 30.422 29.700 -0.027 0.000 0.982 67 E HN 0.364 nan 8.360 nan 0.000 0.424 68 D N 0.580 120.929 120.400 -0.086 0.000 2.433 68 D HA 0.087 4.727 4.640 -0.001 0.000 0.255 68 D C 0.805 177.011 176.300 -0.156 0.000 1.226 68 D CA -0.118 53.793 54.000 -0.147 0.000 1.015 68 D CB 0.416 41.193 40.800 -0.038 0.000 1.091 68 D HN 0.423 nan 8.370 nan 0.000 0.527 69 H N -0.281 118.794 119.070 0.008 0.000 2.480 69 H HA 0.115 4.671 4.556 -0.001 0.000 0.305 69 H C 0.485 175.819 175.328 0.009 0.000 1.035 69 H CA 0.705 56.757 56.048 0.007 0.000 1.221 69 H CB 0.060 29.826 29.762 0.007 0.000 1.449 69 H HN 0.186 nan 8.280 nan 0.000 0.597 70 N N -2.222 116.588 118.700 0.183 0.000 3.049 70 N HA 0.257 4.997 4.740 -0.001 0.000 0.244 70 N C 0.138 175.696 175.510 0.081 0.000 1.203 70 N CA 0.586 53.693 53.050 0.095 0.000 0.945 70 N CB 1.499 40.027 38.487 0.068 0.000 1.616 70 N HN 0.634 nan 8.380 nan 0.000 0.505 71 G N 0.443 109.281 108.800 0.063 0.000 2.234 71 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.260 71 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.260 71 G C 1.064 176.000 174.900 0.061 0.000 0.987 71 G CA 1.118 46.252 45.100 0.058 0.000 0.625 71 G HN 1.054 nan 8.290 nan 0.000 0.532 72 G N -0.492 108.352 108.800 0.074 0.000 2.545 72 G HA2 0.200 4.159 3.960 -0.001 0.000 0.217 72 G HA3 0.200 4.159 3.960 -0.001 0.000 0.217 72 G C 0.725 175.656 174.900 0.053 0.000 1.218 72 G CA 1.726 46.867 45.100 0.069 0.000 0.787 72 G HN 0.672 nan 8.290 nan 0.000 0.571 73 Q N -1.992 117.839 119.800 0.051 0.000 2.501 73 Q HA 0.392 4.732 4.340 -0.001 0.000 0.288 73 Q C 0.235 176.266 176.000 0.051 0.000 1.051 73 Q CA -0.836 54.998 55.803 0.052 0.000 0.788 73 Q CB 2.215 30.986 28.738 0.055 0.000 1.469 73 Q HN 0.088 nan 8.270 nan 0.000 0.416 74 K N 0.269 120.701 120.400 0.053 0.000 2.102 74 K HA 0.088 4.408 4.320 -0.001 0.000 0.206 74 K C 0.738 177.338 176.600 -0.002 0.000 1.031 74 K CA 0.712 57.029 56.287 0.049 0.000 0.962 74 K CB 0.428 32.985 32.500 0.095 0.000 0.811 74 K HN 0.355 nan 8.250 nan 0.000 0.453 75 Q N 0.142 119.920 119.800 -0.036 0.000 2.084 75 Q HA 0.299 4.639 4.340 -0.001 0.000 0.230 75 Q C -0.625 175.366 176.000 -0.016 0.000 0.806 75 Q CA 0.068 55.758 55.803 -0.189 0.000 1.083 75 Q CB 1.281 29.687 28.738 -0.553 0.000 1.208 75 Q HN 0.185 nan 8.270 nan 0.000 0.462 76 L N 2.142 123.449 121.223 0.141 0.000 2.356 76 L HA 0.383 4.722 4.340 -0.001 0.000 0.264 76 L C -0.335 176.625 176.870 0.152 0.000 1.029 76 L CA -0.354 54.631 54.840 0.241 0.000 0.897 76 L CB 1.035 43.226 42.059 0.220 0.000 1.256 76 L HN 0.017 nan 8.230 nan 0.000 0.444 77 S N 2.499 118.288 115.700 0.148 0.000 2.568 77 S HA 0.766 5.236 4.470 -0.001 0.000 0.293 77 S C -2.781 171.903 174.600 0.141 0.000 1.089 77 S CA -1.606 56.660 58.200 0.110 0.000 0.945 77 S CB 2.205 65.448 63.200 0.070 0.000 1.077 77 S HN 0.142 nan 8.310 nan 0.000 0.485 78 P HA 0.285 nan 4.420 nan 0.000 0.274 78 P C -0.314 177.025 177.300 0.064 0.000 1.260 78 P CA -0.143 63.002 63.100 0.076 0.000 0.793 78 P CB 0.472 32.209 31.700 0.062 0.000 1.048 79 Q N -0.938 118.878 119.800 0.026 0.000 2.378 79 Q HA 0.154 4.494 4.340 -0.001 0.000 0.216 79 Q C -0.045 175.942 176.000 -0.022 0.000 0.892 79 Q CA 1.068 56.880 55.803 0.015 0.000 0.931 79 Q CB 0.278 29.022 28.738 0.010 0.000 1.086 79 Q HN 0.421 nan 8.270 nan 0.000 0.528 80 K N 0.279 120.652 120.400 -0.045 0.000 2.637 80 K HA 0.435 4.755 4.320 -0.001 0.000 0.248 80 K C -1.536 174.990 176.600 -0.123 0.000 0.971 80 K CA -0.360 55.873 56.287 -0.089 0.000 0.858 80 K CB 2.634 35.089 32.500 -0.075 0.000 1.170 80 K HN -0.243 nan 8.250 nan 0.000 0.443 81 V N 2.735 122.521 119.914 -0.214 0.000 2.294 81 V HA 0.166 4.285 4.120 -0.001 0.000 0.272 81 V C -0.104 175.794 176.094 -0.326 0.000 1.027 81 V CA -0.535 61.569 62.300 -0.327 0.000 0.823 81 V CB 1.194 32.617 31.823 -0.666 0.000 1.030 81 V HN 0.694 nan 8.190 nan 0.000 0.457 82 T N 7.079 121.523 114.554 -0.184 0.000 3.162 82 T HA 0.407 4.756 4.350 -0.001 0.000 0.316 82 T C -0.055 174.619 174.700 -0.044 0.000 1.182 82 T CA -0.302 61.719 62.100 -0.131 0.000 1.015 82 T CB -0.325 68.522 68.868 -0.036 0.000 1.089 82 T HN 0.497 nan 8.240 nan 0.000 0.646 83 L N 0.665 121.804 121.223 -0.139 0.000 2.395 83 L HA 0.600 4.940 4.340 -0.001 0.000 0.269 83 L C -0.824 176.067 176.870 0.035 0.000 1.133 83 L CA -0.758 54.081 54.840 -0.001 0.000 0.812 83 L CB -0.145 41.872 42.059 -0.070 0.000 1.125 83 L HN 0.249 nan 8.230 nan 0.000 0.452 84 Y N 3.774 124.054 120.300 -0.034 0.000 2.478 84 Y HA 0.574 5.124 4.550 -0.001 0.000 0.329 84 Y C -0.441 175.458 175.900 -0.001 0.000 0.967 84 Y CA -0.874 57.215 58.100 -0.018 0.000 1.255 84 Y CB 1.375 39.824 38.460 -0.019 0.000 1.103 84 Y HN 0.567 nan 8.280 nan 0.000 0.497 85 L N 5.028 126.303 121.223 0.088 0.000 2.265 85 L HA 0.527 4.866 4.340 -0.001 0.000 0.289 85 L C -0.115 176.782 176.870 0.045 0.000 1.033 85 L CA -0.808 54.072 54.840 0.068 0.000 0.814 85 L CB 0.790 42.880 42.059 0.052 0.000 1.203 85 L HN 0.590 nan 8.230 nan 0.000 0.423 86 R N 6.344 126.870 120.500 0.044 0.000 2.308 86 R HA 0.496 4.835 4.340 -0.001 0.000 0.305 86 R C -2.368 173.936 176.300 0.007 0.000 1.053 86 R CA -1.654 54.459 56.100 0.021 0.000 0.957 86 R CB 0.882 31.194 30.300 0.020 0.000 1.022 86 R HN 0.446 nan 8.270 nan 0.000 0.461 87 P HA 0.007 nan 4.420 nan 0.000 0.264 87 P C 0.300 177.586 177.300 -0.023 0.000 1.183 87 P CA 1.164 64.253 63.100 -0.019 0.000 0.763 87 P CB 0.832 32.510 31.700 -0.037 0.000 0.807 88 G N 1.728 110.517 108.800 -0.018 0.000 2.320 88 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.242 88 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.242 88 G C 0.208 175.103 174.900 -0.008 0.000 1.033 88 G CA -0.041 45.046 45.100 -0.021 0.000 0.620 88 G HN 0.635 nan 8.290 nan 0.000 0.517 89 Q N 0.822 120.623 119.800 0.001 0.000 2.271 89 Q HA 0.697 5.037 4.340 -0.001 0.000 0.258 89 Q C 0.117 176.130 176.000 0.022 0.000 0.936 89 Q CA -0.015 55.795 55.803 0.011 0.000 0.909 89 Q CB 1.359 30.105 28.738 0.015 0.000 1.253 89 Q HN 0.809 nan 8.270 nan 0.000 0.440 90 A N 2.354 125.188 122.820 0.023 0.000 2.331 90 A HA 0.700 5.019 4.320 -0.001 0.000 0.283 90 A C -0.703 176.912 177.584 0.052 0.000 1.142 90 A CA -0.231 51.823 52.037 0.029 0.000 0.812 90 A CB 0.817 19.825 19.000 0.013 0.000 1.074 90 A HN 0.745 nan 8.150 nan 0.000 0.497 91 A N 1.780 124.651 122.820 0.086 0.000 2.276 91 A HA 0.707 5.027 4.320 -0.001 0.000 0.316 91 A C 0.215 177.904 177.584 0.174 0.000 1.229 91 A CA 0.117 52.238 52.037 0.140 0.000 0.851 91 A CB 0.567 19.674 19.000 0.179 0.000 1.165 91 A HN 2.023 nan 8.150 nan 0.000 0.513 92 A N 2.416 125.328 122.820 0.153 0.000 2.318 92 A HA 0.811 5.131 4.320 -0.001 0.000 0.317 92 A C -0.697 177.003 177.584 0.194 0.000 1.159 92 A CA -0.516 51.566 52.037 0.076 0.000 0.799 92 A CB 0.165 19.179 19.000 0.022 0.000 1.194 92 A HN 1.541 nan 8.150 nan 0.000 0.479 93 F N 0.952 120.926 119.950 0.039 0.000 2.561 93 F HA 0.637 5.164 4.527 -0.001 0.000 0.313 93 F C -0.459 175.386 175.800 0.074 0.000 1.126 93 F CA -1.328 56.701 58.000 0.048 0.000 0.918 93 F CB 1.060 40.086 39.000 0.043 0.000 1.199 93 F HN 0.351 nan 8.300 nan 0.000 0.444 94 N N 1.238 120.025 118.700 0.144 0.000 2.445 94 N HA 0.587 5.326 4.740 -0.001 0.000 0.264 94 N C -1.101 174.519 175.510 0.183 0.000 1.227 94 N CA -0.576 52.538 53.050 0.106 0.000 0.963 94 N CB 1.836 40.374 38.487 0.085 0.000 1.188 94 N HN 0.545 nan 8.380 nan 0.000 0.491 95 V N 0.812 120.845 119.914 0.199 0.000 2.445 95 V HA 0.223 4.343 4.120 -0.001 0.000 0.283 95 V C -0.269 175.975 176.094 0.250 0.000 1.014 95 V CA -0.770 61.688 62.300 0.264 0.000 0.852 95 V CB 1.184 33.219 31.823 0.353 0.000 1.021 95 V HN 0.576 nan 8.190 nan 0.000 0.435 96 T N 5.532 120.199 114.554 0.188 0.000 2.814 96 T HA 0.478 4.828 4.350 -0.001 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 0.150 0.000 1.123 96 T CB 0.235 69.151 68.868 0.080 0.000 0.902 96 T HN 0.470 nan 8.240 nan 0.000 0.528 97 F N 3.980 123.965 119.950 0.058 0.000 2.659 97 F HA 0.455 4.982 4.527 -0.001 0.000 0.342 97 F C -0.115 175.698 175.800 0.022 0.000 1.168 97 F CA -0.985 57.050 58.000 0.058 0.000 1.003 97 F CB 0.989 40.067 39.000 0.130 0.000 1.267 97 F HN 0.410 nan 8.300 nan 0.000 0.463 98 R N 6.698 126.927 120.500 -0.451 0.000 2.477 98 R HA 0.367 4.707 4.340 -0.001 0.000 0.285 98 R C -0.121 175.887 176.300 -0.486 0.000 1.415 98 R CA -0.709 55.193 56.100 -0.330 0.000 1.446 98 R CB 0.481 30.684 30.300 -0.161 0.000 1.110 98 R HN 0.858 nan 8.270 nan 0.000 0.590 99 R N 1.619 121.758 120.500 -0.603 0.000 2.802 99 R HA -0.051 4.289 4.340 -0.001 0.000 0.264 99 R C 0.067 176.270 176.300 -0.160 0.000 0.996 99 R CA 1.287 57.165 56.100 -0.369 0.000 1.123 99 R CB 0.700 30.981 30.300 -0.031 0.000 0.996 99 R HN 0.700 nan 8.270 nan 0.000 0.444 100 A N 2.580 125.345 122.820 -0.092 0.000 1.997 100 A HA 0.243 4.562 4.320 -0.001 0.000 0.198 100 A C 0.227 177.743 177.584 -0.114 0.000 1.449 100 A CA 0.504 52.480 52.037 -0.101 0.000 0.908 100 A CB 0.434 19.374 19.000 -0.100 0.000 0.984 100 A HN 0.671 nan 8.150 nan 0.000 0.487 101 K N -3.078 117.235 120.400 -0.145 0.000 2.770 101 K HA 0.448 4.767 4.320 -0.001 0.000 0.289 101 K C -1.050 175.421 176.600 -0.214 0.000 1.051 101 K CA -0.169 55.990 56.287 -0.213 0.000 0.814 101 K CB 0.786 33.091 32.500 -0.326 0.000 1.512 101 K HN 0.321 nan 8.250 nan 0.000 0.368 102 G N 0.790 109.460 108.800 -0.216 0.000 2.335 102 G HA2 0.518 4.477 3.960 -0.001 0.000 0.316 102 G HA3 0.518 4.477 3.960 -0.001 0.000 0.316 102 G C -1.280 173.524 174.900 -0.160 0.000 1.129 102 G CA -0.163 44.868 45.100 -0.115 0.000 0.899 102 G HN 0.307 nan 8.290 nan 0.000 0.448 103 Y N 1.745 122.108 120.300 0.105 0.000 2.418 103 Y HA 0.369 4.918 4.550 -0.001 0.000 0.327 103 Y C -1.648 174.308 175.900 0.093 0.000 1.309 103 Y CA -2.085 56.072 58.100 0.095 0.000 1.423 103 Y CB 0.787 39.316 38.460 0.116 0.000 1.423 103 Y HN 0.322 nan 8.280 nan 0.000 0.532 104 P HA -0.015 nan 4.420 nan 0.000 0.258 104 P C -0.359 177.048 177.300 0.178 0.000 1.187 104 P CA 0.543 63.746 63.100 0.172 0.000 0.767 104 P CB 0.098 31.886 31.700 0.147 0.000 0.770 105 I N 2.775 123.441 120.570 0.160 0.000 2.886 105 I HA 0.247 4.417 4.170 -0.001 0.000 0.299 105 I C 0.114 176.315 176.117 0.141 0.000 1.044 105 I CA 0.160 61.566 61.300 0.176 0.000 1.310 105 I CB 0.892 39.007 38.000 0.193 0.000 1.441 105 I HN 0.200 nan 8.210 nan 0.000 0.578 106 D N 5.730 126.227 120.400 0.163 0.000 2.445 106 D HA 0.285 4.924 4.640 -0.001 0.000 0.236 106 D C -0.944 175.481 176.300 0.207 0.000 1.315 106 D CA -0.290 53.804 54.000 0.157 0.000 0.924 106 D CB 0.579 41.517 40.800 0.231 0.000 1.447 106 D HN 0.307 nan 8.370 nan 0.000 0.532 107 L N 1.708 123.012 121.223 0.134 0.000 2.456 107 L HA 0.477 4.817 4.340 -0.001 0.000 0.257 107 L C -0.574 176.447 176.870 0.252 0.000 1.162 107 L CA -0.691 54.257 54.840 0.180 0.000 0.808 107 L CB 0.901 43.029 42.059 0.116 0.000 1.136 107 L HN 0.331 nan 8.230 nan 0.000 0.466 108 Y N 0.542 120.954 120.300 0.188 0.000 2.348 108 Y HA 0.222 4.772 4.550 -0.001 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 0.229 0.000 1.070 108 Y CB 1.159 39.802 38.460 0.305 0.000 1.250 108 Y HN 0.336 nan 8.280 nan 0.000 0.425 109 Y N 7.288 127.554 120.300 -0.057 0.000 2.518 109 Y HA 0.445 4.995 4.550 -0.001 0.000 0.344 109 Y C -0.825 174.996 175.900 -0.132 0.000 0.982 109 Y CA -0.484 57.633 58.100 0.030 0.000 1.234 109 Y CB 0.424 39.013 38.460 0.215 0.000 1.114 109 Y HN 0.560 nan 8.280 nan 0.000 0.515 110 L N 8.026 129.228 121.223 -0.036 0.000 2.356 110 L HA 0.288 4.627 4.340 -0.001 0.000 0.282 110 L C -0.070 176.807 176.870 0.012 0.000 1.132 110 L CA 0.016 54.933 54.840 0.129 0.000 0.923 110 L CB 0.095 42.312 42.059 0.263 0.000 1.278 110 L HN 0.633 nan 8.230 nan 0.000 0.436 111 M N 2.778 122.300 119.600 -0.130 0.000 2.336 111 M HA 0.309 4.788 4.480 -0.001 0.000 0.342 111 M C -0.592 175.210 176.300 -0.830 0.000 1.128 111 M CA -0.585 54.568 55.300 -0.246 0.000 1.016 111 M CB 1.700 34.438 32.600 0.231 0.000 1.665 111 M HN 0.277 nan 8.290 nan 0.000 0.445 112 D N 4.895 124.704 120.400 -0.985 0.000 2.325 112 D HA 0.214 4.854 4.640 -0.001 0.000 0.251 112 D C -1.010 175.039 176.300 -0.418 0.000 1.196 112 D CA 0.048 53.388 54.000 -1.101 0.000 0.866 112 D CB 0.517 40.978 40.800 -0.565 0.000 1.101 112 D HN 0.650 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 -0.001 0.000 0.272 113 L C 0.065 176.925 176.870 -0.017 0.000 1.109 113 L CA -0.331 54.487 54.840 -0.036 0.000 0.952 113 L CB 0.095 42.282 42.059 0.214 0.000 1.314 113 L HN 0.318 nan 8.230 nan 0.000 0.427 114 S N -0.144 115.553 115.700 -0.005 0.000 2.798 114 S HA 0.260 4.730 4.470 -0.001 0.000 0.312 114 S C 0.343 175.000 174.600 0.094 0.000 1.122 114 S CA -0.477 57.758 58.200 0.057 0.000 0.949 114 S CB 1.281 64.517 63.200 0.061 0.000 1.235 114 S HN 0.451 nan 8.310 nan 0.000 0.552 115 Y N 1.708 122.026 120.300 0.030 0.000 2.544 115 Y HA -0.011 4.538 4.550 -0.000 0.000 0.286 115 Y C 2.323 178.241 175.900 0.030 0.000 1.141 115 Y CA 1.241 59.360 58.100 0.032 0.000 1.299 115 Y CB 0.027 38.507 38.460 0.032 0.000 1.030 115 Y HN 0.667 nan 8.280 nan 0.000 0.543 116 S N -1.270 114.517 115.700 0.146 0.000 2.528 116 S HA 0.027 4.497 4.470 -0.001 0.000 0.219 116 S C 1.027 175.645 174.600 0.031 0.000 0.985 116 S CA 0.195 58.452 58.200 0.095 0.000 0.914 116 S CB -0.078 63.186 63.200 0.106 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 -0.001 0.000 0.307 117 M C 0.375 176.643 176.300 -0.052 0.000 1.224 117 M CA -0.097 55.196 55.300 -0.012 0.000 0.984 117 M CB -0.382 32.211 32.600 -0.012 0.000 1.264 117 M HN 0.316 nan 8.290 nan 0.000 0.525 118 L N 0.630 121.790 121.223 -0.105 0.000 2.062 118 L HA -0.111 4.229 4.340 -0.001 0.000 0.202 118 L C 1.960 178.773 176.870 -0.095 0.000 1.079 118 L CA 1.162 55.907 54.840 -0.159 0.000 0.755 118 L CB -0.329 41.547 42.059 -0.306 0.000 0.913 118 L HN 0.378 nan 8.230 nan 0.000 0.445 119 D N -1.159 119.200 120.400 -0.070 0.000 2.378 119 D HA -0.179 4.461 4.640 -0.001 0.000 0.222 119 D C 1.178 177.467 176.300 -0.018 0.000 0.980 119 D CA 0.795 54.772 54.000 -0.039 0.000 0.907 119 D CB -0.360 40.427 40.800 -0.022 0.000 0.899 119 D HN 0.246 nan 8.370 nan 0.000 0.527 120 D N 0.121 120.515 120.400 -0.010 0.000 2.183 120 D HA 0.010 4.649 4.640 -0.001 0.000 0.205 120 D C 1.971 178.275 176.300 0.007 0.000 0.962 120 D CA 0.229 54.239 54.000 0.017 0.000 0.849 120 D CB -0.205 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 0.409 121.622 121.223 -0.018 0.000 2.217 121 L HA -0.040 4.300 4.340 -0.001 0.000 0.211 121 L C 2.310 179.142 176.870 -0.063 0.000 1.107 121 L CA 0.868 55.684 54.840 -0.040 0.000 0.783 121 L CB 0.146 42.175 42.059 -0.050 0.000 0.919 121 L HN -0.079 nan 8.230 nan 0.000 0.442 122 R N -0.067 120.400 120.500 -0.054 0.000 2.062 122 R HA -0.084 4.256 4.340 -0.001 0.000 0.226 122 R C 1.333 177.605 176.300 -0.047 0.000 1.125 122 R CA 1.636 57.703 56.100 -0.055 0.000 0.966 122 R CB -0.158 30.112 30.300 -0.050 0.000 0.861 122 R HN 0.403 nan 8.270 nan 0.000 0.433 123 N N -0.554 118.128 118.700 -0.031 0.000 2.421 123 N HA 0.017 4.757 4.740 -0.001 0.000 0.201 123 N C -0.042 175.452 175.510 -0.026 0.000 1.198 123 N CA -0.096 52.941 53.050 -0.021 0.000 0.838 123 N CB 1.034 39.519 38.487 -0.004 0.000 1.011 123 N HN 0.038 nan 8.380 nan 0.000 0.463 124 V N -0.371 119.514 119.914 -0.049 0.000 3.283 124 V HA -0.079 4.041 4.120 -0.001 0.000 0.265 124 V C 1.664 177.676 176.094 -0.137 0.000 1.672 124 V CA -0.108 62.145 62.300 -0.078 0.000 1.020 124 V CB 0.299 32.092 31.823 -0.050 0.000 0.854 124 V HN 0.237 nan 8.190 nan 0.000 0.408 125 K N 1.904 122.225 120.400 -0.132 0.000 2.242 125 K HA -0.176 4.143 4.320 -0.001 0.000 0.206 125 K C 0.650 177.132 176.600 -0.197 0.000 1.045 125 K CA 1.618 57.795 56.287 -0.183 0.000 0.930 125 K CB -0.100 32.310 32.500 -0.151 0.000 0.726 125 K HN 0.382 nan 8.250 nan 0.000 0.462 126 K N 0.515 120.831 120.400 -0.139 0.000 3.306 126 K HA 0.184 4.503 4.320 -0.001 0.000 0.169 126 K C -1.492 175.063 176.600 -0.075 0.000 1.110 126 K CA -0.295 55.925 56.287 -0.112 0.000 0.783 126 K CB 1.009 33.448 32.500 -0.101 0.000 0.958 126 K HN -0.031 nan 8.250 nan 0.000 0.581 127 L N 0.574 121.751 121.223 -0.076 0.000 2.679 127 L HA 0.426 4.765 4.340 -0.001 0.000 0.238 127 L C 0.494 177.339 176.870 -0.041 0.000 1.330 127 L CA 0.173 54.983 54.840 -0.050 0.000 0.935 127 L CB 0.700 42.733 42.059 -0.043 0.000 1.243 127 L HN 0.403 nan 8.230 nan 0.000 0.484 128 G N -0.520 108.264 108.800 -0.026 0.000 3.228 128 G HA2 0.154 4.114 3.960 -0.001 0.000 0.245 128 G HA3 0.154 4.114 3.960 -0.001 0.000 0.245 128 G C 0.997 175.882 174.900 -0.025 0.000 1.051 128 G CA 0.393 45.482 45.100 -0.019 0.000 0.809 128 G HN 0.597 nan 8.290 nan 0.000 0.531 129 G N 1.310 110.099 108.800 -0.019 0.000 2.551 129 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.216 129 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.216 129 G C 1.228 176.119 174.900 -0.015 0.000 1.137 129 G CA 1.152 46.241 45.100 -0.018 0.000 0.798 129 G HN 0.440 nan 8.290 nan 0.000 0.536 130 D N 0.105 120.498 120.400 -0.012 0.000 2.349 130 D HA 0.076 4.715 4.640 -0.001 0.000 0.214 130 D C 2.029 178.329 176.300 0.001 0.000 1.063 130 D CA -0.180 53.818 54.000 -0.004 0.000 0.847 130 D CB -0.146 40.654 40.800 0.000 0.000 0.933 130 D HN 0.348 nan 8.370 nan 0.000 0.513 131 L N -0.496 120.722 121.223 -0.008 0.000 2.145 131 L HA 0.031 4.371 4.340 -0.001 0.000 0.201 131 L C 2.028 178.894 176.870 -0.007 0.000 1.075 131 L CA 0.315 55.153 54.840 -0.003 0.000 0.773 131 L CB -0.231 41.813 42.059 -0.025 0.000 0.936 131 L HN -0.019 nan 8.230 nan 0.000 0.451 132 L N -0.123 121.084 121.223 -0.026 0.000 2.201 132 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 132 L C 2.617 179.481 176.870 -0.011 0.000 1.105 132 L CA 1.429 56.255 54.840 -0.024 0.000 0.775 132 L CB -0.708 41.329 42.059 -0.036 0.000 0.913 132 L HN 0.164 nan 8.230 nan 0.000 0.440 133 R N -0.289 120.206 120.500 -0.008 0.000 2.090 133 R HA -0.069 4.271 4.340 -0.001 0.000 0.228 133 R C 2.049 178.350 176.300 0.002 0.000 1.110 133 R CA 1.159 57.256 56.100 -0.004 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 0.447 123.273 122.820 0.011 0.000 2.169 134 A HA -0.016 4.304 4.320 -0.001 0.000 0.212 134 A C 1.698 179.296 177.584 0.025 0.000 1.153 134 A CA 0.395 52.446 52.037 0.023 0.000 0.756 134 A CB -0.048 18.978 19.000 0.043 0.000 0.813 134 A HN 0.368 nan 8.150 nan 0.000 0.471 135 L N -0.791 120.443 121.223 0.018 0.000 2.513 135 L HA 0.195 4.535 4.340 -0.001 0.000 0.222 135 L C 1.560 178.425 176.870 -0.009 0.000 1.096 135 L CA 1.315 56.165 54.840 0.017 0.000 0.857 135 L CB -0.505 41.567 42.059 0.023 0.000 1.026 135 L HN 0.319 nan 8.230 nan 0.000 0.469 136 N N 0.379 119.072 118.700 -0.012 0.000 2.120 136 N HA -0.209 4.531 4.740 -0.001 0.000 0.188 136 N C 1.543 177.035 175.510 -0.030 0.000 1.024 136 N CA 1.753 54.792 53.050 -0.018 0.000 0.852 136 N CB 0.147 38.625 38.487 -0.015 0.000 1.003 136 N HN 0.459 nan 8.380 nan 0.000 0.424 137 E N 0.257 120.436 120.200 -0.036 0.000 2.005 137 E HA -0.135 4.215 4.350 -0.001 0.000 0.198 137 E C 1.964 178.523 176.600 -0.069 0.000 1.010 137 E CA 1.470 57.842 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 0.382 120.888 120.570 -0.105 0.000 2.185 138 I HA -0.034 4.136 4.170 -0.001 0.000 0.235 138 I C 1.099 177.146 176.117 -0.116 0.000 1.069 138 I CA 0.946 62.158 61.300 -0.147 0.000 1.354 138 I CB -1.636 36.198 38.000 -0.277 0.000 1.093 138 I HN 0.039 nan 8.210 nan 0.000 0.411 139 T N 2.177 116.671 114.554 -0.101 0.000 2.874 139 T HA 0.283 4.633 4.350 -0.001 0.000 0.281 139 T C 0.658 175.345 174.700 -0.022 0.000 0.994 139 T CA -0.616 61.458 62.100 -0.043 0.000 1.015 139 T CB 1.822 70.696 68.868 0.010 0.000 1.028 139 T HN 0.362 nan 8.240 nan 0.000 0.523 140 E N 0.336 120.534 120.200 -0.004 0.000 3.361 140 E HA 0.284 4.634 4.350 -0.001 0.000 0.379 140 E C 0.059 176.664 176.600 0.009 0.000 0.442 140 E CA -0.755 55.644 56.400 -0.001 0.000 2.366 140 E CB -0.164 29.536 29.700 -0.000 0.000 2.164 140 E HN 0.496 nan 8.360 nan 0.000 0.446 141 S N 0.623 116.330 115.700 0.012 0.000 2.671 141 S HA 0.243 4.713 4.470 -0.001 0.000 0.331 141 S C 0.449 175.062 174.600 0.022 0.000 1.182 141 S CA -0.437 57.770 58.200 0.011 0.000 1.276 141 S CB -0.423 62.784 63.200 0.011 0.000 1.360 141 S HN 0.591 nan 8.310 nan 0.000 0.563 142 G N 2.658 111.469 108.800 0.018 0.000 2.574 142 G HA2 0.648 4.608 3.960 -0.001 0.000 0.248 142 G HA3 0.648 4.608 3.960 -0.001 0.000 0.248 142 G C -0.179 174.722 174.900 0.001 0.000 1.422 142 G CA -0.994 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 -1.566 118.929 120.500 -0.010 0.000 2.808 143 R HA 0.605 4.944 4.340 -0.001 0.000 0.272 143 R C -1.674 174.554 176.300 -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 32.035 30.300 -0.039 0.000 1.217 143 R HN 0.345 nan 8.270 nan 0.000 0.471 144 I N 0.038 120.472 120.570 -0.228 0.000 2.534 144 I HA 0.541 4.710 4.170 -0.001 0.000 0.288 144 I C 0.166 176.016 176.117 -0.446 0.000 1.077 144 I CA -0.267 60.765 61.300 -0.447 0.000 1.051 144 I CB 2.372 39.893 38.000 -0.798 0.000 1.234 144 I HN 0.706 nan 8.210 nan 0.000 0.425 145 G N 4.142 112.819 108.800 -0.206 0.000 2.642 145 G HA2 0.777 4.736 3.960 -0.001 0.000 0.293 145 G HA3 0.777 4.736 3.960 -0.001 0.000 0.293 145 G C -2.091 172.836 174.900 0.045 0.000 1.341 145 G CA -0.601 44.560 45.100 0.101 0.000 0.916 145 G HN 0.322 nan 8.290 nan 0.000 0.474 146 F N 0.066 119.801 119.950 -0.358 0.000 2.588 146 F HA 0.757 5.284 4.527 -0.001 0.000 0.310 146 F C -0.050 175.333 175.800 -0.695 0.000 1.082 146 F CA -0.524 57.153 58.000 -0.538 0.000 0.929 146 F CB 2.615 41.410 39.000 -0.341 0.000 1.254 146 F HN 0.804 nan 8.300 nan 0.000 0.455 147 G N 2.891 110.941 108.800 -1.249 0.000 2.668 147 G HA2 0.451 4.411 3.960 -0.001 0.000 0.284 147 G HA3 0.451 4.411 3.960 -0.001 0.000 0.284 147 G C -1.772 172.854 174.900 -0.457 0.000 1.456 147 G CA -0.609 44.279 45.100 -0.354 0.000 1.214 147 G HN 0.772 nan 8.290 nan 0.000 0.568 148 S N 0.870 116.431 115.700 -0.232 0.000 2.652 148 S HA 0.927 5.397 4.470 -0.001 0.000 0.270 148 S C -0.571 174.289 174.600 0.434 0.000 1.243 148 S CA -0.502 57.751 58.200 0.087 0.000 0.999 148 S CB 0.600 64.001 63.200 0.335 0.000 0.973 148 S HN 1.437 nan 8.310 nan 0.000 0.544 149 F N 0.327 120.425 119.950 0.247 0.000 2.725 149 F HA 0.636 5.163 4.527 -0.001 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 0.073 0.000 0.957 149 F CB 0.270 39.359 39.000 0.148 0.000 1.286 149 F HN 0.315 nan 8.300 nan 0.000 0.440 150 V N -0.420 119.374 119.914 -0.200 0.000 4.197 150 V HA 0.506 4.626 4.120 -0.001 0.000 0.176 150 V C -1.037 175.076 176.094 0.031 0.000 1.208 150 V CA 0.658 62.813 62.300 -0.240 0.000 1.306 150 V CB 0.665 32.129 31.823 -0.599 0.000 1.585 150 V HN 0.898 nan 8.190 nan 0.000 0.552 151 D N -1.006 119.352 120.400 -0.070 0.000 2.798 151 D HA 0.196 4.836 4.640 -0.001 0.000 0.265 151 D C -1.181 175.050 176.300 -0.116 0.000 1.223 151 D CA -0.596 53.400 54.000 -0.007 0.000 0.743 151 D CB 1.739 42.602 40.800 0.105 0.000 1.276 151 D HN 0.159 nan 8.370 nan 0.000 0.421 152 K N 0.251 120.506 120.400 -0.241 0.000 2.559 152 K HA 0.013 4.333 4.320 -0.001 0.000 0.279 152 K C 0.760 177.337 176.600 -0.039 0.000 0.967 152 K CA 0.687 56.820 56.287 -0.257 0.000 1.000 152 K CB 0.449 32.625 32.500 -0.540 0.000 0.890 152 K HN 0.395 nan 8.250 nan 0.000 0.501 153 T N 1.846 116.451 114.554 0.085 0.000 2.674 153 T HA -0.118 4.232 4.350 -0.001 0.000 0.265 153 T C 0.942 175.699 174.700 0.097 0.000 1.039 153 T CA 0.832 63.016 62.100 0.139 0.000 1.150 153 T CB -0.047 68.933 68.868 0.187 0.000 0.864 153 T HN 0.465 nan 8.240 nan 0.000 0.427 154 V N 3.310 123.279 119.914 0.092 0.000 3.003 154 V HA 0.392 4.512 4.120 -0.001 0.000 0.305 154 V C 0.255 176.458 176.094 0.182 0.000 1.078 154 V CA -1.147 61.216 62.300 0.105 0.000 1.083 154 V CB 0.307 32.190 31.823 0.100 0.000 1.039 154 V HN 0.389 nan 8.190 nan 0.000 0.481 155 L N 4.177 125.496 121.223 0.160 0.000 2.456 155 L HA 0.451 4.791 4.340 -0.001 0.000 0.246 155 L C -1.942 175.070 176.870 0.236 0.000 1.238 155 L CA -0.760 54.185 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 0.109 nan 4.420 nan 0.000 0.256 156 P C 0.498 177.713 177.300 -0.141 0.000 1.335 156 P CA 0.668 63.731 63.100 -0.061 0.000 0.808 156 P CB -0.207 31.394 31.700 -0.165 0.000 1.305 157 F N -0.923 119.003 119.950 -0.039 0.000 2.416 157 F HA 0.092 4.619 4.527 -0.000 0.000 0.296 157 F C 1.298 177.086 175.800 -0.020 0.000 1.099 157 F CA 0.666 58.629 58.000 -0.063 0.000 1.427 157 F CB 0.143 39.094 39.000 -0.083 0.000 1.079 157 F HN -0.186 nan 8.300 nan 0.000 0.536 158 V N 0.541 120.560 119.914 0.175 0.000 2.950 158 V HA 0.267 4.386 4.120 -0.001 0.000 0.295 158 V C -1.591 174.549 176.094 0.077 0.000 1.297 158 V CA -1.430 60.932 62.300 0.103 0.000 0.962 158 V CB 1.382 33.265 31.823 0.101 0.000 1.081 158 V HN 0.294 nan 8.190 nan 0.000 0.432 159 N N 3.419 122.150 118.700 0.053 0.000 2.365 159 N HA 0.010 4.750 4.740 -0.001 0.000 0.265 159 N C 0.965 176.491 175.510 0.026 0.000 1.288 159 N CA 0.752 53.829 53.050 0.044 0.000 0.869 159 N CB 0.975 39.487 38.487 0.041 0.000 1.071 159 N HN 0.892 nan 8.380 nan 0.000 0.480 160 T N -1.222 113.340 114.554 0.014 0.000 3.014 160 T HA -0.003 4.347 4.350 -0.001 0.000 0.263 160 T C 0.041 174.576 174.700 -0.275 0.000 1.078 160 T CA 0.809 62.855 62.100 -0.091 0.000 1.135 160 T CB -0.413 68.422 68.868 -0.056 0.000 0.895 160 T HN 0.689 nan 8.240 nan 0.000 0.480 161 H N 0.613 119.709 119.070 0.043 0.000 2.928 161 H HA 0.531 5.087 4.556 -0.001 0.000 0.371 161 H C -1.920 173.426 175.328 0.030 0.000 1.186 161 H CA -1.654 54.414 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 0.166 63.395 63.100 0.215 0.000 0.755 162 P CB 0.542 32.325 31.700 0.138 0.000 1.201 163 D N -0.511 119.943 120.400 0.090 0.000 2.340 163 D HA -0.059 4.581 4.640 -0.001 0.000 0.220 163 D C 1.527 177.857 176.300 0.049 0.000 1.039 163 D CA 0.349 54.388 54.000 0.065 0.000 0.866 163 D CB -0.336 40.497 40.800 0.054 0.000 0.913 163 D HN 0.252 nan 8.370 nan 0.000 0.523 164 K N 0.073 120.502 120.400 0.048 0.000 2.362 164 K HA -0.074 4.246 4.320 -0.001 0.000 0.200 164 K C 1.808 178.433 176.600 0.042 0.000 1.046 164 K CA 0.317 56.628 56.287 0.039 0.000 0.952 164 K CB -0.143 32.377 32.500 0.034 0.000 0.753 164 K HN 0.114 nan 8.250 nan 0.000 0.466 165 L N 1.307 122.555 121.223 0.041 0.000 2.056 165 L HA -0.070 4.270 4.340 -0.001 0.000 0.207 165 L C 1.912 178.809 176.870 0.045 0.000 1.078 165 L CA 1.577 56.438 54.840 0.034 0.000 0.749 165 L CB -0.221 41.836 42.059 -0.003 0.000 0.901 165 L HN 0.083 nan 8.230 nan 0.000 0.433 166 R N -0.580 119.947 120.500 0.044 0.000 2.237 166 R HA -0.020 4.319 4.340 -0.001 0.000 0.219 166 R C 0.254 176.583 176.300 0.047 0.000 1.080 166 R CA 0.867 56.993 56.100 0.044 0.000 0.995 166 R CB -0.245 30.079 30.300 0.040 0.000 0.875 166 R HN 0.310 nan 8.270 nan 0.000 0.462 167 N N -0.470 118.258 118.700 0.048 0.000 2.716 167 N HA 0.137 4.877 4.740 -0.001 0.000 0.245 167 N C -2.475 173.063 175.510 0.047 0.000 1.495 167 N CA -1.652 51.427 53.050 0.048 0.000 0.759 167 N CB 1.230 39.739 38.487 0.038 0.000 1.261 167 N HN -0.213 nan 8.380 nan 0.000 0.515 168 P HA 0.083 nan 4.420 nan 0.000 0.219 168 P C 0.168 177.492 177.300 0.041 0.000 1.150 168 P CA 0.349 63.481 63.100 0.054 0.000 0.814 168 P CB 0.152 31.900 31.700 0.080 0.000 0.787 169 c N 2.441 121.083 118.600 0.071 0.000 2.409 169 c HA 0.012 4.582 4.570 -0.001 0.000 0.398 169 c C -1.915 172.152 174.090 -0.040 0.000 1.507 169 c CA -0.454 55.925 56.329 0.083 0.000 1.460 169 c CB -1.145 41.455 42.510 0.151 0.000 2.472 169 c HN 0.230 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 0.457 31.860 31.700 -0.495 0.000 0.897 171 N N 3.531 122.171 118.700 -0.099 0.000 1.942 171 N HA -0.232 4.508 4.740 -0.001 0.000 0.211 171 N C 0.885 176.398 175.510 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 37.163 38.487 -0.058 0.000 0.738 171 N HN 0.280 nan 8.380 nan 0.000 0.356 172 K N 0.682 121.109 120.400 0.045 0.000 2.098 172 K HA 0.115 4.434 4.320 -0.001 0.000 0.203 172 K C -0.234 176.415 176.600 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 1.191 121.447 120.200 0.093 0.000 2.210 173 E HA -0.203 4.146 4.350 -0.001 0.000 0.201 173 E C -0.520 176.120 176.600 0.067 0.000 1.339 173 E CA 0.525 56.969 56.400 0.073 0.000 0.699 173 E CB -1.224 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 0.718 121.167 120.400 0.083 0.000 3.100 174 K HA 0.190 4.509 4.320 -0.001 0.000 0.256 174 K C 0.080 176.703 176.600 0.038 0.000 1.146 174 K CA -0.097 56.221 56.287 0.052 0.000 1.233 174 K CB 0.463 32.990 32.500 0.045 0.000 1.226 174 K HN 0.131 nan 8.250 nan 0.000 0.442 175 E N 0.221 120.445 120.200 0.040 0.000 2.340 175 E HA -0.214 4.136 4.350 -0.001 0.000 0.240 175 E C -0.430 176.189 176.600 0.032 0.000 1.154 175 E CA 0.558 56.975 56.400 0.029 0.000 0.717 175 E CB -2.271 27.437 29.700 0.012 0.000 1.250 175 E HN 0.743 nan 8.360 nan 0.000 0.386 176 c N 0.500 119.135 118.600 0.058 0.000 2.605 176 c HA 0.552 5.121 4.570 -0.001 0.000 0.404 176 c C 1.184 175.314 174.090 0.067 0.000 1.284 176 c CA -0.144 56.226 56.329 0.069 0.000 2.199 176 c CB 0.593 43.173 42.510 0.117 0.000 2.647 176 c HN 0.579 nan 8.230 nan 0.000 0.604 177 Q N 2.444 122.280 119.800 0.061 0.000 2.454 177 Q HA 0.424 4.763 4.340 -0.001 0.000 0.247 177 Q C -2.455 173.613 176.000 0.113 0.000 1.028 177 Q CA -0.975 54.853 55.803 0.042 0.000 0.910 177 Q CB -0.370 28.343 28.738 -0.042 0.000 1.276 177 Q HN 0.567 nan 8.270 nan 0.000 0.489 178 P HA 0.072 nan 4.420 nan 0.000 0.267 178 P C -2.442 175.021 177.300 0.271 0.000 1.200 178 P CA -0.888 62.294 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 0.022 nan 4.420 nan 0.000 0.261 179 P C -0.683 176.843 177.300 0.377 0.000 1.183 179 P CA 0.768 64.023 63.100 0.259 0.000 0.761 179 P CB -0.162 31.624 31.700 0.143 0.000 0.785 180 F N 1.382 121.442 119.950 0.184 0.000 3.043 180 F HA 0.900 5.426 4.527 -0.000 0.000 0.357 180 F C 0.601 176.540 175.800 0.230 0.000 1.302 180 F CA -0.822 57.375 58.000 0.328 0.000 1.069 180 F CB 0.357 39.543 39.000 0.310 0.000 1.539 180 F HN 0.188 nan 8.300 nan 0.000 0.505 181 A N -0.776 122.084 122.820 0.067 0.000 1.806 181 A HA 0.441 4.761 4.320 -0.001 0.000 0.193 181 A C -0.964 176.627 177.584 0.012 0.000 1.883 181 A CA 0.253 52.060 52.037 -0.384 0.000 1.434 181 A CB 0.204 18.631 19.000 -0.956 0.000 1.505 181 A HN 0.863 nan 8.150 nan 0.000 0.364 182 F N 0.598 120.596 119.950 0.080 0.000 2.839 182 F HA 0.633 5.160 4.527 -0.001 0.000 0.344 182 F C -0.887 175.208 175.800 0.492 0.000 1.242 182 F CA -0.451 57.736 58.000 0.312 0.000 1.091 182 F CB 1.262 40.327 39.000 0.109 0.000 1.374 182 F HN 0.069 nan 8.300 nan 0.000 0.553 183 R N 4.243 124.658 120.500 -0.142 0.000 2.412 183 R HA 0.242 4.581 4.340 -0.001 0.000 0.304 183 R C -1.267 174.802 176.300 -0.385 0.000 1.066 183 R CA -0.858 55.112 56.100 -0.216 0.000 0.923 183 R CB 0.424 30.613 30.300 -0.185 0.000 1.156 183 R HN 0.795 nan 8.270 nan 0.000 0.513 184 H N 4.078 122.824 119.070 -0.540 0.000 3.432 184 H HA 0.038 4.594 4.556 -0.001 0.000 0.252 184 H C 0.707 175.994 175.328 -0.068 0.000 1.397 184 H CA 0.114 56.011 56.048 -0.251 0.000 1.549 184 H CB 0.304 30.035 29.762 -0.051 0.000 1.699 184 H HN 0.408 nan 8.280 nan 0.000 0.523 185 V N 4.542 124.322 119.914 -0.223 0.000 2.323 185 V HA -0.088 4.032 4.120 -0.001 0.000 0.244 185 V C 0.971 176.906 176.094 -0.266 0.000 1.041 185 V CA 1.071 63.270 62.300 -0.169 0.000 1.025 185 V CB -0.218 31.570 31.823 -0.060 0.000 0.656 185 V HN 0.536 nan 8.190 nan 0.000 0.451 186 L N 0.157 121.158 121.223 -0.371 0.000 2.385 186 L HA 0.446 4.786 4.340 -0.001 0.000 0.273 186 L C -0.229 176.494 176.870 -0.245 0.000 0.990 186 L CA -0.280 54.402 54.840 -0.263 0.000 0.821 186 L CB 2.201 44.082 42.059 -0.296 0.000 1.279 186 L HN 0.036 nan 8.230 nan 0.000 0.412 187 K N 2.511 122.920 120.400 0.015 0.000 2.090 187 K HA 0.507 4.827 4.320 -0.001 0.000 0.250 187 K C -0.567 176.110 176.600 0.129 0.000 1.004 187 K CA -0.696 55.721 56.287 0.216 0.000 0.919 187 K CB 0.866 33.507 32.500 0.235 0.000 1.045 187 K HN 0.494 nan 8.250 nan 0.000 0.471 188 L N 3.510 124.761 121.223 0.048 0.000 2.597 188 L HA 0.078 4.417 4.340 -0.001 0.000 0.271 188 L C 0.276 177.138 176.870 -0.014 0.000 1.157 188 L CA 0.008 54.821 54.840 -0.044 0.000 0.928 188 L CB -0.374 41.581 42.059 -0.175 0.000 1.216 188 L HN 0.780 nan 8.230 nan 0.000 0.481 189 T N -1.657 112.888 114.554 -0.015 0.000 2.887 189 T HA 0.372 4.721 4.350 -0.001 0.000 0.292 189 T C 0.635 175.314 174.700 -0.035 0.000 1.087 189 T CA -0.965 61.135 62.100 -0.001 0.000 1.009 189 T CB 1.853 70.748 68.868 0.045 0.000 1.203 189 T HN 0.293 nan 8.240 nan 0.000 0.518 190 N N 1.339 120.029 118.700 -0.018 0.000 2.173 190 N HA -0.001 4.738 4.740 -0.001 0.000 0.184 190 N C 0.622 176.113 175.510 -0.032 0.000 1.025 190 N CA 0.797 53.832 53.050 -0.026 0.000 0.852 190 N CB -0.827 37.654 38.487 -0.010 0.000 0.998 190 N HN 0.840 nan 8.380 nan 0.000 0.427 191 N N 0.627 119.321 118.700 -0.010 0.000 2.305 191 N HA -0.052 4.688 4.740 -0.001 0.000 0.232 191 N C 0.784 176.289 175.510 -0.008 0.000 1.274 191 N CA 0.534 53.583 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 -0.736 114.964 115.700 -0.001 0.000 2.830 192 S HA -0.028 4.442 4.470 -0.001 0.000 0.249 192 S C 1.258 175.891 174.600 0.055 0.000 1.084 192 S CA 0.025 58.225 58.200 -0.000 0.000 0.852 192 S CB -0.491 62.689 63.200 -0.032 0.000 0.802 192 S HN 0.691 nan 8.310 nan 0.000 0.481 193 N N 2.257 120.972 118.700 0.025 0.000 2.216 193 N HA -0.137 4.603 4.740 -0.001 0.000 0.183 193 N C 1.725 177.241 175.510 0.010 0.000 1.017 193 N CA 1.647 54.704 53.050 0.011 0.000 0.861 193 N CB -0.782 37.701 38.487 -0.007 0.000 0.986 193 N HN 0.501 nan 8.380 nan 0.000 0.428 194 Q N 0.016 119.830 119.800 0.023 0.000 2.224 194 Q HA -0.006 4.334 4.340 -0.001 0.000 0.203 194 Q C 1.644 177.647 176.000 0.005 0.000 0.970 194 Q CA 0.910 56.716 55.803 0.004 0.000 0.865 194 Q CB -0.578 28.168 28.738 0.014 0.000 0.922 194 Q HN 0.435 nan 8.270 nan 0.000 0.445 195 F N 0.357 120.246 119.950 -0.102 0.000 2.163 195 F HA -0.077 4.450 4.527 -0.001 0.000 0.297 195 F C 1.966 177.658 175.800 -0.180 0.000 1.094 195 F CA 1.531 59.451 58.000 -0.133 0.000 1.290 195 F CB -0.030 38.901 39.000 -0.115 0.000 1.017 195 F HN 0.135 nan 8.300 nan 0.000 0.483 196 Q N -0.499 119.300 119.800 -0.002 0.000 2.050 196 Q HA -0.193 4.147 4.340 -0.001 0.000 0.202 196 Q C 2.224 178.093 176.000 -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 0.543 nan 8.270 nan 0.000 0.424 197 T N -0.941 113.515 114.554 -0.164 0.000 2.867 197 T HA -0.086 4.263 4.350 -0.001 0.000 0.268 197 T C 1.582 176.154 174.700 -0.215 0.000 1.057 197 T CA 0.831 62.834 62.100 -0.161 0.000 1.136 197 T CB -0.014 68.788 68.868 -0.109 0.000 0.874 197 T HN 0.075 nan 8.240 nan 0.000 0.466 198 E N 0.605 120.641 120.200 -0.274 0.000 2.418 198 E HA 0.065 4.415 4.350 -0.001 0.000 0.197 198 E C 2.108 178.456 176.600 -0.420 0.000 1.026 198 E CA 0.245 56.458 56.400 -0.312 0.000 0.862 198 E CB 0.046 29.553 29.700 -0.322 0.000 0.799 198 E HN 0.465 nan 8.360 nan 0.000 0.518 199 V N -0.060 119.545 119.914 -0.515 0.000 2.326 199 V HA -0.039 4.081 4.120 -0.001 0.000 0.238 199 V C 2.367 178.211 176.094 -0.417 0.000 1.038 199 V CA 1.609 63.525 62.300 -0.639 0.000 1.032 199 V CB -0.898 30.444 31.823 -0.803 0.000 0.675 199 V HN 0.278 nan 8.190 nan 0.000 0.467 200 G N 0.374 108.984 108.800 -0.316 0.000 2.550 200 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.222 200 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.222 200 G C 1.530 176.319 174.900 -0.185 0.000 1.113 200 G CA 1.612 46.581 45.100 -0.218 0.000 0.748 200 G HN 0.528 nan 8.290 nan 0.000 0.585 201 K N 0.369 120.650 120.400 -0.197 0.000 1.990 201 K HA -0.202 4.117 4.320 -0.001 0.000 0.225 201 K C 1.106 177.618 176.600 -0.146 0.000 1.053 201 K CA 1.301 57.491 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 0.998 120.696 119.800 -0.171 0.000 2.364 202 Q HA 0.168 4.508 4.340 -0.001 0.000 0.267 202 Q C -0.214 175.722 176.000 -0.107 0.000 0.999 202 Q CA -0.143 55.574 55.803 -0.144 0.000 0.886 202 Q CB 0.916 29.550 28.738 -0.173 0.000 1.243 202 Q HN 0.290 nan 8.270 nan 0.000 0.415 203 L N 2.033 123.215 121.223 -0.068 0.000 2.347 203 L HA 0.508 4.848 4.340 -0.001 0.000 0.268 203 L C 0.616 177.500 176.870 0.022 0.000 1.019 203 L CA -1.080 53.740 54.840 -0.033 0.000 0.806 203 L CB 0.730 42.775 42.059 -0.023 0.000 1.339 203 L HN 0.632 nan 8.230 nan 0.000 0.463 204 I N -2.524 118.068 120.570 0.038 0.000 3.363 204 I HA 0.243 4.412 4.170 -0.001 0.000 0.234 204 I C 0.563 176.789 176.117 0.181 0.000 1.263 204 I CA 0.110 61.471 61.300 0.102 0.000 0.921 204 I CB 0.584 38.608 38.000 0.040 0.000 1.614 204 I HN 0.577 nan 8.210 nan 0.000 0.879 205 S N -0.926 114.905 115.700 0.218 0.000 4.297 205 S HA 0.862 5.331 4.470 -0.001 0.000 0.226 205 S C -0.410 174.297 174.600 0.178 0.000 1.134 205 S CA -0.170 58.167 58.200 0.229 0.000 1.591 205 S CB 0.774 64.177 63.200 0.338 0.000 1.393 205 S HN 1.407 nan 8.310 nan 0.000 0.727 206 G N 1.216 110.091 108.800 0.125 0.000 2.340 206 G HA2 0.445 4.404 3.960 -0.001 0.000 0.298 206 G HA3 0.445 4.404 3.960 -0.001 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 1.122 nan 8.290 nan 0.000 0.594 207 N N -1.268 117.473 118.700 0.068 0.000 3.039 207 N HA 0.588 5.328 4.740 -0.001 0.000 0.257 207 N C 0.338 175.886 175.510 0.063 0.000 1.497 207 N CA -0.916 52.177 53.050 0.071 0.000 0.861 207 N CB 0.783 39.322 38.487 0.086 0.000 1.479 207 N HN 0.400 nan 8.380 nan 0.000 0.547 208 L N -0.708 120.553 121.223 0.063 0.000 2.129 208 L HA 0.144 4.483 4.340 -0.001 0.000 0.200 208 L C 0.118 177.008 176.870 0.033 0.000 1.159 208 L CA 0.478 55.340 54.840 0.036 0.000 0.795 208 L CB -0.667 41.404 42.059 0.020 0.000 0.951 208 L HN 0.767 nan 8.230 nan 0.000 0.463 209 D N 1.013 121.422 120.400 0.015 0.000 2.548 209 D HA -0.086 4.554 4.640 -0.001 0.000 0.231 209 D C 0.763 177.113 176.300 0.083 0.000 1.142 209 D CA 0.702 54.706 54.000 0.007 0.000 0.866 209 D CB 1.230 41.982 40.800 -0.079 0.000 1.190 209 D HN 0.289 nan 8.370 nan 0.000 0.469 210 A N 3.308 126.170 122.820 0.069 0.000 1.841 210 A HA 0.047 4.367 4.320 -0.001 0.000 0.214 210 A C -1.303 176.366 177.584 0.141 0.000 1.195 210 A CA 0.698 52.785 52.037 0.083 0.000 0.611 210 A CB -1.600 17.425 19.000 0.042 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 -0.113 177.427 177.300 0.399 0.000 1.223 211 P CA -0.003 63.209 63.100 0.187 0.000 0.785 211 P CB 0.403 32.033 31.700 -0.117 0.000 0.923 212 E N 0.187 120.650 120.200 0.438 0.000 2.292 212 E HA 0.382 4.732 4.350 -0.001 0.000 0.258 212 E C 0.864 177.828 176.600 0.606 0.000 1.115 212 E CA -0.552 56.140 56.400 0.486 0.000 0.929 212 E CB 0.512 30.520 29.700 0.514 0.000 1.161 212 E HN 0.528 nan 8.360 nan 0.000 0.453 213 G N -0.312 108.772 108.800 0.474 0.000 4.291 213 G HA2 0.235 4.194 3.960 -0.001 0.000 0.304 213 G HA3 0.235 4.194 3.960 -0.001 0.000 0.304 213 G C 0.937 176.051 174.900 0.357 0.000 1.264 213 G CA 0.111 45.512 45.100 0.503 0.000 1.039 213 G HN 0.477 nan 8.290 nan 0.000 0.578 214 G N 0.795 109.823 108.800 0.379 0.000 2.462 214 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.220 214 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.220 214 G C 1.637 176.534 174.900 -0.006 0.000 1.121 214 G CA 0.467 45.584 45.100 0.028 0.000 0.758 214 G HN 0.473 nan 8.290 nan 0.000 0.559 215 L N 0.316 121.639 121.223 0.166 0.000 2.042 215 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 215 L C 2.589 179.475 176.870 0.027 0.000 1.076 215 L CA 1.404 56.312 54.840 0.113 0.000 0.749 215 L CB -0.375 41.857 42.059 0.288 0.000 0.893 215 L HN 0.173 nan 8.230 nan 0.000 0.432 216 D N 0.296 120.695 120.400 -0.002 0.000 2.149 216 D HA -0.183 4.457 4.640 -0.001 0.000 0.198 216 D C 2.115 178.286 176.300 -0.215 0.000 0.990 216 D CA 1.456 55.387 54.000 -0.115 0.000 0.839 216 D CB 0.251 40.876 40.800 -0.292 0.000 0.948 216 D HN 0.271 nan 8.370 nan 0.000 0.460 217 A N 0.616 123.295 122.820 -0.235 0.000 1.933 217 A HA -0.169 4.151 4.320 -0.001 0.000 0.218 217 A C 2.243 179.574 177.584 -0.423 0.000 1.175 217 A CA 1.666 53.481 52.037 -0.370 0.000 0.628 217 A CB -0.452 18.470 19.000 -0.130 0.000 0.814 217 A HN 0.198 nan 8.150 nan 0.000 0.444 218 M N -0.842 118.610 119.600 -0.246 0.000 2.163 218 M HA -0.204 4.276 4.480 -0.001 0.000 0.258 218 M C 2.329 178.480 176.300 -0.248 0.000 1.071 218 M CA 1.664 56.843 55.300 -0.203 0.000 1.093 218 M CB -1.402 31.110 32.600 -0.146 0.000 1.285 218 M HN 0.345 nan 8.290 nan 0.000 0.420 219 M N 0.144 119.620 119.600 -0.207 0.000 2.082 219 M HA -0.230 4.250 4.480 -0.001 0.000 0.258 219 M C 2.187 178.314 176.300 -0.287 0.000 1.071 219 M CA 1.840 57.022 55.300 -0.196 0.000 1.103 219 M CB -1.551 30.989 32.600 -0.101 0.000 1.307 219 M HN 0.398 nan 8.290 nan 0.000 0.409 220 Q N -0.493 119.071 119.800 -0.393 0.000 2.217 220 Q HA -0.172 4.168 4.340 -0.001 0.000 0.209 220 Q C 2.159 177.883 176.000 -0.459 0.000 0.988 220 Q CA 1.529 57.046 55.803 -0.476 0.000 0.878 220 Q CB -0.411 27.940 28.738 -0.645 0.000 0.909 220 Q HN 0.353 nan 8.270 nan 0.000 0.424 221 V N 0.884 120.485 119.914 -0.521 0.000 2.216 221 V HA -0.211 3.909 4.120 -0.001 0.000 0.242 221 V C 1.377 177.378 176.094 -0.156 0.000 1.042 221 V CA 1.734 63.879 62.300 -0.258 0.000 0.991 221 V CB -0.659 31.021 31.823 -0.238 0.000 0.633 221 V HN 0.376 nan 8.190 nan 0.000 0.449 222 A N -0.988 121.676 122.820 -0.261 0.000 3.135 222 A HA 0.641 4.960 4.320 -0.001 0.000 0.253 222 A C 1.092 178.516 177.584 -0.267 0.000 1.638 222 A CA 0.726 52.553 52.037 -0.350 0.000 1.295 222 A CB -0.417 18.311 19.000 -0.452 0.000 1.106 222 A HN 0.558 nan 8.150 nan 0.000 0.648 223 A N -0.674 122.022 122.820 -0.208 0.000 1.964 223 A HA 0.333 4.653 4.320 -0.001 0.000 0.198 223 A C 0.965 178.455 177.584 -0.157 0.000 1.599 223 A CA 1.057 52.979 52.037 -0.191 0.000 0.968 223 A CB -0.054 18.811 19.000 -0.225 0.000 1.029 223 A HN 1.405 nan 8.150 nan 0.000 0.508 224 c N -2.586 115.939 118.600 -0.124 0.000 3.452 224 c HA 0.592 5.162 4.570 -0.001 0.000 0.251 224 c C -2.624 171.460 174.090 -0.010 0.000 1.160 224 c CA -1.644 54.636 56.329 -0.081 0.000 1.328 224 c CB 0.143 42.582 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 1.225 178.574 177.300 0.081 0.000 1.211 225 P CA 1.156 64.350 63.100 0.158 0.000 0.760 225 P CB -0.002 31.873 31.700 0.291 0.000 0.961 226 E N -0.090 120.130 120.200 0.033 0.000 2.478 226 E HA -0.118 4.232 4.350 -0.001 0.000 0.198 226 E C 0.934 177.545 176.600 0.018 0.000 1.046 226 E CA 0.768 57.182 56.400 0.023 0.000 0.870 226 E CB 0.013 29.719 29.700 0.010 0.000 0.818 226 E HN 0.501 nan 8.360 nan 0.000 0.527 227 E N -1.015 119.190 120.200 0.008 0.000 2.603 227 E HA 0.162 4.511 4.350 -0.001 0.000 0.224 227 E C 1.392 177.965 176.600 -0.045 0.000 0.896 227 E CA -0.022 56.375 56.400 -0.005 0.000 1.224 227 E CB 0.753 30.450 29.700 -0.006 0.000 1.206 227 E HN 0.107 nan 8.360 nan 0.000 0.576 228 I N 0.278 120.816 120.570 -0.054 0.000 3.883 228 I HA 0.225 4.395 4.170 -0.001 0.000 0.305 228 I C 0.822 176.902 176.117 -0.062 0.000 1.247 228 I CA 0.382 61.582 61.300 -0.166 0.000 1.350 228 I CB 0.839 38.741 38.000 -0.163 0.000 1.194 228 I HN 0.100 nan 8.210 nan 0.000 0.441 229 G N 1.115 109.939 108.800 0.040 0.000 2.850 229 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.686 229 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.686 229 G C -1.363 173.511 174.900 -0.044 0.000 1.164 229 G CA -0.718 44.407 45.100 0.042 0.000 0.826 229 G HN 0.225 nan 8.290 nan 0.000 0.586 230 W N 1.236 122.554 121.300 0.029 0.000 3.372 230 W HA 0.635 5.295 4.660 -0.001 0.000 0.315 230 W C 0.161 176.695 176.519 0.025 0.000 1.223 230 W CA -1.124 56.238 57.345 0.029 0.000 1.202 230 W CB 1.618 31.075 29.460 -0.005 0.000 1.367 230 W HN 0.832 nan 8.180 nan 0.000 0.531 231 R N 1.668 122.344 120.500 0.293 0.000 2.694 231 R HA 0.081 4.421 4.340 -0.001 0.000 0.268 231 R C 0.758 177.164 176.300 0.177 0.000 1.061 231 R CA 0.444 56.657 56.100 0.188 0.000 1.133 231 R CB 0.359 30.756 30.300 0.161 0.000 1.020 231 R HN 0.416 nan 8.270 nan 0.000 0.475 232 N N 1.616 120.382 118.700 0.110 0.000 2.313 232 N HA 0.074 4.813 4.740 -0.001 0.000 0.207 232 N C -0.296 175.243 175.510 0.048 0.000 1.141 232 N CA 0.093 53.186 53.050 0.071 0.000 0.830 232 N CB 0.384 38.901 38.487 0.051 0.000 1.008 232 N HN 0.365 nan 8.380 nan 0.000 0.481 233 V N -1.901 118.055 119.914 0.070 0.000 3.949 233 V HA 0.313 4.432 4.120 -0.001 0.000 0.195 233 V C 0.545 176.668 176.094 0.049 0.000 1.114 233 V CA 0.232 62.559 62.300 0.045 0.000 1.384 233 V CB 0.131 32.005 31.823 0.085 0.000 1.685 233 V HN 0.065 nan 8.190 nan 0.000 0.492 234 T N 1.728 116.347 114.554 0.108 0.000 2.925 234 T HA 0.678 5.027 4.350 -0.001 0.000 0.285 234 T C -0.617 174.178 174.700 0.158 0.000 1.021 234 T CA -0.401 61.763 62.100 0.106 0.000 1.042 234 T CB 1.250 70.213 68.868 0.158 0.000 1.037 234 T HN 0.311 nan 8.240 nan 0.000 0.481 235 R N 1.796 122.359 120.500 0.105 0.000 2.810 235 R HA 0.347 4.686 4.340 -0.001 0.000 0.280 235 R C -1.794 174.555 176.300 0.082 0.000 1.517 235 R CA -0.711 55.506 56.100 0.196 0.000 1.063 235 R CB 0.686 30.948 30.300 -0.063 0.000 1.275 235 R HN 0.260 nan 8.270 nan 0.000 0.464 236 L N 3.306 124.621 121.223 0.153 0.000 2.307 236 L HA 0.513 4.853 4.340 -0.001 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 43.386 42.059 0.000 0.000 1.231 236 L HN 0.347 nan 8.230 nan 0.000 0.423 237 L N 2.867 124.131 121.223 0.067 0.000 2.298 237 L HA 0.791 5.131 4.340 -0.001 0.000 0.268 237 L C -0.703 176.178 176.870 0.017 0.000 1.010 237 L CA -0.703 54.210 54.840 0.121 0.000 0.812 237 L CB 2.149 44.260 42.059 0.087 0.000 1.331 237 L HN 0.298 nan 8.230 nan 0.000 0.450 238 V N 1.015 120.946 119.914 0.028 0.000 2.655 238 V HA 0.452 4.571 4.120 -0.001 0.000 0.301 238 V C -1.506 174.546 176.094 -0.070 0.000 1.082 238 V CA -0.477 61.783 62.300 -0.066 0.000 0.899 238 V CB 1.407 33.182 31.823 -0.080 0.000 1.014 238 V HN 0.490 nan 8.190 nan 0.000 0.429 239 F N 5.992 125.810 119.950 -0.221 0.000 2.396 239 F HA 0.817 5.344 4.527 -0.001 0.000 0.343 239 F C 0.439 176.174 175.800 -0.109 0.000 1.104 239 F CA 0.375 58.289 58.000 -0.142 0.000 1.161 239 F CB 1.551 40.435 39.000 -0.194 0.000 1.146 239 F HN 0.778 nan 8.300 nan 0.000 0.522 240 A N 4.016 126.589 122.820 -0.412 0.000 2.414 240 A HA 0.643 4.963 4.320 -0.001 0.000 0.286 240 A C -0.801 176.651 177.584 -0.220 0.000 1.073 240 A CA -0.377 51.518 52.037 -0.237 0.000 0.727 240 A CB 1.376 20.209 19.000 -0.278 0.000 1.215 240 A HN 0.723 nan 8.150 nan 0.000 0.430 241 T N 1.164 115.706 114.554 -0.020 0.000 3.289 241 T HA 0.394 4.744 4.350 -0.001 0.000 0.370 241 T C -1.742 173.072 174.700 0.190 0.000 1.546 241 T CA -0.051 62.095 62.100 0.076 0.000 1.144 241 T CB 0.952 69.932 68.868 0.186 0.000 1.379 241 T HN 0.776 nan 8.240 nan 0.000 0.478 242 D N 2.752 123.243 120.400 0.151 0.000 2.889 242 D HA 0.381 5.020 4.640 -0.001 0.000 0.243 242 D C -0.116 176.292 176.300 0.181 0.000 1.270 242 D CA -0.189 53.908 54.000 0.161 0.000 0.838 242 D CB 0.147 41.014 40.800 0.112 0.000 1.040 242 D HN 0.414 nan 8.370 nan 0.000 0.480 243 D N -1.333 119.220 120.400 0.255 0.000 2.643 243 D HA 0.411 5.051 4.640 -0.001 0.000 0.283 243 D C 0.638 177.150 176.300 0.354 0.000 1.242 243 D CA -0.828 53.325 54.000 0.255 0.000 0.863 243 D CB 1.250 42.194 40.800 0.241 0.000 1.382 243 D HN 0.141 nan 8.370 nan 0.000 0.444 244 G N -0.551 108.420 108.800 0.285 0.000 2.481 244 G HA2 0.500 4.459 3.960 -0.001 0.000 0.251 244 G HA3 0.500 4.459 3.960 -0.001 0.000 0.251 244 G C -0.722 174.512 174.900 0.556 0.000 1.492 244 G CA -0.058 45.233 45.100 0.318 0.000 1.060 244 G HN 0.430 nan 8.290 nan 0.000 0.553 245 F N -2.803 117.192 119.950 0.076 0.000 2.670 245 F HA 0.504 5.031 4.527 -0.000 0.000 0.332 245 F C -1.272 174.506 175.800 -0.035 0.000 1.179 245 F CA -1.570 56.530 58.000 0.166 0.000 1.076 245 F CB 0.138 39.270 39.000 0.219 0.000 1.322 245 F HN 0.414 nan 8.300 nan 0.000 0.515 246 H N 3.780 122.826 119.070 -0.038 0.000 2.527 246 H HA 0.657 5.213 4.556 -0.001 0.000 0.321 246 H C -0.432 174.725 175.328 -0.285 0.000 1.087 246 H CA -0.105 55.667 56.048 -0.460 0.000 1.337 246 H CB 1.033 30.471 29.762 -0.540 0.000 1.440 246 H HN 0.585 nan 8.280 nan 0.000 0.490 247 F N 0.173 120.057 119.950 -0.110 0.000 2.671 247 F HA 0.778 5.305 4.527 -0.001 0.000 0.373 247 F C 0.477 176.280 175.800 0.005 0.000 1.122 247 F CA -1.850 56.166 58.000 0.028 0.000 1.082 247 F CB 0.061 39.069 39.000 0.015 0.000 1.399 247 F HN 0.518 nan 8.300 nan 0.000 0.509 248 A N 0.030 123.061 122.820 0.351 0.000 2.577 248 A HA 0.394 4.714 4.320 -0.001 0.000 0.233 248 A C 1.438 179.116 177.584 0.157 0.000 1.076 248 A CA 1.004 53.167 52.037 0.209 0.000 0.767 248 A CB -1.207 17.874 19.000 0.135 0.000 1.017 248 A HN 2.171 nan 8.150 nan 0.000 0.511 249 G N 0.578 109.429 108.800 0.085 0.000 2.358 249 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.224 249 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.224 249 G C 0.611 175.520 174.900 0.015 0.000 1.073 249 G CA 0.868 45.999 45.100 0.051 0.000 0.635 249 G HN 0.693 nan 8.290 nan 0.000 0.509 250 D N 1.205 121.580 120.400 -0.042 0.000 2.310 250 D HA 0.138 4.777 4.640 -0.001 0.000 0.212 250 D C 2.362 178.730 176.300 0.114 0.000 0.965 250 D CA 1.443 55.413 54.000 -0.051 0.000 0.879 250 D CB -0.802 39.897 40.800 -0.169 0.000 0.921 250 D HN 0.592 nan 8.370 nan 0.000 0.510 251 G N 0.738 109.636 108.800 0.164 0.000 2.443 251 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.219 251 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.219 251 G C 1.495 176.481 174.900 0.144 0.000 1.131 251 G CA 0.462 45.701 45.100 0.232 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 -0.001 0.000 0.203 252 K C 2.291 178.923 176.600 0.054 0.000 1.046 252 K CA 0.559 56.878 56.287 0.052 0.000 0.938 252 K CB -0.203 32.313 32.500 0.026 0.000 0.737 252 K HN 0.357 nan 8.250 nan 0.000 0.458 253 L N -0.543 120.718 121.223 0.063 0.000 2.093 253 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 253 L C 2.082 179.001 176.870 0.082 0.000 1.085 253 L CA 1.239 56.101 54.840 0.037 0.000 0.755 253 L CB -0.314 41.724 42.059 -0.034 0.000 0.904 253 L HN 0.272 nan 8.230 nan 0.000 0.435 254 G N -1.239 107.659 108.800 0.163 0.000 3.379 254 G HA2 0.320 4.280 3.960 -0.001 0.000 0.253 254 G HA3 0.320 4.280 3.960 -0.001 0.000 0.253 254 G C 0.948 175.913 174.900 0.108 0.000 1.262 254 G CA 0.303 45.502 45.100 0.165 0.000 0.959 254 G HN 0.410 nan 8.290 nan 0.000 0.524 255 A N -0.279 122.588 122.820 0.079 0.000 2.822 255 A HA -0.197 4.123 4.320 -0.001 0.000 0.287 255 A C 0.502 178.120 177.584 0.056 0.000 1.479 255 A CA 1.193 53.264 52.037 0.057 0.000 0.779 255 A CB -2.483 16.549 19.000 0.053 0.000 1.022 255 A HN 1.398 nan 8.150 nan 0.000 0.532 256 I N -4.063 116.543 120.570 0.060 0.000 2.439 256 I HA 0.683 4.853 4.170 -0.001 0.000 0.283 256 I C 0.051 176.183 176.117 0.025 0.000 1.023 256 I CA -1.076 60.251 61.300 0.045 0.000 1.100 256 I CB 1.493 39.524 38.000 0.052 0.000 1.238 256 I HN -0.084 nan 8.210 nan 0.000 0.445 257 L N 5.113 126.344 121.223 0.013 0.000 3.110 257 L HA 0.241 4.581 4.340 -0.001 0.000 0.266 257 L C 0.710 177.571 176.870 -0.015 0.000 1.257 257 L CA 0.183 55.023 54.840 0.000 0.000 1.038 257 L CB 0.397 42.460 42.059 0.006 0.000 1.395 257 L HN 0.752 nan 8.230 nan 0.000 0.566 258 T N -1.417 113.122 114.554 -0.024 0.000 2.738 258 T HA 0.506 4.856 4.350 -0.001 0.000 0.298 258 T C -2.396 172.238 174.700 -0.109 0.000 0.962 258 T CA -1.847 60.234 62.100 -0.031 0.000 0.972 258 T CB 0.887 69.761 68.868 0.011 0.000 0.928 258 T HN -0.130 nan 8.240 nan 0.000 0.474 259 P HA 0.102 nan 4.420 nan 0.000 0.275 259 P C -0.119 177.041 177.300 -0.233 0.000 1.270 259 P CA -0.639 62.368 63.100 -0.156 0.000 0.791 259 P CB 0.572 32.231 31.700 -0.069 0.000 1.089 260 N N 1.228 119.779 118.700 -0.248 0.000 2.442 260 N HA -0.037 4.703 4.740 -0.001 0.000 0.265 260 N C 0.814 176.422 175.510 0.163 0.000 1.138 260 N CA 0.066 53.061 53.050 -0.090 0.000 0.956 260 N CB 0.278 38.756 38.487 -0.015 0.000 1.067 260 N HN 0.348 nan 8.380 nan 0.000 0.474 261 D N 3.194 123.804 120.400 0.351 0.000 2.137 261 D HA 0.013 4.653 4.640 -0.001 0.000 0.202 261 D C 1.125 177.515 176.300 0.150 0.000 0.970 261 D CA 1.406 55.532 54.000 0.209 0.000 0.837 261 D CB -0.117 40.818 40.800 0.225 0.000 0.981 261 D HN 0.724 nan 8.370 nan 0.000 0.475 262 G N 0.148 109.041 108.800 0.154 0.000 2.336 262 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.194 262 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.194 262 G C 0.282 175.157 174.900 -0.042 0.000 0.999 262 G CA -0.226 44.907 45.100 0.055 0.000 0.669 262 G HN 0.395 nan 8.290 nan 0.000 0.482 263 R N 0.596 121.058 120.500 -0.063 0.000 2.460 263 R HA 0.585 4.924 4.340 -0.001 0.000 0.303 263 R C 0.661 176.668 176.300 -0.489 0.000 0.968 263 R CA -0.050 55.909 56.100 -0.236 0.000 0.889 263 R CB 1.560 31.744 30.300 -0.194 0.000 1.123 263 R HN 0.570 nan 8.270 nan 0.000 0.455 264 c N 1.596 119.893 118.600 -0.506 0.000 2.463 264 c HA 0.459 5.029 4.570 -0.001 0.000 0.380 264 c C -0.021 173.688 174.090 -0.635 0.000 1.264 264 c CA -0.740 55.308 56.329 -0.468 0.000 2.161 264 c CB 0.213 42.556 42.510 -0.278 0.000 2.515 264 c HN 0.767 nan 8.230 nan 0.000 0.565 265 H N 4.265 123.288 119.070 -0.079 0.000 2.569 265 H HA 0.417 4.973 4.556 -0.001 0.000 0.247 265 H C -0.541 174.783 175.328 -0.007 0.000 1.346 265 H CA -0.160 55.865 56.048 -0.038 0.000 1.502 265 H CB 0.696 30.430 29.762 -0.046 0.000 1.512 265 H HN 0.778 nan 8.280 nan 0.000 0.502 266 L N -1.212 120.061 121.223 0.083 0.000 2.334 266 L HA 0.534 4.874 4.340 -0.001 0.000 0.270 266 L C 1.050 177.960 176.870 0.066 0.000 1.018 266 L CA -0.397 54.498 54.840 0.090 0.000 0.811 266 L CB 1.676 43.812 42.059 0.129 0.000 1.271 266 L HN 0.162 nan 8.230 nan 0.000 0.443 267 E N 0.372 120.602 120.200 0.050 0.000 2.508 267 E HA 0.036 4.386 4.350 -0.001 0.000 0.217 267 E C -0.695 175.923 176.600 0.029 0.000 0.896 267 E CA 0.551 56.972 56.400 0.034 0.000 1.118 267 E CB 0.633 30.346 29.700 0.021 0.000 1.133 267 E HN 0.964 nan 8.360 nan 0.000 0.526 268 D N 0.059 120.479 120.400 0.033 0.000 2.997 268 D HA 0.112 4.752 4.640 -0.001 0.000 0.362 268 D C -0.301 176.025 176.300 0.045 0.000 1.298 268 D CA -0.582 53.434 54.000 0.027 0.000 0.756 268 D CB -0.816 39.987 40.800 0.005 0.000 1.216 268 D HN -0.169 nan 8.370 nan 0.000 0.496 269 N N 0.294 119.038 118.700 0.073 0.000 2.678 269 N HA -0.222 4.518 4.740 -0.001 0.000 0.249 269 N C -0.604 174.971 175.510 0.108 0.000 1.119 269 N CA 0.740 53.857 53.050 0.112 0.000 0.718 269 N CB -0.914 37.653 38.487 0.132 0.000 1.060 269 N HN 0.697 nan 8.380 nan 0.000 0.552 270 L N 0.215 121.512 121.223 0.123 0.000 2.543 270 L HA 0.336 4.676 4.340 -0.001 0.000 0.265 270 L C -0.234 176.742 176.870 0.175 0.000 0.945 270 L CA -1.179 53.757 54.840 0.159 0.000 0.869 270 L CB 1.060 43.148 42.059 0.047 0.000 1.294 270 L HN 0.158 nan 8.230 nan 0.000 0.405 271 Y N 3.319 123.748 120.300 0.215 0.000 2.712 271 Y HA 0.243 4.792 4.550 -0.001 0.000 0.333 271 Y C -0.159 175.799 175.900 0.097 0.000 1.225 271 Y CA 0.028 58.222 58.100 0.157 0.000 1.499 271 Y CB 0.455 39.022 38.460 0.179 0.000 1.288 271 Y HN 0.549 nan 8.280 nan 0.000 0.575 272 K N 4.139 124.481 120.400 -0.097 0.000 2.895 272 K HA 0.240 4.560 4.320 -0.001 0.000 0.200 272 K C 0.209 176.806 176.600 -0.004 0.000 1.133 272 K CA -0.272 55.914 56.287 -0.168 0.000 1.060 272 K CB 0.573 32.991 32.500 -0.137 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 4.381 4.340 -0.001 0.000 0.212 273 R C 1.919 178.280 176.300 0.102 0.000 0.878 273 R CA 0.650 56.785 56.100 0.058 0.000 1.022 273 R CB 0.088 30.381 30.300 -0.012 0.000 1.265 273 R HN 0.166 nan 8.270 nan 0.000 0.620 274 S N 1.490 117.296 115.700 0.176 0.000 2.462 274 S HA -0.126 4.344 4.470 -0.001 0.000 0.243 274 S C 1.307 176.018 174.600 0.186 0.000 1.003 274 S CA 1.281 59.581 58.200 0.167 0.000 0.970 274 S CB -0.170 63.063 63.200 0.055 0.000 0.762 274 S HN 0.168 nan 8.310 nan 0.000 0.510 275 N N 1.914 120.722 118.700 0.181 0.000 2.207 275 N HA 0.031 4.771 4.740 -0.001 0.000 0.182 275 N C 0.410 175.993 175.510 0.122 0.000 1.020 275 N CA 1.093 54.219 53.050 0.127 0.000 0.858 275 N CB -0.373 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 -0.090 120.193 120.200 0.138 0.000 2.354 276 E HA 0.255 4.604 4.350 -0.001 0.000 0.252 276 E C -1.002 175.729 176.600 0.218 0.000 1.330 276 E CA -0.224 56.255 56.400 0.132 0.000 1.658 276 E CB -0.400 29.356 29.700 0.094 0.000 1.460 276 E HN 0.216 nan 8.360 nan 0.000 0.435 277 F N -0.168 119.783 119.950 0.001 0.000 2.704 277 F HA 0.298 4.824 4.527 -0.001 0.000 0.312 277 F C -1.768 174.008 175.800 -0.040 0.000 1.108 277 F CA -1.204 56.789 58.000 -0.012 0.000 1.005 277 F CB 1.389 40.382 39.000 -0.013 0.000 1.277 277 F HN -0.143 nan 8.300 nan 0.000 0.445 278 D N 2.570 122.446 120.400 -0.872 0.000 2.340 278 D HA 0.297 4.937 4.640 -0.001 0.000 0.251 278 D C -0.978 174.853 176.300 -0.781 0.000 1.080 278 D CA 0.085 53.749 54.000 -0.559 0.000 0.971 278 D CB 0.846 41.471 40.800 -0.292 0.000 1.137 278 D HN 0.464 nan 8.370 nan 0.000 0.475 279 Y N 0.753 120.866 120.300 -0.312 0.000 2.597 279 Y HA 0.178 4.727 4.550 -0.000 0.000 0.336 279 Y C -1.461 174.375 175.900 -0.107 0.000 1.216 279 Y CA -1.269 56.754 58.100 -0.128 0.000 1.463 279 Y CB 0.328 38.785 38.460 -0.005 0.000 1.303 279 Y HN 0.261 nan 8.280 nan 0.000 0.576 280 P HA -0.013 nan 4.420 nan 0.000 0.267 280 P C -0.591 176.800 177.300 0.152 0.000 1.209 280 P CA -0.214 62.959 63.100 0.122 0.000 0.763 280 P CB 0.521 32.299 31.700 0.130 0.000 0.816 281 S N 2.253 118.008 115.700 0.091 0.000 2.569 281 S HA -0.028 4.442 4.470 -0.001 0.000 0.274 281 S C 1.421 176.059 174.600 0.063 0.000 1.353 281 S CA -0.313 57.935 58.200 0.081 0.000 1.023 281 S CB 0.327 63.539 63.200 0.020 0.000 0.876 281 S HN 0.311 nan 8.310 nan 0.000 0.540 282 V N 2.641 122.556 119.914 0.002 0.000 2.332 282 V HA -0.012 4.108 4.120 -0.001 0.000 0.248 282 V C 2.100 178.172 176.094 -0.037 0.000 1.055 282 V CA 2.623 64.895 62.300 -0.046 0.000 1.038 282 V CB -1.402 30.289 31.823 -0.220 0.000 0.651 282 V HN 1.084 nan 8.190 nan 0.000 0.450 283 G N -1.585 107.184 108.800 -0.051 0.000 2.920 283 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.208 283 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.208 283 G C 1.291 176.176 174.900 -0.025 0.000 1.159 283 G CA 0.528 45.599 45.100 -0.048 0.000 0.784 283 G HN 0.613 nan 8.290 nan 0.000 0.535 284 Q N -0.369 119.427 119.800 -0.007 0.000 2.444 284 Q HA 0.260 4.599 4.340 -0.001 0.000 0.206 284 Q C 1.726 177.740 176.000 0.023 0.000 0.948 284 Q CA 0.194 56.005 55.803 0.014 0.000 0.946 284 Q CB -0.027 28.725 28.738 0.023 0.000 1.027 284 Q HN 0.504 nan 8.270 nan 0.000 0.513 285 L N -1.441 119.780 121.223 -0.004 0.000 2.435 285 L HA 0.279 4.619 4.340 -0.001 0.000 0.195 285 L C 2.257 179.091 176.870 -0.059 0.000 1.072 285 L CA 0.592 55.407 54.840 -0.042 0.000 0.833 285 L CB -0.569 41.455 42.059 -0.059 0.000 1.081 285 L HN 0.137 nan 8.230 nan 0.000 0.485 286 A N -0.537 122.251 122.820 -0.053 0.000 2.148 286 A HA -0.282 4.037 4.320 -0.001 0.000 0.222 286 A C 2.087 179.635 177.584 -0.061 0.000 1.161 286 A CA 1.947 53.937 52.037 -0.079 0.000 0.662 286 A CB -0.957 17.997 19.000 -0.078 0.000 0.799 286 A HN 0.569 nan 8.150 nan 0.000 0.466 287 H N -1.015 117.985 119.070 -0.117 0.000 2.283 287 H HA 0.019 4.574 4.556 -0.001 0.000 0.320 287 H C 2.160 177.419 175.328 -0.116 0.000 1.074 287 H CA 1.507 57.488 56.048 -0.112 0.000 1.476 287 H CB -0.070 29.638 29.762 -0.090 0.000 1.465 287 H HN 0.321 nan 8.280 nan 0.000 0.573 288 K N 1.053 121.380 120.400 -0.122 0.000 2.044 288 K HA -0.144 4.176 4.320 -0.001 0.000 0.210 288 K C 2.444 178.903 176.600 -0.236 0.000 1.049 288 K CA 1.594 57.765 56.287 -0.194 0.000 0.927 288 K CB -0.949 31.520 32.500 -0.052 0.000 0.713 288 K HN 0.254 nan 8.250 nan 0.000 0.443 289 L N 0.494 121.600 121.223 -0.195 0.000 1.970 289 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 289 L C 2.091 178.811 176.870 -0.251 0.000 1.071 289 L CA 2.518 57.222 54.840 -0.227 0.000 0.751 289 L CB -1.170 40.773 42.059 -0.193 0.000 0.889 289 L HN 0.256 nan 8.230 nan 0.000 0.432 290 A N -1.474 121.206 122.820 -0.234 0.000 2.172 290 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 290 A C 2.243 179.678 177.584 -0.248 0.000 1.154 290 A CA 1.374 53.269 52.037 -0.235 0.000 0.701 290 A CB -0.708 18.160 19.000 -0.220 0.000 0.789 290 A HN 0.685 nan 8.150 nan 0.000 0.465 291 E N 0.105 120.130 120.200 -0.290 0.000 2.122 291 E HA -0.107 4.243 4.350 -0.001 0.000 0.190 291 E C 0.513 176.973 176.600 -0.234 0.000 0.977 291 E CA 0.785 57.016 56.400 -0.283 0.000 0.820 291 E CB -0.033 29.443 29.700 -0.373 0.000 0.770 291 E HN 0.506 nan 8.360 nan 0.000 0.462 292 N N 1.308 119.850 118.700 -0.263 0.000 2.313 292 N HA 0.036 4.776 4.740 -0.001 0.000 0.207 292 N C -0.837 174.498 175.510 -0.290 0.000 1.141 292 N CA 0.243 53.126 53.050 -0.278 0.000 0.830 292 N CB -0.000 38.276 38.487 -0.352 0.000 1.008 292 N HN 0.224 nan 8.380 nan 0.000 0.481 293 N N 0.039 118.587 118.700 -0.254 0.000 2.740 293 N HA -0.182 4.558 4.740 -0.001 0.000 0.248 293 N C -1.084 174.262 175.510 -0.273 0.000 1.062 293 N CA 0.328 53.230 53.050 -0.246 0.000 0.704 293 N CB -1.151 37.216 38.487 -0.201 0.000 0.968 293 N HN 0.353 nan 8.380 nan 0.000 0.547 294 I N 0.482 120.871 120.570 -0.303 0.000 2.493 294 I HA 0.322 4.492 4.170 -0.001 0.000 0.298 294 I C -0.228 175.743 176.117 -0.243 0.000 0.998 294 I CA -0.614 60.503 61.300 -0.305 0.000 1.137 294 I CB 1.686 39.435 38.000 -0.419 0.000 1.310 294 I HN 0.003 nan 8.210 nan 0.000 0.445 295 Q N 6.012 125.691 119.800 -0.203 0.000 2.444 295 Q HA 0.394 4.733 4.340 -0.001 0.000 0.251 295 Q C -2.565 173.309 176.000 -0.209 0.000 0.939 295 Q CA -1.831 53.852 55.803 -0.201 0.000 0.740 295 Q CB 2.047 30.678 28.738 -0.177 0.000 1.308 295 Q HN 0.244 nan 8.270 nan 0.000 0.461 296 P HA 0.199 nan 4.420 nan 0.000 0.271 296 P C -0.221 176.813 177.300 -0.444 0.000 1.233 296 P CA 0.010 62.906 63.100 -0.340 0.000 0.789 296 P CB 0.775 32.191 31.700 -0.474 0.000 0.951 297 I N 1.661 122.003 120.570 -0.379 0.000 2.495 297 I HA 0.235 4.404 4.170 -0.001 0.000 0.277 297 I C -0.330 175.629 176.117 -0.264 0.000 1.045 297 I CA -0.751 60.366 61.300 -0.305 0.000 1.135 297 I CB 0.352 38.268 38.000 -0.140 0.000 1.241 297 I HN 0.147 nan 8.210 nan 0.000 0.469 298 F N 4.785 124.671 119.950 -0.106 0.000 2.602 298 F HA 0.266 4.792 4.527 -0.000 0.000 0.385 298 F C 0.957 176.699 175.800 -0.097 0.000 1.063 298 F CA 0.001 57.892 58.000 -0.183 0.000 1.233 298 F CB 0.351 39.201 39.000 -0.249 0.000 1.067 298 F HN 0.491 nan 8.300 nan 0.000 0.564 299 A N 4.089 126.961 122.820 0.087 0.000 2.684 299 A HA 0.671 4.991 4.320 -0.001 0.000 0.289 299 A C -0.823 176.812 177.584 0.085 0.000 1.139 299 A CA -0.343 51.741 52.037 0.079 0.000 0.793 299 A CB 0.411 19.440 19.000 0.047 0.000 1.334 299 A HN 0.861 nan 8.150 nan 0.000 0.408 300 V N -0.577 119.417 119.914 0.133 0.000 3.069 300 V HA 0.888 5.008 4.120 -0.001 0.000 0.312 300 V C 0.346 176.538 176.094 0.163 0.000 1.369 300 V CA -0.228 62.177 62.300 0.175 0.000 1.047 300 V CB 0.785 32.799 31.823 0.318 0.000 1.098 300 V HN 1.261 nan 8.190 nan 0.000 0.473 301 T N -0.565 114.090 114.554 0.168 0.000 2.802 301 T HA 0.233 4.583 4.350 -0.001 0.000 0.305 301 T C 1.297 176.071 174.700 0.123 0.000 1.053 301 T CA 0.450 62.628 62.100 0.129 0.000 1.058 301 T CB 0.715 69.654 68.868 0.118 0.000 0.988 301 T HN 1.814 nan 8.240 nan 0.000 0.539 302 S N -0.092 115.664 115.700 0.092 0.000 2.515 302 S HA -0.092 4.377 4.470 -0.001 0.000 0.231 302 S C 1.880 176.521 174.600 0.068 0.000 0.987 302 S CA 0.240 58.487 58.200 0.077 0.000 0.936 302 S CB -0.519 62.717 63.200 0.060 0.000 0.766 302 S HN 0.768 nan 8.310 nan 0.000 0.528 303 R N 0.207 120.751 120.500 0.073 0.000 2.148 303 R HA 0.189 4.528 4.340 -0.001 0.000 0.223 303 R C 0.817 177.151 176.300 0.057 0.000 1.088 303 R CA 0.847 56.982 56.100 0.058 0.000 0.985 303 R CB -0.047 30.289 30.300 0.060 0.000 0.880 303 R HN 0.384 nan 8.270 nan 0.000 0.451 304 M N 0.350 120.006 119.600 0.094 0.000 2.589 304 M HA 0.058 4.537 4.480 -0.001 0.000 0.344 304 M C 1.105 177.481 176.300 0.127 0.000 1.168 304 M CA 0.057 55.405 55.300 0.081 0.000 0.956 304 M CB 1.026 33.740 32.600 0.190 0.000 1.370 304 M HN -0.024 nan 8.290 nan 0.000 0.518 305 V N 1.116 121.091 119.914 0.103 0.000 2.446 305 V HA -0.055 4.065 4.120 -0.001 0.000 0.244 305 V C 1.792 177.916 176.094 0.050 0.000 1.039 305 V CA 1.751 64.119 62.300 0.112 0.000 1.045 305 V CB 0.106 31.982 31.823 0.088 0.000 0.681 305 V HN 0.415 nan 8.190 nan 0.000 0.459 306 K N -0.611 119.795 120.400 0.009 0.000 2.404 306 K HA 0.055 4.374 4.320 -0.001 0.000 0.194 306 K C 1.738 178.302 176.600 -0.061 0.000 1.023 306 K CA 0.816 57.093 56.287 -0.017 0.000 1.094 306 K CB 0.224 32.720 32.500 -0.008 0.000 0.841 306 K HN 0.481 nan 8.250 nan 0.000 0.523 307 T N -0.866 113.620 114.554 -0.114 0.000 3.031 307 T HA -0.015 4.335 4.350 -0.001 0.000 0.254 307 T C 1.154 175.658 174.700 -0.327 0.000 1.060 307 T CA 0.631 62.617 62.100 -0.189 0.000 1.135 307 T CB 0.026 68.767 68.868 -0.212 0.000 0.896 307 T HN 0.120 nan 8.240 nan 0.000 0.472 308 Y N 1.315 121.444 120.300 -0.285 0.000 2.544 308 Y HA 0.282 4.832 4.550 -0.000 0.000 0.286 308 Y C 2.263 177.844 175.900 -0.531 0.000 1.141 308 Y CA 0.303 58.017 58.100 -0.644 0.000 1.299 308 Y CB -0.195 37.793 38.460 -0.786 0.000 1.030 308 Y HN 0.286 nan 8.280 nan 0.000 0.543 309 E N 0.842 120.962 120.200 -0.133 0.000 2.072 309 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 309 E C 1.838 178.389 176.600 -0.081 0.000 0.985 309 E CA 1.337 57.692 56.400 -0.075 0.000 0.801 309 E CB 0.040 29.724 29.700 -0.027 0.000 0.750 309 E HN -0.041 nan 8.360 nan 0.000 0.452 310 K N 0.056 120.400 120.400 -0.092 0.000 2.283 310 K HA -0.076 4.244 4.320 -0.001 0.000 0.202 310 K C 1.899 178.445 176.600 -0.091 0.000 1.048 310 K CA 0.529 56.771 56.287 -0.074 0.000 0.948 310 K CB -0.278 32.184 32.500 -0.064 0.000 0.742 310 K HN 0.233 nan 8.250 nan 0.000 0.458 311 L N 1.018 122.144 121.223 -0.162 0.000 2.313 311 L HA -0.007 4.332 4.340 -0.001 0.000 0.214 311 L C 1.707 178.533 176.870 -0.074 0.000 1.119 311 L CA 1.586 56.323 54.840 -0.172 0.000 0.809 311 L CB -0.510 41.330 42.059 -0.365 0.000 0.933 311 L HN -0.006 nan 8.230 nan 0.000 0.449 312 T N -0.476 114.042 114.554 -0.059 0.000 2.821 312 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 312 T C 1.645 176.383 174.700 0.063 0.000 1.046 312 T CA 1.209 63.362 62.100 0.088 0.000 1.139 312 T CB -0.084 68.839 68.868 0.091 0.000 0.871 312 T HN 0.348 nan 8.240 nan 0.000 0.454 313 E N 1.036 121.247 120.200 0.018 0.000 2.049 313 E HA -0.109 4.241 4.350 -0.001 0.000 0.198 313 E C 2.209 178.811 176.600 0.003 0.000 1.007 313 E CA 0.926 57.334 56.400 0.013 0.000 0.809 313 E CB -0.363 29.332 29.700 -0.008 0.000 0.749 313 E HN 0.365 nan 8.360 nan 0.000 0.450 314 I N 1.209 121.769 120.570 -0.016 0.000 2.055 314 I HA -0.132 4.038 4.170 -0.001 0.000 0.228 314 I C 1.860 177.952 176.117 -0.041 0.000 1.050 314 I CA 0.353 61.631 61.300 -0.036 0.000 1.326 314 I CB -1.022 36.950 38.000 -0.047 0.000 1.077 314 I HN 0.081 nan 8.210 nan 0.000 0.392 315 I N 2.601 123.158 120.570 -0.022 0.000 2.752 315 I HA 0.009 4.179 4.170 -0.001 0.000 0.287 315 I C -2.021 174.069 176.117 -0.044 0.000 1.188 315 I CA -1.184 60.089 61.300 -0.044 0.000 1.427 315 I CB 0.969 38.964 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 -1.402 175.902 177.300 0.006 0.000 1.261 316 P CA -0.479 62.517 63.100 -0.174 0.000 0.800 316 P CB 0.294 31.607 31.700 -0.644 0.000 1.066 317 K N -0.567 119.982 120.400 0.247 0.000 4.838 317 K HA -0.061 4.259 4.320 -0.001 0.000 0.300 317 K C -0.693 175.915 176.600 0.014 0.000 0.861 317 K CA 0.679 57.059 56.287 0.156 0.000 0.929 317 K CB -2.163 30.389 32.500 0.087 0.000 1.772 317 K HN 0.682 nan 8.250 nan 0.000 0.422 318 S N -0.821 114.909 115.700 0.049 0.000 2.562 318 S HA 0.748 5.218 4.470 -0.001 0.000 0.274 318 S C -0.741 173.928 174.600 0.114 0.000 1.160 318 S CA -0.616 57.582 58.200 -0.004 0.000 0.933 318 S CB 2.290 65.518 63.200 0.047 0.000 1.100 318 S HN 0.536 nan 8.310 nan 0.000 0.468 319 A N 1.943 124.811 122.820 0.079 0.000 2.330 319 A HA 0.936 5.255 4.320 -0.001 0.000 0.329 319 A C -0.006 177.717 177.584 0.232 0.000 1.135 319 A CA -0.695 51.420 52.037 0.130 0.000 0.817 319 A CB 1.290 20.326 19.000 0.060 0.000 1.269 319 A HN 1.986 nan 8.150 nan 0.000 0.469 320 V N -0.988 119.036 119.914 0.183 0.000 2.435 320 V HA 0.876 4.995 4.120 -0.001 0.000 0.290 320 V C 0.148 176.318 176.094 0.127 0.000 1.030 320 V CA 0.071 62.478 62.300 0.178 0.000 0.881 320 V CB 1.135 33.030 31.823 0.121 0.000 0.983 320 V HN 1.414 nan 8.190 nan 0.000 0.445 321 G N 2.998 111.875 108.800 0.128 0.000 2.990 321 G HA2 0.413 4.373 3.960 -0.001 0.000 0.300 321 G HA3 0.413 4.373 3.960 -0.001 0.000 0.300 321 G C -0.576 174.385 174.900 0.102 0.000 1.498 321 G CA -0.330 44.830 45.100 0.101 0.000 1.074 321 G HN 0.811 nan 8.290 nan 0.000 0.542 322 E N 2.553 122.808 120.200 0.092 0.000 2.290 322 E HA 0.371 4.721 4.350 -0.001 0.000 0.277 322 E C -0.572 176.075 176.600 0.079 0.000 1.035 322 E CA -0.163 56.290 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 0.433 nan 8.360 nan 0.000 0.419 323 L N 1.020 122.293 121.223 0.082 0.000 2.403 323 L HA 0.584 4.924 4.340 -0.001 0.000 0.253 323 L C -0.037 176.875 176.870 0.070 0.000 1.045 323 L CA -1.029 53.855 54.840 0.074 0.000 0.845 323 L CB 1.063 43.169 42.059 0.079 0.000 1.447 323 L HN 0.123 nan 8.230 nan 0.000 0.411 324 S N -0.411 115.325 115.700 0.061 0.000 2.600 324 S HA 0.157 4.626 4.470 -0.001 0.000 0.265 324 S C 0.747 175.383 174.600 0.059 0.000 1.325 324 S CA -0.050 58.183 58.200 0.055 0.000 1.002 324 S CB 0.777 64.004 63.200 0.046 0.000 0.921 324 S HN 0.795 nan 8.310 nan 0.000 0.554 325 E N 1.023 121.255 120.200 0.054 0.000 2.512 325 E HA -0.073 4.277 4.350 -0.001 0.000 0.195 325 E C 0.565 177.193 176.600 0.046 0.000 1.083 325 E CA 0.552 56.985 56.400 0.054 0.000 0.873 325 E CB -0.204 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 -1.949 118.478 120.400 0.044 0.000 2.407 326 D HA 0.050 4.690 4.640 -0.001 0.000 0.208 326 D C 0.048 176.374 176.300 0.044 0.000 1.083 326 D CA 0.273 54.294 54.000 0.036 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 -0.735 115.002 115.700 0.061 0.000 3.641 327 S HA -0.222 4.248 4.470 -0.001 0.000 0.346 327 S C 1.300 175.941 174.600 0.069 0.000 1.074 327 S CA 0.800 59.049 58.200 0.082 0.000 1.026 327 S CB -2.144 61.119 63.200 0.105 0.000 0.908 327 S HN 0.659 nan 8.310 nan 0.000 0.479 328 S N 1.287 117.019 115.700 0.053 0.000 2.404 328 S HA -0.049 4.421 4.470 -0.001 0.000 0.223 328 S C 0.982 175.611 174.600 0.048 0.000 1.040 328 S CA 0.569 58.794 58.200 0.042 0.000 0.957 328 S CB -0.316 62.903 63.200 0.032 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 -0.001 0.000 0.269 329 N C 0.660 176.215 175.510 0.075 0.000 1.204 329 N CA -0.145 52.940 53.050 0.058 0.000 0.947 329 N CB 0.341 38.860 38.487 0.054 0.000 1.258 329 N HN 0.308 nan 8.380 nan 0.000 0.508 330 V N -0.441 119.527 119.914 0.089 0.000 2.788 330 V HA -0.027 4.092 4.120 -0.001 0.000 0.251 330 V C 1.493 177.659 176.094 0.120 0.000 1.068 330 V CA 0.852 63.225 62.300 0.122 0.000 1.090 330 V CB 0.026 31.955 31.823 0.176 0.000 0.710 330 V HN 0.258 nan 8.190 nan 0.000 0.467 331 V N 0.004 119.974 119.914 0.094 0.000 2.871 331 V HA -0.155 3.965 4.120 -0.001 0.000 0.256 331 V C 2.243 178.386 176.094 0.082 0.000 1.082 331 V CA 1.828 64.180 62.300 0.087 0.000 1.105 331 V CB -0.554 31.306 31.823 0.062 0.000 0.713 331 V HN 0.647 nan 8.190 nan 0.000 0.473 332 Q N -0.190 119.655 119.800 0.074 0.000 2.472 332 Q HA -0.016 4.324 4.340 -0.001 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 -0.047 28.727 28.738 0.060 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N -0.008 121.264 121.223 0.082 0.000 2.046 333 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 333 L C 1.997 178.911 176.870 0.073 0.000 1.077 333 L CA 1.078 55.964 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 -0.619 120.004 120.570 0.089 0.000 3.059 334 I HA -0.146 4.024 4.170 -0.001 0.000 0.270 334 I C 2.330 178.542 176.117 0.158 0.000 1.238 334 I CA 0.336 61.698 61.300 0.104 0.000 1.478 334 I CB -0.137 37.941 38.000 0.130 0.000 1.097 334 I HN 0.127 nan 8.210 nan 0.000 0.455 335 K N 1.725 122.202 120.400 0.128 0.000 2.283 335 K HA -0.089 4.231 4.320 -0.001 0.000 0.202 335 K C 1.270 177.938 176.600 0.113 0.000 1.048 335 K CA 1.403 57.763 56.287 0.122 0.000 0.948 335 K CB -0.086 32.465 32.500 0.086 0.000 0.742 335 K HN 0.214 nan 8.250 nan 0.000 0.458 336 N N -0.312 118.444 118.700 0.094 0.000 2.254 336 N HA 0.153 4.892 4.740 -0.001 0.000 0.190 336 N C 0.886 176.437 175.510 0.068 0.000 1.107 336 N CA 0.698 53.796 53.050 0.080 0.000 0.869 336 N CB 0.495 39.023 38.487 0.068 0.000 0.983 336 N HN 0.231 nan 8.380 nan 0.000 0.487 337 A N 0.477 123.332 122.820 0.058 0.000 1.832 337 A HA -0.033 4.287 4.320 -0.001 0.000 0.214 337 A C 1.600 179.172 177.584 -0.020 0.000 1.242 337 A CA 0.840 52.863 52.037 -0.023 0.000 0.603 337 A CB -1.184 17.752 19.000 -0.108 0.000 0.902 337 A HN 0.219 nan 8.150 nan 0.000 0.455 338 Y N 0.750 121.082 120.300 0.054 0.000 2.365 338 Y HA -0.253 4.297 4.550 -0.001 0.000 0.287 338 Y C 2.507 178.441 175.900 0.057 0.000 1.162 338 Y CA 1.265 59.401 58.100 0.060 0.000 1.260 338 Y CB -0.333 38.162 38.460 0.057 0.000 0.976 338 Y HN 0.471 nan 8.280 nan 0.000 0.548 339 N N 0.768 119.578 118.700 0.183 0.000 2.061 339 N HA -0.188 4.552 4.740 -0.001 0.000 0.193 339 N C 0.811 176.381 175.510 0.099 0.000 1.030 339 N CA 1.661 54.785 53.050 0.123 0.000 0.856 339 N CB -0.006 38.537 38.487 0.094 0.000 1.023 339 N HN 0.102 nan 8.380 nan 0.000 0.424 340 K N -0.495 119.953 120.400 0.080 0.000 2.619 340 K HA 0.157 4.476 4.320 -0.001 0.000 0.201 340 K C 0.406 177.036 176.600 0.050 0.000 1.090 340 K CA -0.176 56.148 56.287 0.062 0.000 1.063 340 K CB 0.589 33.120 32.500 0.052 0.000 0.810 340 K HN 0.150 nan 8.250 nan 0.000 0.506 341 L N -0.108 121.146 121.223 0.051 0.000 2.500 341 L HA 0.249 4.589 4.340 -0.001 0.000 0.219 341 L C 1.120 178.044 176.870 0.089 0.000 1.057 341 L CA 1.336 56.191 54.840 0.025 0.000 0.854 341 L CB 0.419 42.434 42.059 -0.073 0.000 1.078 341 L HN -0.137 nan 8.230 nan 0.000 0.480 342 S N -1.101 114.693 115.700 0.157 0.000 2.634 342 S HA 0.134 4.604 4.470 -0.001 0.000 0.221 342 S C 1.530 176.244 174.600 0.190 0.000 0.952 342 S CA 0.557 58.901 58.200 0.241 0.000 0.930 342 S CB 0.019 63.414 63.200 0.325 0.000 0.780 342 S HN 0.418 nan 8.310 nan 0.000 0.498 343 S N 1.078 116.850 115.700 0.120 0.000 2.514 343 S HA 0.190 4.660 4.470 -0.001 0.000 0.223 343 S C 0.753 175.356 174.600 0.006 0.000 1.046 343 S CA -0.225 58.021 58.200 0.076 0.000 0.914 343 S CB 0.270 63.505 63.200 0.058 0.000 0.807 343 S HN 0.351 nan 8.310 nan 0.000 0.497 344 R N 2.643 123.113 120.500 -0.050 0.000 2.893 344 R HA 0.220 4.560 4.340 -0.001 0.000 0.243 344 R C -1.026 175.043 176.300 -0.385 0.000 1.481 344 R CA -0.066 55.860 56.100 -0.289 0.000 1.250 344 R CB -0.099 30.018 30.300 -0.305 0.000 1.213 344 R HN 0.091 nan 8.270 nan 0.000 0.609 345 V N 4.739 124.487 119.914 -0.276 0.000 2.439 345 V HA 0.118 4.237 4.120 -0.001 0.000 0.271 345 V C 0.240 176.072 176.094 -0.437 0.000 1.040 345 V CA 0.365 62.516 62.300 -0.247 0.000 1.002 345 V CB -0.116 31.654 31.823 -0.089 0.000 1.000 345 V HN 0.413 nan 8.190 nan 0.000 0.477 346 F N 4.599 124.459 119.950 -0.150 0.000 2.470 346 F HA 0.659 5.186 4.527 -0.001 0.000 0.329 346 F C 0.140 175.708 175.800 -0.387 0.000 1.072 346 F CA -0.710 57.154 58.000 -0.227 0.000 0.989 346 F CB 1.933 40.874 39.000 -0.097 0.000 1.193 346 F HN 0.281 nan 8.300 nan 0.000 0.481 347 L N 2.691 123.764 121.223 -0.251 0.000 2.685 347 L HA 0.318 4.658 4.340 -0.001 0.000 0.297 347 L C -0.857 175.776 176.870 -0.396 0.000 1.367 347 L CA -0.020 54.562 54.840 -0.431 0.000 0.703 347 L CB -0.489 41.038 42.059 -0.888 0.000 1.039 347 L HN 0.448 nan 8.230 nan 0.000 0.529 348 D N 0.046 120.349 120.400 -0.161 0.000 2.469 348 D HA 0.523 5.163 4.640 -0.001 0.000 0.278 348 D C -0.104 176.320 176.300 0.207 0.000 1.231 348 D CA 0.112 54.089 54.000 -0.038 0.000 1.075 348 D CB 0.572 41.280 40.800 -0.153 0.000 1.121 348 D HN 0.437 nan 8.370 nan 0.000 0.571 349 H N -1.998 117.122 119.070 0.083 0.000 3.017 349 H HA 0.365 4.920 4.556 -0.001 0.000 0.346 349 H C -0.817 174.566 175.328 0.093 0.000 1.286 349 H CA -0.864 55.275 56.048 0.151 0.000 1.120 349 H CB 0.085 29.993 29.762 0.243 0.000 1.860 349 H HN 0.059 nan 8.280 nan 0.000 0.542 350 N N 0.028 118.843 118.700 0.193 0.000 2.395 350 N HA 0.190 4.930 4.740 -0.001 0.000 0.246 350 N C 0.129 175.664 175.510 0.042 0.000 1.246 350 N CA 0.417 53.524 53.050 0.095 0.000 0.879 350 N CB 0.378 38.958 38.487 0.154 0.000 1.098 350 N HN 0.710 nan 8.380 nan 0.000 0.444 351 A N 2.285 125.093 122.820 -0.019 0.000 2.512 351 A HA 0.125 4.444 4.320 -0.001 0.000 0.278 351 A C 0.238 177.827 177.584 0.009 0.000 1.128 351 A CA -0.212 51.802 52.037 -0.038 0.000 0.818 351 A CB -1.249 17.728 19.000 -0.039 0.000 1.044 351 A HN 0.587 nan 8.150 nan 0.000 0.526 352 L N 2.774 124.010 121.223 0.021 0.000 2.464 352 L HA 0.627 4.966 4.340 -0.001 0.000 0.264 352 L C -1.828 175.023 176.870 -0.032 0.000 1.199 352 L CA -1.762 53.061 54.840 -0.029 0.000 0.818 352 L CB -0.888 41.090 42.059 -0.135 0.000 1.102 352 L HN 0.417 nan 8.230 nan 0.000 0.473 353 P HA 0.048 nan 4.420 nan 0.000 0.269 353 P C -0.287 176.989 177.300 -0.041 0.000 1.215 353 P CA -0.143 62.939 63.100 -0.030 0.000 0.780 353 P CB 0.491 32.178 31.700 -0.022 0.000 0.898 354 D N -0.177 120.199 120.400 -0.039 0.000 2.265 354 D HA -0.158 4.482 4.640 -0.001 0.000 0.208 354 D C 1.151 177.419 176.300 -0.054 0.000 0.977 354 D CA 1.533 55.504 54.000 -0.048 0.000 0.871 354 D CB -1.391 39.376 40.800 -0.055 0.000 0.925 354 D HN 0.451 nan 8.370 nan 0.000 0.485 355 T N -2.220 112.307 114.554 -0.045 0.000 3.227 355 T HA 0.213 4.563 4.350 -0.001 0.000 0.257 355 T C 0.703 175.379 174.700 -0.041 0.000 1.162 355 T CA -0.115 61.961 62.100 -0.039 0.000 1.051 355 T CB -0.442 68.408 68.868 -0.029 0.000 0.953 355 T HN 0.139 nan 8.240 nan 0.000 0.535 356 L N -0.197 120.993 121.223 -0.055 0.000 2.376 356 L HA 0.673 5.012 4.340 -0.001 0.000 0.258 356 L C -0.843 175.983 176.870 -0.074 0.000 1.013 356 L CA -1.280 53.517 54.840 -0.073 0.000 0.822 356 L CB 2.275 44.263 42.059 -0.120 0.000 1.388 356 L HN -0.180 nan 8.230 nan 0.000 0.413 357 K N 1.883 122.234 120.400 -0.080 0.000 2.535 357 K HA 0.646 4.966 4.320 -0.001 0.000 0.250 357 K C -1.511 175.020 176.600 -0.115 0.000 0.948 357 K CA -0.542 55.706 56.287 -0.065 0.000 0.796 357 K CB 2.742 35.229 32.500 -0.022 0.000 1.216 357 K HN 0.246 nan 8.250 nan 0.000 0.432 358 V N 1.667 121.495 119.914 -0.144 0.000 2.680 358 V HA 0.632 4.752 4.120 -0.001 0.000 0.309 358 V C 0.261 176.241 176.094 -0.191 0.000 1.052 358 V CA -0.605 61.532 62.300 -0.270 0.000 0.908 358 V CB 2.018 33.504 31.823 -0.562 0.000 1.001 358 V HN 1.022 nan 8.190 nan 0.000 0.431 359 T N 0.612 114.978 114.554 -0.314 0.000 2.804 359 T HA 0.843 5.193 4.350 -0.001 0.000 0.290 359 T C -1.359 173.069 174.700 -0.453 0.000 1.099 359 T CA -0.649 61.349 62.100 -0.171 0.000 1.011 359 T CB 2.005 70.837 68.868 -0.062 0.000 1.291 359 T HN 0.373 nan 8.240 nan 0.000 0.523 360 Y N -1.203 119.083 120.300 -0.024 0.000 2.689 360 Y HA 0.705 5.254 4.550 -0.001 0.000 0.333 360 Y C -0.908 175.014 175.900 0.037 0.000 1.190 360 Y CA -0.992 57.107 58.100 -0.003 0.000 1.063 360 Y CB 1.566 40.028 38.460 0.002 0.000 1.294 360 Y HN 0.710 nan 8.280 nan 0.000 0.466 361 D N -0.789 119.780 120.400 0.281 0.000 2.533 361 D HA 0.736 5.375 4.640 -0.001 0.000 0.247 361 D C -1.390 175.078 176.300 0.279 0.000 1.056 361 D CA -0.714 53.407 54.000 0.201 0.000 1.054 361 D CB 2.121 43.014 40.800 0.154 0.000 1.400 361 D HN 0.340 nan 8.370 nan 0.000 0.533 362 S N 0.031 115.805 115.700 0.123 0.000 2.677 362 S HA 0.472 4.941 4.470 -0.001 0.000 0.283 362 S C -1.322 173.205 174.600 -0.121 0.000 1.159 362 S CA -0.545 57.716 58.200 0.101 0.000 1.001 362 S CB 0.548 63.857 63.200 0.182 0.000 1.032 362 S HN 0.284 nan 8.310 nan 0.000 0.487 363 F N 1.854 121.757 119.950 -0.079 0.000 2.531 363 F HA 0.311 4.837 4.527 -0.000 0.000 0.333 363 F C 0.515 176.251 175.800 -0.105 0.000 1.292 363 F CA -0.636 57.319 58.000 -0.076 0.000 1.184 363 F CB 0.305 39.254 39.000 -0.085 0.000 1.426 363 F HN 0.481 nan 8.300 nan 0.000 0.559 364 c N 0.668 119.296 118.600 0.047 0.000 2.775 364 c HA 0.017 4.586 4.570 -0.001 0.000 0.391 364 c C 2.259 176.375 174.090 0.043 0.000 1.295 364 c CA 0.561 56.907 56.329 0.028 0.000 2.119 364 c CB 0.787 43.317 42.510 0.034 0.000 2.705 364 c HN 0.876 nan 8.230 nan 0.000 0.710 365 S N 1.468 117.184 115.700 0.028 0.000 2.371 365 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 365 S C 0.621 175.236 174.600 0.023 0.000 1.029 365 S CA 1.224 59.439 58.200 0.025 0.000 0.978 365 S CB -0.565 62.647 63.200 0.020 0.000 0.833 365 S HN 0.899 nan 8.310 nan 0.000 0.466 366 N N 1.625 120.337 118.700 0.019 0.000 3.188 366 N HA 0.466 5.206 4.740 -0.001 0.000 0.279 366 N C 0.935 176.446 175.510 0.001 0.000 1.213 366 N CA 0.063 53.120 53.050 0.012 0.000 1.138 366 N CB -0.088 38.407 38.487 0.012 0.000 1.417 366 N HN 0.509 nan 8.380 nan 0.000 0.526 367 G N -0.662 108.142 108.800 0.006 0.000 2.417 367 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.233 367 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.233 367 G C -0.099 174.779 174.900 -0.036 0.000 1.103 367 G CA 0.181 45.276 45.100 -0.007 0.000 0.647 367 G HN 0.512 nan 8.290 nan 0.000 0.512 368 V N 2.169 122.042 119.914 -0.069 0.000 2.540 368 V HA 0.413 4.532 4.120 -0.001 0.000 0.297 368 V C 0.783 176.746 176.094 -0.218 0.000 1.024 368 V CA 1.406 63.591 62.300 -0.191 0.000 1.105 368 V CB 1.185 32.887 31.823 -0.203 0.000 0.938 368 V HN 0.379 nan 8.190 nan 0.000 0.482 369 T N 4.659 119.014 114.554 -0.330 0.000 3.427 369 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 369 T C -0.054 174.352 174.700 -0.490 0.000 1.733 369 T CA -0.294 61.536 62.100 -0.449 0.000 1.599 369 T CB -0.470 68.277 68.868 -0.201 0.000 0.964 369 T HN 0.757 nan 8.240 nan 0.000 0.701 370 H N 1.633 120.458 119.070 -0.409 0.000 2.603 370 H HA 0.610 5.165 4.556 -0.001 0.000 0.370 370 H C 0.571 175.719 175.328 -0.299 0.000 1.225 370 H CA -0.332 55.559 56.048 -0.262 0.000 1.410 370 H CB 0.776 30.448 29.762 -0.150 0.000 1.495 370 H HN 0.218 nan 8.280 nan 0.000 0.602 371 R N 1.552 122.063 120.500 0.018 0.000 2.536 371 R HA 0.167 4.506 4.340 -0.001 0.000 0.269 371 R C -1.291 175.021 176.300 0.020 0.000 1.113 371 R CA -1.093 54.999 56.100 -0.013 0.000 0.948 371 R CB 1.453 31.737 30.300 -0.027 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 3.058 121.778 118.700 0.034 0.000 2.422 372 N HA -0.168 4.571 4.740 -0.001 0.000 0.289 372 N C -1.335 174.193 175.510 0.031 0.000 1.385 372 N CA 1.055 54.125 53.050 0.034 0.000 0.639 372 N CB -0.395 38.104 38.487 0.020 0.000 0.914 372 N HN 0.726 nan 8.380 nan 0.000 0.516 373 Q N -0.604 119.234 119.800 0.064 0.000 2.805 373 Q HA 0.200 4.539 4.340 -0.001 0.000 0.257 373 Q C -2.666 173.418 176.000 0.139 0.000 0.977 373 Q CA -0.983 54.854 55.803 0.057 0.000 0.901 373 Q CB 2.579 31.305 28.738 -0.020 0.000 1.778 373 Q HN 0.157 nan 8.270 nan 0.000 0.441 374 P HA 0.065 nan 4.420 nan 0.000 0.280 374 P C -0.278 176.973 177.300 -0.082 0.000 1.278 374 P CA 0.190 63.402 63.100 0.186 0.000 0.787 374 P CB 0.571 32.350 31.700 0.130 0.000 1.163 375 R N -2.785 117.527 120.500 -0.314 0.000 3.868 375 R HA -0.126 4.214 4.340 -0.001 0.000 0.476 375 R C 0.621 176.644 176.300 -0.462 0.000 0.241 375 R CA 1.193 57.111 56.100 -0.304 0.000 1.496 375 R CB -1.950 28.322 30.300 -0.046 0.000 1.052 375 R HN 0.856 nan 8.270 nan 0.000 0.541 376 G N 0.225 108.843 108.800 -0.304 0.000 5.302 376 G HA2 0.095 4.054 3.960 -0.001 0.000 0.223 376 G HA3 0.095 4.054 3.960 -0.001 0.000 0.223 376 G C -1.181 173.695 174.900 -0.040 0.000 0.832 376 G CA 0.030 44.941 45.100 -0.314 0.000 0.714 376 G HN 0.515 nan 8.290 nan 0.000 0.444 377 D N 0.895 121.249 120.400 -0.077 0.000 2.383 377 D HA 0.131 4.771 4.640 -0.001 0.000 0.275 377 D C -0.142 176.148 176.300 -0.016 0.000 1.344 377 D CA 0.238 54.163 54.000 -0.125 0.000 0.984 377 D CB -0.018 40.742 40.800 -0.065 0.000 1.104 377 D HN 0.054 nan 8.370 nan 0.000 0.524 378 c N 4.412 123.001 118.600 -0.018 0.000 2.521 378 c HA 0.178 4.748 4.570 -0.001 0.000 0.291 378 c C 0.487 174.579 174.090 0.004 0.000 1.074 378 c CA -1.011 55.343 56.329 0.041 0.000 1.495 378 c CB 0.352 42.913 42.510 0.086 0.000 1.862 378 c HN 0.501 nan 8.230 nan 0.000 0.418 379 D N 1.546 121.948 120.400 0.003 0.000 2.870 379 D HA 0.253 4.892 4.640 -0.001 0.000 0.241 379 D C 1.153 177.470 176.300 0.028 0.000 1.234 379 D CA 0.358 54.360 54.000 0.005 0.000 0.844 379 D CB -0.145 40.659 40.800 0.006 0.000 1.051 379 D HN 0.794 nan 8.370 nan 0.000 0.469 380 G N -0.133 108.688 108.800 0.035 0.000 5.084 380 G HA2 0.372 4.332 3.960 -0.001 0.000 0.241 380 G HA3 0.372 4.332 3.960 -0.001 0.000 0.241 380 G C -0.507 174.419 174.900 0.044 0.000 0.918 380 G CA -0.120 45.003 45.100 0.038 0.000 0.754 380 G HN 0.203 nan 8.290 nan 0.000 0.478 381 V N -2.087 117.861 119.914 0.058 0.000 2.932 381 V HA 0.799 4.919 4.120 -0.001 0.000 0.307 381 V C -0.107 176.044 176.094 0.095 0.000 1.147 381 V CA -0.688 61.656 62.300 0.073 0.000 0.951 381 V CB 1.491 33.367 31.823 0.088 0.000 1.031 381 V HN 0.349 nan 8.190 nan 0.000 0.426 382 Q N 4.061 123.914 119.800 0.089 0.000 2.013 382 Q HA 0.484 4.824 4.340 -0.001 0.000 0.158 382 Q C 1.052 177.106 176.000 0.090 0.000 0.517 382 Q CA -0.174 55.688 55.803 0.098 0.000 0.753 382 Q CB 0.783 29.565 28.738 0.073 0.000 1.005 382 Q HN 0.571 nan 8.270 nan 0.000 0.393 383 I N 0.538 121.137 120.570 0.048 0.000 3.284 383 I HA 0.083 4.253 4.170 -0.001 0.000 0.231 383 I C 0.561 176.675 176.117 -0.006 0.000 1.041 383 I CA 0.318 61.629 61.300 0.018 0.000 1.478 383 I CB 0.198 38.195 38.000 -0.004 0.000 1.340 383 I HN 0.254 nan 8.210 nan 0.000 0.449 384 N N 0.889 119.580 118.700 -0.015 0.000 2.818 384 N HA 0.268 5.008 4.740 -0.001 0.000 0.301 384 N C -1.542 173.954 175.510 -0.024 0.000 1.821 384 N CA 0.075 53.106 53.050 -0.033 0.000 0.930 384 N CB 0.745 39.209 38.487 -0.038 0.000 1.263 384 N HN -0.082 nan 8.380 nan 0.000 0.487 385 V N 2.627 122.533 119.914 -0.013 0.000 2.445 385 V HA 0.415 4.535 4.120 -0.001 0.000 0.283 385 V C -2.061 174.034 176.094 0.001 0.000 1.014 385 V CA -1.430 60.867 62.300 -0.006 0.000 0.852 385 V CB 1.747 33.574 31.823 0.008 0.000 1.021 385 V HN 0.268 nan 8.190 nan 0.000 0.435 386 P HA 0.269 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 0.223 63.319 63.100 -0.007 0.000 0.795 386 P CB 0.588 32.274 31.700 -0.023 0.000 0.936 387 I N -4.280 116.294 120.570 0.007 0.000 3.343 387 I HA 0.685 4.855 4.170 -0.001 0.000 0.315 387 I C -1.132 174.872 176.117 -0.187 0.000 1.153 387 I CA -0.863 60.374 61.300 -0.105 0.000 0.952 387 I CB 2.333 40.230 38.000 -0.171 0.000 1.287 387 I HN 0.039 nan 8.210 nan 0.000 0.472 388 T N 2.109 116.446 114.554 -0.362 0.000 3.031 388 T HA 0.575 4.925 4.350 -0.001 0.000 0.305 388 T C -1.190 173.295 174.700 -0.359 0.000 0.985 388 T CA -0.144 61.815 62.100 -0.234 0.000 1.008 388 T CB 0.674 69.506 68.868 -0.061 0.000 1.005 388 T HN 0.372 nan 8.240 nan 0.000 0.444 389 F N 2.145 122.182 119.950 0.145 0.000 2.449 389 F HA 0.461 4.987 4.527 -0.001 0.000 0.342 389 F C 0.630 176.486 175.800 0.093 0.000 1.127 389 F CA -1.010 57.074 58.000 0.141 0.000 0.975 389 F CB 1.823 40.908 39.000 0.143 0.000 1.146 389 F HN 0.348 nan 8.300 nan 0.000 0.444 390 Q N 3.845 123.789 119.800 0.238 0.000 2.456 390 Q HA 0.392 4.732 4.340 -0.001 0.000 0.234 390 Q C -1.214 174.732 176.000 -0.090 0.000 1.061 390 Q CA -0.493 55.345 55.803 0.060 0.000 0.896 390 Q CB 1.053 29.840 28.738 0.082 0.000 1.233 390 Q HN 0.569 nan 8.270 nan 0.000 0.506 391 V N 5.142 124.840 119.914 -0.359 0.000 2.427 391 V HA 0.171 4.290 4.120 -0.001 0.000 0.268 391 V C -0.105 175.568 176.094 -0.701 0.000 1.046 391 V CA -0.022 61.860 62.300 -0.695 0.000 0.970 391 V CB 0.791 31.989 31.823 -1.041 0.000 1.001 391 V HN 0.636 nan 8.190 nan 0.000 0.476 392 K N 4.463 124.601 120.400 -0.435 0.000 2.389 392 K HA 0.559 4.879 4.320 -0.001 0.000 0.261 392 K C -1.112 175.389 176.600 -0.165 0.000 1.014 392 K CA -0.523 55.629 56.287 -0.225 0.000 0.920 392 K CB 1.965 34.387 32.500 -0.129 0.000 1.149 392 K HN 0.454 nan 8.250 nan 0.000 0.444 393 V N 3.036 122.935 119.914 -0.024 0.000 2.370 393 V HA 0.300 4.419 4.120 -0.001 0.000 0.279 393 V C -0.023 176.084 176.094 0.023 0.000 1.029 393 V CA -0.380 61.928 62.300 0.013 0.000 0.870 393 V CB 1.485 33.412 31.823 0.174 0.000 0.984 393 V HN 0.733 nan 8.190 nan 0.000 0.451 394 T N 3.667 118.210 114.554 -0.017 0.000 2.908 394 T HA 0.825 5.175 4.350 -0.001 0.000 0.290 394 T C -0.124 174.569 174.700 -0.012 0.000 1.034 394 T CA -0.366 61.732 62.100 -0.004 0.000 1.010 394 T CB 2.044 70.908 68.868 -0.006 0.000 1.068 394 T HN 0.892 nan 8.240 nan 0.000 0.481 395 A N 0.736 123.554 122.820 -0.003 0.000 2.346 395 A HA 0.778 5.098 4.320 -0.001 0.000 0.313 395 A C 1.149 178.731 177.584 -0.003 0.000 1.140 395 A CA -0.342 51.690 52.037 -0.008 0.000 0.826 395 A CB 1.000 19.996 19.000 -0.007 0.000 1.332 395 A HN 0.897 nan 8.150 nan 0.000 0.457 396 T N -2.174 112.379 114.554 -0.000 0.000 3.042 396 T HA 0.253 4.602 4.350 -0.001 0.000 0.245 396 T C 0.501 175.195 174.700 -0.011 0.000 1.029 396 T CA 0.889 62.997 62.100 0.014 0.000 1.120 396 T CB -0.338 68.563 68.868 0.055 0.000 0.917 396 T HN 0.855 nan 8.240 nan 0.000 0.467 397 E N -0.579 119.610 120.200 -0.018 0.000 2.440 397 E HA 0.507 4.857 4.350 -0.001 0.000 0.263 397 E C -1.235 175.346 176.600 -0.032 0.000 0.938 397 E CA -1.277 55.103 56.400 -0.034 0.000 0.831 397 E CB 0.872 30.554 29.700 -0.031 0.000 1.456 397 E HN -0.006 nan 8.360 nan 0.000 0.427 398 c N 2.836 121.413 118.600 -0.038 0.000 2.423 398 c HA 0.241 4.811 4.570 -0.001 0.000 0.378 398 c C 1.012 175.086 174.090 -0.026 0.000 1.068 398 c CA -0.689 55.621 56.329 -0.031 0.000 1.371 398 c CB -2.706 39.783 42.510 -0.035 0.000 1.856 398 c HN 0.468 nan 8.230 nan 0.000 0.523 399 I N 1.285 121.842 120.570 -0.022 0.000 3.332 399 I HA 0.138 4.307 4.170 -0.001 0.000 0.280 399 I C 0.272 176.377 176.117 -0.021 0.000 1.285 399 I CA 0.066 61.354 61.300 -0.019 0.000 1.347 399 I CB 0.469 38.461 38.000 -0.014 0.000 1.353 399 I HN 0.344 nan 8.210 nan 0.000 0.611 400 Q N 2.300 122.089 119.800 -0.018 0.000 2.222 400 Q HA 0.200 4.539 4.340 -0.001 0.000 0.252 400 Q C -0.542 175.445 176.000 -0.021 0.000 0.926 400 Q CA -0.418 55.373 55.803 -0.020 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 2.516 122.696 120.200 -0.032 0.000 2.585 401 E HA -0.071 4.279 4.350 -0.001 0.000 0.252 401 E C -0.749 175.835 176.600 -0.026 0.000 0.981 401 E CA 0.664 57.038 56.400 -0.043 0.000 0.943 401 E CB 0.372 30.038 29.700 -0.058 0.000 0.923 401 E HN 0.587 nan 8.360 nan 0.000 0.486 402 Q N 1.844 121.636 119.800 -0.015 0.000 2.893 402 Q HA 0.490 4.830 4.340 -0.001 0.000 0.331 402 Q C -1.514 174.497 176.000 0.019 0.000 0.893 402 Q CA -0.989 54.821 55.803 0.011 0.000 0.783 402 Q CB 2.130 30.891 28.738 0.038 0.000 1.440 402 Q HN 0.607 nan 8.270 nan 0.000 0.508 403 S N -0.134 115.597 115.700 0.052 0.000 2.543 403 S HA 0.774 5.244 4.470 -0.001 0.000 0.273 403 S C -1.172 173.498 174.600 0.117 0.000 1.152 403 S CA -0.841 57.371 58.200 0.020 0.000 0.910 403 S CB 0.786 63.952 63.200 -0.056 0.000 1.105 403 S HN 0.616 nan 8.310 nan 0.000 0.465 404 F N 0.652 120.601 119.950 -0.002 0.000 2.782 404 F HA 0.951 5.477 4.527 -0.001 0.000 0.366 404 F C -0.901 174.922 175.800 0.038 0.000 1.171 404 F CA -1.224 56.793 58.000 0.029 0.000 1.064 404 F CB 0.848 39.880 39.000 0.052 0.000 1.449 404 F HN 0.700 nan 8.300 nan 0.000 0.520 405 V N -0.537 119.524 119.914 0.245 0.000 2.841 405 V HA 0.638 4.758 4.120 -0.001 0.000 0.310 405 V C -1.178 175.114 176.094 0.330 0.000 1.090 405 V CA -1.003 61.359 62.300 0.104 0.000 0.930 405 V CB 1.684 33.559 31.823 0.087 0.000 1.014 405 V HN 0.864 nan 8.190 nan 0.000 0.425 406 I N 3.825 124.533 120.570 0.230 0.000 2.428 406 I HA 0.536 4.706 4.170 -0.001 0.000 0.279 406 I C 0.372 176.599 176.117 0.183 0.000 1.040 406 I CA -0.349 61.136 61.300 0.309 0.000 1.171 406 I CB 1.025 39.244 38.000 0.364 0.000 1.312 406 I HN 0.661 nan 8.210 nan 0.000 0.470 407 R N 3.601 124.192 120.500 0.152 0.000 2.596 407 R HA 0.778 5.118 4.340 -0.001 0.000 0.267 407 R C -0.147 176.197 176.300 0.073 0.000 1.026 407 R CA -0.783 55.379 56.100 0.103 0.000 1.087 407 R CB 1.449 31.802 30.300 0.088 0.000 1.132 407 R HN 0.606 nan 8.270 nan 0.000 0.531 408 A N 2.436 125.314 122.820 0.097 0.000 2.252 408 A HA 0.312 4.632 4.320 -0.001 0.000 0.309 408 A C 0.098 177.895 177.584 0.354 0.000 1.285 408 A CA -0.650 51.469 52.037 0.137 0.000 0.900 408 A CB 0.182 19.130 19.000 -0.087 0.000 1.157 408 A HN 0.598 nan 8.150 nan 0.000 0.536 409 L N 2.340 123.694 121.223 0.217 0.000 2.667 409 L HA 0.187 4.527 4.340 -0.001 0.000 0.278 409 L C 1.413 178.318 176.870 0.058 0.000 1.217 409 L CA 1.374 56.250 54.840 0.059 0.000 0.935 409 L CB -0.216 41.725 42.059 -0.197 0.000 1.193 409 L HN 1.212 nan 8.230 nan 0.000 0.493 410 G N 2.988 111.700 108.800 -0.146 0.000 2.142 410 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.225 410 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.225 410 G C -0.397 174.020 174.900 -0.806 0.000 1.015 410 G CA -0.540 44.290 45.100 -0.450 0.000 0.716 410 G HN 0.469 nan 8.290 nan 0.000 0.508 411 F N -1.029 118.918 119.950 -0.006 0.000 2.608 411 F HA 0.530 5.056 4.527 -0.001 0.000 0.309 411 F C 1.183 176.976 175.800 -0.011 0.000 1.103 411 F CA -0.267 57.739 58.000 0.009 0.000 0.954 411 F CB 1.731 40.766 39.000 0.058 0.000 1.267 411 F HN 0.095 nan 8.300 nan 0.000 0.444 412 T N -3.546 111.101 114.554 0.154 0.000 3.129 412 T HA 0.045 4.394 4.350 -0.001 0.000 0.251 412 T C 0.031 174.780 174.700 0.082 0.000 1.117 412 T CA 0.038 62.179 62.100 0.070 0.000 1.034 412 T CB -0.529 68.352 68.868 0.022 0.000 0.968 412 T HN 0.301 nan 8.240 nan 0.000 0.526 413 D N 2.233 122.710 120.400 0.128 0.000 2.367 413 D HA 0.277 4.916 4.640 -0.001 0.000 0.255 413 D C -0.133 176.218 176.300 0.086 0.000 1.300 413 D CA -0.049 54.010 54.000 0.099 0.000 0.959 413 D CB 0.095 40.964 40.800 0.115 0.000 1.064 413 D HN 0.510 nan 8.370 nan 0.000 0.509 414 I N 1.935 122.541 120.570 0.060 0.000 2.371 414 I HA 0.078 4.248 4.170 -0.001 0.000 0.290 414 I C 0.109 176.248 176.117 0.037 0.000 1.028 414 I CA -0.643 60.686 61.300 0.048 0.000 1.345 414 I CB 1.146 39.164 38.000 0.030 0.000 1.407 414 I HN -0.048 nan 8.210 nan 0.000 0.501 415 V N 5.678 125.615 119.914 0.038 0.000 2.294 415 V HA 0.118 4.238 4.120 -0.001 0.000 0.272 415 V C 0.341 176.403 176.094 -0.053 0.000 1.027 415 V CA -0.517 61.791 62.300 0.012 0.000 0.823 415 V CB 0.882 32.735 31.823 0.051 0.000 1.030 415 V HN 0.727 nan 8.190 nan 0.000 0.457 416 T N 4.904 119.412 114.554 -0.076 0.000 2.961 416 T HA 0.152 4.502 4.350 -0.001 0.000 0.270 416 T C 0.236 174.797 174.700 -0.232 0.000 0.926 416 T CA 0.037 62.056 62.100 -0.135 0.000 1.112 416 T CB 0.061 68.873 68.868 -0.092 0.000 0.926 416 T HN 0.340 nan 8.240 nan 0.000 0.612 417 V N 5.210 124.878 119.914 -0.410 0.000 2.372 417 V HA 0.187 4.307 4.120 -0.001 0.000 0.261 417 V C 0.633 176.387 176.094 -0.568 0.000 1.055 417 V CA -0.619 61.336 62.300 -0.575 0.000 0.930 417 V CB 0.680 31.972 31.823 -0.886 0.000 1.031 417 V HN 0.768 nan 8.190 nan 0.000 0.479 418 Q N 3.861 123.451 119.800 -0.350 0.000 2.354 418 Q HA 0.520 4.860 4.340 -0.001 0.000 0.244 418 Q C -1.192 174.675 176.000 -0.223 0.000 0.969 418 Q CA -0.276 55.379 55.803 -0.247 0.000 0.885 418 Q CB 1.620 30.245 28.738 -0.190 0.000 1.241 418 Q HN 0.562 nan 8.270 nan 0.000 0.461 419 V N 5.176 125.006 119.914 -0.140 0.000 2.577 419 V HA 0.389 4.508 4.120 -0.001 0.000 0.303 419 V C -0.783 175.228 176.094 -0.138 0.000 1.042 419 V CA -0.663 61.584 62.300 -0.088 0.000 0.872 419 V CB 1.667 33.529 31.823 0.064 0.000 0.998 419 V HN 0.699 nan 8.190 nan 0.000 0.423 420 L N 6.399 127.490 121.223 -0.220 0.000 2.343 420 L HA 0.490 4.830 4.340 -0.001 0.000 0.278 420 L C -2.572 174.202 176.870 -0.162 0.000 0.996 420 L CA -1.859 52.820 54.840 -0.268 0.000 0.831 420 L CB 2.269 43.980 42.059 -0.581 0.000 1.232 420 L HN 0.385 nan 8.230 nan 0.000 0.413 421 P HA -0.052 nan 4.420 nan 0.000 0.257 421 P C -0.712 176.569 177.300 -0.032 0.000 1.227 421 P CA 0.231 63.302 63.100 -0.049 0.000 0.981 421 P CB 0.153 31.829 31.700 -0.041 0.000 1.044 422 Q N 3.541 123.341 119.800 -0.000 0.000 2.456 422 Q HA 0.333 4.672 4.340 -0.001 0.000 0.234 422 Q C -0.719 175.294 176.000 0.020 0.000 1.061 422 Q CA -0.386 55.442 55.803 0.042 0.000 0.896 422 Q CB -0.059 28.746 28.738 0.111 0.000 1.233 422 Q HN 0.599 nan 8.270 nan 0.000 0.506 423 c N 1.767 120.369 118.600 0.004 0.000 2.945 423 c HA 0.524 5.094 4.570 -0.001 0.000 0.216 423 c C -0.757 173.318 174.090 -0.025 0.000 1.319 423 c CA -0.995 55.326 56.329 -0.014 0.000 1.036 423 c CB -0.180 42.314 42.510 -0.026 0.000 1.871 423 c HN 0.552 nan 8.230 nan 0.000 0.660 424 E N 0.770 120.961 120.200 -0.015 0.000 2.336 424 E HA 0.794 5.143 4.350 -0.001 0.000 0.267 424 E C -0.478 176.107 176.600 -0.025 0.000 0.906 424 E CA 0.013 56.397 56.400 -0.027 0.000 0.781 424 E CB 2.504 32.194 29.700 -0.016 0.000 1.261 424 E HN 0.874 nan 8.360 nan 0.000 0.436 425 c N -0.011 118.565 118.600 -0.040 0.000 3.241 425 c HA 0.828 5.397 4.570 -0.001 0.000 0.312 425 c C -0.674 173.403 174.090 -0.023 0.000 1.350 425 c CA -0.940 55.370 56.329 -0.032 0.000 1.415 425 c CB 1.821 44.300 42.510 -0.052 0.000 1.770 425 c HN 0.783 nan 8.230 nan 0.000 0.466 426 R N 0.995 121.494 120.500 -0.001 0.000 2.569 426 R HA 0.627 4.967 4.340 -0.001 0.000 0.293 426 R C -0.472 175.842 176.300 0.023 0.000 1.186 426 R CA -0.222 55.883 56.100 0.009 0.000 0.956 426 R CB 1.294 31.597 30.300 0.005 0.000 1.196 426 R HN 1.029 nan 8.270 nan 0.000 0.444 427 c N 1.934 120.554 118.600 0.033 0.000 2.726 427 c HA 0.495 5.065 4.570 -0.001 0.000 0.380 427 c C 0.666 174.779 174.090 0.038 0.000 1.691 427 c CA -0.220 56.134 56.329 0.042 0.000 2.388 427 c CB 0.323 42.872 42.510 0.064 0.000 2.227 427 c HN 0.720 nan 8.230 nan 0.000 0.647 428 R N 0.553 121.082 120.500 0.048 0.000 3.006 428 R HA 0.462 4.801 4.340 -0.001 0.000 0.261 428 R C -1.993 174.339 176.300 0.054 0.000 1.113 428 R CA -0.239 55.889 56.100 0.047 0.000 0.973 428 R CB 1.471 31.803 30.300 0.054 0.000 1.341 428 R HN 0.560 nan 8.270 nan 0.000 0.437 429 D N -1.388 119.044 120.400 0.055 0.000 2.812 429 D HA 0.005 4.645 4.640 -0.001 0.000 0.318 429 D C -0.559 175.784 176.300 0.072 0.000 1.234 429 D CA -0.618 53.411 54.000 0.049 0.000 0.989 429 D CB 0.315 41.124 40.800 0.015 0.000 1.442 429 D HN 0.512 nan 8.370 nan 0.000 0.537 430 Q N -0.453 119.382 119.800 0.058 0.000 2.222 430 Q HA 0.189 4.529 4.340 -0.001 0.000 0.206 430 Q C 0.417 176.444 176.000 0.046 0.000 0.877 430 Q CA 0.082 55.933 55.803 0.080 0.000 0.958 430 Q CB 0.026 28.816 28.738 0.086 0.000 1.075 430 Q HN 0.371 nan 8.270 nan 0.000 0.483 431 S N 0.091 115.810 115.700 0.032 0.000 2.458 431 S HA 0.055 4.525 4.470 -0.001 0.000 0.223 431 S C 0.909 175.523 174.600 0.025 0.000 1.019 431 S CA -0.126 58.087 58.200 0.022 0.000 0.937 431 S CB 0.064 63.272 63.200 0.014 0.000 0.788 431 S HN 0.282 nan 8.310 nan 0.000 0.511 432 R N 2.410 122.929 120.500 0.031 0.000 2.198 432 R HA 0.345 4.685 4.340 -0.001 0.000 0.339 432 R C -1.327 174.991 176.300 0.031 0.000 1.020 432 R CA -0.032 56.085 56.100 0.028 0.000 0.864 432 R CB -1.116 29.201 30.300 0.029 0.000 1.105 432 R HN 0.098 nan 8.270 nan 0.000 0.463 433 D N 3.594 124.008 120.400 0.023 0.000 3.293 433 D HA -0.136 4.504 4.640 -0.001 0.000 0.252 433 D C -0.199 176.113 176.300 0.020 0.000 1.073 433 D CA 0.533 54.544 54.000 0.017 0.000 0.957 433 D CB -0.392 40.416 40.800 0.012 0.000 0.987 433 D HN 0.757 nan 8.370 nan 0.000 0.422 434 R N -0.019 120.493 120.500 0.021 0.000 2.310 434 R HA 0.049 4.389 4.340 -0.001 0.000 0.202 434 R C 2.014 178.320 176.300 0.011 0.000 0.933 434 R CA 0.817 56.929 56.100 0.020 0.000 1.054 434 R CB 0.257 30.570 30.300 0.022 0.000 0.985 434 R HN 0.432 nan 8.270 nan 0.000 0.489 435 S N 0.685 116.391 115.700 0.010 0.000 2.311 435 S HA 0.012 4.481 4.470 -0.001 0.000 0.209 435 S C 1.138 175.735 174.600 -0.004 0.000 1.029 435 S CA 0.036 58.246 58.200 0.016 0.000 0.968 435 S CB -0.430 62.781 63.200 0.018 0.000 0.946 435 S HN 0.070 nan 8.310 nan 0.000 0.450 436 L N 1.191 122.392 121.223 -0.036 0.000 2.489 436 L HA 0.048 4.387 4.340 -0.001 0.000 0.285 436 L C 0.850 177.632 176.870 -0.146 0.000 1.259 436 L CA -0.071 54.702 54.840 -0.111 0.000 0.828 436 L CB -0.373 41.634 42.059 -0.086 0.000 1.094 436 L HN 0.756 nan 8.230 nan 0.000 0.524 437 c N 0.287 118.730 118.600 -0.260 0.000 4.417 437 c HA -0.181 4.388 4.570 -0.001 0.000 0.284 437 c C 1.023 175.010 174.090 -0.171 0.000 1.379 437 c CA 0.404 56.596 56.329 -0.227 0.000 1.918 437 c CB -3.376 39.047 42.510 -0.145 0.000 1.280 437 c HN 1.085 nan 8.230 nan 0.000 0.783 438 H N -1.262 117.767 119.070 -0.067 0.000 2.458 438 H HA -0.123 4.432 4.556 -0.001 0.000 0.322 438 H C 1.507 176.764 175.328 -0.118 0.000 1.038 438 H CA 1.154 57.155 56.048 -0.078 0.000 1.120 438 H CB -1.083 28.635 29.762 -0.074 0.000 1.489 438 H HN 1.483 nan 8.280 nan 0.000 0.399 439 G N -0.303 108.492 108.800 -0.008 0.000 2.377 439 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.250 439 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.250 439 G C 0.727 175.571 174.900 -0.093 0.000 1.039 439 G CA 0.603 45.682 45.100 -0.036 0.000 0.625 439 G HN 0.352 nan 8.290 nan 0.000 0.526 440 K N 1.698 121.971 120.400 -0.212 0.000 2.997 440 K HA 0.578 4.898 4.320 -0.001 0.000 0.249 440 K C 0.631 177.115 176.600 -0.193 0.000 1.284 440 K CA 0.591 56.664 56.287 -0.356 0.000 1.245 440 K CB 0.219 32.048 32.500 -1.119 0.000 1.670 440 K HN 1.300 nan 8.250 nan 0.000 0.385 441 G N 0.780 109.551 108.800 -0.048 0.000 2.340 441 G HA2 0.294 4.254 3.960 -0.001 0.000 0.298 441 G HA3 0.294 4.254 3.960 -0.001 0.000 0.298 441 G C -1.272 173.664 174.900 0.062 0.000 1.498 441 G CA -1.078 44.022 45.100 0.000 0.000 0.847 441 G HN 0.133 nan 8.290 nan 0.000 0.594 442 F N -0.845 119.099 119.950 -0.011 0.000 2.572 442 F HA 0.926 5.452 4.527 -0.001 0.000 0.342 442 F C -0.349 175.450 175.800 -0.001 0.000 1.064 442 F CA -1.603 56.392 58.000 -0.007 0.000 1.008 442 F CB 1.744 40.743 39.000 -0.002 0.000 1.303 442 F HN 0.528 nan 8.300 nan 0.000 0.492 443 L N 1.332 122.639 121.223 0.141 0.000 2.362 443 L HA 0.626 4.966 4.340 -0.001 0.000 0.271 443 L C -1.463 175.496 176.870 0.149 0.000 1.002 443 L CA -0.549 54.315 54.840 0.041 0.000 0.818 443 L CB 1.845 43.928 42.059 0.040 0.000 1.298 443 L HN 0.858 nan 8.230 nan 0.000 0.420 444 E N 3.947 124.204 120.200 0.095 0.000 2.432 444 E HA 0.290 4.639 4.350 -0.001 0.000 0.272 444 E C -0.818 175.865 176.600 0.139 0.000 0.937 444 E CA -0.415 56.065 56.400 0.133 0.000 0.812 444 E CB 0.926 30.721 29.700 0.158 0.000 1.377 444 E HN 0.735 nan 8.360 nan 0.000 0.399 445 c N 4.260 122.942 118.600 0.136 0.000 4.067 445 c HA 0.088 4.658 4.570 -0.001 0.000 0.305 445 c C 1.482 175.680 174.090 0.179 0.000 1.305 445 c CA 1.249 57.685 56.329 0.179 0.000 2.111 445 c CB -2.251 40.442 42.510 0.306 0.000 1.339 445 c HN 1.317 nan 8.230 nan 0.000 0.668 446 G N 0.646 109.506 108.800 0.101 0.000 4.315 446 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.280 446 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.280 446 G C 0.247 175.185 174.900 0.063 0.000 1.649 446 G CA 0.437 45.578 45.100 0.068 0.000 1.108 446 G HN 2.014 nan 8.290 nan 0.000 0.667 447 I N 0.464 121.094 120.570 0.099 0.000 3.245 447 I HA 0.369 4.539 4.170 -0.001 0.000 0.290 447 I C 0.384 176.496 176.117 -0.009 0.000 1.269 447 I CA -0.025 61.315 61.300 0.068 0.000 1.383 447 I CB 0.020 38.113 38.000 0.155 0.000 1.337 447 I HN 0.500 nan 8.210 nan 0.000 0.599 448 c N 3.999 122.552 118.600 -0.078 0.000 2.345 448 c HA 0.507 5.076 4.570 -0.001 0.000 0.323 448 c C 0.203 174.115 174.090 -0.298 0.000 1.276 448 c CA -0.702 55.505 56.329 -0.202 0.000 1.543 448 c CB 0.532 42.941 42.510 -0.170 0.000 2.211 448 c HN 0.721 nan 8.230 nan 0.000 0.493 449 R N 2.005 122.136 120.500 -0.616 0.000 2.205 449 R HA 0.408 4.748 4.340 -0.001 0.000 0.342 449 R C -0.179 175.768 176.300 -0.588 0.000 1.058 449 R CA -0.272 55.459 56.100 -0.615 0.000 0.904 449 R CB 0.273 30.136 30.300 -0.730 0.000 1.089 449 R HN 0.752 nan 8.270 nan 0.000 0.471 450 c N 1.715 120.188 118.600 -0.211 0.000 2.711 450 c HA 0.134 4.703 4.570 -0.001 0.000 0.306 450 c C 1.077 175.216 174.090 0.083 0.000 1.479 450 c CA -0.717 55.584 56.329 -0.047 0.000 2.271 450 c CB 0.150 42.692 42.510 0.054 0.000 2.155 450 c HN 0.685 nan 8.230 nan 0.000 0.674 451 D N 0.307 120.821 120.400 0.190 0.000 2.376 451 D HA 0.176 4.816 4.640 -0.001 0.000 0.268 451 D C 1.492 177.892 176.300 0.168 0.000 1.252 451 D CA 0.290 54.424 54.000 0.224 0.000 1.041 451 D CB -0.266 40.711 40.800 0.294 0.000 1.109 451 D HN 0.738 nan 8.370 nan 0.000 0.552 452 T N -3.002 111.631 114.554 0.131 0.000 2.821 452 T HA -0.037 4.312 4.350 -0.001 0.000 0.267 452 T C 1.725 176.441 174.700 0.028 0.000 1.046 452 T CA 1.117 63.260 62.100 0.071 0.000 1.139 452 T CB -0.589 68.310 68.868 0.052 0.000 0.871 452 T HN 0.428 nan 8.240 nan 0.000 0.454 453 G N -0.765 108.029 108.800 -0.011 0.000 2.887 453 G HA2 0.321 4.281 3.960 -0.001 0.000 0.211 453 G HA3 0.321 4.281 3.960 -0.001 0.000 0.211 453 G C -0.178 174.532 174.900 -0.317 0.000 1.152 453 G CA -0.449 44.539 45.100 -0.186 0.000 0.769 453 G HN 0.521 nan 8.290 nan 0.000 0.541 454 Y N -0.019 120.297 120.300 0.028 0.000 2.420 454 Y HA 0.665 5.215 4.550 -0.001 0.000 0.334 454 Y C 0.069 175.977 175.900 0.013 0.000 1.094 454 Y CA -1.072 57.043 58.100 0.025 0.000 1.126 454 Y CB 1.829 40.307 38.460 0.030 0.000 1.217 454 Y HN -0.174 nan 8.280 nan 0.000 0.462 455 I N 1.141 121.808 120.570 0.161 0.000 3.006 455 I HA 0.741 4.911 4.170 -0.001 0.000 0.306 455 I C 0.038 176.198 176.117 0.071 0.000 1.250 455 I CA -0.723 60.626 61.300 0.083 0.000 0.996 455 I CB 1.812 39.839 38.000 0.045 0.000 1.261 455 I HN 0.720 nan 8.210 nan 0.000 0.442 456 G N 3.581 112.402 108.800 0.034 0.000 2.362 456 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.656 456 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.656 456 G C -0.043 174.854 174.900 -0.005 0.000 1.376 456 G CA -0.201 44.911 45.100 0.021 0.000 0.971 456 G HN 0.890 nan 8.290 nan 0.000 0.636 457 K N -0.992 119.401 120.400 -0.012 0.000 2.555 457 K HA 0.113 4.432 4.320 -0.001 0.000 0.193 457 K C 0.538 177.105 176.600 -0.054 0.000 1.032 457 K CA 1.136 57.409 56.287 -0.023 0.000 1.004 457 K CB 0.141 32.632 32.500 -0.014 0.000 0.804 457 K HN 0.248 nan 8.250 nan 0.000 0.496 458 N N 0.362 119.018 118.700 -0.073 0.000 2.471 458 N HA 0.082 4.821 4.740 -0.001 0.000 0.270 458 N C -0.882 174.529 175.510 -0.165 0.000 1.490 458 N CA -0.165 52.791 53.050 -0.157 0.000 0.850 458 N CB 0.529 38.882 38.487 -0.224 0.000 1.411 458 N HN 0.169 nan 8.380 nan 0.000 0.488 459 c N 2.148 120.710 118.600 -0.063 0.000 4.185 459 c HA -0.146 4.424 4.570 -0.001 0.000 0.297 459 c C 2.020 176.170 174.090 0.101 0.000 1.463 459 c CA 1.280 57.612 56.329 0.006 0.000 2.032 459 c CB -1.660 40.806 42.510 -0.073 0.000 1.282 459 c HN 0.585 nan 8.230 nan 0.000 0.770 460 E N -1.001 119.283 120.200 0.139 0.000 2.250 460 E HA -0.007 4.342 4.350 -0.001 0.000 0.192 460 E C 0.724 177.450 176.600 0.210 0.000 0.986 460 E CA 0.820 57.395 56.400 0.292 0.000 0.849 460 E CB -0.128 29.741 29.700 0.281 0.000 0.797 460 E HN 0.731 nan 8.360 nan 0.000 0.482 461 c N 1.155 119.853 118.600 0.164 0.000 2.358 461 c HA 0.584 5.153 4.570 -0.001 0.000 0.354 461 c C 0.054 174.225 174.090 0.134 0.000 1.183 461 c CA -0.644 55.759 56.329 0.123 0.000 2.150 461 c CB 1.186 43.742 42.510 0.075 0.000 2.361 461 c HN 0.442 nan 8.230 nan 0.000 0.535 462 Q N -0.121 119.719 119.800 0.068 0.000 2.387 462 Q HA 0.366 4.706 4.340 -0.001 0.000 0.273 462 Q C 0.606 176.598 176.000 -0.013 0.000 1.089 462 Q CA -0.239 55.560 55.803 -0.006 0.000 0.824 462 Q CB 1.675 30.380 28.738 -0.055 0.000 1.367 462 Q HN 0.873 nan 8.270 nan 0.000 0.443 463 T N -0.280 114.250 114.554 -0.039 0.000 3.227 463 T HA 0.055 4.405 4.350 -0.001 0.000 0.257 463 T C 0.148 174.837 174.700 -0.019 0.000 1.162 463 T CA 0.442 62.530 62.100 -0.020 0.000 1.051 463 T CB -0.024 68.831 68.868 -0.023 0.000 0.953 463 T HN 0.524 nan 8.240 nan 0.000 0.535 464 Q N 1.035 120.820 119.800 -0.025 0.000 2.965 464 Q HA 0.536 4.876 4.340 -0.001 0.000 0.288 464 Q C -0.200 175.796 176.000 -0.006 0.000 0.974 464 Q CA -0.735 55.058 55.803 -0.016 0.000 0.849 464 Q CB 1.144 29.867 28.738 -0.026 0.000 1.280 464 Q HN 0.548 nan 8.270 nan 0.000 0.441 465 G N 2.101 110.903 108.800 0.003 0.000 2.421 465 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.360 465 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.360 465 G C -0.998 173.910 174.900 0.013 0.000 1.219 465 G CA -0.966 44.139 45.100 0.008 0.000 1.257 465 G HN 0.226 nan 8.290 nan 0.000 0.609 466 R N -0.039 120.471 120.500 0.016 0.000 2.629 466 R HA 0.825 5.165 4.340 -0.001 0.000 0.266 466 R C -0.730 175.581 176.300 0.018 0.000 1.051 466 R CA -0.386 55.725 56.100 0.018 0.000 0.895 466 R CB 2.321 32.634 30.300 0.022 0.000 1.246 466 R HN 1.562 nan 8.270 nan 0.000 0.459 467 S N -0.119 115.591 115.700 0.017 0.000 2.709 467 S HA 0.338 4.807 4.470 -0.001 0.000 0.305 467 S C -1.257 173.351 174.600 0.014 0.000 0.974 467 S CA -0.950 57.260 58.200 0.016 0.000 0.837 467 S CB 1.340 64.550 63.200 0.017 0.000 1.032 467 S HN 0.465 nan 8.310 nan 0.000 0.461 468 S N 1.355 117.064 115.700 0.014 0.000 2.745 468 S HA 0.553 5.023 4.470 -0.001 0.000 0.306 468 S C 0.811 175.419 174.600 0.012 0.000 1.137 468 S CA -0.660 57.547 58.200 0.013 0.000 0.900 468 S CB 1.783 64.990 63.200 0.013 0.000 1.176 468 S HN 0.892 nan 8.310 nan 0.000 0.520 469 Q N 0.829 120.636 119.800 0.010 0.000 1.896 469 Q HA 0.075 4.415 4.340 -0.001 0.000 0.205 469 Q C 0.812 176.819 176.000 0.011 0.000 0.978 469 Q CA 1.342 57.151 55.803 0.010 0.000 0.850 469 Q CB -0.199 28.543 28.738 0.008 0.000 0.908 469 Q HN 0.700 nan 8.270 nan 0.000 0.431 470 E N 0.320 120.526 120.200 0.010 0.000 2.437 470 E HA 0.047 4.397 4.350 -0.001 0.000 0.189 470 E C 1.697 178.303 176.600 0.011 0.000 1.054 470 E CA -0.231 56.175 56.400 0.010 0.000 0.874 470 E CB 0.248 29.952 29.700 0.008 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 0.011 0.000 2.265 471 L HA -0.142 4.197 4.340 -0.001 0.000 0.215 471 L C 1.394 178.273 176.870 0.014 0.000 1.117 471 L CA 1.097 55.943 54.840 0.010 0.000 0.782 471 L CB -0.209 41.856 42.059 0.010 0.000 0.914 471 L HN 0.117 nan 8.230 nan 0.000 0.441 472 E N -0.016 120.195 120.200 0.018 0.000 2.438 472 E HA -0.030 4.320 4.350 -0.001 0.000 0.192 472 E C 1.805 178.427 176.600 0.038 0.000 1.110 472 E CA 0.236 56.653 56.400 0.027 0.000 0.893 472 E CB 0.045 29.760 29.700 0.025 0.000 0.990 472 E HN 0.474 nan 8.360 nan 0.000 0.490 473 G N 1.119 109.938 108.800 0.033 0.000 2.496 473 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.214 473 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.214 473 G C 1.433 176.375 174.900 0.069 0.000 1.234 473 G CA 0.332 45.455 45.100 0.038 0.000 0.807 473 G HN 0.287 nan 8.290 nan 0.000 0.543 474 S N -1.020 114.719 115.700 0.066 0.000 2.701 474 S HA 0.027 4.496 4.470 -0.001 0.000 0.220 474 S C 1.637 176.310 174.600 0.121 0.000 0.954 474 S CA 0.286 58.552 58.200 0.109 0.000 0.936 474 S CB -0.689 62.533 63.200 0.036 0.000 0.777 474 S HN 0.384 nan 8.310 nan 0.000 0.518 475 c N 2.106 120.775 118.600 0.116 0.000 2.673 475 c HA 0.379 4.949 4.570 -0.001 0.000 0.264 475 c C 0.888 175.143 174.090 0.275 0.000 1.304 475 c CA -0.412 55.979 56.329 0.102 0.000 1.727 475 c CB -1.219 41.319 42.510 0.047 0.000 1.932 475 c HN 0.688 nan 8.230 nan 0.000 0.563 476 R N 0.030 120.712 120.500 0.303 0.000 2.575 476 R HA 0.399 4.739 4.340 -0.001 0.000 0.293 476 R C 0.834 177.091 176.300 -0.073 0.000 0.983 476 R CA -0.555 55.651 56.100 0.178 0.000 0.887 476 R CB 0.738 31.067 30.300 0.048 0.000 1.184 476 R HN 0.255 nan 8.270 nan 0.000 0.445 477 K N 0.912 120.887 120.400 -0.707 0.000 2.074 477 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 477 K C -0.358 176.033 176.600 -0.347 0.000 1.048 477 K CA 1.814 57.498 56.287 -1.005 0.000 0.926 477 K CB -0.337 31.588 32.500 -0.959 0.000 0.713 477 K HN 0.798 nan 8.250 nan 0.000 0.444 478 D N -1.979 118.291 120.400 -0.216 0.000 2.610 478 D HA 0.174 4.814 4.640 -0.001 0.000 0.271 478 D C -0.079 176.180 176.300 -0.068 0.000 1.174 478 D CA -0.928 53.005 54.000 -0.112 0.000 0.949 478 D CB 0.324 41.062 40.800 -0.104 0.000 1.430 478 D HN -0.199 nan 8.370 nan 0.000 0.467 479 N N -0.507 118.167 118.700 -0.043 0.000 2.289 479 N HA -0.083 4.657 4.740 -0.001 0.000 0.184 479 N C -0.027 175.467 175.510 -0.027 0.000 1.016 479 N CA 0.811 53.845 53.050 -0.027 0.000 0.872 479 N CB -0.404 38.071 38.487 -0.020 0.000 0.973 479 N HN 0.364 nan 8.380 nan 0.000 0.433 480 N N -0.468 118.211 118.700 -0.036 0.000 2.453 480 N HA 0.058 4.798 4.740 -0.001 0.000 0.270 480 N C -0.855 174.631 175.510 -0.039 0.000 1.195 480 N CA -0.017 53.014 53.050 -0.031 0.000 0.902 480 N CB 0.579 39.049 38.487 -0.028 0.000 1.186 480 N HN -0.051 nan 8.380 nan 0.000 0.510 481 S N 0.054 115.726 115.700 -0.047 0.000 2.513 481 S HA 0.489 4.958 4.470 -0.001 0.000 0.299 481 S C -0.129 174.453 174.600 -0.030 0.000 1.087 481 S CA -0.845 57.323 58.200 -0.054 0.000 1.012 481 S CB 0.986 64.125 63.200 -0.102 0.000 1.044 481 S HN 0.260 nan 8.310 nan 0.000 0.485 482 I N 4.826 125.384 120.570 -0.020 0.000 2.836 482 I HA 0.268 4.437 4.170 -0.001 0.000 0.285 482 I C -0.071 176.052 176.117 0.011 0.000 1.174 482 I CA -0.557 60.741 61.300 -0.002 0.000 1.405 482 I CB 0.431 38.432 38.000 0.002 0.000 1.385 482 I HN 0.665 nan 8.210 nan 0.000 0.594 483 I N 6.897 127.480 120.570 0.023 0.000 2.683 483 I HA -0.093 4.076 4.170 -0.001 0.000 0.286 483 I C 1.048 177.189 176.117 0.041 0.000 1.175 483 I CA -0.056 61.268 61.300 0.039 0.000 1.429 483 I CB 0.047 38.067 38.000 0.033 0.000 1.371 483 I HN 0.857 nan 8.210 nan 0.000 0.569 484 c N 4.471 123.113 118.600 0.071 0.000 4.233 484 c HA -0.227 4.343 4.570 -0.001 0.000 0.292 484 c C 1.423 175.532 174.090 0.033 0.000 1.469 484 c CA 0.675 57.033 56.329 0.048 0.000 2.013 484 c CB -3.270 39.222 42.510 -0.030 0.000 1.282 484 c HN 1.077 nan 8.230 nan 0.000 0.796 485 S N -1.584 114.142 115.700 0.043 0.000 3.521 485 S HA -0.031 4.439 4.470 -0.001 0.000 0.362 485 S C 1.083 175.686 174.600 0.005 0.000 1.044 485 S CA 1.313 59.521 58.200 0.013 0.000 1.091 485 S CB -1.567 61.640 63.200 0.012 0.000 0.908 485 S HN 2.600 nan 8.310 nan 0.000 0.473 486 G N 0.277 109.085 108.800 0.013 0.000 2.960 486 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.267 486 G HA3 -0.131 3.829 3.960 -0.001 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 -2.185 119.103 121.223 0.108 0.000 3.843 487 L HA -0.081 4.258 4.340 -0.001 0.000 0.411 487 L C 0.982 177.681 176.870 -0.284 0.000 1.205 487 L CA 1.061 55.996 54.840 0.159 0.000 0.945 487 L CB -1.896 40.203 42.059 0.067 0.000 1.929 487 L HN 2.245 nan 8.230 nan 0.000 0.934 488 G N 0.144 108.571 108.800 -0.622 0.000 2.617 488 G HA2 0.506 4.465 3.960 -0.001 0.000 0.305 488 G HA3 0.506 4.465 3.960 -0.001 0.000 0.305 488 G C -1.385 173.270 174.900 -0.409 0.000 1.436 488 G CA -0.338 44.294 45.100 -0.779 0.000 1.036 488 G HN 0.176 nan 8.290 nan 0.000 0.589 489 D N 0.247 120.465 120.400 -0.302 0.000 2.280 489 D HA 0.431 5.071 4.640 -0.001 0.000 0.236 489 D C 0.416 176.699 176.300 -0.028 0.000 1.082 489 D CA -0.682 53.312 54.000 -0.011 0.000 0.834 489 D CB 1.423 42.314 40.800 0.152 0.000 1.100 489 D HN 0.416 nan 8.370 nan 0.000 0.486 490 c N 3.063 121.656 118.600 -0.011 0.000 2.632 490 c HA 0.560 5.130 4.570 -0.001 0.000 0.415 490 c C -0.271 173.819 174.090 -0.000 0.000 1.332 490 c CA -0.062 56.259 56.329 -0.013 0.000 1.874 490 c CB -0.803 41.707 42.510 -0.000 0.000 2.596 490 c HN 0.500 nan 8.230 nan 0.000 0.590 491 V N 6.191 126.102 119.914 -0.006 0.000 2.612 491 V HA 0.350 4.470 4.120 -0.001 0.000 0.301 491 V C 0.208 176.303 176.094 0.002 0.000 1.059 491 V CA -0.624 61.679 62.300 0.004 0.000 0.886 491 V CB 1.184 33.012 31.823 0.009 0.000 1.007 491 V HN 1.158 nan 8.190 nan 0.000 0.426 492 c N 4.940 123.546 118.600 0.009 0.000 4.209 492 c HA -0.068 4.502 4.570 -0.001 0.000 0.305 492 c C 1.832 175.920 174.090 -0.002 0.000 1.339 492 c CA 1.538 57.873 56.329 0.009 0.000 2.062 492 c CB -1.906 40.614 42.510 0.017 0.000 1.307 492 c HN 2.072 nan 8.230 nan 0.000 0.706 493 G N -0.327 108.470 108.800 -0.005 0.000 2.640 493 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.226 493 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.226 493 G C 0.093 174.973 174.900 -0.034 0.000 1.222 493 G CA 1.240 46.332 45.100 -0.013 0.000 0.729 493 G HN 1.244 nan 8.290 nan 0.000 0.516 494 Q N 0.215 119.988 119.800 -0.045 0.000 2.171 494 Q HA 0.694 5.034 4.340 -0.001 0.000 0.217 494 Q C -0.184 175.772 176.000 -0.073 0.000 0.995 494 Q CA -0.419 55.335 55.803 -0.081 0.000 0.979 494 Q CB 1.241 29.936 28.738 -0.072 0.000 1.152 494 Q HN 0.410 nan 8.270 nan 0.000 0.525 495 c N 0.653 119.192 118.600 -0.101 0.000 2.435 495 c HA 0.584 5.153 4.570 -0.001 0.000 0.333 495 c C -0.745 173.295 174.090 -0.084 0.000 1.202 495 c CA -0.742 55.533 56.329 -0.090 0.000 1.830 495 c CB 1.020 43.468 42.510 -0.104 0.000 2.326 495 c HN 0.767 nan 8.230 nan 0.000 0.507 496 L N 3.389 124.560 121.223 -0.087 0.000 2.335 496 L HA 0.463 4.803 4.340 -0.001 0.000 0.268 496 L C -0.094 176.690 176.870 -0.143 0.000 1.037 496 L CA -0.032 54.763 54.840 -0.076 0.000 0.895 496 L CB -0.237 41.803 42.059 -0.031 0.000 1.266 496 L HN 0.858 nan 8.230 nan 0.000 0.439 497 c N 3.231 121.751 118.600 -0.134 0.000 2.563 497 c HA 0.045 4.615 4.570 -0.001 0.000 0.411 497 c C 1.085 175.107 174.090 -0.113 0.000 1.386 497 c CA -0.121 56.105 56.329 -0.172 0.000 1.703 497 c CB -1.344 41.120 42.510 -0.077 0.000 2.596 497 c HN 0.740 nan 8.230 nan 0.000 0.605 498 H N 0.681 119.753 119.070 0.004 0.000 2.730 498 H HA 0.384 4.940 4.556 -0.001 0.000 0.376 498 H C 0.857 176.190 175.328 0.009 0.000 1.299 498 H CA 0.472 56.523 56.048 0.005 0.000 1.447 498 H CB 0.456 30.220 29.762 0.003 0.000 1.493 498 H HN 0.766 nan 8.280 nan 0.000 0.619 499 T N -1.524 113.123 114.554 0.155 0.000 2.856 499 T HA 0.436 4.786 4.350 -0.001 0.000 0.283 499 T C -0.221 174.517 174.700 0.064 0.000 1.008 499 T CA -1.085 61.066 62.100 0.085 0.000 0.997 499 T CB 1.684 70.589 68.868 0.061 0.000 0.992 499 T HN 0.436 nan 8.240 nan 0.000 0.454 500 S N 1.534 117.264 115.700 0.051 0.000 2.519 500 S HA 0.387 4.857 4.470 -0.001 0.000 0.309 500 S C -0.385 174.232 174.600 0.028 0.000 1.100 500 S CA -0.815 57.406 58.200 0.035 0.000 1.059 500 S CB 0.555 63.776 63.200 0.034 0.000 1.008 500 S HN 0.831 nan 8.310 nan 0.000 0.478 501 D N 3.634 124.046 120.400 0.020 0.000 3.032 501 D HA 0.184 4.824 4.640 -0.001 0.000 0.241 501 D C -0.215 176.094 176.300 0.015 0.000 1.196 501 D CA -0.218 53.792 54.000 0.017 0.000 0.927 501 D CB -0.228 40.580 40.800 0.013 0.000 1.129 501 D HN 0.156 nan 8.370 nan 0.000 0.458 502 V N 0.714 120.638 119.914 0.017 0.000 2.448 502 V HA 0.341 4.461 4.120 -0.001 0.000 0.295 502 V C -2.163 173.940 176.094 0.015 0.000 1.025 502 V CA -2.122 60.186 62.300 0.014 0.000 0.859 502 V CB 1.857 33.688 31.823 0.013 0.000 0.988 502 V HN 0.060 nan 8.190 nan 0.000 0.431 503 P HA 0.116 nan 4.420 nan 0.000 0.257 503 P C 1.072 178.378 177.300 0.011 0.000 1.162 503 P CA 1.875 64.982 63.100 0.011 0.000 0.762 503 P CB 0.211 31.916 31.700 0.008 0.000 0.753 504 G N 2.538 111.345 108.800 0.012 0.000 2.579 504 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.222 504 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.222 504 G C 0.399 175.310 174.900 0.017 0.000 1.201 504 G CA 0.285 45.389 45.100 0.007 0.000 0.710 504 G HN 0.716 nan 8.290 nan 0.000 0.516 505 K N 0.716 121.129 120.400 0.021 0.000 2.530 505 K HA 0.405 4.725 4.320 -0.001 0.000 0.280 505 K C -0.518 176.111 176.600 0.049 0.000 1.004 505 K CA 0.683 56.989 56.287 0.031 0.000 1.071 505 K CB 0.238 32.754 32.500 0.026 0.000 0.876 505 K HN 1.283 nan 8.250 nan 0.000 0.487 506 L N 6.281 127.547 121.223 0.070 0.000 2.795 506 L HA 0.385 4.725 4.340 -0.001 0.000 0.260 506 L C -1.629 175.334 176.870 0.156 0.000 0.935 506 L CA -0.451 54.452 54.840 0.104 0.000 0.985 506 L CB 0.991 43.117 42.059 0.112 0.000 1.433 506 L HN 0.536 nan 8.230 nan 0.000 0.447 507 I N 4.885 125.517 120.570 0.103 0.000 2.677 507 I HA 0.571 4.741 4.170 -0.001 0.000 0.305 507 I C -0.282 175.910 176.117 0.125 0.000 0.988 507 I CA -0.221 61.099 61.300 0.034 0.000 1.260 507 I CB 1.311 39.301 38.000 -0.017 0.000 1.410 507 I HN 0.840 nan 8.210 nan 0.000 0.523 508 Y N 0.590 120.849 120.300 -0.068 0.000 2.765 508 Y HA 0.653 5.203 4.550 -0.001 0.000 0.350 508 Y C -0.527 175.337 175.900 -0.060 0.000 1.196 508 Y CA -0.936 57.102 58.100 -0.103 0.000 1.119 508 Y CB 0.826 39.169 38.460 -0.196 0.000 1.368 508 Y HN 0.974 nan 8.280 nan 0.000 0.463 509 G N 0.889 109.742 108.800 0.088 0.000 2.392 509 G HA2 0.010 3.969 3.960 -0.001 0.000 0.677 509 G HA3 0.010 3.969 3.960 -0.001 0.000 0.677 509 G C -0.423 174.446 174.900 -0.051 0.000 1.334 509 G CA -0.267 44.853 45.100 0.033 0.000 0.961 509 G HN 0.904 nan 8.290 nan 0.000 0.616 510 Q N -0.680 119.046 119.800 -0.123 0.000 2.061 510 Q HA -0.118 4.221 4.340 -0.001 0.000 0.204 510 Q C 1.324 177.025 176.000 -0.497 0.000 0.984 510 Q CA 2.306 57.869 55.803 -0.399 0.000 0.846 510 Q CB -0.035 28.283 28.738 -0.701 0.000 0.902 510 Q HN 0.688 nan 8.270 nan 0.000 0.421 511 Y N -1.934 118.344 120.300 -0.037 0.000 2.658 511 Y HA 0.267 4.817 4.550 -0.001 0.000 0.276 511 Y C 0.201 176.054 175.900 -0.078 0.000 1.167 511 Y CA -0.910 57.159 58.100 -0.051 0.000 1.230 511 Y CB 0.000 38.435 38.460 -0.041 0.000 1.144 511 Y HN 0.053 nan 8.280 nan 0.000 0.529 512 c N 2.734 121.333 118.600 -0.003 0.000 4.167 512 c HA -0.212 4.357 4.570 -0.001 0.000 0.302 512 c C 1.906 175.950 174.090 -0.077 0.000 1.384 512 c CA 1.055 57.341 56.329 -0.071 0.000 2.041 512 c CB -1.706 40.749 42.510 -0.093 0.000 1.303 512 c HN 0.749 nan 8.230 nan 0.000 0.718 513 E N -1.496 118.659 120.200 -0.076 0.000 2.201 513 E HA 0.035 4.384 4.350 -0.001 0.000 0.193 513 E C 0.716 177.206 176.600 -0.182 0.000 0.957 513 E CA 0.518 56.869 56.400 -0.083 0.000 0.858 513 E CB -0.099 29.588 29.700 -0.022 0.000 0.816 513 E HN 0.687 nan 8.360 nan 0.000 0.475 514 c N 3.083 121.468 118.600 -0.357 0.000 2.405 514 c HA 0.475 5.045 4.570 -0.001 0.000 0.365 514 c C -0.142 173.460 174.090 -0.814 0.000 1.233 514 c CA -0.492 55.505 56.329 -0.555 0.000 2.230 514 c CB 0.423 42.533 42.510 -0.667 0.000 2.443 514 c HN 0.544 nan 8.230 nan 0.000 0.556 515 D N -0.283 119.883 120.400 -0.390 0.000 2.559 515 D HA 0.429 5.069 4.640 -0.001 0.000 0.250 515 D C -0.376 176.009 176.300 0.142 0.000 1.135 515 D CA -0.495 53.438 54.000 -0.111 0.000 0.955 515 D CB 0.744 41.511 40.800 -0.056 0.000 1.442 515 D HN 0.460 nan 8.370 nan 0.000 0.471 516 T N -2.223 112.433 114.554 0.170 0.000 3.256 516 T HA 0.479 4.829 4.350 -0.001 0.000 0.249 516 T C 0.731 175.412 174.700 -0.032 0.000 0.975 516 T CA -0.392 61.721 62.100 0.021 0.000 1.011 516 T CB -1.129 67.696 68.868 -0.071 0.000 1.127 516 T HN 0.542 nan 8.240 nan 0.000 0.543 517 I N -3.709 116.857 120.570 -0.007 0.000 5.285 517 I HA 0.501 4.671 4.170 -0.001 0.000 0.351 517 I C -0.027 176.090 176.117 0.001 0.000 1.206 517 I CA -0.230 61.065 61.300 -0.008 0.000 1.527 517 I CB 0.105 38.106 38.000 0.002 0.000 1.694 517 I HN 0.110 nan 8.210 nan 0.000 0.585 518 N N 1.894 120.597 118.700 0.005 0.000 3.229 518 N HA 0.441 5.181 4.740 -0.001 0.000 0.275 518 N C -0.862 174.659 175.510 0.018 0.000 1.225 518 N CA -0.113 52.942 53.050 0.009 0.000 1.119 518 N CB 0.091 38.580 38.487 0.002 0.000 1.392 518 N HN 0.488 nan 8.380 nan 0.000 0.520 519 c N -0.341 118.272 118.600 0.023 0.000 3.459 519 c HA 0.478 5.048 4.570 -0.001 0.000 0.358 519 c C 0.338 174.452 174.090 0.040 0.000 2.992 519 c CA -0.906 55.445 56.329 0.035 0.000 1.568 519 c CB 0.849 43.383 42.510 0.039 0.000 3.388 519 c HN 0.516 nan 8.230 nan 0.000 0.515 520 E N 0.787 121.018 120.200 0.051 0.000 2.259 520 E HA 0.359 4.708 4.350 -0.001 0.000 0.281 520 E C -0.143 176.504 176.600 0.078 0.000 1.027 520 E CA -0.146 56.291 56.400 0.061 0.000 0.838 520 E CB 0.628 30.369 29.700 0.068 0.000 1.066 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.264 122.813 120.500 0.082 0.000 2.571 521 R HA 0.376 4.715 4.340 -0.001 0.000 0.259 521 R C -0.995 175.421 176.300 0.192 0.000 1.226 521 R CA -0.452 55.711 56.100 0.104 0.000 1.157 521 R CB 0.630 30.969 30.300 0.065 0.000 1.220 521 R HN 0.588 nan 8.270 nan 0.000 0.605 522 Y N 0.034 120.348 120.300 0.024 0.000 2.273 522 Y HA 0.024 4.574 4.550 -0.000 0.000 0.316 522 Y C -1.004 174.912 175.900 0.027 0.000 1.294 522 Y CA -0.711 57.407 58.100 0.030 0.000 1.198 522 Y CB 0.775 39.261 38.460 0.042 0.000 1.299 522 Y HN 0.825 nan 8.280 nan 0.000 0.413 523 N N 4.210 122.694 118.700 -0.360 0.000 2.725 523 N HA -0.167 4.573 4.740 -0.001 0.000 0.251 523 N C 0.561 176.057 175.510 -0.022 0.000 1.031 523 N CA 2.336 55.267 53.050 -0.198 0.000 0.720 523 N CB -1.106 37.319 38.487 -0.103 0.000 0.930 523 N HN 1.881 nan 8.380 nan 0.000 0.543 524 G N -0.523 108.266 108.800 -0.019 0.000 2.305 524 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.287 524 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.287 524 G C -0.294 174.628 174.900 0.037 0.000 1.036 524 G CA 0.918 46.022 45.100 0.008 0.000 0.887 524 G HN 0.744 nan 8.290 nan 0.000 0.505 525 Q N -1.535 118.308 119.800 0.071 0.000 2.379 525 Q HA 0.500 4.840 4.340 -0.001 0.000 0.278 525 Q C 0.172 176.222 176.000 0.083 0.000 1.068 525 Q CA -0.869 54.980 55.803 0.076 0.000 0.816 525 Q CB 2.925 31.720 28.738 0.095 0.000 1.387 525 Q HN 0.704 nan 8.270 nan 0.000 0.413 526 V N -1.243 118.701 119.914 0.050 0.000 2.450 526 V HA 0.041 4.161 4.120 -0.001 0.000 0.281 526 V C 0.640 176.756 176.094 0.036 0.000 1.019 526 V CA -0.392 61.929 62.300 0.036 0.000 1.062 526 V CB -0.136 31.692 31.823 0.008 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 0.051 0.000 4.252 527 c HA -0.108 4.461 4.570 -0.001 0.000 0.285 527 c C 1.642 175.741 174.090 0.015 0.000 1.466 527 c CA 1.267 57.618 56.329 0.037 0.000 1.946 527 c CB -2.132 40.383 42.510 0.009 0.000 1.366 527 c HN 2.699 nan 8.230 nan 0.000 0.783 528 G N -1.466 107.373 108.800 0.065 0.000 2.215 528 G HA2 0.442 4.401 3.960 -0.001 0.000 0.198 528 G HA3 0.442 4.401 3.960 -0.001 0.000 0.198 528 G C 0.886 175.803 174.900 0.028 0.000 1.047 528 G CA 0.494 45.617 45.100 0.039 0.000 0.747 528 G HN 2.710 nan 8.290 nan 0.000 0.495 529 G N -0.224 108.604 108.800 0.047 0.000 2.907 529 G HA2 0.069 4.028 3.960 -0.001 0.000 0.242 529 G HA3 0.069 4.028 3.960 -0.001 0.000 0.242 529 G C -0.482 174.420 174.900 0.004 0.000 1.448 529 G CA 0.306 45.421 45.100 0.025 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 1.850 179.149 177.300 -0.002 0.000 1.151 530 P CA 1.978 65.087 63.100 0.016 0.000 0.787 530 P CB -0.265 31.436 31.700 0.001 0.000 0.788 531 G N 0.912 109.670 108.800 -0.071 0.000 2.505 531 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.214 531 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.214 531 G C 1.792 176.506 174.900 -0.310 0.000 1.237 531 G CA 0.461 45.449 45.100 -0.186 0.000 0.802 531 G HN 0.165 nan 8.290 nan 0.000 0.549 532 R N 0.146 120.475 120.500 -0.285 0.000 2.082 532 R HA 0.149 4.489 4.340 -0.001 0.000 0.228 532 R C 1.600 177.753 176.300 -0.246 0.000 1.140 532 R CA 1.190 56.958 56.100 -0.553 0.000 0.920 532 R CB -0.475 29.637 30.300 -0.314 0.000 0.828 532 R HN 0.427 nan 8.270 nan 0.000 0.430 533 G N -1.175 107.584 108.800 -0.068 0.000 3.135 533 G HA2 0.638 4.597 3.960 -0.001 0.000 0.278 533 G HA3 0.638 4.597 3.960 -0.001 0.000 0.278 533 G C -1.456 173.398 174.900 -0.076 0.000 1.302 533 G CA -0.678 44.372 45.100 -0.084 0.000 0.880 533 G HN 0.032 nan 8.290 nan 0.000 0.574 534 L N -1.371 119.806 121.223 -0.075 0.000 2.403 534 L HA 0.603 4.943 4.340 -0.001 0.000 0.253 534 L C -1.007 175.847 176.870 -0.025 0.000 1.045 534 L CA -0.931 53.882 54.840 -0.046 0.000 0.845 534 L CB 2.518 44.586 42.059 0.015 0.000 1.447 534 L HN 0.695 nan 8.230 nan 0.000 0.411 535 c N 0.814 119.272 118.600 -0.236 0.000 2.351 535 c HA 0.740 5.310 4.570 -0.001 0.000 0.326 535 c C -1.109 172.673 174.090 -0.513 0.000 1.272 535 c CA -0.515 55.694 56.329 -0.199 0.000 1.650 535 c CB -0.131 42.297 42.510 -0.138 0.000 2.257 535 c HN 0.524 nan 8.230 nan 0.000 0.505 536 F N 4.740 124.764 119.950 0.122 0.000 3.164 536 F HA 0.332 4.859 4.527 -0.001 0.000 0.375 536 F C 0.534 176.455 175.800 0.202 0.000 1.257 536 F CA -0.471 57.655 58.000 0.210 0.000 1.171 536 F CB 0.889 39.986 39.000 0.162 0.000 1.588 536 F HN 0.943 nan 8.300 nan 0.000 0.604 537 c N 3.084 121.875 118.600 0.319 0.000 4.067 537 c HA 0.047 4.617 4.570 -0.001 0.000 0.305 537 c C 1.534 175.696 174.090 0.120 0.000 1.305 537 c CA 1.347 57.775 56.329 0.166 0.000 2.111 537 c CB -1.739 40.882 42.510 0.186 0.000 1.339 537 c HN 1.877 nan 8.230 nan 0.000 0.668 538 G N 0.878 109.733 108.800 0.092 0.000 2.900 538 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.223 538 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.223 538 G C 0.223 175.173 174.900 0.083 0.000 1.293 538 G CA 0.656 45.798 45.100 0.069 0.000 0.792 538 G HN 0.876 nan 8.290 nan 0.000 0.527 539 K N 0.597 121.062 120.400 0.108 0.000 2.237 539 K HA 0.511 4.830 4.320 -0.001 0.000 0.270 539 K C -0.248 176.431 176.600 0.133 0.000 1.015 539 K CA -0.166 56.184 56.287 0.106 0.000 0.949 539 K CB 1.192 33.752 32.500 0.101 0.000 0.976 539 K HN 0.300 nan 8.250 nan 0.000 0.472 540 c N 2.464 121.126 118.600 0.102 0.000 2.307 540 c HA 0.302 4.871 4.570 -0.001 0.000 0.340 540 c C 0.434 174.581 174.090 0.096 0.000 1.275 540 c CA -0.820 55.569 56.329 0.101 0.000 1.811 540 c CB -0.292 42.253 42.510 0.059 0.000 2.372 540 c HN 0.709 nan 8.230 nan 0.000 0.531 541 R N 2.236 122.815 120.500 0.132 0.000 2.593 541 R HA 0.257 4.597 4.340 -0.001 0.000 0.282 541 R C -0.449 175.834 176.300 -0.029 0.000 1.300 541 R CA -0.277 55.854 56.100 0.051 0.000 1.221 541 R CB 0.147 30.462 30.300 0.026 0.000 1.157 541 R HN 0.744 nan 8.270 nan 0.000 0.555 542 c N 2.181 120.772 118.600 -0.015 0.000 2.662 542 c HA 0.048 4.617 4.570 -0.001 0.000 0.420 542 c C 1.158 175.218 174.090 -0.049 0.000 1.314 542 c CA -0.390 55.922 56.329 -0.028 0.000 1.963 542 c CB -0.678 41.877 42.510 0.075 0.000 2.686 542 c HN 0.686 nan 8.230 nan 0.000 0.609 543 H N 2.448 121.466 119.070 -0.087 0.000 2.935 543 H HA 0.125 4.680 4.556 -0.001 0.000 0.376 543 H C -1.936 173.446 175.328 0.089 0.000 1.307 543 H CA 0.301 56.306 56.048 -0.072 0.000 1.442 543 H CB -0.161 29.459 29.762 -0.237 0.000 1.427 543 H HN 0.466 nan 8.280 nan 0.000 0.615 544 P HA 0.008 nan 4.420 nan 0.000 0.265 544 P C 0.606 178.124 177.300 0.363 0.000 1.193 544 P CA 1.337 64.569 63.100 0.220 0.000 0.765 544 P CB 0.544 32.330 31.700 0.143 0.000 0.823 545 G N 0.864 109.797 108.800 0.222 0.000 2.157 545 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.248 545 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.248 545 G C -0.325 174.480 174.900 -0.158 0.000 0.979 545 G CA -0.469 44.663 45.100 0.052 0.000 0.650 545 G HN 0.389 nan 8.290 nan 0.000 0.529 546 F N 1.137 121.092 119.950 0.009 0.000 2.539 546 F HA 0.616 5.143 4.527 -0.001 0.000 0.318 546 F C 0.177 175.970 175.800 -0.012 0.000 1.135 546 F CA -0.950 57.044 58.000 -0.009 0.000 0.915 546 F CB 1.725 40.720 39.000 -0.008 0.000 1.176 546 F HN 0.375 nan 8.300 nan 0.000 0.440 547 E N 1.241 121.506 120.200 0.107 0.000 2.404 547 E HA 0.921 5.271 4.350 -0.001 0.000 0.264 547 E C -0.282 176.350 176.600 0.053 0.000 0.946 547 E CA -1.434 55.006 56.400 0.068 0.000 0.806 547 E CB 2.597 32.318 29.700 0.035 0.000 1.334 547 E HN 0.891 nan 8.360 nan 0.000 0.429 548 G N -0.281 108.545 108.800 0.044 0.000 2.423 548 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.684 548 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.684 548 G C 0.263 175.192 174.900 0.048 0.000 1.309 548 G CA -0.190 44.937 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 0.055 0.000 2.370 549 S HA 0.140 4.609 4.470 -0.001 0.000 0.226 549 S C 1.837 176.474 174.600 0.061 0.000 1.033 549 S CA 2.448 60.683 58.200 0.058 0.000 1.011 549 S CB -0.055 63.182 63.200 0.063 0.000 0.852 549 S HN 2.022 nan 8.310 nan 0.000 0.457 550 A N -0.806 122.054 122.820 0.067 0.000 2.806 550 A HA 0.526 4.846 4.320 -0.001 0.000 0.266 550 A C 0.622 178.194 177.584 -0.019 0.000 0.926 550 A CA -0.353 51.718 52.037 0.058 0.000 1.068 550 A CB -0.789 18.279 19.000 0.113 0.000 1.189 550 A HN 0.538 nan 8.150 nan 0.000 0.481 551 c N -0.206 118.377 118.600 -0.028 0.000 4.331 551 c HA -0.299 4.271 4.570 -0.001 0.000 0.293 551 c C 2.300 176.234 174.090 -0.260 0.000 1.436 551 c CA 1.360 57.637 56.329 -0.086 0.000 1.993 551 c CB -3.125 39.311 42.510 -0.122 0.000 1.266 551 c HN 0.889 nan 8.230 nan 0.000 0.795 552 Q N -0.422 119.340 119.800 -0.063 0.000 2.020 552 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 552 Q C 1.528 177.615 176.000 0.145 0.000 0.982 552 Q CA 1.879 57.776 55.803 0.157 0.000 0.838 552 Q CB -0.362 28.527 28.738 0.252 0.000 0.899 552 Q HN 0.755 nan 8.270 nan 0.000 0.423 553 c N 2.802 121.444 118.600 0.070 0.000 2.896 553 c HA 0.115 4.685 4.570 -0.001 0.000 0.499 553 c C 1.626 175.710 174.090 -0.010 0.000 1.022 553 c CA -0.465 55.891 56.329 0.044 0.000 1.127 553 c CB -1.772 40.756 42.510 0.029 0.000 1.452 553 c HN 0.621 nan 8.230 nan 0.000 0.580 554 E N 2.021 122.209 120.200 -0.020 0.000 2.086 554 E HA -0.169 4.181 4.350 -0.001 0.000 0.200 554 E C 0.684 177.121 176.600 -0.273 0.000 1.012 554 E CA 1.290 57.678 56.400 -0.019 0.000 0.812 554 E CB 0.222 29.943 29.700 0.036 0.000 0.743 554 E HN 0.701 nan 8.360 nan 0.000 0.453 555 R N -0.554 119.770 120.500 -0.293 0.000 2.514 555 R HA 0.165 4.505 4.340 -0.001 0.000 0.301 555 R C 0.398 176.547 176.300 -0.252 0.000 0.962 555 R CA -0.101 55.729 56.100 -0.450 0.000 0.882 555 R CB 1.591 31.686 30.300 -0.342 0.000 1.143 555 R HN -0.078 nan 8.270 nan 0.000 0.452 556 T N 0.924 115.327 114.554 -0.252 0.000 3.129 556 T HA -0.031 4.318 4.350 -0.001 0.000 0.251 556 T C 1.030 175.666 174.700 -0.107 0.000 1.117 556 T CA 0.654 62.675 62.100 -0.132 0.000 1.034 556 T CB -0.033 68.778 68.868 -0.095 0.000 0.968 556 T HN 0.792 nan 8.240 nan 0.000 0.526 557 T N -0.150 114.324 114.554 -0.133 0.000 2.773 557 T HA 0.277 4.627 4.350 -0.001 0.000 0.337 557 T C -0.031 174.629 174.700 -0.067 0.000 1.086 557 T CA -0.385 61.659 62.100 -0.093 0.000 0.998 557 T CB 0.440 69.247 68.868 -0.101 0.000 1.281 557 T HN 0.274 nan 8.240 nan 0.000 0.525 558 E N -0.591 119.578 120.200 -0.051 0.000 2.761 558 E HA 0.340 4.689 4.350 -0.001 0.000 0.266 558 E C 0.561 177.142 176.600 -0.032 0.000 1.097 558 E CA -0.558 55.819 56.400 -0.037 0.000 0.773 558 E CB 0.732 30.415 29.700 -0.029 0.000 1.453 558 E HN 0.881 nan 8.360 nan 0.000 0.388 559 G N 0.345 109.126 108.800 -0.031 0.000 2.848 559 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.208 559 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.208 559 G C 1.124 176.014 174.900 -0.017 0.000 1.152 559 G CA 0.161 45.247 45.100 -0.024 0.000 0.789 559 G HN 0.513 nan 8.290 nan 0.000 0.531 560 c N 0.406 118.996 118.600 -0.016 0.000 2.491 560 c HA 0.282 4.852 4.570 -0.001 0.000 0.277 560 c C 1.251 175.333 174.090 -0.013 0.000 1.455 560 c CA -0.791 55.531 56.329 -0.012 0.000 1.758 560 c CB -1.407 41.096 42.510 -0.011 0.000 1.745 560 c HN 0.270 nan 8.230 nan 0.000 0.558 561 L N 3.065 124.278 121.223 -0.016 0.000 2.349 561 L HA 0.249 4.588 4.340 -0.001 0.000 0.275 561 L C 0.355 177.216 176.870 -0.015 0.000 1.115 561 L CA -0.123 54.707 54.840 -0.016 0.000 0.820 561 L CB 0.499 42.547 42.059 -0.017 0.000 1.135 561 L HN 0.399 nan 8.230 nan 0.000 0.445 562 N N 3.605 122.297 118.700 -0.014 0.000 2.495 562 N HA 0.376 5.116 4.740 -0.001 0.000 0.294 562 N C -2.234 173.269 175.510 -0.013 0.000 1.276 562 N CA -1.992 51.050 53.050 -0.012 0.000 0.973 562 N CB -0.544 37.937 38.487 -0.011 0.000 1.143 562 N HN 0.115 nan 8.380 nan 0.000 0.589 563 P HA -0.016 nan 4.420 nan 0.000 0.220 563 P C 0.976 178.270 177.300 -0.010 0.000 1.148 563 P CA 1.157 64.250 63.100 -0.012 0.000 0.803 563 P CB 0.175 31.869 31.700 -0.012 0.000 0.782 564 R N -0.658 119.836 120.500 -0.011 0.000 2.241 564 R HA 0.010 4.349 4.340 -0.001 0.000 0.224 564 R C 0.499 176.793 176.300 -0.011 0.000 1.101 564 R CA 0.514 56.607 56.100 -0.011 0.000 0.995 564 R CB -0.715 29.577 30.300 -0.014 0.000 0.870 564 R HN 0.109 nan 8.270 nan 0.000 0.463 565 R N -0.533 119.960 120.500 -0.012 0.000 3.531 565 R HA -0.124 4.215 4.340 -0.001 0.000 0.280 565 R C -0.519 175.773 176.300 -0.013 0.000 1.130 565 R CA 0.591 56.684 56.100 -0.011 0.000 0.757 565 R CB -2.717 27.578 30.300 -0.008 0.000 1.218 565 R HN 0.208 nan 8.270 nan 0.000 0.454 566 V N 0.393 120.297 119.914 -0.017 0.000 2.487 566 V HA 0.280 4.400 4.120 -0.001 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 -0.021 0.000 0.860 566 V CB 1.748 33.555 31.823 -0.026 0.000 0.991 566 V HN 0.279 nan 8.190 nan 0.000 0.427 567 E N 4.439 124.625 120.200 -0.023 0.000 2.493 567 E HA 0.109 4.459 4.350 -0.001 0.000 0.255 567 E C 0.642 177.225 176.600 -0.029 0.000 0.999 567 E CA 0.462 56.848 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 -0.272 4.297 4.570 -0.001 0.000 0.297 568 c C 1.573 175.633 174.090 -0.049 0.000 1.446 568 c CA 0.545 56.858 56.329 -0.026 0.000 2.016 568 c CB -3.232 39.264 42.510 -0.022 0.000 1.273 568 c HN 1.064 nan 8.230 nan 0.000 0.782 569 S N -0.799 114.872 115.700 -0.049 0.000 4.149 569 S HA -0.387 4.083 4.470 -0.001 0.000 0.539 569 S C 1.719 176.253 174.600 -0.111 0.000 1.811 569 S CA 2.296 60.455 58.200 -0.069 0.000 4.174 569 S CB -1.519 61.645 63.200 -0.059 0.000 0.756 569 S HN 1.562 nan 8.310 nan 0.000 0.470 570 G N 1.947 110.637 108.800 -0.184 0.000 2.556 570 G HA2 0.140 4.100 3.960 -0.001 0.000 0.215 570 G HA3 0.140 4.100 3.960 -0.001 0.000 0.215 570 G C 0.421 175.192 174.900 -0.215 0.000 1.258 570 G CA 1.002 45.947 45.100 -0.259 0.000 0.811 570 G HN 0.506 nan 8.290 nan 0.000 0.557 571 R N -0.890 119.472 120.500 -0.230 0.000 2.771 571 R HA 0.600 4.940 4.340 -0.001 0.000 0.274 571 R C -0.691 175.576 176.300 -0.054 0.000 0.987 571 R CA 0.095 56.122 56.100 -0.122 0.000 0.908 571 R CB 1.551 31.792 30.300 -0.098 0.000 1.213 571 R HN 0.874 nan 8.270 nan 0.000 0.468 572 G N 2.066 110.858 108.800 -0.014 0.000 2.952 572 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.431 572 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.431 572 G C -0.734 174.166 174.900 0.001 0.000 1.325 572 G CA -0.904 44.201 45.100 0.009 0.000 1.146 572 G HN 0.565 nan 8.290 nan 0.000 0.581 573 R N 0.829 121.335 120.500 0.010 0.000 2.756 573 R HA 0.366 4.706 4.340 -0.001 0.000 0.264 573 R C 0.434 176.737 176.300 0.004 0.000 1.026 573 R CA 0.280 56.383 56.100 0.005 0.000 1.121 573 R CB 0.531 30.838 30.300 0.011 0.000 0.999 573 R HN 0.793 nan 8.270 nan 0.000 0.449 574 c N 5.824 124.423 118.600 -0.001 0.000 2.125 574 c HA 0.402 4.972 4.570 -0.001 0.000 0.355 574 c C -0.291 173.799 174.090 -0.001 0.000 1.047 574 c CA -0.594 55.733 56.329 -0.003 0.000 1.501 574 c CB -1.249 41.255 42.510 -0.009 0.000 1.783 574 c HN 0.717 nan 8.230 nan 0.000 0.455 575 R N 3.754 124.258 120.500 0.006 0.000 2.215 575 R HA 0.397 4.737 4.340 -0.001 0.000 0.336 575 R C 0.411 176.719 176.300 0.013 0.000 0.996 575 R CA -0.264 55.843 56.100 0.011 0.000 0.847 575 R CB 0.520 30.831 30.300 0.019 0.000 1.127 575 R HN 0.842 nan 8.270 nan 0.000 0.465 576 c N 3.081 121.684 118.600 0.005 0.000 4.424 576 c HA -0.129 4.440 4.570 -0.001 0.000 0.304 576 c C 0.176 174.270 174.090 0.006 0.000 1.344 576 c CA 0.063 56.397 56.329 0.008 0.000 2.033 576 c CB -2.475 40.060 42.510 0.042 0.000 1.264 576 c HN 1.099 nan 8.230 nan 0.000 0.750 577 N N -2.322 116.373 118.700 -0.009 0.000 2.725 577 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 577 N C -0.486 175.027 175.510 0.003 0.000 1.103 577 N CA 1.389 54.434 53.050 -0.009 0.000 0.707 577 N CB -0.791 37.688 38.487 -0.013 0.000 1.043 577 N HN 0.850 nan 8.380 nan 0.000 0.553 578 V N -1.039 118.880 119.914 0.008 0.000 3.078 578 V HA 0.572 4.692 4.120 -0.001 0.000 0.311 578 V C 0.187 176.288 176.094 0.011 0.000 1.138 578 V CA -0.850 61.458 62.300 0.013 0.000 1.007 578 V CB 2.708 34.543 31.823 0.020 0.000 1.045 578 V HN 0.199 nan 8.190 nan 0.000 0.432 579 c N 1.277 119.885 118.600 0.014 0.000 2.411 579 c HA 0.529 5.099 4.570 -0.001 0.000 0.330 579 c C 0.501 174.605 174.090 0.023 0.000 1.224 579 c CA -0.601 55.737 56.329 0.014 0.000 1.770 579 c CB 1.006 43.523 42.510 0.012 0.000 2.297 579 c HN 0.995 nan 8.230 nan 0.000 0.507 580 E N 1.168 121.382 120.200 0.025 0.000 2.360 580 E HA 0.229 4.579 4.350 -0.001 0.000 0.253 580 E C -0.508 176.121 176.600 0.047 0.000 1.189 580 E CA -0.323 56.097 56.400 0.033 0.000 1.252 580 E CB 0.047 29.766 29.700 0.032 0.000 1.408 580 E HN 0.798 nan 8.360 nan 0.000 0.464 581 c N 3.346 121.979 118.600 0.055 0.000 2.523 581 c HA -0.037 4.533 4.570 -0.001 0.000 0.406 581 c C 1.037 175.197 174.090 0.116 0.000 1.449 581 c CA -0.390 55.989 56.329 0.084 0.000 1.588 581 c CB -1.068 41.521 42.510 0.132 0.000 2.514 581 c HN 0.619 nan 8.230 nan 0.000 0.606 582 H N 2.477 121.568 119.070 0.034 0.000 2.730 582 H HA 0.142 4.698 4.556 -0.001 0.000 0.376 582 H C 1.126 176.555 175.328 0.169 0.000 1.299 582 H CA 1.815 57.902 56.048 0.064 0.000 1.447 582 H CB 0.744 30.518 29.762 0.021 0.000 1.493 582 H HN 0.952 nan 8.280 nan 0.000 0.619 583 S N 0.774 116.255 115.700 -0.366 0.000 3.144 583 S HA -0.283 4.186 4.470 -0.001 0.000 0.629 583 S C 1.452 176.075 174.600 0.039 0.000 2.962 583 S CA 1.414 59.586 58.200 -0.046 0.000 3.700 583 S CB -1.494 61.880 63.200 0.289 0.000 0.286 583 S HN 1.032 nan 8.310 nan 0.000 1.464 584 G N -0.536 108.289 108.800 0.043 0.000 2.985 584 G HA2 0.283 4.242 3.960 -0.001 0.000 0.209 584 G HA3 0.283 4.242 3.960 -0.001 0.000 0.209 584 G C 0.145 175.037 174.900 -0.013 0.000 1.165 584 G CA 0.208 45.298 45.100 -0.017 0.000 0.776 584 G HN 0.582 nan 8.290 nan 0.000 0.541 585 Y N 1.242 121.554 120.300 0.019 0.000 2.702 585 Y HA 0.093 4.643 4.550 -0.000 0.000 0.336 585 Y C 1.165 177.073 175.900 0.013 0.000 1.235 585 Y CA 0.381 58.495 58.100 0.023 0.000 1.492 585 Y CB 0.569 39.051 38.460 0.037 0.000 1.308 585 Y HN 0.094 nan 8.280 nan 0.000 0.589 586 Q N 1.663 121.547 119.800 0.140 0.000 2.486 586 Q HA 0.453 4.793 4.340 -0.001 0.000 0.274 586 Q C -0.911 175.133 176.000 0.074 0.000 1.076 586 Q CA -1.173 54.676 55.803 0.076 0.000 0.872 586 Q CB 1.938 30.694 28.738 0.031 0.000 1.383 586 Q HN 0.465 nan 8.270 nan 0.000 0.478 587 L N 1.274 122.525 121.223 0.046 0.000 2.456 587 L HA 0.214 4.554 4.340 -0.001 0.000 0.257 587 L C -1.270 175.618 176.870 0.030 0.000 1.162 587 L CA -0.762 54.099 54.840 0.036 0.000 0.808 587 L CB -0.475 41.599 42.059 0.025 0.000 1.136 587 L HN 0.543 nan 8.230 nan 0.000 0.466 588 P HA 0.133 nan 4.420 nan 0.000 0.224 588 P C 0.988 178.301 177.300 0.022 0.000 1.159 588 P CA 0.752 63.864 63.100 0.020 0.000 0.824 588 P CB 0.383 32.090 31.700 0.011 0.000 0.833 589 L N -1.170 120.067 121.223 0.023 0.000 2.728 589 L HA 0.229 4.568 4.340 -0.001 0.000 0.238 589 L C -0.336 176.547 176.870 0.022 0.000 1.143 589 L CA -0.275 54.574 54.840 0.015 0.000 0.937 589 L CB -0.475 41.588 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 4.453 4.570 -0.001 0.000 0.306 590 c C 1.546 175.706 174.090 0.116 0.000 1.131 590 c CA 0.651 57.037 56.329 0.094 0.000 2.333 590 c CB -2.066 40.454 42.510 0.018 0.000 1.414 590 c HN 0.785 nan 8.230 nan 0.000 0.576 591 Q N -0.035 119.882 119.800 0.195 0.000 2.599 591 Q HA 0.178 4.517 4.340 -0.001 0.000 0.229 591 Q C 0.242 176.421 176.000 0.299 0.000 0.800 591 Q CA 0.598 56.529 55.803 0.214 0.000 0.937 591 Q CB 0.218 29.013 28.738 0.095 0.000 1.285 591 Q HN 0.828 nan 8.270 nan 0.000 0.600 592 E N 1.192 121.483 120.200 0.153 0.000 2.105 592 E HA 0.266 4.616 4.350 -0.001 0.000 0.285 592 E C -1.015 175.530 176.600 -0.091 0.000 1.055 592 E CA -0.345 56.074 56.400 0.031 0.000 0.843 592 E CB 1.265 30.973 29.700 0.014 0.000 1.067 592 E HN 0.287 nan 8.360 nan 0.000 0.398 593 C N 7.035 126.129 119.300 -0.343 0.000 2.125 593 C HA 0.322 4.781 4.460 -0.001 0.000 0.355 593 C C -1.438 173.413 174.990 -0.232 0.000 1.047 593 C CA -2.150 56.586 59.018 -0.469 0.000 1.501 593 C CB -0.840 26.281 27.740 -1.032 0.000 1.783 593 C HN 0.632 nan 8.230 nan 0.000 0.455 594 P HA 0.019 nan 4.420 nan 0.000 0.226 594 P C 1.351 178.610 177.300 -0.069 0.000 1.146 594 P CA 1.470 64.524 63.100 -0.077 0.000 0.773 594 P CB 0.119 31.789 31.700 -0.050 0.000 0.772 595 G N -2.040 106.709 108.800 -0.086 0.000 2.762 595 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.209 595 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.209 595 G C 0.237 175.105 174.900 -0.053 0.000 1.134 595 G CA -0.073 44.992 45.100 -0.058 0.000 0.781 595 G HN 0.228 nan 8.290 nan 0.000 0.528 596 C N 2.429 121.679 119.300 -0.083 0.000 2.550 596 C HA 0.117 4.576 4.460 -0.001 0.000 0.406 596 C C 0.394 175.375 174.990 -0.016 0.000 1.366 596 C CA -0.574 58.413 59.018 -0.050 0.000 1.712 596 C CB 1.383 29.076 27.740 -0.079 0.000 2.613 596 C HN 0.397 nan 8.230 nan 0.000 0.608 597 P HA -0.042 nan 4.420 nan 0.000 0.214 597 P C 0.357 177.669 177.300 0.020 0.000 1.162 597 P CA 1.476 64.587 63.100 0.018 0.000 0.874 597 P CB 0.115 31.835 31.700 0.034 0.000 0.784 598 S N -1.219 114.502 115.700 0.035 0.000 4.177 598 S HA 0.022 4.491 4.470 -0.001 0.000 0.272 598 S C -2.683 171.939 174.600 0.038 0.000 0.839 598 S CA -0.641 57.574 58.200 0.026 0.000 0.936 598 S CB -1.754 61.451 63.200 0.008 0.000 0.564 598 S HN 0.105 nan 8.310 nan 0.000 0.714 599 P HA 0.289 nan 4.420 nan 0.000 0.264 599 P C 0.620 178.021 177.300 0.168 0.000 1.236 599 P CA -0.195 63.012 63.100 0.178 0.000 0.811 599 P CB 0.352 32.248 31.700 0.327 0.000 0.840 600 c N 2.729 121.436 118.600 0.177 0.000 2.700 600 c HA 0.199 4.768 4.570 -0.001 0.000 0.297 600 c C 1.732 176.031 174.090 0.348 0.000 1.293 600 c CA 0.605 57.073 56.329 0.232 0.000 1.756 600 c CB -0.429 42.162 42.510 0.134 0.000 2.210 600 c HN 0.658 nan 8.230 nan 0.000 0.553 601 G N 0.046 108.986 108.800 0.234 0.000 2.630 601 G HA2 0.312 4.271 3.960 -0.001 0.000 0.236 601 G HA3 0.312 4.271 3.960 -0.001 0.000 0.236 601 G C 0.464 175.419 174.900 0.091 0.000 1.248 601 G CA 0.268 45.454 45.100 0.144 0.000 0.844 601 G HN 0.627 nan 8.290 nan 0.000 0.588 602 K N -0.332 120.059 120.400 -0.016 0.000 3.572 602 K HA -0.268 4.052 4.320 -0.001 0.000 0.306 602 K C 0.876 177.302 176.600 -0.289 0.000 1.286 602 K CA 1.974 58.159 56.287 -0.169 0.000 1.010 602 K CB -1.113 31.220 32.500 -0.279 0.000 1.268 602 K HN 0.595 nan 8.250 nan 0.000 0.438 603 Y N -0.539 119.756 120.300 -0.007 0.000 2.462 603 Y HA 0.190 4.739 4.550 -0.001 0.000 0.253 603 Y C 2.054 177.906 175.900 -0.080 0.000 1.095 603 Y CA -0.188 57.876 58.100 -0.059 0.000 1.283 603 Y CB 0.395 38.805 38.460 -0.082 0.000 1.138 603 Y HN -0.011 nan 8.280 nan 0.000 0.522 604 I N -0.652 119.992 120.570 0.123 0.000 2.226 604 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 604 I C 2.523 178.665 176.117 0.042 0.000 1.100 604 I CA 1.447 62.793 61.300 0.077 0.000 1.374 604 I CB -1.255 36.813 38.000 0.113 0.000 1.057 604 I HN 0.164 nan 8.210 nan 0.000 0.413 605 S N -0.143 115.608 115.700 0.085 0.000 2.400 605 S HA -0.187 4.283 4.470 -0.001 0.000 0.232 605 S C 2.122 176.688 174.600 -0.058 0.000 1.025 605 S CA 1.692 59.976 58.200 0.140 0.000 0.993 605 S CB -0.168 63.172 63.200 0.233 0.000 0.808 605 S HN 0.531 nan 8.310 nan 0.000 0.478 606 c N 0.842 119.407 118.600 -0.059 0.000 2.634 606 c HA 0.530 5.099 4.570 -0.001 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 -1.135 41.346 42.510 -0.048 0.000 1.976 606 c HN 0.716 nan 8.230 nan 0.000 0.547 607 A N 1.822 124.555 122.820 -0.146 0.000 1.929 607 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 607 A C 2.025 179.538 177.584 -0.119 0.000 1.176 607 A CA 1.597 53.496 52.037 -0.230 0.000 0.628 607 A CB -0.500 18.207 19.000 -0.489 0.000 0.816 607 A HN 0.801 nan 8.150 nan 0.000 0.444 608 E N -1.545 118.591 120.200 -0.107 0.000 2.489 608 E HA 0.019 4.369 4.350 -0.001 0.000 0.193 608 E C 1.250 177.801 176.600 -0.081 0.000 1.057 608 E CA 0.611 56.974 56.400 -0.063 0.000 0.866 608 E CB -0.399 29.238 29.700 -0.105 0.000 0.916 608 E HN 0.435 nan 8.360 nan 0.000 0.500 609 c N 0.124 118.649 118.600 -0.126 0.000 2.926 609 c HA 0.376 4.945 4.570 -0.001 0.000 0.272 609 c C 1.580 175.625 174.090 -0.075 0.000 1.249 609 c CA -0.192 56.051 56.329 -0.144 0.000 1.691 609 c CB -0.813 41.581 42.510 -0.193 0.000 1.983 609 c HN 0.544 nan 8.230 nan 0.000 0.615 610 L N -0.033 121.163 121.223 -0.045 0.000 2.670 610 L HA 0.275 4.615 4.340 -0.001 0.000 0.177 610 L C 2.337 179.195 176.870 -0.020 0.000 1.181 610 L CA 0.294 55.115 54.840 -0.032 0.000 0.856 610 L CB -0.962 41.077 42.059 -0.034 0.000 1.205 610 L HN -0.051 nan 8.230 nan 0.000 0.506 611 K N 1.030 121.432 120.400 0.004 0.000 1.967 611 K HA -0.029 4.291 4.320 -0.001 0.000 0.212 611 K C 0.449 177.012 176.600 -0.062 0.000 1.044 611 K CA 1.394 57.666 56.287 -0.027 0.000 0.942 611 K CB -0.571 31.946 32.500 0.029 0.000 0.726 611 K HN -0.131 nan 8.250 nan 0.000 0.440 612 F N 1.584 121.486 119.950 -0.079 0.000 2.403 612 F HA 0.233 4.760 4.527 -0.000 0.000 0.320 612 F C 0.783 176.538 175.800 -0.075 0.000 1.176 612 F CA -0.217 57.746 58.000 -0.062 0.000 1.206 612 F CB 0.538 39.509 39.000 -0.047 0.000 1.235 612 F HN 0.043 nan 8.300 nan 0.000 0.565 613 E N 1.392 121.658 120.200 0.109 0.000 3.170 613 E HA 0.077 4.427 4.350 -0.001 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 0.021 0.000 1.139 613 E CB 0.701 30.397 29.700 -0.006 0.000 1.346 613 E HN 0.492 nan 8.360 nan 0.000 0.432 614 K N 0.561 120.955 120.400 -0.011 0.000 2.965 614 K HA 0.248 4.568 4.320 -0.001 0.000 0.216 614 K C 0.047 176.548 176.600 -0.165 0.000 1.164 614 K CA 0.015 56.290 56.287 -0.020 0.000 1.153 614 K CB 0.052 32.569 32.500 0.029 0.000 1.045 614 K HN 0.480 nan 8.250 nan 0.000 0.460 615 G N 3.104 111.788 108.800 -0.194 0.000 3.316 615 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.445 615 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.445 615 G C -2.705 171.823 174.900 -0.621 0.000 1.002 615 G CA -0.954 43.990 45.100 -0.259 0.000 0.818 615 G HN 0.216 nan 8.290 nan 0.000 0.404 616 P HA 0.117 nan 4.420 nan 0.000 0.259 616 P C 0.848 178.015 177.300 -0.222 0.000 1.211 616 P CA 0.266 63.165 63.100 -0.335 0.000 0.810 616 P CB 0.058 31.666 31.700 -0.153 0.000 0.815 617 F N 2.425 122.362 119.950 -0.022 0.000 2.012 617 F HA -0.035 4.492 4.527 -0.001 0.000 0.289 617 F C 2.835 178.622 175.800 -0.022 0.000 1.185 617 F CA 1.023 59.009 58.000 -0.023 0.000 1.149 617 F CB -1.375 37.607 39.000 -0.030 0.000 0.994 617 F HN 0.273 nan 8.300 nan 0.000 0.481 618 G N -0.126 108.792 108.800 0.196 0.000 2.606 618 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.221 618 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.221 618 G C 1.062 175.995 174.900 0.055 0.000 1.152 618 G CA 1.894 47.048 45.100 0.090 0.000 0.765 618 G HN 0.346 nan 8.290 nan 0.000 0.595 619 K N -2.178 118.244 120.400 0.038 0.000 2.359 619 K HA 0.268 4.587 4.320 -0.001 0.000 0.315 619 K C 0.137 176.738 176.600 0.001 0.000 1.027 619 K CA -0.544 55.753 56.287 0.018 0.000 0.806 619 K CB 0.101 32.605 32.500 0.008 0.000 3.499 619 K HN 0.113 nan 8.250 nan 0.000 1.216 620 N N -0.569 118.123 118.700 -0.013 0.000 2.992 620 N HA 0.480 5.220 4.740 -0.001 0.000 0.338 620 N C -1.091 174.393 175.510 -0.043 0.000 1.376 620 N CA -0.537 52.495 53.050 -0.031 0.000 0.778 620 N CB 1.182 39.655 38.487 -0.022 0.000 1.232 620 N HN 0.408 nan 8.380 nan 0.000 0.581 621 c N -1.788 116.784 118.600 -0.047 0.000 3.235 621 c HA 0.565 5.134 4.570 -0.001 0.000 0.351 621 c C 0.303 174.377 174.090 -0.026 0.000 1.520 621 c CA -0.151 56.151 56.329 -0.045 0.000 1.474 621 c CB 0.949 43.419 42.510 -0.067 0.000 2.019 621 c HN 0.836 nan 8.230 nan 0.000 0.446 622 S N -1.001 114.689 115.700 -0.018 0.000 3.261 622 S HA -0.226 4.243 4.470 -0.001 0.000 0.287 622 S C 0.330 174.930 174.600 -0.001 0.000 1.281 622 S CA 1.358 59.555 58.200 -0.005 0.000 1.053 622 S CB -1.635 61.561 63.200 -0.007 0.000 1.251 622 S HN 1.297 nan 8.310 nan 0.000 0.659 623 A N -0.361 122.456 122.820 -0.005 0.000 1.780 623 A HA 0.787 5.106 4.320 -0.001 0.000 0.208 623 A C 1.387 178.970 177.584 -0.002 0.000 1.761 623 A CA 0.782 52.818 52.037 -0.002 0.000 1.183 623 A CB -0.408 18.590 19.000 -0.005 0.000 1.162 623 A HN 1.235 nan 8.150 nan 0.000 0.472 624 A N -1.002 121.813 122.820 -0.009 0.000 2.415 624 A HA 0.451 4.770 4.320 -0.001 0.000 0.248 624 A C 0.283 177.857 177.584 -0.016 0.000 1.299 624 A CA 0.544 52.574 52.037 -0.013 0.000 0.899 624 A CB -0.935 18.055 19.000 -0.016 0.000 0.997 624 A HN 0.664 nan 8.150 nan 0.000 0.506 625 c N 0.240 118.839 118.600 -0.002 0.000 3.421 625 c HA 0.276 4.845 4.570 -0.001 0.000 0.194 625 c C -1.913 172.203 174.090 0.043 0.000 1.418 625 c CA -0.805 55.532 56.329 0.013 0.000 1.226 625 c CB 0.401 42.907 42.510 -0.007 0.000 1.875 625 c HN 0.457 nan 8.230 nan 0.000 0.561 626 P HA 0.032 nan 4.420 nan 0.000 0.251 626 P C 1.016 178.386 177.300 0.117 0.000 1.251 626 P CA 0.838 63.982 63.100 0.073 0.000 0.763 626 P CB -0.095 31.646 31.700 0.068 0.000 1.067 627 G N 0.881 109.771 108.800 0.150 0.000 3.197 627 G HA2 0.041 4.001 3.960 -0.001 0.000 0.257 627 G HA3 0.041 4.001 3.960 -0.001 0.000 0.257 627 G C 0.935 175.903 174.900 0.113 0.000 0.835 627 G CA -0.327 44.887 45.100 0.191 0.000 2.001 627 G HN 0.131 nan 8.290 nan 0.000 0.625 628 L N 0.014 121.288 121.223 0.085 0.000 2.129 628 L HA -0.027 4.313 4.340 -0.001 0.000 0.212 628 L C 1.634 178.533 176.870 0.049 0.000 1.087 628 L CA 1.482 56.354 54.840 0.053 0.000 0.757 628 L CB -0.260 41.824 42.059 0.041 0.000 0.896 628 L HN 0.426 nan 8.230 nan 0.000 0.434 629 Q N -0.609 119.229 119.800 0.063 0.000 2.235 629 Q HA 0.390 4.730 4.340 -0.001 0.000 0.250 629 Q C -0.824 175.216 176.000 0.066 0.000 0.909 629 Q CA -0.270 55.569 55.803 0.059 0.000 0.910 629 Q CB 1.799 30.574 28.738 0.061 0.000 1.223 629 Q HN 0.132 nan 8.270 nan 0.000 0.432 630 L N 2.126 123.386 121.223 0.061 0.000 2.669 630 L HA 0.163 4.502 4.340 -0.001 0.000 0.273 630 L C -0.560 176.367 176.870 0.095 0.000 1.441 630 L CA -0.081 54.800 54.840 0.068 0.000 0.745 630 L CB 0.909 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 -0.345 115.421 115.700 0.110 0.000 2.571 631 S HA -0.011 4.459 4.470 -0.001 0.000 0.298 631 S C 0.583 175.292 174.600 0.181 0.000 1.280 631 S CA 0.041 58.309 58.200 0.114 0.000 1.052 631 S CB 0.187 63.442 63.200 0.093 0.000 0.799 631 S HN 0.537 nan 8.310 nan 0.000 0.501 632 N N 3.451 122.237 118.700 0.142 0.000 3.091 632 N HA 0.256 4.995 4.740 -0.001 0.000 0.301 632 N C -0.793 174.775 175.510 0.097 0.000 1.325 632 N CA -0.050 53.111 53.050 0.186 0.000 1.143 632 N CB -0.696 37.860 38.487 0.114 0.000 1.450 632 N HN 0.507 nan 8.380 nan 0.000 0.542 633 N N -0.333 118.382 118.700 0.026 0.000 2.494 633 N HA 0.334 5.074 4.740 -0.001 0.000 0.270 633 N C -2.756 172.541 175.510 -0.354 0.000 1.285 633 N CA -1.286 51.678 53.050 -0.143 0.000 0.812 633 N CB 1.964 40.420 38.487 -0.052 0.000 1.557 633 N HN -0.157 nan 8.380 nan 0.000 0.487 634 P HA 0.040 nan 4.420 nan 0.000 0.231 634 P C 0.207 177.422 177.300 -0.142 0.000 1.756 634 P CA -0.160 62.740 63.100 -0.333 0.000 0.990 634 P CB -0.294 31.273 31.700 -0.221 0.000 1.973 635 V N -1.235 118.632 119.914 -0.079 0.000 3.237 635 V HA 0.353 4.473 4.120 -0.001 0.000 0.305 635 V C 0.405 176.516 176.094 0.029 0.000 1.096 635 V CA -0.054 62.249 62.300 0.006 0.000 1.130 635 V CB 0.709 32.568 31.823 0.058 0.000 1.048 635 V HN 0.177 nan 8.190 nan 0.000 0.484 636 K N 0.463 120.886 120.400 0.038 0.000 2.499 636 K HA 0.736 5.056 4.320 -0.001 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 1.648 34.160 32.500 0.018 0.000 1.545 636 K HN 1.100 nan 8.250 nan 0.000 0.402 637 G N 0.308 109.129 108.800 0.036 0.000 3.151 637 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.197 637 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.197 637 G C -0.500 174.418 174.900 0.030 0.000 1.682 637 G CA -0.585 44.534 45.100 0.033 0.000 1.205 637 G HN 0.267 nan 8.290 nan 0.000 0.510 638 R N 2.218 122.744 120.500 0.043 0.000 4.017 638 R HA 0.349 4.689 4.340 -0.001 0.000 0.272 638 R C 0.300 176.606 176.300 0.010 0.000 1.516 638 R CA 0.296 56.413 56.100 0.029 0.000 1.519 638 R CB 0.007 30.334 30.300 0.045 0.000 1.422 638 R HN 0.385 nan 8.270 nan 0.000 0.719 639 T N 0.863 115.417 114.554 -0.000 0.000 2.640 639 T HA -0.072 4.278 4.350 -0.001 0.000 0.252 639 T C 0.357 175.012 174.700 -0.075 0.000 1.038 639 T CA 0.292 62.378 62.100 -0.023 0.000 1.307 639 T CB -0.727 68.129 68.868 -0.019 0.000 1.014 639 T HN 0.430 nan 8.240 nan 0.000 0.523 640 c N 5.473 123.984 118.600 -0.148 0.000 2.358 640 c HA 0.818 5.388 4.570 -0.001 0.000 0.354 640 c C -0.172 173.648 174.090 -0.449 0.000 1.183 640 c CA -0.772 55.384 56.329 -0.288 0.000 2.150 640 c CB 0.830 43.132 42.510 -0.346 0.000 2.361 640 c HN 1.046 nan 8.230 nan 0.000 0.535 641 K N 3.648 123.825 120.400 -0.371 0.000 2.805 641 K HA 0.280 4.600 4.320 -0.001 0.000 0.276 641 K C -0.811 175.743 176.600 -0.077 0.000 1.209 641 K CA -0.120 56.007 56.287 -0.266 0.000 1.065 641 K CB 0.306 32.731 32.500 -0.124 0.000 1.363 641 K HN 0.812 nan 8.250 nan 0.000 0.546 642 E N 1.538 121.698 120.200 -0.067 0.000 2.518 642 E HA 0.489 4.839 4.350 -0.001 0.000 0.241 642 E C -0.110 176.561 176.600 0.117 0.000 0.899 642 E CA -0.779 55.677 56.400 0.094 0.000 0.888 642 E CB 1.014 30.766 29.700 0.087 0.000 1.426 642 E HN 0.443 nan 8.360 nan 0.000 0.401 643 R N 0.558 121.055 120.500 -0.005 0.000 2.606 643 R HA 0.247 4.587 4.340 -0.001 0.000 0.249 643 R C 0.247 176.499 176.300 -0.079 0.000 1.127 643 R CA -0.588 55.408 56.100 -0.174 0.000 1.133 643 R CB 0.342 30.393 30.300 -0.414 0.000 1.243 643 R HN 0.571 nan 8.270 nan 0.000 0.558 644 D N -0.975 119.343 120.400 -0.136 0.000 2.541 644 D HA 0.007 4.647 4.640 -0.001 0.000 0.276 644 D C 0.810 177.076 176.300 -0.057 0.000 1.190 644 D CA -0.342 53.609 54.000 -0.082 0.000 1.095 644 D CB -0.211 40.508 40.800 -0.135 0.000 1.173 644 D HN 0.402 nan 8.370 nan 0.000 0.604 645 S N -1.688 114.016 115.700 0.007 0.000 2.436 645 S HA -0.031 4.438 4.470 -0.001 0.000 0.228 645 S C 0.428 174.979 174.600 -0.082 0.000 1.014 645 S CA 0.390 58.588 58.200 -0.004 0.000 0.950 645 S CB -0.417 62.893 63.200 0.183 0.000 0.784 645 S HN 0.563 nan 8.310 nan 0.000 0.504 646 E N 0.257 120.409 120.200 -0.080 0.000 3.074 646 E HA 0.459 4.809 4.350 -0.001 0.000 0.287 646 E C 0.393 176.915 176.600 -0.129 0.000 1.194 646 E CA -0.127 56.214 56.400 -0.097 0.000 0.836 646 E CB 0.850 30.515 29.700 -0.058 0.000 1.468 646 E HN 0.358 nan 8.360 nan 0.000 0.383 647 G N 1.144 109.823 108.800 -0.201 0.000 4.365 647 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.214 647 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.214 647 G C 0.592 175.250 174.900 -0.402 0.000 1.450 647 G CA -0.171 44.761 45.100 -0.280 0.000 0.937 647 G HN 0.539 nan 8.290 nan 0.000 0.625 648 c N 2.590 121.054 118.600 -0.227 0.000 2.596 648 c HA 0.277 4.847 4.570 -0.001 0.000 0.414 648 c C 0.955 174.948 174.090 -0.161 0.000 1.396 648 c CA -0.308 55.941 56.329 -0.133 0.000 1.698 648 c CB -0.903 41.575 42.510 -0.055 0.000 2.572 648 c HN 0.326 nan 8.230 nan 0.000 0.604 649 W N 4.393 125.673 121.300 -0.032 0.000 2.585 649 W HA 0.329 4.989 4.660 -0.000 0.000 0.337 649 W C -0.464 176.033 176.519 -0.037 0.000 1.226 649 W CA -0.109 57.218 57.345 -0.030 0.000 1.463 649 W CB 0.270 29.716 29.460 -0.023 0.000 1.458 649 W HN 0.398 nan 8.180 nan 0.000 0.458 650 V N 4.600 124.584 119.914 0.116 0.000 2.408 650 V HA 0.323 4.443 4.120 -0.001 0.000 0.267 650 V C 0.712 176.904 176.094 0.163 0.000 1.047 650 V CA -0.633 61.721 62.300 0.089 0.000 0.937 650 V CB 0.376 32.198 31.823 -0.002 0.000 0.999 650 V HN 0.495 nan 8.190 nan 0.000 0.472 651 A N 5.986 128.888 122.820 0.137 0.000 2.302 651 A HA 0.914 5.234 4.320 -0.001 0.000 0.285 651 A C -0.723 176.958 177.584 0.161 0.000 1.105 651 A CA -0.361 51.699 52.037 0.038 0.000 0.816 651 A CB 0.591 19.624 19.000 0.056 0.000 1.067 651 A HN 1.371 nan 8.150 nan 0.000 0.489 652 Y N -1.361 118.980 120.300 0.068 0.000 2.380 652 Y HA 0.465 5.015 4.550 -0.000 0.000 0.320 652 Y C -0.077 175.868 175.900 0.075 0.000 1.272 652 Y CA -0.585 57.559 58.100 0.074 0.000 1.165 652 Y CB -0.198 38.284 38.460 0.036 0.000 1.319 652 Y HN 0.906 nan 8.280 nan 0.000 0.443 653 T N 0.690 115.396 114.554 0.253 0.000 2.732 653 T HA 0.631 4.981 4.350 -0.001 0.000 0.287 653 T C -0.882 173.961 174.700 0.239 0.000 0.993 653 T CA -0.402 61.803 62.100 0.176 0.000 0.966 653 T CB 1.531 70.489 68.868 0.149 0.000 1.047 653 T HN 1.107 nan 8.240 nan 0.000 0.527 654 L N 0.774 122.092 121.223 0.158 0.000 2.564 654 L HA 0.389 4.729 4.340 -0.001 0.000 0.259 654 L C -0.615 176.351 176.870 0.160 0.000 1.101 654 L CA -0.251 54.678 54.840 0.148 0.000 0.900 654 L CB 1.098 43.201 42.059 0.073 0.000 1.110 654 L HN 0.972 nan 8.230 nan 0.000 0.468 655 E N 3.408 123.706 120.200 0.164 0.000 2.001 655 E HA 0.189 4.539 4.350 -0.001 0.000 0.279 655 E C -0.274 176.421 176.600 0.158 0.000 1.045 655 E CA -0.256 56.226 56.400 0.137 0.000 0.833 655 E CB 0.699 30.455 29.700 0.094 0.000 1.077 655 E HN 0.680 nan 8.360 nan 0.000 0.397 656 Q N 3.159 123.056 119.800 0.162 0.000 2.492 656 Q HA 0.008 4.348 4.340 -0.001 0.000 0.238 656 Q C -0.805 175.151 176.000 -0.074 0.000 1.045 656 Q CA 0.211 55.988 55.803 -0.044 0.000 0.934 656 Q CB 0.733 29.403 28.738 -0.114 0.000 1.276 656 Q HN 0.447 nan 8.270 nan 0.000 0.521 657 Q N 2.170 121.871 119.800 -0.166 0.000 2.280 657 Q HA 0.211 4.551 4.340 -0.001 0.000 0.259 657 Q C -1.065 174.865 176.000 -0.116 0.000 0.964 657 Q CA -0.254 55.494 55.803 -0.092 0.000 0.844 657 Q CB 1.733 30.443 28.738 -0.047 0.000 1.334 657 Q HN 0.869 nan 8.270 nan 0.000 0.423 658 D N 0.969 121.316 120.400 -0.087 0.000 4.230 658 D HA -0.220 4.420 4.640 -0.001 0.000 0.138 658 D C 0.407 176.625 176.300 -0.137 0.000 0.772 658 D CA 2.060 56.004 54.000 -0.093 0.000 1.136 658 D CB -0.989 39.769 40.800 -0.071 0.000 0.547 658 D HN 0.710 nan 8.370 nan 0.000 0.537 659 G N -0.362 108.362 108.800 -0.127 0.000 2.338 659 G HA2 0.519 4.478 3.960 -0.001 0.000 0.298 659 G HA3 0.519 4.478 3.960 -0.001 0.000 0.298 659 G C 0.859 175.677 174.900 -0.136 0.000 1.140 659 G CA 0.445 45.465 45.100 -0.135 0.000 0.860 659 G HN 0.413 nan 8.290 nan 0.000 0.470 660 M N 0.987 120.501 119.600 -0.143 0.000 7.319 660 M HA -0.208 4.272 4.480 -0.001 0.000 0.191 660 M C 0.043 176.308 176.300 -0.059 0.000 0.480 660 M CA 1.465 56.715 55.300 -0.082 0.000 1.311 660 M CB -1.251 31.319 32.600 -0.050 0.000 0.421 660 M HN 0.526 nan 8.290 nan 0.000 0.563 661 D N 2.513 122.931 120.400 0.030 0.000 3.134 661 D HA 0.228 4.868 4.640 -0.001 0.000 0.248 661 D C -0.011 176.349 176.300 0.099 0.000 1.273 661 D CA 0.207 54.310 54.000 0.172 0.000 0.904 661 D CB -0.077 40.897 40.800 0.290 0.000 1.089 661 D HN 0.151 nan 8.370 nan 0.000 0.478 662 R N 1.004 121.386 120.500 -0.197 0.000 2.346 662 R HA 0.520 4.859 4.340 -0.001 0.000 0.311 662 R C -0.503 175.555 176.300 -0.403 0.000 0.983 662 R CA -0.462 55.549 56.100 -0.148 0.000 0.880 662 R CB 1.090 31.319 30.300 -0.119 0.000 1.100 662 R HN 0.116 nan 8.270 nan 0.000 0.453 663 Y N 0.697 121.024 120.300 0.045 0.000 2.715 663 Y HA 0.557 5.107 4.550 -0.001 0.000 0.331 663 Y C -0.708 175.213 175.900 0.035 0.000 1.197 663 Y CA -1.158 56.964 58.100 0.036 0.000 1.079 663 Y CB 1.663 40.138 38.460 0.025 0.000 1.298 663 Y HN 0.385 nan 8.280 nan 0.000 0.477 664 L N 2.063 123.430 121.223 0.240 0.000 2.596 664 L HA 0.677 5.016 4.340 -0.001 0.000 0.265 664 L C -2.226 174.736 176.870 0.153 0.000 0.962 664 L CA -0.176 54.753 54.840 0.150 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 4.309 124.958 120.570 0.132 0.000 2.693 665 I HA 0.506 4.676 4.170 -0.001 0.000 0.303 665 I C -1.263 174.970 176.117 0.193 0.000 1.025 665 I CA -0.611 60.772 61.300 0.138 0.000 1.086 665 I CB 1.964 39.990 38.000 0.044 0.000 1.268 665 I HN 0.580 nan 8.210 nan 0.000 0.440 666 Y N 4.528 124.886 120.300 0.096 0.000 2.402 666 Y HA 0.637 5.187 4.550 -0.001 0.000 0.325 666 Y C -1.221 174.767 175.900 0.147 0.000 1.009 666 Y CA -0.976 57.182 58.100 0.096 0.000 1.278 666 Y CB 1.122 39.631 38.460 0.082 0.000 1.105 666 Y HN 0.311 nan 8.280 nan 0.000 0.476 667 V N 5.803 125.549 119.914 -0.280 0.000 2.415 667 V HA 0.029 4.149 4.120 -0.001 0.000 0.267 667 V C 0.317 176.216 176.094 -0.326 0.000 1.042 667 V CA -0.325 61.903 62.300 -0.120 0.000 1.000 667 V CB 0.281 32.115 31.823 0.018 0.000 1.015 667 V HN 0.757 nan 8.190 nan 0.000 0.478 668 D N 4.746 125.079 120.400 -0.112 0.000 2.629 668 D HA -0.108 4.532 4.640 -0.001 0.000 0.228 668 D C 0.933 177.274 176.300 0.068 0.000 1.127 668 D CA 0.163 54.150 54.000 -0.021 0.000 0.855 668 D CB 0.730 41.623 40.800 0.156 0.000 1.180 668 D HN 0.811 nan 8.370 nan 0.000 0.484 669 E N 1.594 121.808 120.200 0.023 0.000 1.972 669 E HA 0.249 4.599 4.350 -0.001 0.000 0.292 669 E C -0.499 176.189 176.600 0.147 0.000 1.193 669 E CA -0.580 55.838 56.400 0.029 0.000 1.228 669 E CB -0.177 29.508 29.700 -0.025 0.000 1.167 669 E HN 0.167 nan 8.360 nan 0.000 0.479 670 S N 1.889 117.773 115.700 0.307 0.000 2.611 670 S HA 0.536 5.006 4.470 -0.001 0.000 0.270 670 S C -1.425 173.332 174.600 0.262 0.000 1.131 670 S CA -0.849 57.499 58.200 0.247 0.000 0.826 670 S CB 1.437 64.733 63.200 0.160 0.000 1.095 670 S HN 0.498 nan 8.310 nan 0.000 0.461 671 R N 0.394 121.002 120.500 0.179 0.000 2.781 671 R HA 0.593 4.932 4.340 -0.001 0.000 0.268 671 R C -1.547 174.837 176.300 0.140 0.000 1.047 671 R CA -0.917 55.254 56.100 0.118 0.000 0.925 671 R CB 1.725 32.067 30.300 0.069 0.000 1.246 671 R HN 0.697 nan 8.270 nan 0.000 0.456 672 E N 0.593 120.896 120.200 0.171 0.000 2.738 672 E HA 0.237 4.587 4.350 -0.001 0.000 0.347 672 E C -1.257 175.502 176.600 0.265 0.000 1.077 672 E CA -0.345 56.196 56.400 0.236 0.000 0.755 672 E CB 1.230 31.121 29.700 0.318 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 -0.001 0.000 0.325 673 c CA 0.000 56.389 56.329 0.100 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