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 3k6s_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 REcV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.006 176.000 0.010 0.000 1.003 1 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 1 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 2 E N 0.156 120.361 120.200 0.008 0.000 2.481 2 E HA 0.535 4.884 4.350 -0.001 0.000 0.301 2 E C -1.658 174.944 176.600 0.003 0.000 0.948 2 E CA -0.691 55.712 56.400 0.005 0.000 0.804 2 E CB 1.733 31.432 29.700 -0.001 0.000 1.265 2 E HN 0.278 nan 8.360 nan 0.000 0.406 3 c N 3.044 121.649 118.600 0.008 0.000 3.096 3 c HA 0.360 4.930 4.570 -0.001 0.000 0.391 3 c C -0.982 173.121 174.090 0.023 0.000 1.085 3 c CA 0.014 56.349 56.329 0.009 0.000 1.289 3 c CB 0.344 42.868 42.510 0.024 0.000 1.685 3 c HN 0.791 nan 8.230 nan 0.000 0.515 4 T N 4.997 119.555 114.554 0.006 0.000 2.799 4 T HA 0.347 4.697 4.350 -0.001 0.000 0.286 4 T C -0.218 174.517 174.700 0.058 0.000 0.973 4 T CA -0.342 61.782 62.100 0.040 0.000 1.035 4 T CB 1.087 69.974 68.868 0.030 0.000 0.932 4 T HN 0.642 nan 8.240 nan 0.000 0.469 5 K N 2.646 123.116 120.400 0.116 0.000 2.349 5 K HA 0.279 4.598 4.320 -0.001 0.000 0.289 5 K C -0.297 176.383 176.600 0.133 0.000 1.064 5 K CA -0.372 55.994 56.287 0.132 0.000 0.947 5 K CB 0.424 33.009 32.500 0.142 0.000 1.007 5 K HN 0.465 nan 8.250 nan 0.000 0.478 6 F N 2.452 122.351 119.950 -0.085 0.000 2.284 6 F HA 0.135 4.662 4.527 -0.001 0.000 0.297 6 F C 0.744 176.467 175.800 -0.129 0.000 1.215 6 F CA -0.690 57.176 58.000 -0.224 0.000 1.120 6 F CB 0.579 39.476 39.000 -0.172 0.000 1.426 6 F HN 0.289 nan 8.300 nan 0.000 0.514 7 K N 1.960 121.712 120.400 -1.080 0.000 2.405 7 K HA 0.166 4.485 4.320 -0.001 0.000 0.276 7 K C -1.477 175.090 176.600 -0.055 0.000 1.099 7 K CA 0.016 56.008 56.287 -0.491 0.000 1.120 7 K CB -0.320 31.817 32.500 -0.605 0.000 0.877 7 K HN 0.427 nan 8.250 nan 0.000 0.472 8 V N 4.543 124.468 119.914 0.017 0.000 2.294 8 V HA 0.056 4.176 4.120 -0.001 0.000 0.272 8 V C 0.755 176.896 176.094 0.078 0.000 1.027 8 V CA -0.177 62.181 62.300 0.096 0.000 0.823 8 V CB 0.929 32.863 31.823 0.185 0.000 1.030 8 V HN 0.905 nan 8.190 nan 0.000 0.457 9 S N 3.361 119.082 115.700 0.035 0.000 2.527 9 S HA 0.186 4.656 4.470 -0.001 0.000 0.227 9 S C 0.888 175.470 174.600 -0.031 0.000 1.059 9 S CA 0.594 58.804 58.200 0.017 0.000 0.919 9 S CB 0.358 63.564 63.200 0.010 0.000 0.805 9 S HN 0.867 nan 8.310 nan 0.000 0.500 10 S N -0.249 115.366 115.700 -0.142 0.000 2.806 10 S HA 0.336 4.806 4.470 -0.001 0.000 0.306 10 S C 1.291 175.385 174.600 -0.842 0.000 1.167 10 S CA -0.143 57.851 58.200 -0.344 0.000 0.847 10 S CB 0.481 63.559 63.200 -0.204 0.000 1.216 10 S HN 0.620 nan 8.310 nan 0.000 0.532 11 c N -0.040 117.866 118.600 -1.158 0.000 2.432 11 c HA 0.201 4.771 4.570 -0.001 0.000 0.280 11 c C 2.558 176.247 174.090 -0.669 0.000 1.353 11 c CA 0.965 56.335 56.329 -1.598 0.000 1.766 11 c CB -1.636 40.067 42.510 -1.344 0.000 1.924 11 c HN 0.971 nan 8.230 nan 0.000 0.509 12 R N 1.320 121.580 120.500 -0.400 0.000 2.090 12 R HA -0.035 4.305 4.340 -0.001 0.000 0.228 12 R C 2.197 178.415 176.300 -0.137 0.000 1.110 12 R CA 1.482 57.460 56.100 -0.203 0.000 0.973 12 R CB -0.334 29.888 30.300 -0.130 0.000 0.869 12 R HN 0.642 nan 8.270 nan 0.000 0.440 13 E N -0.264 119.859 120.200 -0.128 0.000 2.418 13 E HA -0.164 4.186 4.350 -0.001 0.000 0.197 13 E C 1.836 178.451 176.600 0.024 0.000 1.026 13 E CA 0.650 57.042 56.400 -0.013 0.000 0.862 13 E CB -0.000 29.722 29.700 0.037 0.000 0.799 13 E HN 0.397 nan 8.360 nan 0.000 0.518 14 c N 0.526 119.106 118.600 -0.034 0.000 2.485 14 c HA 0.023 4.592 4.570 -0.001 0.000 0.278 14 c C 2.266 176.383 174.090 0.045 0.000 1.356 14 c CA -0.049 56.331 56.329 0.084 0.000 1.747 14 c CB -0.534 42.130 42.510 0.257 0.000 2.001 14 c HN 0.290 nan 8.230 nan 0.000 0.501 15 I N 1.196 121.755 120.570 -0.018 0.000 2.439 15 I HA -0.037 4.133 4.170 -0.001 0.000 0.251 15 I C 2.145 178.237 176.117 -0.041 0.000 1.139 15 I CA 1.352 62.639 61.300 -0.021 0.000 1.438 15 I CB -1.510 36.465 38.000 -0.042 0.000 1.085 15 I HN 0.485 nan 8.210 nan 0.000 0.427 16 E N 0.370 120.536 120.200 -0.057 0.000 2.438 16 E HA 0.001 4.351 4.350 -0.001 0.000 0.192 16 E C 1.684 178.195 176.600 -0.149 0.000 1.110 16 E CA 0.034 56.371 56.400 -0.105 0.000 0.893 16 E CB 0.130 29.759 29.700 -0.119 0.000 0.990 16 E HN 0.324 nan 8.360 nan 0.000 0.490 17 S N -0.292 115.356 115.700 -0.087 0.000 2.468 17 S HA 0.215 4.685 4.470 -0.001 0.000 0.226 17 S C 0.743 175.257 174.600 -0.143 0.000 1.051 17 S CA 0.462 58.601 58.200 -0.101 0.000 0.943 17 S CB 0.923 64.123 63.200 -0.000 0.000 0.810 17 S HN 0.411 nan 8.310 nan 0.000 0.509 18 G N 0.410 109.155 108.800 -0.091 0.000 2.325 18 G HA2 0.347 4.307 3.960 -0.001 0.000 0.297 18 G HA3 0.347 4.307 3.960 -0.001 0.000 0.297 18 G C -2.949 171.924 174.900 -0.044 0.000 1.448 18 G CA -0.779 44.269 45.100 -0.086 0.000 0.838 18 G HN -0.172 nan 8.290 nan 0.000 0.579 19 P HA 0.019 nan 4.420 nan 0.000 0.215 19 P C 1.763 179.060 177.300 -0.005 0.000 1.157 19 P CA 1.875 64.966 63.100 -0.016 0.000 0.868 19 P CB 0.164 31.855 31.700 -0.014 0.000 0.788 20 G N -1.668 107.128 108.800 -0.006 0.000 3.332 20 G HA2 0.060 4.020 3.960 -0.001 0.000 0.242 20 G HA3 0.060 4.020 3.960 -0.001 0.000 0.242 20 G C -0.226 174.681 174.900 0.012 0.000 1.276 20 G CA -0.107 44.995 45.100 0.003 0.000 0.988 20 G HN 0.266 nan 8.290 nan 0.000 0.517 21 c N 1.481 120.091 118.600 0.016 0.000 2.295 21 c HA 0.723 5.293 4.570 -0.001 0.000 0.331 21 c C 0.744 174.869 174.090 0.059 0.000 1.280 21 c CA -0.658 55.694 56.329 0.038 0.000 1.746 21 c CB 0.176 42.709 42.510 0.038 0.000 2.328 21 c HN 0.519 nan 8.230 nan 0.000 0.521 22 T N 0.622 115.219 114.554 0.071 0.000 2.942 22 T HA 0.710 5.059 4.350 -0.001 0.000 0.289 22 T C -0.957 173.839 174.700 0.159 0.000 1.044 22 T CA -0.622 61.532 62.100 0.090 0.000 1.023 22 T CB 1.967 70.856 68.868 0.036 0.000 1.123 22 T HN 0.825 nan 8.240 nan 0.000 0.512 23 W N 0.698 121.964 121.300 -0.057 0.000 2.936 23 W HA 0.604 5.264 4.660 -0.001 0.000 0.338 23 W C -1.690 174.757 176.519 -0.119 0.000 1.121 23 W CA -1.440 55.858 57.345 -0.077 0.000 1.209 23 W CB 1.977 31.407 29.460 -0.051 0.000 1.420 23 W HN 0.970 nan 8.180 nan 0.000 0.516 24 c N 6.025 124.080 118.600 -0.908 0.000 2.351 24 c HA 0.306 4.875 4.570 -0.001 0.000 0.326 24 c C 1.199 174.897 174.090 -0.654 0.000 1.272 24 c CA -0.173 55.738 56.329 -0.696 0.000 1.650 24 c CB 0.880 42.850 42.510 -0.901 0.000 2.257 24 c HN 0.786 nan 8.230 nan 0.000 0.505 25 Q N 3.107 122.793 119.800 -0.190 0.000 2.378 25 Q HA 0.120 4.459 4.340 -0.001 0.000 0.216 25 Q C 0.564 176.538 176.000 -0.043 0.000 0.892 25 Q CA -0.036 55.778 55.803 0.018 0.000 0.931 25 Q CB 0.078 28.893 28.738 0.127 0.000 1.086 25 Q HN 0.707 nan 8.270 nan 0.000 0.528 26 K N 2.006 122.337 120.400 -0.116 0.000 2.437 26 K HA 0.034 4.353 4.320 -0.001 0.000 0.277 26 K C -0.419 176.185 176.600 0.006 0.000 1.073 26 K CA -0.110 56.148 56.287 -0.047 0.000 1.105 26 K CB 0.322 32.794 32.500 -0.047 0.000 0.881 26 K HN 0.192 nan 8.250 nan 0.000 0.475 27 L N 3.771 125.016 121.223 0.036 0.000 2.468 27 L HA -0.050 4.290 4.340 -0.001 0.000 0.253 27 L C 0.877 177.795 176.870 0.080 0.000 1.237 27 L CA -0.098 54.773 54.840 0.053 0.000 0.823 27 L CB 0.106 42.187 42.059 0.037 0.000 1.124 27 L HN 0.929 nan 8.230 nan 0.000 0.504 28 N N -0.461 118.276 118.700 0.061 0.000 2.713 28 N HA -0.309 4.431 4.740 -0.001 0.000 0.251 28 N C 0.299 175.844 175.510 0.059 0.000 1.117 28 N CA 1.250 54.325 53.050 0.043 0.000 0.770 28 N CB -1.481 37.022 38.487 0.026 0.000 1.137 28 N HN 0.564 nan 8.380 nan 0.000 0.566 29 F N 0.640 120.555 119.950 -0.058 0.000 2.569 29 F HA 0.121 4.647 4.527 -0.001 0.000 0.295 29 F C 0.754 176.509 175.800 -0.075 0.000 1.115 29 F CA 0.662 58.617 58.000 -0.075 0.000 1.450 29 F CB 0.446 39.380 39.000 -0.111 0.000 1.107 29 F HN -0.149 nan 8.300 nan 0.000 0.563 30 T N 1.519 116.087 114.554 0.023 0.000 2.761 30 T HA 0.421 4.770 4.350 -0.001 0.000 0.296 30 T C 0.719 175.364 174.700 -0.091 0.000 0.934 30 T CA -0.043 62.032 62.100 -0.040 0.000 1.091 30 T CB 0.767 69.641 68.868 0.010 0.000 0.896 30 T HN 0.316 nan 8.240 nan 0.000 0.515 31 G N 3.769 112.493 108.800 -0.127 0.000 2.683 31 G HA2 0.222 4.181 3.960 -0.001 0.000 0.260 31 G HA3 0.222 4.181 3.960 -0.001 0.000 0.260 31 G C -1.215 173.649 174.900 -0.060 0.000 1.238 31 G CA -1.220 43.817 45.100 -0.104 0.000 0.934 31 G HN 0.412 nan 8.290 nan 0.000 0.534 32 P HA -0.077 nan 4.420 nan 0.000 0.217 32 P C 0.983 178.269 177.300 -0.023 0.000 1.158 32 P CA 2.165 65.247 63.100 -0.029 0.000 0.887 32 P CB 0.132 31.817 31.700 -0.025 0.000 0.792 33 G N -1.210 107.575 108.800 -0.025 0.000 4.632 33 G HA2 0.180 4.139 3.960 -0.001 0.000 0.244 33 G HA3 0.180 4.139 3.960 -0.001 0.000 0.244 33 G C -1.179 173.705 174.900 -0.026 0.000 1.070 33 G CA -0.218 44.870 45.100 -0.020 0.000 0.791 33 G HN -0.048 nan 8.290 nan 0.000 0.544 34 D N 1.049 121.428 120.400 -0.036 0.000 2.272 34 D HA 0.494 5.133 4.640 -0.001 0.000 0.247 34 D C -2.252 174.024 176.300 -0.040 0.000 0.990 34 D CA -1.413 52.563 54.000 -0.041 0.000 0.931 34 D CB 2.130 42.896 40.800 -0.056 0.000 1.195 34 D HN 0.031 nan 8.370 nan 0.000 0.477 35 P HA 0.108 nan 4.420 nan 0.000 0.269 35 P C 0.245 177.539 177.300 -0.011 0.000 1.215 35 P CA -0.165 62.904 63.100 -0.053 0.000 0.780 35 P CB 0.741 32.389 31.700 -0.087 0.000 0.898 36 D N -0.268 120.137 120.400 0.009 0.000 2.323 36 D HA -0.083 4.557 4.640 -0.001 0.000 0.209 36 D C 1.508 177.844 176.300 0.060 0.000 0.973 36 D CA 1.020 55.047 54.000 0.045 0.000 0.874 36 D CB -0.207 40.644 40.800 0.085 0.000 0.930 36 D HN 0.362 nan 8.370 nan 0.000 0.521 37 S N 0.568 116.302 115.700 0.057 0.000 2.555 37 S HA -0.069 4.401 4.470 -0.001 0.000 0.230 37 S C 2.141 176.767 174.600 0.043 0.000 0.978 37 S CA 0.001 58.254 58.200 0.087 0.000 0.934 37 S CB -0.720 62.520 63.200 0.067 0.000 0.766 37 S HN 0.503 nan 8.310 nan 0.000 0.533 38 I N -0.670 119.908 120.570 0.014 0.000 2.676 38 I HA 0.025 4.195 4.170 -0.001 0.000 0.259 38 I C 2.242 178.344 176.117 -0.025 0.000 1.194 38 I CA 0.617 61.937 61.300 0.033 0.000 1.473 38 I CB -0.376 37.667 38.000 0.072 0.000 1.096 38 I HN 0.082 nan 8.210 nan 0.000 0.443 39 R N 0.514 120.884 120.500 -0.216 0.000 2.241 39 R HA -0.014 4.326 4.340 -0.001 0.000 0.224 39 R C 0.672 176.598 176.300 -0.623 0.000 1.101 39 R CA 0.698 56.403 56.100 -0.658 0.000 0.995 39 R CB -0.378 29.166 30.300 -1.260 0.000 0.870 39 R HN 0.445 nan 8.270 nan 0.000 0.463 40 c N 1.656 120.127 118.600 -0.215 0.000 2.206 40 c HA 0.328 4.898 4.570 -0.001 0.000 0.324 40 c C -0.520 173.591 174.090 0.035 0.000 1.120 40 c CA -0.763 55.593 56.329 0.047 0.000 1.546 40 c CB -0.657 42.034 42.510 0.302 0.000 2.023 40 c HN 0.295 nan 8.230 nan 0.000 0.448 41 D N 1.608 122.008 120.400 0.000 0.000 2.989 41 D HA 0.528 5.168 4.640 -0.001 0.000 0.284 41 D C -0.165 176.145 176.300 0.017 0.000 1.212 41 D CA 0.183 54.194 54.000 0.017 0.000 1.055 41 D CB 1.868 42.675 40.800 0.012 0.000 1.351 41 D HN 0.509 nan 8.370 nan 0.000 0.611 42 T N -1.665 112.899 114.554 0.015 0.000 2.922 42 T HA 0.326 4.676 4.350 -0.001 0.000 0.285 42 T C 1.205 175.906 174.700 0.003 0.000 1.005 42 T CA -0.486 61.622 62.100 0.013 0.000 1.061 42 T CB 1.664 70.541 68.868 0.015 0.000 1.007 42 T HN 0.449 nan 8.240 nan 0.000 0.502 43 R N 1.379 121.880 120.500 0.002 0.000 2.113 43 R HA -0.094 4.246 4.340 -0.001 0.000 0.244 43 R C -0.925 175.373 176.300 -0.003 0.000 1.142 43 R CA 1.804 57.901 56.100 -0.005 0.000 0.953 43 R CB -1.518 28.783 30.300 0.001 0.000 0.860 43 R HN 0.535 nan 8.270 nan 0.000 0.438 44 P HA -0.151 nan 4.420 nan 0.000 0.215 44 P C 0.953 178.261 177.300 0.013 0.000 1.157 44 P CA 1.203 64.308 63.100 0.008 0.000 0.868 44 P CB -0.096 31.610 31.700 0.010 0.000 0.788 45 Q N -0.615 119.195 119.800 0.015 0.000 2.124 45 Q HA -0.103 4.237 4.340 -0.001 0.000 0.202 45 Q C 2.307 178.328 176.000 0.035 0.000 0.977 45 Q CA 1.219 57.037 55.803 0.026 0.000 0.850 45 Q CB -1.045 27.710 28.738 0.028 0.000 0.901 45 Q HN 0.361 nan 8.270 nan 0.000 0.429 46 L N 0.044 121.274 121.223 0.012 0.000 2.046 46 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 46 L C 2.401 179.289 176.870 0.030 0.000 1.077 46 L CA 0.924 55.762 54.840 -0.003 0.000 0.747 46 L CB -0.507 41.502 42.059 -0.083 0.000 0.896 46 L HN 0.191 nan 8.230 nan 0.000 0.432 47 L N -1.027 120.206 121.223 0.017 0.000 2.141 47 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 47 L C 2.573 179.464 176.870 0.036 0.000 1.094 47 L CA 1.040 55.894 54.840 0.023 0.000 0.763 47 L CB -0.332 41.734 42.059 0.011 0.000 0.908 47 L HN 0.352 nan 8.230 nan 0.000 0.437 48 M N -0.411 119.210 119.600 0.035 0.000 2.319 48 M HA -0.142 4.337 4.480 -0.001 0.000 0.265 48 M C 2.195 178.520 176.300 0.041 0.000 1.068 48 M CA 1.514 56.833 55.300 0.032 0.000 1.118 48 M CB 0.041 32.656 32.600 0.025 0.000 1.395 48 M HN 0.102 nan 8.290 nan 0.000 0.435 49 R N -0.743 119.802 120.500 0.075 0.000 2.173 49 R HA 0.139 4.478 4.340 -0.001 0.000 0.208 49 R C 1.403 177.765 176.300 0.103 0.000 1.035 49 R CA 0.894 57.049 56.100 0.092 0.000 1.004 49 R CB 0.280 30.701 30.300 0.200 0.000 0.917 49 R HN 0.642 nan 8.270 nan 0.000 0.462 50 G N 0.202 109.086 108.800 0.140 0.000 2.421 50 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.188 50 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.188 50 G C 0.107 175.107 174.900 0.167 0.000 1.001 50 G CA -0.258 44.919 45.100 0.127 0.000 0.693 50 G HN 0.336 nan 8.290 nan 0.000 0.479 51 c N 3.194 121.934 118.600 0.234 0.000 2.517 51 c HA 0.537 5.107 4.570 -0.001 0.000 0.403 51 c C 1.733 175.815 174.090 -0.013 0.000 1.467 51 c CA 0.293 56.636 56.329 0.023 0.000 1.542 51 c CB -1.367 40.987 42.510 -0.260 0.000 2.482 51 c HN 1.493 nan 8.230 nan 0.000 0.610 52 A N 5.306 128.117 122.820 -0.014 0.000 2.492 52 A HA 0.443 4.763 4.320 -0.001 0.000 0.236 52 A C 1.345 178.913 177.584 -0.027 0.000 1.078 52 A CA 0.580 52.611 52.037 -0.011 0.000 0.773 52 A CB 0.034 19.030 19.000 -0.006 0.000 1.023 52 A HN 1.757 nan 8.150 nan 0.000 0.504 53 A N 0.607 123.419 122.820 -0.014 0.000 1.929 53 A HA -0.040 4.279 4.320 -0.001 0.000 0.216 53 A C 1.412 178.988 177.584 -0.014 0.000 1.176 53 A CA 1.726 53.755 52.037 -0.014 0.000 0.628 53 A CB -0.569 18.427 19.000 -0.006 0.000 0.816 53 A HN 0.904 nan 8.150 nan 0.000 0.444 54 D N -0.662 119.732 120.400 -0.010 0.000 2.363 54 D HA -0.036 4.604 4.640 -0.001 0.000 0.226 54 D C 0.321 176.616 176.300 -0.007 0.000 1.020 54 D CA 0.611 54.608 54.000 -0.006 0.000 0.892 54 D CB -0.241 40.557 40.800 -0.002 0.000 0.900 54 D HN 0.291 nan 8.370 nan 0.000 0.531 55 D N -0.047 120.340 120.400 -0.022 0.000 2.369 55 D HA 0.152 4.792 4.640 -0.001 0.000 0.211 55 D C 0.341 176.617 176.300 -0.040 0.000 1.077 55 D CA -0.132 53.849 54.000 -0.033 0.000 0.842 55 D CB 0.675 41.436 40.800 -0.066 0.000 0.947 55 D HN 0.336 nan 8.370 nan 0.000 0.509 56 I N 2.401 122.953 120.570 -0.030 0.000 2.260 56 I HA 0.056 4.226 4.170 -0.001 0.000 0.297 56 I C 0.305 176.441 176.117 0.032 0.000 1.143 56 I CA -0.304 60.985 61.300 -0.019 0.000 1.271 56 I CB 0.259 38.243 38.000 -0.027 0.000 1.461 56 I HN -0.331 nan 8.210 nan 0.000 0.530 57 M N 4.974 124.626 119.600 0.086 0.000 2.513 57 M HA -0.006 4.474 4.480 -0.001 0.000 0.341 57 M C 0.013 176.364 176.300 0.084 0.000 1.689 57 M CA 0.695 56.054 55.300 0.098 0.000 1.202 57 M CB -0.646 32.046 32.600 0.154 0.000 1.996 57 M HN 0.350 nan 8.290 nan 0.000 0.458 58 D N 6.449 126.877 120.400 0.047 0.000 2.441 58 D HA 0.369 5.009 4.640 -0.001 0.000 0.287 58 D C -2.393 173.921 176.300 0.024 0.000 1.198 58 D CA -1.806 52.217 54.000 0.037 0.000 0.894 58 D CB 0.965 41.781 40.800 0.025 0.000 1.070 58 D HN 0.177 nan 8.370 nan 0.000 0.499 59 P HA 0.090 nan 4.420 nan 0.000 0.258 59 P C -0.559 176.752 177.300 0.019 0.000 1.214 59 P CA 0.316 63.426 63.100 0.017 0.000 0.872 59 P CB 0.420 32.129 31.700 0.014 0.000 0.890 60 T N 1.668 116.231 114.554 0.016 0.000 2.925 60 T HA 0.351 4.701 4.350 -0.001 0.000 0.285 60 T C 0.238 174.955 174.700 0.028 0.000 1.021 60 T CA -0.533 61.579 62.100 0.019 0.000 1.042 60 T CB 0.906 69.782 68.868 0.012 0.000 1.037 60 T HN 0.056 nan 8.240 nan 0.000 0.481 61 S N 2.147 117.871 115.700 0.040 0.000 2.548 61 S HA 0.599 5.069 4.470 -0.001 0.000 0.277 61 S C -0.127 174.508 174.600 0.059 0.000 1.315 61 S CA -0.710 57.527 58.200 0.063 0.000 1.050 61 S CB -0.108 63.132 63.200 0.068 0.000 0.918 61 S HN 0.578 nan 8.310 nan 0.000 0.497 62 L N -0.336 120.930 121.223 0.072 0.000 2.669 62 L HA 1.066 5.406 4.340 -0.001 0.000 0.255 62 L C -1.001 175.920 176.870 0.085 0.000 1.123 62 L CA -1.295 53.578 54.840 0.054 0.000 0.941 62 L CB 1.058 43.111 42.059 -0.010 0.000 1.552 62 L HN 0.564 nan 8.230 nan 0.000 0.394 63 A N -0.382 122.474 122.820 0.060 0.000 2.414 63 A HA 0.745 5.064 4.320 -0.001 0.000 0.306 63 A C -1.221 176.376 177.584 0.022 0.000 1.054 63 A CA -0.341 51.731 52.037 0.059 0.000 0.724 63 A CB 1.584 20.647 19.000 0.105 0.000 1.267 63 A HN 0.764 nan 8.150 nan 0.000 0.418 64 E N 1.820 122.031 120.200 0.018 0.000 2.101 64 E HA 0.363 4.713 4.350 -0.001 0.000 0.260 64 E C -0.504 176.083 176.600 -0.022 0.000 0.897 64 E CA -0.364 56.043 56.400 0.011 0.000 0.744 64 E CB 0.592 30.340 29.700 0.080 0.000 1.140 64 E HN 0.624 nan 8.360 nan 0.000 0.419 65 T N 2.028 116.575 114.554 -0.013 0.000 3.364 65 T HA 0.209 4.559 4.350 -0.001 0.000 0.323 65 T C 0.174 174.862 174.700 -0.020 0.000 1.323 65 T CA -0.689 61.404 62.100 -0.012 0.000 1.073 65 T CB 0.366 69.245 68.868 0.017 0.000 1.150 65 T HN 0.407 nan 8.240 nan 0.000 0.727 66 Q N 2.749 122.529 119.800 -0.033 0.000 2.534 66 Q HA 0.134 4.473 4.340 -0.001 0.000 0.223 66 Q C 0.017 175.988 176.000 -0.049 0.000 1.239 66 Q CA -0.031 55.747 55.803 -0.041 0.000 0.936 66 Q CB 0.452 29.165 28.738 -0.041 0.000 1.457 66 Q HN 0.698 nan 8.270 nan 0.000 0.547 67 E N 1.683 121.853 120.200 -0.050 0.000 2.373 67 E HA 0.027 4.377 4.350 -0.001 0.000 0.267 67 E C -0.480 176.059 176.600 -0.102 0.000 1.032 67 E CA -0.347 56.023 56.400 -0.050 0.000 0.889 67 E CB 0.776 30.456 29.700 -0.034 0.000 0.984 67 E HN 0.368 nan 8.360 nan 0.000 0.425 68 D N 0.668 121.020 120.400 -0.078 0.000 2.414 68 D HA 0.076 4.715 4.640 -0.001 0.000 0.259 68 D C 0.796 176.998 176.300 -0.164 0.000 1.269 68 D CA -0.054 53.875 54.000 -0.118 0.000 1.028 68 D CB 0.408 41.219 40.800 0.017 0.000 1.093 68 D HN 0.418 nan 8.370 nan 0.000 0.545 69 H N -0.436 118.639 119.070 0.010 0.000 2.435 69 H HA 0.181 4.736 4.556 -0.001 0.000 0.309 69 H C 0.407 175.741 175.328 0.011 0.000 1.041 69 H CA 0.585 56.639 56.048 0.009 0.000 1.277 69 H CB 0.050 29.817 29.762 0.008 0.000 1.455 69 H HN 0.181 nan 8.280 nan 0.000 0.581 70 N N -2.137 116.670 118.700 0.179 0.000 2.815 70 N HA 0.286 5.026 4.740 -0.001 0.000 0.253 70 N C -0.151 175.406 175.510 0.079 0.000 1.202 70 N CA 0.539 53.645 53.050 0.094 0.000 0.925 70 N CB 1.555 40.082 38.487 0.066 0.000 1.622 70 N HN 0.678 nan 8.380 nan 0.000 0.497 71 G N 0.293 109.131 108.800 0.064 0.000 2.148 71 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.254 71 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.254 71 G C 0.922 175.858 174.900 0.060 0.000 0.981 71 G CA 1.117 46.251 45.100 0.057 0.000 0.670 71 G HN 0.963 nan 8.290 nan 0.000 0.528 72 G N -0.953 107.893 108.800 0.076 0.000 2.464 72 G HA2 0.334 4.294 3.960 -0.001 0.000 0.214 72 G HA3 0.334 4.294 3.960 -0.001 0.000 0.214 72 G C 0.675 175.611 174.900 0.061 0.000 1.218 72 G CA 1.590 46.735 45.100 0.075 0.000 0.794 72 G HN 0.644 nan 8.290 nan 0.000 0.542 73 Q N -2.170 117.666 119.800 0.061 0.000 2.565 73 Q HA 0.413 4.753 4.340 -0.001 0.000 0.294 73 Q C 0.090 176.126 176.000 0.059 0.000 1.005 73 Q CA -0.787 55.053 55.803 0.062 0.000 0.771 73 Q CB 2.110 30.888 28.738 0.067 0.000 1.486 73 Q HN 0.065 nan 8.270 nan 0.000 0.422 74 K N 0.137 120.574 120.400 0.062 0.000 2.157 74 K HA 0.121 4.441 4.320 -0.001 0.000 0.207 74 K C 0.831 177.431 176.600 0.001 0.000 1.030 74 K CA 0.573 56.890 56.287 0.051 0.000 0.965 74 K CB 0.463 33.015 32.500 0.087 0.000 0.877 74 K HN 0.306 nan 8.250 nan 0.000 0.460 75 Q N 0.102 119.881 119.800 -0.034 0.000 2.093 75 Q HA 0.290 4.629 4.340 -0.001 0.000 0.217 75 Q C -0.590 175.405 176.000 -0.008 0.000 0.785 75 Q CA 0.073 55.757 55.803 -0.198 0.000 1.038 75 Q CB 1.334 29.725 28.738 -0.578 0.000 1.190 75 Q HN 0.187 nan 8.270 nan 0.000 0.468 76 L N 2.253 123.590 121.223 0.190 0.000 2.283 76 L HA 0.397 4.736 4.340 -0.001 0.000 0.281 76 L C -0.231 176.741 176.870 0.169 0.000 1.033 76 L CA -0.340 54.674 54.840 0.290 0.000 0.848 76 L CB 1.056 43.270 42.059 0.258 0.000 1.226 76 L HN -0.004 nan 8.230 nan 0.000 0.429 77 S N 3.235 119.031 115.700 0.160 0.000 2.599 77 S HA 0.756 5.226 4.470 -0.001 0.000 0.287 77 S C -2.811 171.876 174.600 0.146 0.000 1.105 77 S CA -1.619 56.653 58.200 0.118 0.000 0.899 77 S CB 2.183 65.428 63.200 0.075 0.000 1.100 77 S HN 0.179 nan 8.310 nan 0.000 0.482 78 P HA 0.312 nan 4.420 nan 0.000 0.274 78 P C -0.335 177.007 177.300 0.071 0.000 1.260 78 P CA -0.155 62.994 63.100 0.081 0.000 0.793 78 P CB 0.479 32.219 31.700 0.066 0.000 1.048 79 Q N -1.103 118.717 119.800 0.034 0.000 2.378 79 Q HA 0.170 4.510 4.340 -0.001 0.000 0.216 79 Q C -0.083 175.911 176.000 -0.011 0.000 0.892 79 Q CA 1.011 56.829 55.803 0.025 0.000 0.931 79 Q CB 0.325 29.078 28.738 0.025 0.000 1.086 79 Q HN 0.413 nan 8.270 nan 0.000 0.528 80 K N 0.312 120.690 120.400 -0.036 0.000 2.687 80 K HA 0.420 4.739 4.320 -0.001 0.000 0.249 80 K C -1.559 174.970 176.600 -0.119 0.000 0.994 80 K CA -0.330 55.908 56.287 -0.081 0.000 0.913 80 K CB 2.577 35.039 32.500 -0.064 0.000 1.202 80 K HN -0.232 nan 8.250 nan 0.000 0.460 81 V N 2.612 122.400 119.914 -0.210 0.000 2.311 81 V HA 0.193 4.313 4.120 -0.001 0.000 0.275 81 V C -0.065 175.838 176.094 -0.319 0.000 1.022 81 V CA -0.498 61.609 62.300 -0.322 0.000 0.830 81 V CB 1.278 32.705 31.823 -0.660 0.000 1.012 81 V HN 0.681 nan 8.190 nan 0.000 0.452 82 T N 7.088 121.532 114.554 -0.184 0.000 3.151 82 T HA 0.430 4.780 4.350 -0.001 0.000 0.332 82 T C -0.102 174.570 174.700 -0.047 0.000 1.245 82 T CA -0.341 61.679 62.100 -0.133 0.000 1.019 82 T CB -0.239 68.606 68.868 -0.039 0.000 1.109 82 T HN 0.503 nan 8.240 nan 0.000 0.621 83 L N 0.587 121.726 121.223 -0.139 0.000 2.395 83 L HA 0.595 4.934 4.340 -0.001 0.000 0.269 83 L C -0.829 176.056 176.870 0.026 0.000 1.133 83 L CA -0.709 54.130 54.840 -0.001 0.000 0.812 83 L CB -0.183 41.838 42.059 -0.064 0.000 1.125 83 L HN 0.257 nan 8.230 nan 0.000 0.452 84 Y N 3.819 124.099 120.300 -0.034 0.000 2.587 84 Y HA 0.562 5.112 4.550 -0.001 0.000 0.328 84 Y C -0.425 175.473 175.900 -0.003 0.000 0.980 84 Y CA -0.889 57.199 58.100 -0.020 0.000 1.272 84 Y CB 1.305 39.753 38.460 -0.020 0.000 1.094 84 Y HN 0.565 nan 8.280 nan 0.000 0.503 85 L N 4.935 126.210 121.223 0.086 0.000 2.265 85 L HA 0.520 4.860 4.340 -0.001 0.000 0.289 85 L C -0.082 176.815 176.870 0.044 0.000 1.033 85 L CA -0.790 54.091 54.840 0.067 0.000 0.814 85 L CB 0.751 42.842 42.059 0.052 0.000 1.203 85 L HN 0.579 nan 8.230 nan 0.000 0.423 86 R N 6.365 126.891 120.500 0.043 0.000 2.357 86 R HA 0.495 4.834 4.340 -0.001 0.000 0.296 86 R C -2.365 173.939 176.300 0.006 0.000 1.052 86 R CA -1.654 54.458 56.100 0.020 0.000 0.988 86 R CB 0.868 31.180 30.300 0.020 0.000 1.025 86 R HN 0.448 nan 8.270 nan 0.000 0.469 87 P HA 0.001 nan 4.420 nan 0.000 0.264 87 P C 0.310 177.595 177.300 -0.025 0.000 1.183 87 P CA 1.169 64.255 63.100 -0.022 0.000 0.763 87 P CB 0.788 32.462 31.700 -0.043 0.000 0.807 88 G N 1.495 110.283 108.800 -0.021 0.000 2.304 88 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.252 88 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.252 88 G C 0.211 175.105 174.900 -0.009 0.000 1.014 88 G CA 0.028 45.115 45.100 -0.023 0.000 0.619 88 G HN 0.639 nan 8.290 nan 0.000 0.525 89 Q N 0.720 120.520 119.800 0.000 0.000 2.293 89 Q HA 0.696 5.036 4.340 -0.001 0.000 0.261 89 Q C 0.068 176.081 176.000 0.022 0.000 0.960 89 Q CA -0.040 55.769 55.803 0.011 0.000 0.882 89 Q CB 1.393 30.139 28.738 0.014 0.000 1.275 89 Q HN 0.793 nan 8.270 nan 0.000 0.445 90 A N 2.372 125.205 122.820 0.023 0.000 2.328 90 A HA 0.698 5.017 4.320 -0.001 0.000 0.284 90 A C -0.655 176.960 177.584 0.052 0.000 1.160 90 A CA -0.242 51.813 52.037 0.029 0.000 0.818 90 A CB 0.778 19.786 19.000 0.013 0.000 1.087 90 A HN 0.745 nan 8.150 nan 0.000 0.504 91 A N 1.886 124.758 122.820 0.085 0.000 2.290 91 A HA 0.706 5.025 4.320 -0.001 0.000 0.310 91 A C 0.244 177.929 177.584 0.169 0.000 1.202 91 A CA 0.127 52.246 52.037 0.138 0.000 0.837 91 A CB 0.559 19.666 19.000 0.178 0.000 1.139 91 A HN 2.036 nan 8.150 nan 0.000 0.509 92 A N 2.420 125.330 122.820 0.151 0.000 2.304 92 A HA 0.790 5.110 4.320 -0.001 0.000 0.314 92 A C -0.695 176.998 177.584 0.182 0.000 1.187 92 A CA -0.516 51.564 52.037 0.071 0.000 0.810 92 A CB 0.168 19.180 19.000 0.020 0.000 1.183 92 A HN 1.513 nan 8.150 nan 0.000 0.487 93 F N 0.948 120.919 119.950 0.035 0.000 2.561 93 F HA 0.664 5.191 4.527 -0.001 0.000 0.313 93 F C -0.432 175.411 175.800 0.071 0.000 1.126 93 F CA -1.324 56.703 58.000 0.046 0.000 0.918 93 F CB 1.113 40.137 39.000 0.040 0.000 1.199 93 F HN 0.348 nan 8.300 nan 0.000 0.444 94 N N 1.179 119.968 118.700 0.149 0.000 2.445 94 N HA 0.596 5.336 4.740 -0.001 0.000 0.264 94 N C -1.133 174.489 175.510 0.187 0.000 1.227 94 N CA -0.599 52.517 53.050 0.108 0.000 0.963 94 N CB 1.839 40.378 38.487 0.086 0.000 1.188 94 N HN 0.544 nan 8.380 nan 0.000 0.491 95 V N 0.741 120.775 119.914 0.199 0.000 2.445 95 V HA 0.230 4.350 4.120 -0.001 0.000 0.283 95 V C -0.297 175.942 176.094 0.241 0.000 1.014 95 V CA -0.773 61.685 62.300 0.263 0.000 0.852 95 V CB 1.239 33.277 31.823 0.357 0.000 1.021 95 V HN 0.574 nan 8.190 nan 0.000 0.435 96 T N 5.768 120.433 114.554 0.183 0.000 2.761 96 T HA 0.465 4.814 4.350 -0.001 0.000 0.296 96 T C -0.707 174.129 174.700 0.227 0.000 0.934 96 T CA 0.376 62.562 62.100 0.143 0.000 1.091 96 T CB 0.098 69.011 68.868 0.076 0.000 0.896 96 T HN 0.461 nan 8.240 nan 0.000 0.515 97 F N 4.301 124.280 119.950 0.049 0.000 2.577 97 F HA 0.464 4.991 4.527 -0.001 0.000 0.344 97 F C 0.001 175.811 175.800 0.016 0.000 1.145 97 F CA -1.058 56.974 58.000 0.054 0.000 0.996 97 F CB 0.946 40.024 39.000 0.131 0.000 1.248 97 F HN 0.403 nan 8.300 nan 0.000 0.447 98 R N 6.831 127.051 120.500 -0.466 0.000 2.477 98 R HA 0.376 4.716 4.340 -0.001 0.000 0.285 98 R C 0.171 176.170 176.300 -0.502 0.000 1.415 98 R CA -0.660 55.230 56.100 -0.350 0.000 1.446 98 R CB 0.414 30.611 30.300 -0.172 0.000 1.110 98 R HN 0.878 nan 8.270 nan 0.000 0.590 99 R N 1.346 121.456 120.500 -0.650 0.000 3.011 99 R HA -0.091 4.248 4.340 -0.001 0.000 0.283 99 R C 0.044 176.247 176.300 -0.161 0.000 0.990 99 R CA 1.575 57.452 56.100 -0.373 0.000 1.178 99 R CB 0.394 30.662 30.300 -0.054 0.000 1.136 99 R HN 0.674 nan 8.270 nan 0.000 0.500 100 A N 0.612 123.390 122.820 -0.071 0.000 2.674 100 A HA 0.249 4.569 4.320 -0.001 0.000 0.274 100 A C -0.509 176.973 177.584 -0.170 0.000 1.065 100 A CA -0.144 51.828 52.037 -0.108 0.000 0.978 100 A CB 0.242 19.198 19.000 -0.073 0.000 1.242 100 A HN 0.822 nan 8.150 nan 0.000 0.583 101 K N -2.489 117.835 120.400 -0.126 0.000 2.972 101 K HA -0.100 4.220 4.320 -0.001 0.000 0.853 101 K C 0.292 176.760 176.600 -0.220 0.000 2.102 101 K CA 0.327 56.520 56.287 -0.157 0.000 1.382 101 K CB -1.457 30.939 32.500 -0.173 0.000 2.605 101 K HN 0.878 nan 8.250 nan 0.000 0.218 102 G N 0.637 109.307 108.800 -0.217 0.000 2.370 102 G HA2 0.591 4.551 3.960 -0.001 0.000 0.317 102 G HA3 0.591 4.551 3.960 -0.001 0.000 0.317 102 G C -1.001 173.808 174.900 -0.151 0.000 1.162 102 G CA -0.388 44.636 45.100 -0.126 0.000 0.922 102 G HN 0.316 nan 8.290 nan 0.000 0.454 103 Y N 2.065 122.421 120.300 0.093 0.000 2.289 103 Y HA 0.335 4.884 4.550 -0.001 0.000 0.332 103 Y C -1.577 174.378 175.900 0.092 0.000 1.324 103 Y CA -2.013 56.141 58.100 0.089 0.000 1.478 103 Y CB 0.449 38.975 38.460 0.109 0.000 1.378 103 Y HN 0.334 nan 8.280 nan 0.000 0.558 104 P HA -0.042 nan 4.420 nan 0.000 0.258 104 P C -0.373 177.036 177.300 0.182 0.000 1.172 104 P CA 0.525 63.727 63.100 0.171 0.000 0.762 104 P CB 0.246 32.033 31.700 0.144 0.000 0.764 105 I N 2.660 123.326 120.570 0.160 0.000 2.834 105 I HA 0.312 4.482 4.170 -0.001 0.000 0.305 105 I C -0.040 176.159 176.117 0.138 0.000 1.008 105 I CA -0.044 61.361 61.300 0.175 0.000 1.273 105 I CB 1.054 39.171 38.000 0.194 0.000 1.432 105 I HN 0.188 nan 8.210 nan 0.000 0.557 106 D N 5.689 126.183 120.400 0.157 0.000 2.445 106 D HA 0.293 4.933 4.640 -0.001 0.000 0.236 106 D C -0.961 175.453 176.300 0.190 0.000 1.315 106 D CA -0.275 53.812 54.000 0.144 0.000 0.924 106 D CB 0.648 41.578 40.800 0.218 0.000 1.447 106 D HN 0.316 nan 8.370 nan 0.000 0.532 107 L N 1.769 123.064 121.223 0.120 0.000 2.456 107 L HA 0.459 4.799 4.340 -0.001 0.000 0.257 107 L C -0.562 176.450 176.870 0.237 0.000 1.162 107 L CA -0.672 54.269 54.840 0.168 0.000 0.808 107 L CB 0.915 43.039 42.059 0.109 0.000 1.136 107 L HN 0.329 nan 8.230 nan 0.000 0.466 108 Y N 0.718 121.129 120.300 0.184 0.000 2.358 108 Y HA 0.227 4.777 4.550 -0.001 0.000 0.324 108 Y C -1.279 174.771 175.900 0.250 0.000 1.123 108 Y CA -0.735 57.503 58.100 0.230 0.000 1.067 108 Y CB 1.240 39.886 38.460 0.310 0.000 1.230 108 Y HN 0.343 nan 8.280 nan 0.000 0.429 109 Y N 7.332 127.596 120.300 -0.060 0.000 2.594 109 Y HA 0.429 4.979 4.550 -0.001 0.000 0.342 109 Y C -0.805 175.025 175.900 -0.117 0.000 1.010 109 Y CA -0.477 57.643 58.100 0.035 0.000 1.270 109 Y CB 0.369 38.962 38.460 0.222 0.000 1.125 109 Y HN 0.557 nan 8.280 nan 0.000 0.513 110 L N 7.833 129.051 121.223 -0.008 0.000 2.385 110 L HA 0.261 4.601 4.340 -0.001 0.000 0.285 110 L C -0.065 176.803 176.870 -0.003 0.000 1.125 110 L CA 0.078 55.008 54.840 0.151 0.000 0.890 110 L CB 0.065 42.300 42.059 0.293 0.000 1.251 110 L HN 0.627 nan 8.230 nan 0.000 0.445 111 M N 3.027 122.536 119.600 -0.152 0.000 2.205 111 M HA 0.288 4.767 4.480 -0.001 0.000 0.344 111 M C -0.526 175.301 176.300 -0.788 0.000 1.085 111 M CA -0.631 54.520 55.300 -0.248 0.000 1.001 111 M CB 1.568 34.311 32.600 0.239 0.000 1.626 111 M HN 0.288 nan 8.290 nan 0.000 0.442 112 D N 5.128 124.933 120.400 -0.993 0.000 2.358 112 D HA 0.179 4.818 4.640 -0.001 0.000 0.258 112 D C -1.005 175.046 176.300 -0.415 0.000 1.223 112 D CA 0.138 53.486 54.000 -1.088 0.000 0.886 112 D CB 0.503 40.969 40.800 -0.556 0.000 1.120 112 D HN 0.654 nan 8.370 nan 0.000 0.482 113 L N 4.005 125.049 121.223 -0.300 0.000 2.315 113 L HA 0.277 4.617 4.340 -0.001 0.000 0.278 113 L C 0.011 176.872 176.870 -0.016 0.000 1.088 113 L CA -0.329 54.490 54.840 -0.035 0.000 0.899 113 L CB 0.201 42.386 42.059 0.210 0.000 1.277 113 L HN 0.339 nan 8.230 nan 0.000 0.431 114 S N 0.150 115.852 115.700 0.002 0.000 2.810 114 S HA 0.267 4.737 4.470 -0.001 0.000 0.315 114 S C 0.261 174.919 174.600 0.097 0.000 1.138 114 S CA -0.496 57.741 58.200 0.062 0.000 0.889 114 S CB 1.375 64.612 63.200 0.063 0.000 1.236 114 S HN 0.464 nan 8.310 nan 0.000 0.548 115 Y N 1.772 122.091 120.300 0.032 0.000 2.561 115 Y HA -0.023 4.527 4.550 -0.000 0.000 0.291 115 Y C 2.347 178.266 175.900 0.031 0.000 1.141 115 Y CA 1.323 59.443 58.100 0.033 0.000 1.303 115 Y CB 0.047 38.527 38.460 0.033 0.000 1.015 115 Y HN 0.684 nan 8.280 nan 0.000 0.547 116 S N -1.278 114.513 115.700 0.153 0.000 2.496 116 S HA 0.009 4.479 4.470 -0.001 0.000 0.224 116 S C 1.101 175.723 174.600 0.036 0.000 0.996 116 S CA 0.251 58.511 58.200 0.100 0.000 0.927 116 S CB -0.081 63.183 63.200 0.108 0.000 0.774 116 S HN 0.231 nan 8.310 nan 0.000 0.524 117 M N 1.624 121.230 119.600 0.011 0.000 3.007 117 M HA 0.424 4.904 4.480 -0.001 0.000 0.288 117 M C 0.471 176.743 176.300 -0.046 0.000 1.246 117 M CA -0.117 55.179 55.300 -0.006 0.000 1.040 117 M CB -0.487 32.109 32.600 -0.006 0.000 1.254 117 M HN 0.324 nan 8.290 nan 0.000 0.517 118 L N 0.639 121.803 121.223 -0.100 0.000 2.062 118 L HA -0.132 4.207 4.340 -0.001 0.000 0.202 118 L C 1.967 178.781 176.870 -0.094 0.000 1.079 118 L CA 1.253 55.999 54.840 -0.156 0.000 0.755 118 L CB -0.396 41.481 42.059 -0.304 0.000 0.913 118 L HN 0.368 nan 8.230 nan 0.000 0.445 119 D N -1.066 119.292 120.400 -0.070 0.000 2.350 119 D HA -0.184 4.456 4.640 -0.001 0.000 0.216 119 D C 1.249 177.538 176.300 -0.019 0.000 0.968 119 D CA 0.852 54.828 54.000 -0.039 0.000 0.894 119 D CB -0.406 40.381 40.800 -0.022 0.000 0.909 119 D HN 0.255 nan 8.370 nan 0.000 0.520 120 D N 0.254 120.649 120.400 -0.009 0.000 2.120 120 D HA -0.026 4.614 4.640 -0.001 0.000 0.202 120 D C 1.991 178.294 176.300 0.005 0.000 0.972 120 D CA 0.373 54.383 54.000 0.017 0.000 0.837 120 D CB -0.306 40.517 40.800 0.038 0.000 0.989 120 D HN 0.191 nan 8.370 nan 0.000 0.469 121 L N 0.388 121.601 121.223 -0.016 0.000 2.201 121 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 121 L C 2.317 179.149 176.870 -0.064 0.000 1.105 121 L CA 0.969 55.785 54.840 -0.039 0.000 0.775 121 L CB 0.091 42.121 42.059 -0.048 0.000 0.913 121 L HN -0.056 nan 8.230 nan 0.000 0.440 122 R N -0.079 120.388 120.500 -0.055 0.000 2.062 122 R HA -0.091 4.249 4.340 -0.001 0.000 0.226 122 R C 1.380 177.651 176.300 -0.048 0.000 1.125 122 R CA 1.692 57.758 56.100 -0.057 0.000 0.966 122 R CB -0.169 30.101 30.300 -0.051 0.000 0.861 122 R HN 0.401 nan 8.270 nan 0.000 0.433 123 N N -0.586 118.095 118.700 -0.032 0.000 2.434 123 N HA 0.019 4.758 4.740 -0.001 0.000 0.196 123 N C -0.030 175.464 175.510 -0.027 0.000 1.183 123 N CA -0.085 52.952 53.050 -0.022 0.000 0.849 123 N CB 1.048 39.532 38.487 -0.004 0.000 0.992 123 N HN 0.035 nan 8.380 nan 0.000 0.460 124 V N -0.260 119.624 119.914 -0.050 0.000 3.283 124 V HA -0.069 4.051 4.120 -0.001 0.000 0.265 124 V C 1.656 177.664 176.094 -0.143 0.000 1.672 124 V CA -0.104 62.148 62.300 -0.080 0.000 1.020 124 V CB 0.342 32.135 31.823 -0.050 0.000 0.854 124 V HN 0.246 nan 8.190 nan 0.000 0.408 125 K N 1.825 122.143 120.400 -0.137 0.000 2.173 125 K HA -0.169 4.151 4.320 -0.001 0.000 0.207 125 K C 0.651 177.127 176.600 -0.207 0.000 1.046 125 K CA 1.567 57.740 56.287 -0.190 0.000 0.929 125 K CB -0.084 32.323 32.500 -0.154 0.000 0.720 125 K HN 0.368 nan 8.250 nan 0.000 0.453 126 K N 0.555 120.867 120.400 -0.147 0.000 3.306 126 K HA 0.192 4.511 4.320 -0.001 0.000 0.169 126 K C -1.589 174.963 176.600 -0.081 0.000 1.110 126 K CA -0.318 55.897 56.287 -0.120 0.000 0.783 126 K CB 0.990 33.426 32.500 -0.107 0.000 0.958 126 K HN -0.034 nan 8.250 nan 0.000 0.581 127 L N 0.528 121.702 121.223 -0.082 0.000 2.506 127 L HA 0.458 4.797 4.340 -0.001 0.000 0.247 127 L C 0.415 177.258 176.870 -0.045 0.000 1.141 127 L CA 0.202 55.011 54.840 -0.052 0.000 0.973 127 L CB 0.810 42.843 42.059 -0.042 0.000 1.319 127 L HN 0.406 nan 8.230 nan 0.000 0.455 128 G N 0.522 109.305 108.800 -0.029 0.000 3.146 128 G HA2 0.130 4.089 3.960 -0.001 0.000 0.238 128 G HA3 0.130 4.089 3.960 -0.001 0.000 0.238 128 G C 0.958 175.842 174.900 -0.026 0.000 1.022 128 G CA 0.389 45.476 45.100 -0.022 0.000 0.880 128 G HN 0.627 nan 8.290 nan 0.000 0.533 129 G N 1.466 110.254 108.800 -0.020 0.000 2.572 129 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.216 129 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.216 129 G C 1.253 176.144 174.900 -0.015 0.000 1.133 129 G CA 1.315 46.403 45.100 -0.019 0.000 0.791 129 G HN 0.450 nan 8.290 nan 0.000 0.538 130 D N 0.123 120.516 120.400 -0.011 0.000 2.360 130 D HA 0.053 4.693 4.640 -0.001 0.000 0.210 130 D C 2.110 178.412 176.300 0.004 0.000 1.047 130 D CA -0.160 53.839 54.000 -0.003 0.000 0.854 130 D CB -0.226 40.575 40.800 0.002 0.000 0.936 130 D HN 0.351 nan 8.370 nan 0.000 0.514 131 L N -0.412 120.808 121.223 -0.005 0.000 2.102 131 L HA -0.000 4.340 4.340 -0.001 0.000 0.202 131 L C 2.133 179.001 176.870 -0.003 0.000 1.076 131 L CA 0.411 55.252 54.840 0.002 0.000 0.761 131 L CB -0.256 41.791 42.059 -0.019 0.000 0.921 131 L HN -0.017 nan 8.230 nan 0.000 0.444 132 L N -0.223 120.986 121.223 -0.023 0.000 2.201 132 L HA -0.136 4.203 4.340 -0.001 0.000 0.212 132 L C 2.633 179.498 176.870 -0.009 0.000 1.105 132 L CA 1.435 56.262 54.840 -0.021 0.000 0.775 132 L CB -0.676 41.362 42.059 -0.034 0.000 0.913 132 L HN 0.158 nan 8.230 nan 0.000 0.440 133 R N -0.347 120.150 120.500 -0.006 0.000 2.115 133 R HA -0.065 4.274 4.340 -0.001 0.000 0.226 133 R C 2.033 178.336 176.300 0.005 0.000 1.100 133 R CA 1.130 57.228 56.100 -0.002 0.000 0.980 133 R CB -0.089 30.210 30.300 -0.002 0.000 0.875 133 R HN 0.325 nan 8.270 nan 0.000 0.445 134 A N 0.405 123.234 122.820 0.015 0.000 2.169 134 A HA -0.010 4.310 4.320 -0.001 0.000 0.212 134 A C 1.697 179.301 177.584 0.033 0.000 1.153 134 A CA 0.361 52.416 52.037 0.029 0.000 0.756 134 A CB -0.029 19.000 19.000 0.048 0.000 0.813 134 A HN 0.364 nan 8.150 nan 0.000 0.471 135 L N -0.745 120.493 121.223 0.025 0.000 2.513 135 L HA 0.188 4.528 4.340 -0.001 0.000 0.222 135 L C 1.580 178.449 176.870 -0.002 0.000 1.096 135 L CA 1.385 56.241 54.840 0.027 0.000 0.857 135 L CB -0.532 41.546 42.059 0.031 0.000 1.026 135 L HN 0.316 nan 8.230 nan 0.000 0.469 136 N N 0.424 119.119 118.700 -0.008 0.000 2.120 136 N HA -0.221 4.519 4.740 -0.001 0.000 0.188 136 N C 1.530 177.024 175.510 -0.027 0.000 1.024 136 N CA 1.824 54.864 53.050 -0.015 0.000 0.852 136 N CB 0.128 38.607 38.487 -0.013 0.000 1.003 136 N HN 0.482 nan 8.380 nan 0.000 0.424 137 E N 0.317 120.497 120.200 -0.033 0.000 2.000 137 E HA -0.133 4.217 4.350 -0.001 0.000 0.199 137 E C 2.015 178.574 176.600 -0.069 0.000 1.011 137 E CA 1.461 57.833 56.400 -0.046 0.000 0.836 137 E CB -0.301 29.371 29.700 -0.047 0.000 0.778 137 E HN 0.305 nan 8.360 nan 0.000 0.462 138 I N 0.523 121.029 120.570 -0.107 0.000 2.130 138 I HA -0.055 4.114 4.170 -0.001 0.000 0.234 138 I C 1.125 177.174 176.117 -0.114 0.000 1.067 138 I CA 1.022 62.231 61.300 -0.150 0.000 1.339 138 I CB -1.737 36.087 38.000 -0.293 0.000 1.073 138 I HN 0.051 nan 8.210 nan 0.000 0.405 139 T N 2.022 116.520 114.554 -0.094 0.000 2.874 139 T HA 0.283 4.632 4.350 -0.001 0.000 0.281 139 T C 0.716 175.406 174.700 -0.016 0.000 0.994 139 T CA -0.618 61.461 62.100 -0.034 0.000 1.015 139 T CB 1.852 70.734 68.868 0.024 0.000 1.028 139 T HN 0.369 nan 8.240 nan 0.000 0.523 140 E N 0.408 120.608 120.200 0.000 0.000 3.497 140 E HA 0.256 4.606 4.350 -0.001 0.000 0.384 140 E C 0.114 176.720 176.600 0.010 0.000 0.451 140 E CA -0.698 55.703 56.400 0.001 0.000 2.217 140 E CB -0.192 29.508 29.700 0.000 0.000 2.185 140 E HN 0.494 nan 8.360 nan 0.000 0.461 141 S N 0.786 116.493 115.700 0.013 0.000 2.670 141 S HA 0.296 4.765 4.470 -0.001 0.000 0.328 141 S C 0.424 175.037 174.600 0.022 0.000 1.179 141 S CA -0.473 57.733 58.200 0.011 0.000 1.194 141 S CB -0.219 62.987 63.200 0.011 0.000 1.359 141 S HN 0.578 nan 8.310 nan 0.000 0.555 142 G N 2.550 111.360 108.800 0.017 0.000 2.574 142 G HA2 0.647 4.607 3.960 -0.001 0.000 0.248 142 G HA3 0.647 4.607 3.960 -0.001 0.000 0.248 142 G C -0.197 174.700 174.900 -0.004 0.000 1.422 142 G CA -0.991 44.126 45.100 0.028 0.000 1.051 142 G HN 0.594 nan 8.290 nan 0.000 0.560 143 R N -1.526 118.964 120.500 -0.017 0.000 2.771 143 R HA 0.583 4.923 4.340 -0.001 0.000 0.274 143 R C -1.709 174.512 176.300 -0.132 0.000 0.987 143 R CA -0.699 55.359 56.100 -0.069 0.000 0.908 143 R CB 1.781 32.048 30.300 -0.055 0.000 1.213 143 R HN 0.342 nan 8.270 nan 0.000 0.468 144 I N 0.123 120.545 120.570 -0.247 0.000 2.534 144 I HA 0.547 4.717 4.170 -0.001 0.000 0.288 144 I C 0.200 176.021 176.117 -0.494 0.000 1.077 144 I CA -0.259 60.760 61.300 -0.468 0.000 1.051 144 I CB 2.359 39.874 38.000 -0.809 0.000 1.234 144 I HN 0.709 nan 8.210 nan 0.000 0.425 145 G N 4.217 112.873 108.800 -0.239 0.000 2.605 145 G HA2 0.770 4.730 3.960 -0.001 0.000 0.296 145 G HA3 0.770 4.730 3.960 -0.001 0.000 0.296 145 G C -2.076 172.844 174.900 0.033 0.000 1.304 145 G CA -0.589 44.556 45.100 0.074 0.000 0.941 145 G HN 0.321 nan 8.290 nan 0.000 0.475 146 F N 0.178 119.924 119.950 -0.341 0.000 2.588 146 F HA 0.761 5.288 4.527 -0.001 0.000 0.310 146 F C -0.038 175.366 175.800 -0.660 0.000 1.082 146 F CA -0.512 57.179 58.000 -0.515 0.000 0.929 146 F CB 2.569 41.368 39.000 -0.335 0.000 1.254 146 F HN 0.803 nan 8.300 nan 0.000 0.455 147 G N 2.731 110.825 108.800 -1.178 0.000 2.741 147 G HA2 0.470 4.429 3.960 -0.001 0.000 0.293 147 G HA3 0.470 4.429 3.960 -0.001 0.000 0.293 147 G C -1.878 172.740 174.900 -0.470 0.000 1.457 147 G CA -0.669 44.237 45.100 -0.323 0.000 1.098 147 G HN 0.766 nan 8.290 nan 0.000 0.536 148 S N 0.612 116.187 115.700 -0.209 0.000 2.687 148 S HA 0.933 5.403 4.470 -0.001 0.000 0.283 148 S C -0.704 174.144 174.600 0.413 0.000 1.170 148 S CA -0.604 57.638 58.200 0.071 0.000 1.008 148 S CB 0.700 64.084 63.200 0.307 0.000 1.026 148 S HN 1.409 nan 8.310 nan 0.000 0.541 149 F N 0.661 120.743 119.950 0.221 0.000 2.708 149 F HA 0.658 5.185 4.527 -0.001 0.000 0.309 149 F C -0.833 174.844 175.800 -0.204 0.000 1.120 149 F CA -0.959 57.075 58.000 0.056 0.000 0.978 149 F CB 0.289 39.378 39.000 0.147 0.000 1.283 149 F HN 0.318 nan 8.300 nan 0.000 0.439 150 V N -0.399 119.389 119.914 -0.209 0.000 4.197 150 V HA 0.507 4.627 4.120 -0.001 0.000 0.176 150 V C -1.008 175.108 176.094 0.036 0.000 1.208 150 V CA 0.658 62.816 62.300 -0.236 0.000 1.306 150 V CB 0.660 32.134 31.823 -0.581 0.000 1.585 150 V HN 0.898 nan 8.190 nan 0.000 0.552 151 D N -1.087 119.278 120.400 -0.058 0.000 2.798 151 D HA 0.193 4.833 4.640 -0.001 0.000 0.265 151 D C -1.174 175.085 176.300 -0.068 0.000 1.223 151 D CA -0.604 53.408 54.000 0.020 0.000 0.743 151 D CB 1.678 42.554 40.800 0.126 0.000 1.276 151 D HN 0.152 nan 8.370 nan 0.000 0.421 152 K N 0.180 120.488 120.400 -0.152 0.000 2.559 152 K HA 0.016 4.336 4.320 -0.001 0.000 0.279 152 K C 0.767 177.376 176.600 0.015 0.000 0.967 152 K CA 0.715 56.893 56.287 -0.181 0.000 1.000 152 K CB 0.441 32.675 32.500 -0.444 0.000 0.890 152 K HN 0.387 nan 8.250 nan 0.000 0.501 153 T N 1.703 116.326 114.554 0.115 0.000 2.737 153 T HA -0.105 4.245 4.350 -0.001 0.000 0.265 153 T C 0.852 175.617 174.700 0.108 0.000 1.038 153 T CA 0.711 62.903 62.100 0.154 0.000 1.144 153 T CB 0.002 68.985 68.868 0.192 0.000 0.866 153 T HN 0.447 nan 8.240 nan 0.000 0.434 154 V N 3.469 123.442 119.914 0.099 0.000 2.834 154 V HA 0.403 4.522 4.120 -0.001 0.000 0.301 154 V C 0.087 176.288 176.094 0.178 0.000 1.066 154 V CA -1.221 61.142 62.300 0.106 0.000 1.052 154 V CB 0.289 32.169 31.823 0.095 0.000 1.021 154 V HN 0.373 nan 8.190 nan 0.000 0.480 155 L N 4.560 125.877 121.223 0.157 0.000 2.473 155 L HA 0.424 4.764 4.340 -0.001 0.000 0.265 155 L C -1.943 175.071 176.870 0.240 0.000 1.243 155 L CA -0.786 54.156 54.840 0.170 0.000 0.822 155 L CB -1.239 40.875 42.059 0.092 0.000 1.101 155 L HN 0.394 nan 8.230 nan 0.000 0.507 156 P HA 0.143 nan 4.420 nan 0.000 0.255 156 P C 0.310 177.523 177.300 -0.144 0.000 1.427 156 P CA 0.493 63.569 63.100 -0.040 0.000 0.863 156 P CB -0.223 31.389 31.700 -0.147 0.000 1.444 157 F N -0.724 119.206 119.950 -0.032 0.000 2.743 157 F HA 0.190 4.717 4.527 -0.000 0.000 0.297 157 F C 1.145 176.933 175.800 -0.020 0.000 1.131 157 F CA 0.295 58.260 58.000 -0.059 0.000 1.426 157 F CB 0.464 39.421 39.000 -0.072 0.000 1.116 157 F HN -0.189 nan 8.300 nan 0.000 0.583 158 V N 0.547 120.551 119.914 0.150 0.000 2.901 158 V HA 0.160 4.279 4.120 -0.001 0.000 0.257 158 V C -1.560 174.579 176.094 0.074 0.000 1.709 158 V CA -1.551 60.805 62.300 0.093 0.000 0.926 158 V CB 0.744 32.626 31.823 0.099 0.000 1.291 158 V HN 0.295 nan 8.190 nan 0.000 0.460 159 N N 3.702 122.433 118.700 0.051 0.000 2.293 159 N HA 0.103 4.843 4.740 -0.001 0.000 0.253 159 N C 0.743 176.274 175.510 0.035 0.000 1.248 159 N CA 0.818 53.896 53.050 0.046 0.000 0.845 159 N CB 0.990 39.503 38.487 0.042 0.000 1.073 159 N HN 0.921 nan 8.380 nan 0.000 0.464 160 T N -2.590 111.979 114.554 0.025 0.000 3.000 160 T HA 0.170 4.519 4.350 -0.001 0.000 0.248 160 T C 0.006 174.545 174.700 -0.268 0.000 1.034 160 T CA 0.401 62.462 62.100 -0.065 0.000 1.060 160 T CB -0.305 68.549 68.868 -0.023 0.000 0.983 160 T HN 0.652 nan 8.240 nan 0.000 0.482 161 H N 0.739 119.835 119.070 0.043 0.000 2.949 161 H HA 0.654 5.210 4.556 -0.001 0.000 0.310 161 H C -2.496 172.851 175.328 0.032 0.000 1.405 161 H CA -1.684 54.386 56.048 0.036 0.000 1.253 161 H CB 1.132 30.912 29.762 0.030 0.000 1.932 161 H HN 0.021 nan 8.280 nan 0.000 0.602 162 P HA 0.147 nan 4.420 nan 0.000 0.344 162 P C -0.228 177.138 177.300 0.110 0.000 1.282 162 P CA -0.397 62.817 63.100 0.190 0.000 0.769 162 P CB 0.919 32.692 31.700 0.121 0.000 1.561 163 D N -0.827 119.629 120.400 0.093 0.000 2.420 163 D HA -0.116 4.523 4.640 -0.001 0.000 0.233 163 D C 1.492 177.824 176.300 0.053 0.000 1.017 163 D CA 0.699 54.742 54.000 0.071 0.000 0.951 163 D CB -0.481 40.356 40.800 0.061 0.000 0.877 163 D HN 0.406 nan 8.370 nan 0.000 0.528 164 K N 0.427 120.857 120.400 0.050 0.000 2.286 164 K HA -0.177 4.143 4.320 -0.001 0.000 0.203 164 K C 1.791 178.418 176.600 0.046 0.000 1.045 164 K CA 0.598 56.910 56.287 0.042 0.000 0.935 164 K CB -0.065 32.457 32.500 0.037 0.000 0.737 164 K HN 0.105 nan 8.250 nan 0.000 0.460 165 L N 0.941 122.192 121.223 0.047 0.000 2.156 165 L HA -0.033 4.307 4.340 -0.001 0.000 0.208 165 L C 1.800 178.697 176.870 0.045 0.000 1.095 165 L CA 1.446 56.308 54.840 0.036 0.000 0.770 165 L CB -0.142 41.916 42.059 -0.002 0.000 0.914 165 L HN 0.065 nan 8.230 nan 0.000 0.439 166 R N -0.592 119.936 120.500 0.047 0.000 2.193 166 R HA 0.050 4.390 4.340 -0.001 0.000 0.213 166 R C 0.209 176.538 176.300 0.049 0.000 1.055 166 R CA 0.675 56.802 56.100 0.046 0.000 0.995 166 R CB -0.144 30.181 30.300 0.042 0.000 0.893 166 R HN 0.274 nan 8.270 nan 0.000 0.459 167 N N -0.194 118.535 118.700 0.049 0.000 2.716 167 N HA 0.151 4.891 4.740 -0.001 0.000 0.245 167 N C -2.477 173.063 175.510 0.049 0.000 1.495 167 N CA -1.781 51.299 53.050 0.050 0.000 0.759 167 N CB 1.340 39.851 38.487 0.040 0.000 1.261 167 N HN -0.218 nan 8.380 nan 0.000 0.515 168 P HA 0.086 nan 4.420 nan 0.000 0.223 168 P C 0.136 177.462 177.300 0.043 0.000 1.151 168 P CA 0.351 63.485 63.100 0.056 0.000 0.787 168 P CB 0.153 31.901 31.700 0.081 0.000 0.788 169 c N 2.389 121.030 118.600 0.068 0.000 2.519 169 c HA 0.040 4.610 4.570 -0.001 0.000 0.402 169 c C -1.890 172.181 174.090 -0.032 0.000 1.475 169 c CA -0.526 55.851 56.329 0.079 0.000 1.504 169 c CB -0.990 41.604 42.510 0.139 0.000 2.454 169 c HN 0.225 nan 8.230 nan 0.000 0.615 170 P HA 0.168 nan 4.420 nan 0.000 0.273 170 P C 0.486 177.651 177.300 -0.224 0.000 1.319 170 P CA 0.895 63.827 63.100 -0.282 0.000 0.885 170 P CB 0.345 31.746 31.700 -0.500 0.000 1.015 171 N N 3.267 121.913 118.700 -0.091 0.000 2.825 171 N HA -0.222 4.518 4.740 -0.001 0.000 0.206 171 N C 0.748 176.265 175.510 0.010 0.000 1.057 171 N CA 2.246 55.272 53.050 -0.040 0.000 1.343 171 N CB -1.220 37.234 38.487 -0.054 0.000 0.942 171 N HN 0.286 nan 8.380 nan 0.000 0.562 172 K N 0.448 120.877 120.400 0.049 0.000 2.168 172 K HA 0.164 4.483 4.320 -0.001 0.000 0.201 172 K C -0.267 176.382 176.600 0.083 0.000 1.049 172 K CA 0.628 56.973 56.287 0.097 0.000 0.974 172 K CB 0.126 32.739 32.500 0.190 0.000 0.792 172 K HN 0.365 nan 8.250 nan 0.000 0.463 173 E N 1.415 121.671 120.200 0.093 0.000 2.210 173 E HA -0.204 4.146 4.350 -0.001 0.000 0.201 173 E C -0.500 176.140 176.600 0.067 0.000 1.339 173 E CA 0.529 56.973 56.400 0.074 0.000 0.699 173 E CB -1.211 28.516 29.700 0.045 0.000 1.126 173 E HN 0.417 nan 8.360 nan 0.000 0.355 174 K N 0.722 121.170 120.400 0.081 0.000 3.100 174 K HA 0.167 4.487 4.320 -0.001 0.000 0.256 174 K C 0.110 176.732 176.600 0.037 0.000 1.146 174 K CA -0.022 56.296 56.287 0.051 0.000 1.233 174 K CB 0.439 32.965 32.500 0.044 0.000 1.226 174 K HN 0.133 nan 8.250 nan 0.000 0.442 175 E N 0.132 120.356 120.200 0.039 0.000 2.340 175 E HA -0.209 4.141 4.350 -0.001 0.000 0.240 175 E C -0.325 176.294 176.600 0.031 0.000 1.154 175 E CA 0.571 56.988 56.400 0.028 0.000 0.717 175 E CB -2.364 27.343 29.700 0.012 0.000 1.250 175 E HN 0.752 nan 8.360 nan 0.000 0.386 176 c N 0.093 118.727 118.600 0.056 0.000 2.700 176 c HA 0.496 5.066 4.570 -0.001 0.000 0.397 176 c C 1.229 175.356 174.090 0.062 0.000 1.301 176 c CA -0.058 56.311 56.329 0.068 0.000 2.219 176 c CB 0.497 43.076 42.510 0.115 0.000 2.699 176 c HN 0.573 nan 8.230 nan 0.000 0.669 177 Q N 1.924 121.760 119.800 0.060 0.000 2.417 177 Q HA 0.484 4.824 4.340 -0.001 0.000 0.241 177 Q C -2.538 173.526 176.000 0.108 0.000 1.008 177 Q CA -1.149 54.677 55.803 0.038 0.000 0.901 177 Q CB -0.327 28.382 28.738 -0.048 0.000 1.259 177 Q HN 0.556 nan 8.270 nan 0.000 0.489 178 P HA 0.100 nan 4.420 nan 0.000 0.266 178 P C -2.438 175.026 177.300 0.273 0.000 1.195 178 P CA -0.913 62.268 63.100 0.134 0.000 0.768 178 P CB -0.336 31.415 31.700 0.085 0.000 0.838 179 P HA -0.003 nan 4.420 nan 0.000 0.261 179 P C -0.663 176.875 177.300 0.397 0.000 1.183 179 P CA 0.829 64.093 63.100 0.274 0.000 0.761 179 P CB -0.135 31.657 31.700 0.153 0.000 0.785 180 F N 1.193 121.258 119.950 0.192 0.000 3.117 180 F HA 0.891 5.418 4.527 -0.001 0.000 0.345 180 F C 0.540 176.497 175.800 0.262 0.000 1.278 180 F CA -0.783 57.422 58.000 0.341 0.000 1.035 180 F CB 0.375 39.565 39.000 0.316 0.000 1.531 180 F HN 0.190 nan 8.300 nan 0.000 0.515 181 A N -0.768 122.116 122.820 0.106 0.000 1.792 181 A HA 0.441 4.761 4.320 -0.001 0.000 0.189 181 A C -0.961 176.636 177.584 0.022 0.000 1.926 181 A CA 0.265 52.089 52.037 -0.356 0.000 1.493 181 A CB 0.221 18.663 19.000 -0.930 0.000 1.554 181 A HN 0.889 nan 8.150 nan 0.000 0.340 182 F N 0.649 120.670 119.950 0.119 0.000 2.839 182 F HA 0.611 5.137 4.527 -0.001 0.000 0.344 182 F C -0.909 175.195 175.800 0.507 0.000 1.242 182 F CA -0.423 57.774 58.000 0.328 0.000 1.091 182 F CB 1.172 40.242 39.000 0.115 0.000 1.374 182 F HN 0.076 nan 8.300 nan 0.000 0.553 183 R N 4.134 124.586 120.500 -0.080 0.000 2.371 183 R HA 0.259 4.599 4.340 -0.001 0.000 0.312 183 R C -1.263 174.827 176.300 -0.350 0.000 0.980 183 R CA -0.875 55.116 56.100 -0.182 0.000 0.867 183 R CB 0.510 30.712 30.300 -0.164 0.000 1.163 183 R HN 0.779 nan 8.270 nan 0.000 0.492 184 H N 4.154 122.941 119.070 -0.473 0.000 3.291 184 H HA 0.057 4.613 4.556 -0.001 0.000 0.256 184 H C 0.669 175.962 175.328 -0.058 0.000 1.315 184 H CA 0.068 55.982 56.048 -0.223 0.000 1.521 184 H CB 0.342 30.073 29.762 -0.053 0.000 1.621 184 H HN 0.416 nan 8.280 nan 0.000 0.498 185 V N 4.596 124.373 119.914 -0.228 0.000 2.346 185 V HA -0.066 4.054 4.120 -0.001 0.000 0.244 185 V C 0.902 176.835 176.094 -0.268 0.000 1.037 185 V CA 1.021 63.218 62.300 -0.173 0.000 1.029 185 V CB -0.198 31.591 31.823 -0.056 0.000 0.663 185 V HN 0.537 nan 8.190 nan 0.000 0.454 186 L N 0.174 121.171 121.223 -0.377 0.000 2.385 186 L HA 0.451 4.790 4.340 -0.001 0.000 0.273 186 L C -0.273 176.454 176.870 -0.237 0.000 0.990 186 L CA -0.277 54.406 54.840 -0.261 0.000 0.821 186 L CB 2.238 44.123 42.059 -0.289 0.000 1.279 186 L HN 0.025 nan 8.230 nan 0.000 0.412 187 K N 2.549 122.962 120.400 0.020 0.000 2.090 187 K HA 0.513 4.833 4.320 -0.001 0.000 0.250 187 K C -0.542 176.136 176.600 0.130 0.000 1.004 187 K CA -0.705 55.715 56.287 0.223 0.000 0.919 187 K CB 0.890 33.537 32.500 0.245 0.000 1.045 187 K HN 0.499 nan 8.250 nan 0.000 0.471 188 L N 3.565 124.814 121.223 0.044 0.000 2.654 188 L HA 0.058 4.397 4.340 -0.001 0.000 0.271 188 L C 0.219 177.076 176.870 -0.021 0.000 1.169 188 L CA 0.091 54.898 54.840 -0.055 0.000 0.947 188 L CB -0.473 41.472 42.059 -0.190 0.000 1.232 188 L HN 0.771 nan 8.230 nan 0.000 0.486 189 T N -1.639 112.900 114.554 -0.025 0.000 2.901 189 T HA 0.359 4.709 4.350 -0.001 0.000 0.293 189 T C 0.646 175.320 174.700 -0.044 0.000 1.084 189 T CA -0.984 61.111 62.100 -0.008 0.000 1.008 189 T CB 1.896 70.790 68.868 0.043 0.000 1.170 189 T HN 0.296 nan 8.240 nan 0.000 0.509 190 N N 1.469 120.155 118.700 -0.023 0.000 2.135 190 N HA -0.025 4.715 4.740 -0.001 0.000 0.186 190 N C 0.664 176.152 175.510 -0.036 0.000 1.027 190 N CA 0.906 53.938 53.050 -0.030 0.000 0.849 190 N CB -0.825 37.654 38.487 -0.013 0.000 1.002 190 N HN 0.851 nan 8.380 nan 0.000 0.425 191 N N 0.602 119.293 118.700 -0.014 0.000 2.305 191 N HA -0.059 4.681 4.740 -0.001 0.000 0.232 191 N C 0.771 176.273 175.510 -0.013 0.000 1.274 191 N CA 0.587 53.634 53.050 -0.005 0.000 0.870 191 N CB 0.372 38.867 38.487 0.014 0.000 1.105 191 N HN 0.162 nan 8.380 nan 0.000 0.436 192 S N -0.954 114.744 115.700 -0.004 0.000 2.741 192 S HA -0.020 4.449 4.470 -0.001 0.000 0.245 192 S C 1.225 175.854 174.600 0.048 0.000 1.083 192 S CA -0.004 58.194 58.200 -0.004 0.000 0.873 192 S CB -0.463 62.716 63.200 -0.034 0.000 0.814 192 S HN 0.697 nan 8.310 nan 0.000 0.476 193 N N 2.158 120.871 118.700 0.022 0.000 2.270 193 N HA -0.114 4.626 4.740 -0.001 0.000 0.181 193 N C 1.722 177.237 175.510 0.007 0.000 1.016 193 N CA 1.556 54.611 53.050 0.008 0.000 0.870 193 N CB -0.721 37.761 38.487 -0.008 0.000 0.979 193 N HN 0.488 nan 8.380 nan 0.000 0.431 194 Q N 0.072 119.885 119.800 0.021 0.000 2.167 194 Q HA -0.002 4.338 4.340 -0.001 0.000 0.202 194 Q C 1.674 177.675 176.000 0.002 0.000 0.970 194 Q CA 0.923 56.728 55.803 0.003 0.000 0.855 194 Q CB -0.579 28.166 28.738 0.013 0.000 0.911 194 Q HN 0.414 nan 8.270 nan 0.000 0.438 195 F N 0.493 120.380 119.950 -0.105 0.000 2.113 195 F HA -0.121 4.405 4.527 -0.001 0.000 0.297 195 F C 1.990 177.678 175.800 -0.188 0.000 1.103 195 F CA 1.704 59.622 58.000 -0.137 0.000 1.248 195 F CB -0.081 38.847 39.000 -0.120 0.000 0.999 195 F HN 0.147 nan 8.300 nan 0.000 0.475 196 Q N -0.583 119.208 119.800 -0.014 0.000 2.050 196 Q HA -0.197 4.142 4.340 -0.001 0.000 0.202 196 Q C 2.192 178.056 176.000 -0.227 0.000 0.980 196 Q CA 2.466 58.188 55.803 -0.135 0.000 0.840 196 Q CB -0.701 28.002 28.738 -0.059 0.000 0.898 196 Q HN 0.545 nan 8.270 nan 0.000 0.424 197 T N -1.107 113.347 114.554 -0.167 0.000 2.962 197 T HA -0.067 4.283 4.350 -0.001 0.000 0.270 197 T C 1.540 176.114 174.700 -0.210 0.000 1.088 197 T CA 0.763 62.766 62.100 -0.161 0.000 1.127 197 T CB 0.046 68.850 68.868 -0.108 0.000 0.883 197 T HN 0.074 nan 8.240 nan 0.000 0.493 198 E N 0.505 120.542 120.200 -0.272 0.000 2.481 198 E HA 0.114 4.464 4.350 -0.001 0.000 0.195 198 E C 2.021 178.373 176.600 -0.413 0.000 1.047 198 E CA 0.171 56.388 56.400 -0.306 0.000 0.867 198 E CB 0.221 29.735 29.700 -0.310 0.000 0.858 198 E HN 0.453 nan 8.360 nan 0.000 0.513 199 V N -0.173 119.434 119.914 -0.513 0.000 2.403 199 V HA -0.023 4.097 4.120 -0.001 0.000 0.239 199 V C 2.345 178.190 176.094 -0.416 0.000 1.041 199 V CA 1.576 63.491 62.300 -0.642 0.000 1.051 199 V CB -0.760 30.549 31.823 -0.856 0.000 0.704 199 V HN 0.273 nan 8.190 nan 0.000 0.472 200 G N 0.427 109.036 108.800 -0.318 0.000 2.507 200 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.221 200 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.221 200 G C 1.539 176.330 174.900 -0.182 0.000 1.119 200 G CA 1.572 46.541 45.100 -0.218 0.000 0.751 200 G HN 0.523 nan 8.290 nan 0.000 0.574 201 K N 0.370 120.656 120.400 -0.191 0.000 2.001 201 K HA -0.199 4.121 4.320 -0.001 0.000 0.223 201 K C 1.078 177.595 176.600 -0.139 0.000 1.055 201 K CA 1.251 57.446 56.287 -0.154 0.000 0.965 201 K CB -0.338 32.063 32.500 -0.164 0.000 0.730 201 K HN 0.419 nan 8.250 nan 0.000 0.449 202 Q N 1.087 120.790 119.800 -0.162 0.000 2.337 202 Q HA 0.165 4.504 4.340 -0.001 0.000 0.270 202 Q C -0.241 175.700 176.000 -0.099 0.000 1.002 202 Q CA -0.163 55.559 55.803 -0.135 0.000 0.888 202 Q CB 0.941 29.585 28.738 -0.156 0.000 1.222 202 Q HN 0.287 nan 8.270 nan 0.000 0.400 203 L N 2.227 123.412 121.223 -0.064 0.000 2.397 203 L HA 0.505 4.844 4.340 -0.001 0.000 0.266 203 L C 0.637 177.522 176.870 0.025 0.000 1.040 203 L CA -1.039 53.783 54.840 -0.030 0.000 0.800 203 L CB 0.666 42.712 42.059 -0.022 0.000 1.324 203 L HN 0.624 nan 8.230 nan 0.000 0.469 204 I N -2.572 118.023 120.570 0.043 0.000 3.363 204 I HA 0.293 4.463 4.170 -0.001 0.000 0.234 204 I C 0.533 176.760 176.117 0.184 0.000 1.263 204 I CA 0.063 61.428 61.300 0.108 0.000 0.921 204 I CB 0.695 38.724 38.000 0.049 0.000 1.614 204 I HN 0.560 nan 8.210 nan 0.000 0.879 205 S N -1.005 114.828 115.700 0.223 0.000 4.323 205 S HA 0.876 5.345 4.470 -0.001 0.000 0.245 205 S C -0.483 174.225 174.600 0.181 0.000 1.102 205 S CA -0.209 58.130 58.200 0.233 0.000 1.550 205 S CB 0.886 64.295 63.200 0.347 0.000 1.359 205 S HN 1.357 nan 8.310 nan 0.000 0.725 206 G N 1.302 110.181 108.800 0.132 0.000 2.377 206 G HA2 0.463 4.423 3.960 -0.001 0.000 0.297 206 G HA3 0.463 4.423 3.960 -0.001 0.000 0.297 206 G C -2.040 172.904 174.900 0.073 0.000 1.547 206 G CA -0.246 44.917 45.100 0.105 0.000 0.833 206 G HN 1.041 nan 8.290 nan 0.000 0.583 207 N N -0.875 117.865 118.700 0.066 0.000 2.972 207 N HA 0.595 5.335 4.740 -0.001 0.000 0.262 207 N C 0.379 175.922 175.510 0.055 0.000 1.478 207 N CA -0.988 52.102 53.050 0.066 0.000 0.841 207 N CB 0.883 39.418 38.487 0.079 0.000 1.512 207 N HN 0.363 nan 8.380 nan 0.000 0.548 208 L N -0.733 120.520 121.223 0.050 0.000 2.121 208 L HA 0.135 4.474 4.340 -0.001 0.000 0.200 208 L C 0.108 176.986 176.870 0.013 0.000 1.132 208 L CA 0.499 55.352 54.840 0.022 0.000 0.782 208 L CB -0.677 41.386 42.059 0.006 0.000 0.940 208 L HN 0.756 nan 8.230 nan 0.000 0.458 209 D N 0.898 121.288 120.400 -0.017 0.000 2.515 209 D HA -0.066 4.573 4.640 -0.001 0.000 0.232 209 D C 0.728 177.059 176.300 0.051 0.000 1.157 209 D CA 0.674 54.655 54.000 -0.031 0.000 0.871 209 D CB 1.162 41.873 40.800 -0.149 0.000 1.200 209 D HN 0.278 nan 8.370 nan 0.000 0.466 210 A N 3.007 125.858 122.820 0.051 0.000 1.832 210 A HA 0.071 4.391 4.320 -0.001 0.000 0.214 210 A C -1.306 176.360 177.584 0.137 0.000 1.200 210 A CA 0.678 52.760 52.037 0.074 0.000 0.610 210 A CB -1.649 17.374 19.000 0.038 0.000 0.842 210 A HN 0.586 nan 8.150 nan 0.000 0.444 211 P HA 0.161 nan 4.420 nan 0.000 0.270 211 P C -0.102 177.440 177.300 0.403 0.000 1.227 211 P CA 0.079 63.307 63.100 0.213 0.000 0.788 211 P CB 0.355 32.030 31.700 -0.041 0.000 0.926 212 E N -0.131 120.342 120.200 0.455 0.000 2.267 212 E HA 0.424 4.774 4.350 -0.001 0.000 0.258 212 E C 0.667 177.613 176.600 0.576 0.000 1.074 212 E CA -0.610 56.074 56.400 0.474 0.000 0.915 212 E CB 0.651 30.653 29.700 0.502 0.000 1.186 212 E HN 0.508 nan 8.360 nan 0.000 0.439 213 G N -0.316 108.750 108.800 0.444 0.000 4.637 213 G HA2 0.293 4.252 3.960 -0.001 0.000 0.308 213 G HA3 0.293 4.252 3.960 -0.001 0.000 0.308 213 G C 0.795 175.902 174.900 0.345 0.000 1.377 213 G CA 0.016 45.407 45.100 0.485 0.000 1.176 213 G HN 0.456 nan 8.290 nan 0.000 0.601 214 G N 0.447 109.470 108.800 0.371 0.000 2.484 214 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.218 214 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.218 214 G C 1.588 176.478 174.900 -0.016 0.000 1.130 214 G CA 0.227 45.339 45.100 0.020 0.000 0.784 214 G HN 0.471 nan 8.290 nan 0.000 0.543 215 L N 0.368 121.691 121.223 0.167 0.000 2.083 215 L HA -0.077 4.263 4.340 -0.001 0.000 0.209 215 L C 2.516 179.400 176.870 0.023 0.000 1.083 215 L CA 1.211 56.118 54.840 0.112 0.000 0.752 215 L CB -0.284 41.942 42.059 0.277 0.000 0.899 215 L HN 0.150 nan 8.230 nan 0.000 0.433 216 D N 0.345 120.739 120.400 -0.010 0.000 2.144 216 D HA -0.169 4.471 4.640 -0.001 0.000 0.199 216 D C 2.119 178.283 176.300 -0.227 0.000 0.984 216 D CA 1.377 55.303 54.000 -0.124 0.000 0.834 216 D CB 0.286 40.901 40.800 -0.307 0.000 0.955 216 D HN 0.264 nan 8.370 nan 0.000 0.465 217 A N 0.577 123.246 122.820 -0.251 0.000 1.933 217 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 217 A C 2.223 179.542 177.584 -0.442 0.000 1.175 217 A CA 1.523 53.324 52.037 -0.393 0.000 0.628 217 A CB -0.436 18.473 19.000 -0.152 0.000 0.814 217 A HN 0.185 nan 8.150 nan 0.000 0.444 218 M N -0.833 118.614 119.600 -0.255 0.000 2.163 218 M HA -0.202 4.278 4.480 -0.001 0.000 0.258 218 M C 2.317 178.466 176.300 -0.251 0.000 1.071 218 M CA 1.658 56.836 55.300 -0.203 0.000 1.093 218 M CB -1.388 31.128 32.600 -0.140 0.000 1.285 218 M HN 0.342 nan 8.290 nan 0.000 0.420 219 M N 0.121 119.592 119.600 -0.215 0.000 2.065 219 M HA -0.218 4.262 4.480 -0.001 0.000 0.259 219 M C 2.178 178.299 176.300 -0.300 0.000 1.071 219 M CA 1.805 56.983 55.300 -0.204 0.000 1.109 219 M CB -1.549 30.987 32.600 -0.107 0.000 1.313 219 M HN 0.393 nan 8.290 nan 0.000 0.408 220 Q N -0.479 119.073 119.800 -0.412 0.000 2.217 220 Q HA -0.170 4.169 4.340 -0.001 0.000 0.209 220 Q C 2.152 177.859 176.000 -0.487 0.000 0.988 220 Q CA 1.467 56.966 55.803 -0.506 0.000 0.878 220 Q CB -0.386 27.932 28.738 -0.699 0.000 0.909 220 Q HN 0.352 nan 8.270 nan 0.000 0.424 221 V N 0.725 120.318 119.914 -0.535 0.000 2.221 221 V HA -0.178 3.941 4.120 -0.001 0.000 0.242 221 V C 1.320 177.311 176.094 -0.172 0.000 1.041 221 V CA 1.661 63.808 62.300 -0.255 0.000 0.995 221 V CB -0.581 31.104 31.823 -0.230 0.000 0.635 221 V HN 0.347 nan 8.190 nan 0.000 0.448 222 A N -0.987 121.669 122.820 -0.274 0.000 3.135 222 A HA 0.665 4.985 4.320 -0.001 0.000 0.253 222 A C 1.014 178.433 177.584 -0.275 0.000 1.638 222 A CA 0.693 52.516 52.037 -0.357 0.000 1.295 222 A CB -0.347 18.388 19.000 -0.441 0.000 1.106 222 A HN 0.541 nan 8.150 nan 0.000 0.648 223 A N -0.602 122.086 122.820 -0.220 0.000 1.917 223 A HA 0.340 4.660 4.320 -0.001 0.000 0.200 223 A C 0.927 178.411 177.584 -0.166 0.000 1.671 223 A CA 1.044 52.960 52.037 -0.200 0.000 1.034 223 A CB -0.037 18.823 19.000 -0.234 0.000 1.057 223 A HN 1.440 nan 8.150 nan 0.000 0.507 224 c N -2.577 115.943 118.600 -0.132 0.000 3.452 224 c HA 0.585 5.155 4.570 -0.001 0.000 0.251 224 c C -2.629 171.450 174.090 -0.018 0.000 1.160 224 c CA -1.584 54.692 56.329 -0.088 0.000 1.328 224 c CB 0.103 42.539 42.510 -0.123 0.000 1.819 224 c HN 0.199 nan 8.230 nan 0.000 0.543 225 P HA -0.007 nan 4.420 nan 0.000 0.244 225 P C 1.238 178.584 177.300 0.077 0.000 1.211 225 P CA 1.154 64.340 63.100 0.144 0.000 0.760 225 P CB -0.002 31.859 31.700 0.268 0.000 0.961 226 E N -0.082 120.136 120.200 0.030 0.000 2.472 226 E HA -0.130 4.220 4.350 -0.001 0.000 0.200 226 E C 0.940 177.551 176.600 0.019 0.000 1.046 226 E CA 0.785 57.198 56.400 0.022 0.000 0.871 226 E CB -0.003 29.702 29.700 0.009 0.000 0.806 226 E HN 0.504 nan 8.360 nan 0.000 0.533 227 E N -1.092 119.114 120.200 0.011 0.000 2.603 227 E HA 0.157 4.507 4.350 -0.001 0.000 0.218 227 E C 1.419 177.997 176.600 -0.036 0.000 0.878 227 E CA -0.025 56.374 56.400 -0.002 0.000 1.348 227 E CB 0.722 30.419 29.700 -0.005 0.000 1.318 227 E HN 0.103 nan 8.360 nan 0.000 0.673 228 I N 0.359 120.906 120.570 -0.040 0.000 3.616 228 I HA 0.219 4.388 4.170 -0.001 0.000 0.296 228 I C 0.831 176.931 176.117 -0.028 0.000 1.226 228 I CA 0.408 61.627 61.300 -0.136 0.000 1.394 228 I CB 0.792 38.714 38.000 -0.131 0.000 1.171 228 I HN 0.102 nan 8.210 nan 0.000 0.442 229 G N 1.112 109.954 108.800 0.070 0.000 2.850 229 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.686 229 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.686 229 G C -1.359 173.545 174.900 0.005 0.000 1.164 229 G CA -0.704 44.438 45.100 0.069 0.000 0.826 229 G HN 0.222 nan 8.290 nan 0.000 0.586 230 W N 1.120 122.438 121.300 0.030 0.000 3.296 230 W HA 0.648 5.307 4.660 -0.001 0.000 0.314 230 W C 0.144 176.679 176.519 0.027 0.000 1.238 230 W CA -1.115 56.249 57.345 0.031 0.000 1.193 230 W CB 1.625 31.084 29.460 -0.002 0.000 1.383 230 W HN 0.820 nan 8.180 nan 0.000 0.545 231 R N 1.659 122.332 120.500 0.288 0.000 2.694 231 R HA 0.101 4.440 4.340 -0.001 0.000 0.268 231 R C 0.805 177.213 176.300 0.180 0.000 1.061 231 R CA 0.386 56.597 56.100 0.186 0.000 1.133 231 R CB 0.371 30.763 30.300 0.154 0.000 1.020 231 R HN 0.420 nan 8.270 nan 0.000 0.475 232 N N 1.724 120.491 118.700 0.112 0.000 2.370 232 N HA 0.042 4.781 4.740 -0.001 0.000 0.198 232 N C -0.130 175.409 175.510 0.047 0.000 1.156 232 N CA 0.180 53.273 53.050 0.072 0.000 0.839 232 N CB 0.383 38.901 38.487 0.051 0.000 0.989 232 N HN 0.370 nan 8.380 nan 0.000 0.468 233 V N -1.795 118.162 119.914 0.070 0.000 3.945 233 V HA 0.288 4.407 4.120 -0.001 0.000 0.196 233 V C 0.613 176.737 176.094 0.051 0.000 1.110 233 V CA 0.280 62.606 62.300 0.042 0.000 1.411 233 V CB -0.024 31.850 31.823 0.086 0.000 1.707 233 V HN 0.062 nan 8.190 nan 0.000 0.477 234 T N 1.669 116.291 114.554 0.113 0.000 2.925 234 T HA 0.661 5.010 4.350 -0.001 0.000 0.285 234 T C -0.562 174.241 174.700 0.172 0.000 1.021 234 T CA -0.388 61.783 62.100 0.117 0.000 1.042 234 T CB 1.151 70.120 68.868 0.168 0.000 1.037 234 T HN 0.314 nan 8.240 nan 0.000 0.481 235 R N 1.875 122.450 120.500 0.125 0.000 2.810 235 R HA 0.342 4.682 4.340 -0.001 0.000 0.280 235 R C -1.779 174.586 176.300 0.109 0.000 1.517 235 R CA -0.712 55.524 56.100 0.226 0.000 1.063 235 R CB 0.660 30.944 30.300 -0.026 0.000 1.275 235 R HN 0.258 nan 8.270 nan 0.000 0.464 236 L N 3.269 124.595 121.223 0.173 0.000 2.307 236 L HA 0.512 4.851 4.340 -0.001 0.000 0.284 236 L C -0.464 176.504 176.870 0.164 0.000 1.023 236 L CA -0.552 54.335 54.840 0.079 0.000 0.810 236 L CB 1.317 43.384 42.059 0.012 0.000 1.231 236 L HN 0.343 nan 8.230 nan 0.000 0.423 237 L N 2.875 124.147 121.223 0.082 0.000 2.298 237 L HA 0.787 5.126 4.340 -0.001 0.000 0.268 237 L C -0.699 176.185 176.870 0.023 0.000 1.010 237 L CA -0.708 54.211 54.840 0.132 0.000 0.812 237 L CB 2.145 44.266 42.059 0.102 0.000 1.331 237 L HN 0.290 nan 8.230 nan 0.000 0.450 238 V N 1.081 121.013 119.914 0.031 0.000 2.610 238 V HA 0.437 4.556 4.120 -0.001 0.000 0.298 238 V C -1.347 174.707 176.094 -0.068 0.000 1.067 238 V CA -0.471 61.789 62.300 -0.066 0.000 0.894 238 V CB 1.252 33.020 31.823 -0.091 0.000 1.015 238 V HN 0.489 nan 8.190 nan 0.000 0.432 239 F N 5.801 125.625 119.950 -0.212 0.000 2.399 239 F HA 0.788 5.315 4.527 -0.001 0.000 0.342 239 F C 0.504 176.241 175.800 -0.105 0.000 1.106 239 F CA 0.543 58.467 58.000 -0.127 0.000 1.196 239 F CB 1.537 40.435 39.000 -0.169 0.000 1.163 239 F HN 0.786 nan 8.300 nan 0.000 0.547 240 A N 3.743 126.315 122.820 -0.413 0.000 2.442 240 A HA 0.613 4.932 4.320 -0.001 0.000 0.284 240 A C -0.841 176.610 177.584 -0.222 0.000 1.058 240 A CA -0.343 51.552 52.037 -0.235 0.000 0.738 240 A CB 1.344 20.179 19.000 -0.275 0.000 1.242 240 A HN 0.736 nan 8.150 nan 0.000 0.421 241 T N 1.221 115.766 114.554 -0.015 0.000 3.289 241 T HA 0.405 4.755 4.350 -0.001 0.000 0.370 241 T C -1.755 173.060 174.700 0.191 0.000 1.546 241 T CA -0.041 62.108 62.100 0.082 0.000 1.144 241 T CB 0.939 69.931 68.868 0.206 0.000 1.379 241 T HN 0.791 nan 8.240 nan 0.000 0.478 242 D N 2.889 123.379 120.400 0.151 0.000 3.072 242 D HA 0.386 5.026 4.640 -0.001 0.000 0.250 242 D C -0.145 176.264 176.300 0.181 0.000 1.304 242 D CA -0.185 53.911 54.000 0.161 0.000 0.861 242 D CB 0.129 40.997 40.800 0.113 0.000 1.062 242 D HN 0.418 nan 8.370 nan 0.000 0.481 243 D N -1.311 119.242 120.400 0.254 0.000 2.665 243 D HA 0.400 5.039 4.640 -0.001 0.000 0.287 243 D C 0.663 177.176 176.300 0.355 0.000 1.266 243 D CA -0.816 53.338 54.000 0.257 0.000 0.830 243 D CB 1.305 42.249 40.800 0.241 0.000 1.356 243 D HN 0.145 nan 8.370 nan 0.000 0.437 244 G N -0.513 108.464 108.800 0.294 0.000 2.481 244 G HA2 0.481 4.440 3.960 -0.001 0.000 0.251 244 G HA3 0.481 4.440 3.960 -0.001 0.000 0.251 244 G C -0.656 174.595 174.900 0.585 0.000 1.492 244 G CA 0.046 45.352 45.100 0.343 0.000 1.060 244 G HN 0.424 nan 8.290 nan 0.000 0.553 245 F N -3.019 116.987 119.950 0.094 0.000 2.639 245 F HA 0.544 5.071 4.527 -0.000 0.000 0.326 245 F C -1.297 174.487 175.800 -0.025 0.000 1.150 245 F CA -1.660 56.450 58.000 0.183 0.000 1.057 245 F CB 0.291 39.423 39.000 0.221 0.000 1.300 245 F HN 0.420 nan 8.300 nan 0.000 0.486 246 H N 3.419 122.457 119.070 -0.053 0.000 2.473 246 H HA 0.716 5.272 4.556 -0.001 0.000 0.327 246 H C -0.561 174.588 175.328 -0.299 0.000 1.105 246 H CA -0.272 55.491 56.048 -0.475 0.000 1.280 246 H CB 1.253 30.698 29.762 -0.528 0.000 1.450 246 H HN 0.592 nan 8.280 nan 0.000 0.492 247 F N -0.197 119.674 119.950 -0.132 0.000 2.712 247 F HA 0.790 5.317 4.527 -0.001 0.000 0.367 247 F C 0.337 176.124 175.800 -0.022 0.000 1.132 247 F CA -1.892 56.110 58.000 0.003 0.000 1.066 247 F CB 0.081 39.077 39.000 -0.008 0.000 1.416 247 F HN 0.543 nan 8.300 nan 0.000 0.515 248 A N 0.095 123.115 122.820 0.333 0.000 2.583 248 A HA 0.385 4.705 4.320 -0.001 0.000 0.231 248 A C 1.439 179.110 177.584 0.145 0.000 1.065 248 A CA 1.111 53.263 52.037 0.192 0.000 0.760 248 A CB -1.239 17.836 19.000 0.125 0.000 1.001 248 A HN 2.246 nan 8.150 nan 0.000 0.509 249 G N 0.744 109.588 108.800 0.074 0.000 2.284 249 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.230 249 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.230 249 G C 0.537 175.444 174.900 0.012 0.000 1.021 249 G CA 0.878 46.005 45.100 0.045 0.000 0.619 249 G HN 0.700 nan 8.290 nan 0.000 0.510 250 D N 0.966 121.344 120.400 -0.036 0.000 2.277 250 D HA 0.181 4.821 4.640 -0.001 0.000 0.208 250 D C 2.361 178.745 176.300 0.139 0.000 0.962 250 D CA 1.350 55.336 54.000 -0.023 0.000 0.865 250 D CB -0.745 39.980 40.800 -0.124 0.000 0.939 250 D HN 0.557 nan 8.370 nan 0.000 0.510 251 G N 0.773 109.663 108.800 0.149 0.000 2.471 251 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.219 251 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.219 251 G C 1.487 176.467 174.900 0.134 0.000 1.125 251 G CA 0.412 45.632 45.100 0.199 0.000 0.775 251 G HN 0.257 nan 8.290 nan 0.000 0.548 252 K N 0.009 120.459 120.400 0.084 0.000 2.281 252 K HA 0.030 4.350 4.320 -0.001 0.000 0.203 252 K C 2.259 178.898 176.600 0.064 0.000 1.046 252 K CA 0.556 56.877 56.287 0.056 0.000 0.938 252 K CB -0.197 32.321 32.500 0.030 0.000 0.737 252 K HN 0.362 nan 8.250 nan 0.000 0.458 253 L N -0.701 120.574 121.223 0.087 0.000 2.093 253 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 253 L C 2.099 179.034 176.870 0.108 0.000 1.085 253 L CA 1.213 56.095 54.840 0.071 0.000 0.755 253 L CB -0.296 41.782 42.059 0.031 0.000 0.904 253 L HN 0.258 nan 8.230 nan 0.000 0.435 254 G N -1.202 107.707 108.800 0.181 0.000 3.327 254 G HA2 0.324 4.284 3.960 -0.001 0.000 0.240 254 G HA3 0.324 4.284 3.960 -0.001 0.000 0.240 254 G C 0.930 175.893 174.900 0.105 0.000 1.222 254 G CA 0.308 45.508 45.100 0.167 0.000 0.871 254 G HN 0.408 nan 8.290 nan 0.000 0.525 255 A N -0.295 122.573 122.820 0.080 0.000 2.869 255 A HA -0.189 4.131 4.320 -0.001 0.000 0.280 255 A C 0.467 178.082 177.584 0.052 0.000 1.458 255 A CA 1.147 53.219 52.037 0.057 0.000 0.776 255 A CB -2.501 16.531 19.000 0.053 0.000 1.028 255 A HN 1.399 nan 8.150 nan 0.000 0.547 256 I N -4.039 116.564 120.570 0.055 0.000 2.439 256 I HA 0.692 4.861 4.170 -0.001 0.000 0.283 256 I C 0.028 176.157 176.117 0.020 0.000 1.023 256 I CA -1.086 60.237 61.300 0.038 0.000 1.100 256 I CB 1.544 39.567 38.000 0.039 0.000 1.238 256 I HN -0.082 nan 8.210 nan 0.000 0.445 257 L N 5.139 126.368 121.223 0.009 0.000 3.110 257 L HA 0.244 4.584 4.340 -0.001 0.000 0.266 257 L C 0.674 177.534 176.870 -0.017 0.000 1.257 257 L CA 0.184 55.023 54.840 -0.003 0.000 1.038 257 L CB 0.467 42.529 42.059 0.005 0.000 1.395 257 L HN 0.755 nan 8.230 nan 0.000 0.566 258 T N -1.402 113.135 114.554 -0.028 0.000 2.762 258 T HA 0.488 4.838 4.350 -0.001 0.000 0.303 258 T C -2.352 172.282 174.700 -0.109 0.000 0.977 258 T CA -1.862 60.218 62.100 -0.033 0.000 0.961 258 T CB 0.739 69.613 68.868 0.009 0.000 0.944 258 T HN -0.123 nan 8.240 nan 0.000 0.481 259 P HA 0.049 nan 4.420 nan 0.000 0.273 259 P C -0.080 177.082 177.300 -0.230 0.000 1.258 259 P CA -0.544 62.466 63.100 -0.149 0.000 0.802 259 P CB 0.556 32.216 31.700 -0.066 0.000 1.040 260 N N 1.055 119.613 118.700 -0.237 0.000 2.458 260 N HA -0.027 4.713 4.740 -0.001 0.000 0.270 260 N C 0.797 176.401 175.510 0.156 0.000 1.102 260 N CA -0.027 52.969 53.050 -0.089 0.000 0.967 260 N CB 0.318 38.786 38.487 -0.033 0.000 1.078 260 N HN 0.336 nan 8.380 nan 0.000 0.471 261 D N 3.147 123.749 120.400 0.338 0.000 2.120 261 D HA 0.021 4.660 4.640 -0.001 0.000 0.202 261 D C 1.121 177.506 176.300 0.142 0.000 0.972 261 D CA 1.439 55.560 54.000 0.201 0.000 0.837 261 D CB -0.165 40.765 40.800 0.217 0.000 0.989 261 D HN 0.731 nan 8.370 nan 0.000 0.469 262 G N 0.055 108.943 108.800 0.146 0.000 2.336 262 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.194 262 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.194 262 G C 0.268 175.139 174.900 -0.048 0.000 0.999 262 G CA -0.221 44.908 45.100 0.047 0.000 0.669 262 G HN 0.403 nan 8.290 nan 0.000 0.482 263 R N 0.525 120.985 120.500 -0.066 0.000 2.514 263 R HA 0.594 4.933 4.340 -0.001 0.000 0.301 263 R C 0.673 176.672 176.300 -0.502 0.000 0.962 263 R CA -0.050 55.904 56.100 -0.243 0.000 0.882 263 R CB 1.616 31.800 30.300 -0.193 0.000 1.143 263 R HN 0.574 nan 8.270 nan 0.000 0.452 264 c N 1.584 119.865 118.600 -0.531 0.000 2.466 264 c HA 0.480 5.050 4.570 -0.001 0.000 0.379 264 c C -0.064 173.619 174.090 -0.679 0.000 1.251 264 c CA -0.684 55.351 56.329 -0.490 0.000 2.263 264 c CB 0.304 42.641 42.510 -0.289 0.000 2.511 264 c HN 0.778 nan 8.230 nan 0.000 0.573 265 H N 4.194 123.213 119.070 -0.085 0.000 2.607 265 H HA 0.403 4.958 4.556 -0.001 0.000 0.248 265 H C -0.568 174.753 175.328 -0.012 0.000 1.355 265 H CA -0.155 55.867 56.048 -0.043 0.000 1.524 265 H CB 0.678 30.408 29.762 -0.053 0.000 1.563 265 H HN 0.781 nan 8.280 nan 0.000 0.509 266 L N -1.267 120.003 121.223 0.079 0.000 2.352 266 L HA 0.547 4.886 4.340 -0.001 0.000 0.269 266 L C 1.061 177.970 176.870 0.063 0.000 1.034 266 L CA -0.365 54.527 54.840 0.086 0.000 0.806 266 L CB 1.604 43.737 42.059 0.124 0.000 1.244 266 L HN 0.161 nan 8.230 nan 0.000 0.447 267 E N 0.199 120.427 120.200 0.048 0.000 2.508 267 E HA 0.035 4.384 4.350 -0.001 0.000 0.217 267 E C -0.689 175.928 176.600 0.028 0.000 0.896 267 E CA 0.555 56.975 56.400 0.033 0.000 1.118 267 E CB 0.636 30.348 29.700 0.020 0.000 1.133 267 E HN 0.962 nan 8.360 nan 0.000 0.526 268 D N 0.158 120.577 120.400 0.031 0.000 2.997 268 D HA 0.111 4.750 4.640 -0.001 0.000 0.362 268 D C -0.304 176.022 176.300 0.044 0.000 1.298 268 D CA -0.582 53.434 54.000 0.026 0.000 0.756 268 D CB -0.805 39.997 40.800 0.004 0.000 1.216 268 D HN -0.161 nan 8.370 nan 0.000 0.496 269 N N 0.342 119.086 118.700 0.073 0.000 2.696 269 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 269 N C -0.605 174.970 175.510 0.108 0.000 1.090 269 N CA 0.705 53.822 53.050 0.112 0.000 0.716 269 N CB -0.912 37.657 38.487 0.136 0.000 1.020 269 N HN 0.682 nan 8.380 nan 0.000 0.548 270 L N 0.273 121.569 121.223 0.121 0.000 2.543 270 L HA 0.328 4.668 4.340 -0.001 0.000 0.265 270 L C -0.276 176.693 176.870 0.164 0.000 0.945 270 L CA -1.171 53.761 54.840 0.153 0.000 0.869 270 L CB 1.075 43.158 42.059 0.040 0.000 1.294 270 L HN 0.155 nan 8.230 nan 0.000 0.405 271 Y N 3.299 123.727 120.300 0.213 0.000 2.712 271 Y HA 0.263 4.813 4.550 -0.001 0.000 0.333 271 Y C -0.151 175.806 175.900 0.095 0.000 1.225 271 Y CA 0.012 58.203 58.100 0.152 0.000 1.499 271 Y CB 0.469 39.033 38.460 0.172 0.000 1.288 271 Y HN 0.541 nan 8.280 nan 0.000 0.575 272 K N 4.202 124.538 120.400 -0.107 0.000 2.895 272 K HA 0.245 4.565 4.320 -0.001 0.000 0.200 272 K C 0.277 176.877 176.600 -0.001 0.000 1.133 272 K CA -0.273 55.912 56.287 -0.171 0.000 1.060 272 K CB 0.573 32.989 32.500 -0.140 0.000 0.735 272 K HN 0.661 nan 8.250 nan 0.000 0.451 273 R N -0.492 120.062 120.500 0.089 0.000 2.412 273 R HA 0.040 4.380 4.340 -0.001 0.000 0.212 273 R C 1.970 178.333 176.300 0.106 0.000 0.878 273 R CA 0.717 56.851 56.100 0.056 0.000 1.022 273 R CB -0.034 30.249 30.300 -0.027 0.000 1.265 273 R HN 0.171 nan 8.270 nan 0.000 0.620 274 S N 1.592 117.401 115.700 0.181 0.000 2.440 274 S HA -0.146 4.324 4.470 -0.001 0.000 0.240 274 S C 1.367 176.083 174.600 0.192 0.000 1.014 274 S CA 1.367 59.674 58.200 0.178 0.000 0.980 274 S CB -0.196 63.026 63.200 0.038 0.000 0.775 274 S HN 0.178 nan 8.310 nan 0.000 0.499 275 N N 1.928 120.742 118.700 0.189 0.000 2.207 275 N HA 0.023 4.762 4.740 -0.001 0.000 0.182 275 N C 0.593 176.174 175.510 0.119 0.000 1.020 275 N CA 1.182 54.308 53.050 0.127 0.000 0.858 275 N CB -0.431 38.123 38.487 0.112 0.000 0.991 275 N HN 0.581 nan 8.380 nan 0.000 0.427 276 E N -0.126 120.157 120.200 0.137 0.000 2.351 276 E HA 0.217 4.567 4.350 -0.001 0.000 0.236 276 E C -0.960 175.768 176.600 0.213 0.000 1.341 276 E CA -0.173 56.304 56.400 0.129 0.000 1.579 276 E CB -0.483 29.273 29.700 0.094 0.000 1.393 276 E HN 0.228 nan 8.360 nan 0.000 0.438 277 F N -0.318 119.627 119.950 -0.008 0.000 2.669 277 F HA 0.300 4.826 4.527 -0.001 0.000 0.315 277 F C -1.579 174.186 175.800 -0.059 0.000 1.109 277 F CA -1.226 56.760 58.000 -0.024 0.000 1.028 277 F CB 1.396 40.383 39.000 -0.022 0.000 1.287 277 F HN -0.185 nan 8.300 nan 0.000 0.452 278 D N 2.551 122.432 120.400 -0.865 0.000 2.388 278 D HA 0.279 4.918 4.640 -0.001 0.000 0.254 278 D C -1.038 174.776 176.300 -0.810 0.000 1.111 278 D CA 0.136 53.792 54.000 -0.574 0.000 0.993 278 D CB 0.784 41.400 40.800 -0.307 0.000 1.118 278 D HN 0.474 nan 8.370 nan 0.000 0.502 279 Y N 0.545 120.632 120.300 -0.353 0.000 2.411 279 Y HA 0.216 4.766 4.550 -0.001 0.000 0.333 279 Y C -1.450 174.373 175.900 -0.128 0.000 1.186 279 Y CA -1.546 56.452 58.100 -0.170 0.000 1.381 279 Y CB 0.552 38.989 38.460 -0.038 0.000 1.273 279 Y HN 0.242 nan 8.280 nan 0.000 0.546 280 P HA -0.032 nan 4.420 nan 0.000 0.263 280 P C -0.517 176.867 177.300 0.140 0.000 1.195 280 P CA -0.138 63.023 63.100 0.103 0.000 0.762 280 P CB 0.466 32.234 31.700 0.113 0.000 0.799 281 S N 2.273 118.023 115.700 0.083 0.000 2.572 281 S HA -0.031 4.439 4.470 -0.001 0.000 0.267 281 S C 1.420 176.055 174.600 0.058 0.000 1.361 281 S CA -0.257 57.987 58.200 0.074 0.000 1.009 281 S CB 0.298 63.506 63.200 0.014 0.000 0.888 281 S HN 0.313 nan 8.310 nan 0.000 0.553 282 V N 2.397 122.306 119.914 -0.008 0.000 2.332 282 V HA 0.010 4.130 4.120 -0.001 0.000 0.248 282 V C 2.055 178.126 176.094 -0.038 0.000 1.055 282 V CA 2.585 64.854 62.300 -0.052 0.000 1.038 282 V CB -1.382 30.303 31.823 -0.229 0.000 0.651 282 V HN 1.079 nan 8.190 nan 0.000 0.450 283 G N -1.502 107.265 108.800 -0.054 0.000 2.985 283 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.209 283 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.209 283 G C 1.253 176.137 174.900 -0.028 0.000 1.165 283 G CA 0.500 45.569 45.100 -0.050 0.000 0.776 283 G HN 0.607 nan 8.290 nan 0.000 0.541 284 Q N -0.285 119.510 119.800 -0.009 0.000 2.415 284 Q HA 0.280 4.620 4.340 -0.001 0.000 0.206 284 Q C 1.641 177.650 176.000 0.016 0.000 0.946 284 Q CA 0.151 55.961 55.803 0.012 0.000 0.951 284 Q CB -0.031 28.720 28.738 0.020 0.000 1.026 284 Q HN 0.499 nan 8.270 nan 0.000 0.510 285 L N -1.545 119.674 121.223 -0.007 0.000 2.435 285 L HA 0.292 4.632 4.340 -0.001 0.000 0.195 285 L C 2.201 179.037 176.870 -0.058 0.000 1.072 285 L CA 0.595 55.409 54.840 -0.042 0.000 0.833 285 L CB -0.541 41.486 42.059 -0.053 0.000 1.081 285 L HN 0.141 nan 8.230 nan 0.000 0.485 286 A N -0.622 122.169 122.820 -0.049 0.000 2.148 286 A HA -0.275 4.045 4.320 -0.001 0.000 0.222 286 A C 2.072 179.622 177.584 -0.056 0.000 1.161 286 A CA 1.875 53.868 52.037 -0.073 0.000 0.662 286 A CB -0.945 18.011 19.000 -0.073 0.000 0.799 286 A HN 0.564 nan 8.150 nan 0.000 0.466 287 H N -1.162 117.835 119.070 -0.121 0.000 2.315 287 H HA 0.029 4.585 4.556 -0.001 0.000 0.318 287 H C 2.158 177.413 175.328 -0.121 0.000 1.068 287 H CA 1.445 57.422 56.048 -0.118 0.000 1.465 287 H CB 0.030 29.735 29.762 -0.096 0.000 1.475 287 H HN 0.342 nan 8.280 nan 0.000 0.597 288 K N 1.106 121.421 120.400 -0.142 0.000 2.009 288 K HA -0.128 4.192 4.320 -0.001 0.000 0.210 288 K C 2.416 178.872 176.600 -0.240 0.000 1.049 288 K CA 1.489 57.648 56.287 -0.212 0.000 0.929 288 K CB -0.910 31.538 32.500 -0.086 0.000 0.714 288 K HN 0.236 nan 8.250 nan 0.000 0.440 289 L N 0.594 121.699 121.223 -0.198 0.000 1.971 289 L HA -0.103 4.237 4.340 -0.001 0.000 0.215 289 L C 2.062 178.783 176.870 -0.247 0.000 1.072 289 L CA 2.513 57.218 54.840 -0.225 0.000 0.758 289 L CB -1.147 40.799 42.059 -0.188 0.000 0.889 289 L HN 0.261 nan 8.230 nan 0.000 0.433 290 A N -1.558 121.124 122.820 -0.229 0.000 2.209 290 A HA -0.165 4.154 4.320 -0.001 0.000 0.212 290 A C 2.231 179.664 177.584 -0.251 0.000 1.158 290 A CA 1.290 53.187 52.037 -0.234 0.000 0.742 290 A CB -0.679 18.190 19.000 -0.218 0.000 0.790 290 A HN 0.677 nan 8.150 nan 0.000 0.472 291 E N -0.005 120.021 120.200 -0.289 0.000 2.170 291 E HA -0.082 4.267 4.350 -0.001 0.000 0.191 291 E C 0.504 176.960 176.600 -0.240 0.000 0.981 291 E CA 0.636 56.866 56.400 -0.284 0.000 0.830 291 E CB 0.006 29.483 29.700 -0.371 0.000 0.775 291 E HN 0.495 nan 8.360 nan 0.000 0.470 292 N N 1.269 119.809 118.700 -0.267 0.000 2.276 292 N HA 0.049 4.788 4.740 -0.001 0.000 0.212 292 N C -0.846 174.487 175.510 -0.294 0.000 1.127 292 N CA 0.212 53.093 53.050 -0.282 0.000 0.834 292 N CB 0.087 38.361 38.487 -0.355 0.000 1.014 292 N HN 0.218 nan 8.380 nan 0.000 0.491 293 N N 0.093 118.634 118.700 -0.264 0.000 2.740 293 N HA -0.179 4.561 4.740 -0.001 0.000 0.248 293 N C -1.077 174.270 175.510 -0.273 0.000 1.062 293 N CA 0.313 53.205 53.050 -0.263 0.000 0.704 293 N CB -1.148 37.206 38.487 -0.222 0.000 0.968 293 N HN 0.340 nan 8.380 nan 0.000 0.547 294 I N 0.482 120.873 120.570 -0.298 0.000 2.493 294 I HA 0.336 4.506 4.170 -0.001 0.000 0.298 294 I C -0.256 175.724 176.117 -0.229 0.000 0.998 294 I CA -0.626 60.498 61.300 -0.292 0.000 1.137 294 I CB 1.723 39.477 38.000 -0.410 0.000 1.310 294 I HN -0.006 nan 8.210 nan 0.000 0.445 295 Q N 5.820 125.510 119.800 -0.184 0.000 2.350 295 Q HA 0.391 4.730 4.340 -0.001 0.000 0.255 295 Q C -2.583 173.301 176.000 -0.194 0.000 0.951 295 Q CA -1.841 53.853 55.803 -0.182 0.000 0.751 295 Q CB 2.118 30.764 28.738 -0.154 0.000 1.296 295 Q HN 0.235 nan 8.270 nan 0.000 0.453 296 P HA 0.199 nan 4.420 nan 0.000 0.270 296 P C -0.231 176.800 177.300 -0.449 0.000 1.223 296 P CA 0.037 62.935 63.100 -0.337 0.000 0.785 296 P CB 0.771 32.184 31.700 -0.477 0.000 0.923 297 I N 2.210 122.557 120.570 -0.371 0.000 2.437 297 I HA 0.241 4.411 4.170 -0.001 0.000 0.279 297 I C -0.270 175.688 176.117 -0.265 0.000 1.028 297 I CA -0.773 60.346 61.300 -0.301 0.000 1.142 297 I CB 0.359 38.276 38.000 -0.137 0.000 1.266 297 I HN 0.151 nan 8.210 nan 0.000 0.461 298 F N 4.894 124.782 119.950 -0.102 0.000 2.602 298 F HA 0.290 4.816 4.527 -0.001 0.000 0.385 298 F C 0.937 176.677 175.800 -0.101 0.000 1.063 298 F CA -0.066 57.824 58.000 -0.183 0.000 1.233 298 F CB 0.415 39.262 39.000 -0.254 0.000 1.067 298 F HN 0.495 nan 8.300 nan 0.000 0.564 299 A N 4.009 126.878 122.820 0.082 0.000 2.768 299 A HA 0.642 4.962 4.320 -0.001 0.000 0.298 299 A C -0.829 176.802 177.584 0.077 0.000 1.159 299 A CA -0.370 51.710 52.037 0.072 0.000 0.783 299 A CB 0.223 19.248 19.000 0.042 0.000 1.333 299 A HN 0.810 nan 8.150 nan 0.000 0.412 300 V N -0.684 119.303 119.914 0.121 0.000 3.087 300 V HA 0.901 5.020 4.120 -0.001 0.000 0.311 300 V C 0.424 176.612 176.094 0.156 0.000 1.333 300 V CA -0.218 62.181 62.300 0.164 0.000 1.054 300 V CB 0.790 32.789 31.823 0.295 0.000 1.123 300 V HN 1.219 nan 8.190 nan 0.000 0.473 301 T N -0.610 114.042 114.554 0.163 0.000 2.748 301 T HA 0.213 4.562 4.350 -0.001 0.000 0.304 301 T C 1.298 176.071 174.700 0.122 0.000 1.041 301 T CA 0.463 62.638 62.100 0.126 0.000 1.033 301 T CB 0.667 69.605 68.868 0.116 0.000 0.995 301 T HN 1.769 nan 8.240 nan 0.000 0.536 302 S N -0.158 115.597 115.700 0.092 0.000 2.481 302 S HA -0.088 4.382 4.470 -0.001 0.000 0.231 302 S C 1.898 176.541 174.600 0.071 0.000 0.996 302 S CA 0.253 58.500 58.200 0.078 0.000 0.942 302 S CB -0.524 62.712 63.200 0.061 0.000 0.768 302 S HN 0.769 nan 8.310 nan 0.000 0.520 303 R N 0.197 120.742 120.500 0.075 0.000 2.189 303 R HA 0.181 4.520 4.340 -0.001 0.000 0.218 303 R C 0.844 177.181 176.300 0.062 0.000 1.074 303 R CA 0.878 57.015 56.100 0.062 0.000 0.991 303 R CB -0.053 30.285 30.300 0.064 0.000 0.883 303 R HN 0.380 nan 8.270 nan 0.000 0.457 304 M N 0.232 119.892 119.600 0.098 0.000 2.589 304 M HA 0.053 4.532 4.480 -0.001 0.000 0.344 304 M C 1.154 177.533 176.300 0.131 0.000 1.168 304 M CA 0.054 55.408 55.300 0.089 0.000 0.956 304 M CB 0.994 33.709 32.600 0.193 0.000 1.370 304 M HN -0.025 nan 8.290 nan 0.000 0.518 305 V N 1.132 121.111 119.914 0.109 0.000 2.407 305 V HA -0.085 4.034 4.120 -0.001 0.000 0.245 305 V C 1.844 177.971 176.094 0.056 0.000 1.041 305 V CA 1.835 64.206 62.300 0.117 0.000 1.040 305 V CB 0.073 31.950 31.823 0.089 0.000 0.671 305 V HN 0.415 nan 8.190 nan 0.000 0.455 306 K N -0.694 119.714 120.400 0.014 0.000 2.444 306 K HA 0.035 4.354 4.320 -0.001 0.000 0.193 306 K C 1.858 178.423 176.600 -0.057 0.000 1.024 306 K CA 0.883 57.162 56.287 -0.013 0.000 1.077 306 K CB 0.170 32.667 32.500 -0.005 0.000 0.833 306 K HN 0.494 nan 8.250 nan 0.000 0.517 307 T N -0.694 113.796 114.554 -0.107 0.000 2.976 307 T HA -0.045 4.305 4.350 -0.001 0.000 0.257 307 T C 1.277 175.786 174.700 -0.319 0.000 1.051 307 T CA 0.788 62.779 62.100 -0.181 0.000 1.141 307 T CB -0.021 68.728 68.868 -0.198 0.000 0.881 307 T HN 0.122 nan 8.240 nan 0.000 0.461 308 Y N 1.355 121.484 120.300 -0.285 0.000 2.516 308 Y HA 0.226 4.776 4.550 -0.001 0.000 0.291 308 Y C 2.321 177.914 175.900 -0.512 0.000 1.131 308 Y CA 0.526 58.247 58.100 -0.631 0.000 1.281 308 Y CB -0.279 37.727 38.460 -0.757 0.000 1.013 308 Y HN 0.301 nan 8.280 nan 0.000 0.554 309 E N 0.808 120.932 120.200 -0.126 0.000 2.072 309 E HA -0.142 4.207 4.350 -0.001 0.000 0.191 309 E C 1.860 178.414 176.600 -0.077 0.000 0.985 309 E CA 1.354 57.712 56.400 -0.070 0.000 0.801 309 E CB 0.017 29.703 29.700 -0.024 0.000 0.750 309 E HN -0.028 nan 8.360 nan 0.000 0.452 310 K N 0.065 120.412 120.400 -0.089 0.000 2.283 310 K HA -0.083 4.237 4.320 -0.001 0.000 0.202 310 K C 1.937 178.485 176.600 -0.086 0.000 1.048 310 K CA 0.576 56.821 56.287 -0.071 0.000 0.948 310 K CB -0.330 32.133 32.500 -0.062 0.000 0.742 310 K HN 0.235 nan 8.250 nan 0.000 0.458 311 L N 1.129 122.258 121.223 -0.156 0.000 2.313 311 L HA -0.026 4.314 4.340 -0.001 0.000 0.214 311 L C 1.727 178.555 176.870 -0.070 0.000 1.119 311 L CA 1.662 56.402 54.840 -0.168 0.000 0.809 311 L CB -0.611 41.228 42.059 -0.366 0.000 0.933 311 L HN 0.009 nan 8.230 nan 0.000 0.449 312 T N -0.448 114.072 114.554 -0.057 0.000 2.821 312 T HA -0.096 4.254 4.350 -0.001 0.000 0.267 312 T C 1.651 176.390 174.700 0.066 0.000 1.046 312 T CA 1.205 63.356 62.100 0.086 0.000 1.139 312 T CB -0.093 68.829 68.868 0.089 0.000 0.871 312 T HN 0.359 nan 8.240 nan 0.000 0.454 313 E N 1.028 121.241 120.200 0.021 0.000 2.038 313 E HA -0.103 4.247 4.350 -0.001 0.000 0.195 313 E C 2.228 178.837 176.600 0.014 0.000 1.000 313 E CA 0.919 57.330 56.400 0.018 0.000 0.803 313 E CB -0.352 29.345 29.700 -0.005 0.000 0.750 313 E HN 0.364 nan 8.360 nan 0.000 0.448 314 I N 1.192 121.759 120.570 -0.005 0.000 2.087 314 I HA -0.125 4.045 4.170 -0.001 0.000 0.231 314 I C 1.848 177.954 176.117 -0.019 0.000 1.058 314 I CA 0.375 61.661 61.300 -0.023 0.000 1.328 314 I CB -0.965 37.012 38.000 -0.039 0.000 1.079 314 I HN 0.075 nan 8.210 nan 0.000 0.397 315 I N 2.401 122.971 120.570 0.002 0.000 2.692 315 I HA 0.033 4.203 4.170 -0.001 0.000 0.284 315 I C -2.017 174.108 176.117 0.013 0.000 1.159 315 I CA -1.260 60.033 61.300 -0.010 0.000 1.423 315 I CB 1.079 39.091 38.000 0.020 0.000 1.380 315 I HN 0.018 nan 8.210 nan 0.000 0.580 316 P HA 0.140 nan 4.420 nan 0.000 0.277 316 P C -1.409 175.956 177.300 0.108 0.000 1.271 316 P CA -0.504 62.618 63.100 0.037 0.000 0.795 316 P CB 0.271 31.784 31.700 -0.312 0.000 1.101 317 K N -0.588 119.963 120.400 0.253 0.000 4.814 317 K HA -0.060 4.259 4.320 -0.001 0.000 0.295 317 K C -0.664 175.944 176.600 0.013 0.000 0.828 317 K CA 0.687 57.047 56.287 0.122 0.000 0.895 317 K CB -2.152 30.397 32.500 0.080 0.000 1.810 317 K HN 0.675 nan 8.250 nan 0.000 0.418 318 S N -0.798 114.928 115.700 0.043 0.000 2.562 318 S HA 0.740 5.210 4.470 -0.001 0.000 0.274 318 S C -0.777 173.891 174.600 0.114 0.000 1.160 318 S CA -0.620 57.582 58.200 0.003 0.000 0.933 318 S CB 2.283 65.528 63.200 0.074 0.000 1.100 318 S HN 0.546 nan 8.310 nan 0.000 0.468 319 A N 1.898 124.767 122.820 0.083 0.000 2.330 319 A HA 0.936 5.256 4.320 -0.001 0.000 0.329 319 A C -0.030 177.688 177.584 0.223 0.000 1.135 319 A CA -0.684 51.429 52.037 0.128 0.000 0.817 319 A CB 1.328 20.364 19.000 0.059 0.000 1.269 319 A HN 1.998 nan 8.150 nan 0.000 0.469 320 V N -0.910 119.109 119.914 0.174 0.000 2.435 320 V HA 0.866 4.985 4.120 -0.001 0.000 0.290 320 V C 0.146 176.313 176.094 0.121 0.000 1.030 320 V CA 0.063 62.465 62.300 0.169 0.000 0.881 320 V CB 1.071 32.964 31.823 0.117 0.000 0.983 320 V HN 1.389 nan 8.190 nan 0.000 0.445 321 G N 3.102 111.975 108.800 0.123 0.000 2.814 321 G HA2 0.448 4.407 3.960 -0.001 0.000 0.300 321 G HA3 0.448 4.407 3.960 -0.001 0.000 0.300 321 G C -0.626 174.332 174.900 0.098 0.000 1.406 321 G CA -0.329 44.829 45.100 0.096 0.000 1.041 321 G HN 0.806 nan 8.290 nan 0.000 0.532 322 E N 2.661 122.914 120.200 0.088 0.000 2.259 322 E HA 0.406 4.755 4.350 -0.001 0.000 0.281 322 E C -0.606 176.040 176.600 0.076 0.000 1.037 322 E CA -0.243 56.208 56.400 0.085 0.000 0.854 322 E CB 1.106 30.850 29.700 0.074 0.000 1.051 322 E HN 0.430 nan 8.360 nan 0.000 0.409 323 L N 1.009 122.280 121.223 0.079 0.000 2.341 323 L HA 0.601 4.941 4.340 -0.001 0.000 0.254 323 L C -0.049 176.862 176.870 0.068 0.000 1.040 323 L CA -1.026 53.857 54.840 0.072 0.000 0.837 323 L CB 1.055 43.159 42.059 0.076 0.000 1.425 323 L HN 0.120 nan 8.230 nan 0.000 0.414 324 S N -0.441 115.296 115.700 0.060 0.000 2.614 324 S HA 0.177 4.647 4.470 -0.001 0.000 0.265 324 S C 0.709 175.344 174.600 0.059 0.000 1.303 324 S CA -0.102 58.131 58.200 0.055 0.000 1.000 324 S CB 0.868 64.096 63.200 0.046 0.000 0.935 324 S HN 0.780 nan 8.310 nan 0.000 0.551 325 E N 1.097 121.330 120.200 0.054 0.000 2.526 325 E HA -0.076 4.273 4.350 -0.001 0.000 0.198 325 E C 0.552 177.180 176.600 0.047 0.000 1.091 325 E CA 0.542 56.975 56.400 0.055 0.000 0.880 325 E CB -0.235 29.497 29.700 0.052 0.000 0.873 325 E HN 0.610 nan 8.360 nan 0.000 0.527 326 D N -2.085 118.342 120.400 0.045 0.000 2.407 326 D HA 0.054 4.694 4.640 -0.001 0.000 0.208 326 D C 0.057 176.384 176.300 0.045 0.000 1.083 326 D CA 0.277 54.298 54.000 0.036 0.000 0.844 326 D CB -0.224 40.593 40.800 0.028 0.000 0.967 326 D HN -0.046 nan 8.370 nan 0.000 0.506 327 S N -0.765 114.972 115.700 0.061 0.000 3.641 327 S HA -0.220 4.250 4.470 -0.001 0.000 0.346 327 S C 1.282 175.924 174.600 0.070 0.000 1.074 327 S CA 0.808 59.057 58.200 0.082 0.000 1.026 327 S CB -2.164 61.099 63.200 0.105 0.000 0.908 327 S HN 0.657 nan 8.310 nan 0.000 0.479 328 S N 1.171 116.903 115.700 0.054 0.000 2.421 328 S HA -0.038 4.432 4.470 -0.001 0.000 0.224 328 S C 0.917 175.546 174.600 0.049 0.000 1.035 328 S CA 0.556 58.782 58.200 0.042 0.000 0.953 328 S CB -0.284 62.935 63.200 0.032 0.000 0.810 328 S HN 0.758 nan 8.310 nan 0.000 0.497 329 N N 1.874 120.608 118.700 0.056 0.000 2.802 329 N HA 0.174 4.914 4.740 -0.001 0.000 0.288 329 N C 0.592 176.147 175.510 0.075 0.000 1.268 329 N CA -0.218 52.868 53.050 0.059 0.000 1.035 329 N CB 0.415 38.934 38.487 0.054 0.000 1.353 329 N HN 0.291 nan 8.380 nan 0.000 0.522 330 V N -0.420 119.548 119.914 0.089 0.000 2.878 330 V HA -0.010 4.109 4.120 -0.001 0.000 0.250 330 V C 1.458 177.624 176.094 0.121 0.000 1.075 330 V CA 0.827 63.200 62.300 0.122 0.000 1.096 330 V CB 0.053 31.983 31.823 0.179 0.000 0.724 330 V HN 0.256 nan 8.190 nan 0.000 0.467 331 V N 0.049 120.021 119.914 0.096 0.000 2.871 331 V HA -0.147 3.973 4.120 -0.001 0.000 0.256 331 V C 2.232 178.376 176.094 0.083 0.000 1.082 331 V CA 1.803 64.157 62.300 0.089 0.000 1.105 331 V CB -0.542 31.321 31.823 0.066 0.000 0.713 331 V HN 0.648 nan 8.190 nan 0.000 0.473 332 Q N -0.171 119.674 119.800 0.075 0.000 2.472 332 Q HA -0.011 4.328 4.340 -0.001 0.000 0.208 332 Q C 2.010 178.055 176.000 0.075 0.000 0.958 332 Q CA 0.623 56.468 55.803 0.070 0.000 0.932 332 Q CB -0.053 28.721 28.738 0.060 0.000 1.007 332 Q HN 0.620 nan 8.270 nan 0.000 0.508 333 L N 0.012 121.283 121.223 0.080 0.000 2.046 333 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 333 L C 1.987 178.899 176.870 0.069 0.000 1.077 333 L CA 1.138 56.022 54.840 0.073 0.000 0.747 333 L CB -0.254 41.850 42.059 0.074 0.000 0.896 333 L HN 0.349 nan 8.230 nan 0.000 0.432 334 I N -0.710 119.911 120.570 0.085 0.000 3.059 334 I HA -0.138 4.031 4.170 -0.001 0.000 0.270 334 I C 2.336 178.546 176.117 0.155 0.000 1.238 334 I CA 0.290 61.648 61.300 0.096 0.000 1.478 334 I CB -0.134 37.937 38.000 0.120 0.000 1.097 334 I HN 0.126 nan 8.210 nan 0.000 0.455 335 K N 1.787 122.264 120.400 0.128 0.000 2.283 335 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 335 K C 1.301 177.969 176.600 0.114 0.000 1.048 335 K CA 1.459 57.821 56.287 0.125 0.000 0.948 335 K CB -0.101 32.451 32.500 0.087 0.000 0.742 335 K HN 0.200 nan 8.250 nan 0.000 0.458 336 N N -0.189 118.567 118.700 0.093 0.000 2.299 336 N HA 0.148 4.888 4.740 -0.001 0.000 0.187 336 N C 0.856 176.406 175.510 0.067 0.000 1.099 336 N CA 0.705 53.802 53.050 0.078 0.000 0.867 336 N CB 0.491 39.018 38.487 0.067 0.000 0.974 336 N HN 0.253 nan 8.380 nan 0.000 0.477 337 A N 0.405 123.259 122.820 0.056 0.000 1.832 337 A HA -0.015 4.304 4.320 -0.001 0.000 0.214 337 A C 1.604 179.178 177.584 -0.016 0.000 1.242 337 A CA 0.758 52.781 52.037 -0.024 0.000 0.603 337 A CB -1.178 17.754 19.000 -0.114 0.000 0.902 337 A HN 0.211 nan 8.150 nan 0.000 0.455 338 Y N 0.823 121.156 120.300 0.054 0.000 2.298 338 Y HA -0.279 4.271 4.550 -0.001 0.000 0.287 338 Y C 2.535 178.469 175.900 0.055 0.000 1.164 338 Y CA 1.349 59.485 58.100 0.059 0.000 1.229 338 Y CB -0.355 38.139 38.460 0.056 0.000 0.977 338 Y HN 0.468 nan 8.280 nan 0.000 0.538 339 N N 0.797 119.608 118.700 0.185 0.000 2.037 339 N HA -0.203 4.537 4.740 -0.001 0.000 0.196 339 N C 0.788 176.358 175.510 0.100 0.000 1.034 339 N CA 1.738 54.861 53.050 0.123 0.000 0.861 339 N CB -0.050 38.493 38.487 0.094 0.000 1.039 339 N HN 0.119 nan 8.380 nan 0.000 0.427 340 K N -0.487 119.962 120.400 0.081 0.000 2.619 340 K HA 0.163 4.482 4.320 -0.001 0.000 0.201 340 K C 0.381 177.014 176.600 0.054 0.000 1.090 340 K CA -0.167 56.159 56.287 0.065 0.000 1.063 340 K CB 0.635 33.168 32.500 0.055 0.000 0.810 340 K HN 0.179 nan 8.250 nan 0.000 0.506 341 L N -0.314 120.942 121.223 0.055 0.000 2.577 341 L HA 0.261 4.601 4.340 -0.001 0.000 0.225 341 L C 0.988 177.910 176.870 0.088 0.000 1.053 341 L CA 1.138 55.996 54.840 0.030 0.000 0.866 341 L CB 0.437 42.462 42.059 -0.057 0.000 1.132 341 L HN -0.150 nan 8.230 nan 0.000 0.486 342 S N -0.586 115.205 115.700 0.152 0.000 2.851 342 S HA 0.099 4.569 4.470 -0.001 0.000 0.227 342 S C 1.343 176.052 174.600 0.183 0.000 0.958 342 S CA 0.694 59.032 58.200 0.229 0.000 0.990 342 S CB -0.249 63.134 63.200 0.304 0.000 0.790 342 S HN 0.488 nan 8.310 nan 0.000 0.509 343 S N 0.677 116.453 115.700 0.127 0.000 2.741 343 S HA 0.195 4.664 4.470 -0.001 0.000 0.245 343 S C 0.647 175.260 174.600 0.022 0.000 1.083 343 S CA -0.373 57.877 58.200 0.084 0.000 0.873 343 S CB 0.359 63.596 63.200 0.062 0.000 0.814 343 S HN 0.340 nan 8.310 nan 0.000 0.476 344 R N 2.782 123.264 120.500 -0.030 0.000 2.878 344 R HA 0.238 4.578 4.340 -0.001 0.000 0.239 344 R C -0.986 175.122 176.300 -0.320 0.000 1.515 344 R CA -0.049 55.898 56.100 -0.256 0.000 1.210 344 R CB -0.150 29.987 30.300 -0.273 0.000 1.209 344 R HN 0.101 nan 8.270 nan 0.000 0.610 345 V N 4.539 124.314 119.914 -0.231 0.000 2.521 345 V HA 0.110 4.230 4.120 -0.001 0.000 0.286 345 V C 0.281 176.115 176.094 -0.435 0.000 1.034 345 V CA 0.483 62.654 62.300 -0.214 0.000 1.045 345 V CB -0.014 31.771 31.823 -0.064 0.000 0.974 345 V HN 0.410 nan 8.190 nan 0.000 0.480 346 F N 4.284 124.150 119.950 -0.140 0.000 2.523 346 F HA 0.692 5.218 4.527 -0.001 0.000 0.329 346 F C 0.122 175.694 175.800 -0.380 0.000 1.061 346 F CA -0.743 57.126 58.000 -0.219 0.000 0.967 346 F CB 1.986 40.933 39.000 -0.088 0.000 1.218 346 F HN 0.278 nan 8.300 nan 0.000 0.480 347 L N 2.253 123.353 121.223 -0.206 0.000 2.806 347 L HA 0.298 4.638 4.340 -0.001 0.000 0.319 347 L C -0.934 175.729 176.870 -0.344 0.000 1.307 347 L CA -0.000 54.609 54.840 -0.384 0.000 0.710 347 L CB -0.476 41.093 42.059 -0.817 0.000 1.093 347 L HN 0.428 nan 8.230 nan 0.000 0.546 348 D N 0.089 120.402 120.400 -0.145 0.000 2.478 348 D HA 0.508 5.147 4.640 -0.001 0.000 0.274 348 D C -0.092 176.319 176.300 0.185 0.000 1.234 348 D CA 0.136 54.111 54.000 -0.041 0.000 1.069 348 D CB 0.564 41.267 40.800 -0.162 0.000 1.113 348 D HN 0.423 nan 8.370 nan 0.000 0.571 349 H N -1.897 117.220 119.070 0.078 0.000 3.008 349 H HA 0.372 4.928 4.556 -0.001 0.000 0.354 349 H C -0.766 174.616 175.328 0.090 0.000 1.252 349 H CA -0.884 55.254 56.048 0.150 0.000 1.117 349 H CB 0.159 30.067 29.762 0.244 0.000 1.857 349 H HN 0.061 nan 8.280 nan 0.000 0.547 350 N N 0.119 118.931 118.700 0.187 0.000 2.407 350 N HA 0.160 4.900 4.740 -0.001 0.000 0.250 350 N C 0.138 175.671 175.510 0.038 0.000 1.236 350 N CA 0.412 53.516 53.050 0.090 0.000 0.879 350 N CB 0.382 38.959 38.487 0.150 0.000 1.088 350 N HN 0.717 nan 8.380 nan 0.000 0.450 351 A N 2.436 125.239 122.820 -0.029 0.000 2.512 351 A HA 0.108 4.428 4.320 -0.001 0.000 0.278 351 A C 0.283 177.867 177.584 0.001 0.000 1.128 351 A CA -0.196 51.813 52.037 -0.047 0.000 0.818 351 A CB -1.199 17.772 19.000 -0.049 0.000 1.044 351 A HN 0.592 nan 8.150 nan 0.000 0.526 352 L N 2.825 124.055 121.223 0.012 0.000 2.464 352 L HA 0.627 4.967 4.340 -0.001 0.000 0.264 352 L C -1.818 175.028 176.870 -0.040 0.000 1.199 352 L CA -1.751 53.063 54.840 -0.044 0.000 0.818 352 L CB -0.900 41.063 42.059 -0.161 0.000 1.102 352 L HN 0.422 nan 8.230 nan 0.000 0.473 353 P HA 0.055 nan 4.420 nan 0.000 0.269 353 P C -0.305 176.968 177.300 -0.046 0.000 1.215 353 P CA -0.149 62.930 63.100 -0.034 0.000 0.780 353 P CB 0.482 32.168 31.700 -0.024 0.000 0.898 354 D N -0.349 120.025 120.400 -0.044 0.000 2.263 354 D HA -0.157 4.483 4.640 -0.001 0.000 0.208 354 D C 1.158 177.423 176.300 -0.059 0.000 0.971 354 D CA 1.535 55.502 54.000 -0.055 0.000 0.867 354 D CB -1.400 39.363 40.800 -0.062 0.000 0.929 354 D HN 0.447 nan 8.370 nan 0.000 0.492 355 T N -2.209 112.317 114.554 -0.048 0.000 3.227 355 T HA 0.204 4.553 4.350 -0.001 0.000 0.257 355 T C 0.694 175.370 174.700 -0.039 0.000 1.162 355 T CA -0.104 61.973 62.100 -0.039 0.000 1.051 355 T CB -0.449 68.403 68.868 -0.028 0.000 0.953 355 T HN 0.136 nan 8.240 nan 0.000 0.535 356 L N -0.116 121.073 121.223 -0.056 0.000 2.376 356 L HA 0.669 5.009 4.340 -0.001 0.000 0.258 356 L C -0.796 176.029 176.870 -0.075 0.000 1.013 356 L CA -1.269 53.527 54.840 -0.073 0.000 0.822 356 L CB 2.272 44.260 42.059 -0.119 0.000 1.388 356 L HN -0.185 nan 8.230 nan 0.000 0.413 357 K N 2.009 122.362 120.400 -0.077 0.000 2.535 357 K HA 0.630 4.950 4.320 -0.001 0.000 0.250 357 K C -1.447 175.088 176.600 -0.109 0.000 0.948 357 K CA -0.530 55.718 56.287 -0.064 0.000 0.796 357 K CB 2.692 35.179 32.500 -0.021 0.000 1.216 357 K HN 0.241 nan 8.250 nan 0.000 0.432 358 V N 1.710 121.540 119.914 -0.140 0.000 2.715 358 V HA 0.642 4.761 4.120 -0.001 0.000 0.310 358 V C 0.276 176.266 176.094 -0.174 0.000 1.054 358 V CA -0.596 61.551 62.300 -0.256 0.000 0.928 358 V CB 1.998 33.503 31.823 -0.530 0.000 1.007 358 V HN 1.014 nan 8.190 nan 0.000 0.437 359 T N 0.497 114.872 114.554 -0.297 0.000 2.804 359 T HA 0.832 5.182 4.350 -0.001 0.000 0.290 359 T C -1.393 173.050 174.700 -0.428 0.000 1.099 359 T CA -0.651 61.356 62.100 -0.155 0.000 1.011 359 T CB 1.985 70.817 68.868 -0.059 0.000 1.291 359 T HN 0.367 nan 8.240 nan 0.000 0.523 360 Y N -1.110 119.172 120.300 -0.029 0.000 2.677 360 Y HA 0.720 5.270 4.550 -0.001 0.000 0.334 360 Y C -0.851 175.067 175.900 0.029 0.000 1.154 360 Y CA -0.976 57.118 58.100 -0.010 0.000 1.070 360 Y CB 1.589 40.045 38.460 -0.007 0.000 1.294 360 Y HN 0.717 nan 8.280 nan 0.000 0.475 361 D N -0.813 119.750 120.400 0.272 0.000 2.533 361 D HA 0.743 5.382 4.640 -0.001 0.000 0.247 361 D C -1.396 175.072 176.300 0.281 0.000 1.056 361 D CA -0.711 53.407 54.000 0.196 0.000 1.054 361 D CB 2.119 43.008 40.800 0.149 0.000 1.400 361 D HN 0.352 nan 8.370 nan 0.000 0.533 362 S N -0.075 115.707 115.700 0.137 0.000 2.575 362 S HA 0.524 4.994 4.470 -0.001 0.000 0.278 362 S C -1.305 173.236 174.600 -0.097 0.000 1.139 362 S CA -0.570 57.713 58.200 0.137 0.000 0.954 362 S CB 0.764 64.093 63.200 0.215 0.000 1.054 362 S HN 0.306 nan 8.310 nan 0.000 0.483 363 F N 1.613 121.537 119.950 -0.043 0.000 2.622 363 F HA 0.310 4.836 4.527 -0.001 0.000 0.338 363 F C 0.470 176.217 175.800 -0.089 0.000 1.334 363 F CA -0.650 57.315 58.000 -0.059 0.000 1.179 363 F CB 0.342 39.297 39.000 -0.076 0.000 1.471 363 F HN 0.503 nan 8.300 nan 0.000 0.576 364 c N 0.535 119.174 118.600 0.064 0.000 2.801 364 c HA 0.043 4.613 4.570 -0.001 0.000 0.376 364 c C 2.229 176.349 174.090 0.050 0.000 1.323 364 c CA 0.689 57.043 56.329 0.041 0.000 2.170 364 c CB 0.818 43.352 42.510 0.040 0.000 2.650 364 c HN 0.861 nan 8.230 nan 0.000 0.736 365 S N 1.225 116.944 115.700 0.032 0.000 2.388 365 S HA -0.082 4.387 4.470 -0.001 0.000 0.223 365 S C 0.553 175.167 174.600 0.023 0.000 1.034 365 S CA 0.769 58.985 58.200 0.026 0.000 0.963 365 S CB -0.549 62.662 63.200 0.019 0.000 0.827 365 S HN 0.882 nan 8.310 nan 0.000 0.481 366 N N 2.034 120.745 118.700 0.019 0.000 2.739 366 N HA 0.448 5.187 4.740 -0.001 0.000 0.266 366 N C 1.012 176.523 175.510 0.001 0.000 1.168 366 N CA 0.287 53.344 53.050 0.011 0.000 1.055 366 N CB -0.174 38.320 38.487 0.012 0.000 1.393 366 N HN 0.573 nan 8.380 nan 0.000 0.514 367 G N -0.130 108.674 108.800 0.005 0.000 2.417 367 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.233 367 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.233 367 G C -0.088 174.792 174.900 -0.034 0.000 1.103 367 G CA 0.252 45.347 45.100 -0.008 0.000 0.647 367 G HN 0.564 nan 8.290 nan 0.000 0.512 368 V N 2.232 122.104 119.914 -0.070 0.000 2.529 368 V HA 0.426 4.546 4.120 -0.001 0.000 0.292 368 V C 0.764 176.723 176.094 -0.224 0.000 1.028 368 V CA 1.266 63.445 62.300 -0.201 0.000 1.074 368 V CB 1.193 32.869 31.823 -0.245 0.000 0.958 368 V HN 0.364 nan 8.190 nan 0.000 0.481 369 T N 4.780 119.141 114.554 -0.322 0.000 3.368 369 T HA 0.309 4.658 4.350 -0.001 0.000 0.321 369 T C 0.011 174.417 174.700 -0.490 0.000 1.830 369 T CA -0.246 61.584 62.100 -0.450 0.000 1.494 369 T CB -0.544 68.210 68.868 -0.191 0.000 1.045 369 T HN 0.750 nan 8.240 nan 0.000 0.729 370 H N 1.656 120.472 119.070 -0.423 0.000 2.603 370 H HA 0.601 5.156 4.556 -0.001 0.000 0.370 370 H C 0.571 175.717 175.328 -0.304 0.000 1.225 370 H CA -0.398 55.490 56.048 -0.267 0.000 1.410 370 H CB 0.770 30.442 29.762 -0.149 0.000 1.495 370 H HN 0.227 nan 8.280 nan 0.000 0.602 371 R N 1.510 122.020 120.500 0.017 0.000 2.536 371 R HA 0.153 4.493 4.340 -0.001 0.000 0.269 371 R C -1.282 175.027 176.300 0.014 0.000 1.113 371 R CA -1.074 55.017 56.100 -0.016 0.000 0.948 371 R CB 1.420 31.703 30.300 -0.029 0.000 1.237 371 R HN 0.805 nan 8.270 nan 0.000 0.441 372 N N 2.922 121.640 118.700 0.029 0.000 2.471 372 N HA -0.167 4.573 4.740 -0.001 0.000 0.286 372 N C -1.327 174.198 175.510 0.024 0.000 1.327 372 N CA 1.050 54.117 53.050 0.029 0.000 0.657 372 N CB -0.445 38.051 38.487 0.015 0.000 0.901 372 N HN 0.715 nan 8.380 nan 0.000 0.531 373 Q N -0.612 119.221 119.800 0.055 0.000 2.686 373 Q HA 0.263 4.602 4.340 -0.001 0.000 0.266 373 Q C -2.606 173.467 176.000 0.123 0.000 0.965 373 Q CA -1.077 54.753 55.803 0.046 0.000 0.894 373 Q CB 2.844 31.562 28.738 -0.033 0.000 1.583 373 Q HN 0.115 nan 8.270 nan 0.000 0.405 374 P HA 0.053 nan 4.420 nan 0.000 0.280 374 P C -0.286 176.958 177.300 -0.094 0.000 1.278 374 P CA 0.163 63.357 63.100 0.156 0.000 0.787 374 P CB 0.591 32.358 31.700 0.112 0.000 1.163 375 R N -2.818 117.498 120.500 -0.306 0.000 3.868 375 R HA -0.129 4.211 4.340 -0.001 0.000 0.476 375 R C 0.590 176.628 176.300 -0.436 0.000 0.241 375 R CA 1.237 57.164 56.100 -0.288 0.000 1.496 375 R CB -1.937 28.337 30.300 -0.043 0.000 1.052 375 R HN 0.866 nan 8.270 nan 0.000 0.541 376 G N 0.287 108.912 108.800 -0.292 0.000 5.252 376 G HA2 0.102 4.061 3.960 -0.001 0.000 0.214 376 G HA3 0.102 4.061 3.960 -0.001 0.000 0.214 376 G C -1.254 173.604 174.900 -0.070 0.000 0.817 376 G CA -0.018 44.893 45.100 -0.316 0.000 0.715 376 G HN 0.504 nan 8.290 nan 0.000 0.480 377 D N 0.883 121.234 120.400 -0.081 0.000 2.359 377 D HA 0.154 4.794 4.640 -0.001 0.000 0.273 377 D C -0.126 176.170 176.300 -0.006 0.000 1.362 377 D CA 0.155 54.085 54.000 -0.117 0.000 1.010 377 D CB 0.014 40.780 40.800 -0.057 0.000 1.090 377 D HN 0.058 nan 8.370 nan 0.000 0.521 378 c N 4.371 122.968 118.600 -0.005 0.000 2.647 378 c HA 0.181 4.750 4.570 -0.001 0.000 0.273 378 c C 0.505 174.605 174.090 0.016 0.000 1.088 378 c CA -1.025 55.337 56.329 0.056 0.000 1.529 378 c CB 0.276 42.850 42.510 0.107 0.000 1.810 378 c HN 0.495 nan 8.230 nan 0.000 0.422 379 D N 1.650 122.057 120.400 0.013 0.000 2.870 379 D HA 0.258 4.898 4.640 -0.001 0.000 0.241 379 D C 1.093 177.413 176.300 0.034 0.000 1.234 379 D CA 0.344 54.352 54.000 0.012 0.000 0.844 379 D CB -0.190 40.618 40.800 0.013 0.000 1.051 379 D HN 0.796 nan 8.370 nan 0.000 0.469 380 G N -0.102 108.723 108.800 0.041 0.000 5.302 380 G HA2 0.370 4.330 3.960 -0.001 0.000 0.223 380 G HA3 0.370 4.330 3.960 -0.001 0.000 0.223 380 G C -0.591 174.338 174.900 0.048 0.000 0.832 380 G CA -0.088 45.038 45.100 0.042 0.000 0.714 380 G HN 0.221 nan 8.290 nan 0.000 0.444 381 V N -2.067 117.884 119.914 0.062 0.000 2.932 381 V HA 0.833 4.952 4.120 -0.001 0.000 0.307 381 V C -0.169 175.982 176.094 0.096 0.000 1.147 381 V CA -0.639 61.705 62.300 0.074 0.000 0.951 381 V CB 1.475 33.351 31.823 0.088 0.000 1.031 381 V HN 0.399 nan 8.190 nan 0.000 0.426 382 Q N 3.917 123.770 119.800 0.088 0.000 1.749 382 Q HA 0.490 4.830 4.340 -0.001 0.000 0.148 382 Q C 1.121 177.172 176.000 0.086 0.000 0.429 382 Q CA -0.203 55.660 55.803 0.100 0.000 0.698 382 Q CB 0.763 29.549 28.738 0.079 0.000 0.863 382 Q HN 0.536 nan 8.270 nan 0.000 0.272 383 I N 0.651 121.248 120.570 0.044 0.000 2.404 383 I HA 0.025 4.195 4.170 -0.001 0.000 0.231 383 I C 0.702 176.809 176.117 -0.016 0.000 1.064 383 I CA 0.786 62.093 61.300 0.012 0.000 1.383 383 I CB 0.134 38.128 38.000 -0.011 0.000 1.171 383 I HN 0.339 nan 8.210 nan 0.000 0.422 384 N N 0.548 119.234 118.700 -0.024 0.000 2.679 384 N HA 0.242 4.982 4.740 -0.001 0.000 0.302 384 N C -1.516 173.973 175.510 -0.034 0.000 1.941 384 N CA 0.073 53.097 53.050 -0.043 0.000 0.875 384 N CB 0.781 39.240 38.487 -0.047 0.000 1.278 384 N HN -0.118 nan 8.380 nan 0.000 0.490 385 V N 2.400 122.300 119.914 -0.023 0.000 2.419 385 V HA 0.451 4.571 4.120 -0.001 0.000 0.287 385 V C -2.022 174.065 176.094 -0.013 0.000 1.017 385 V CA -1.456 60.834 62.300 -0.016 0.000 0.844 385 V CB 1.706 33.529 31.823 -0.000 0.000 1.011 385 V HN 0.234 nan 8.190 nan 0.000 0.429 386 P HA 0.273 nan 4.420 nan 0.000 0.271 386 P C -0.279 177.015 177.300 -0.009 0.000 1.233 386 P CA 0.179 63.265 63.100 -0.023 0.000 0.795 386 P CB 0.583 32.263 31.700 -0.034 0.000 0.936 387 I N -4.357 116.207 120.570 -0.010 0.000 3.343 387 I HA 0.689 4.859 4.170 -0.001 0.000 0.315 387 I C -1.135 174.852 176.117 -0.217 0.000 1.153 387 I CA -0.852 60.373 61.300 -0.126 0.000 0.952 387 I CB 2.352 40.237 38.000 -0.192 0.000 1.287 387 I HN 0.042 nan 8.210 nan 0.000 0.472 388 T N 2.182 116.499 114.554 -0.395 0.000 3.031 388 T HA 0.586 4.935 4.350 -0.001 0.000 0.305 388 T C -1.183 173.286 174.700 -0.385 0.000 0.985 388 T CA -0.157 61.788 62.100 -0.259 0.000 1.008 388 T CB 0.722 69.547 68.868 -0.071 0.000 1.005 388 T HN 0.379 nan 8.240 nan 0.000 0.444 389 F N 2.071 122.110 119.950 0.147 0.000 2.477 389 F HA 0.469 4.996 4.527 -0.001 0.000 0.335 389 F C 0.589 176.446 175.800 0.096 0.000 1.130 389 F CA -1.033 57.053 58.000 0.145 0.000 0.948 389 F CB 1.867 40.956 39.000 0.148 0.000 1.154 389 F HN 0.344 nan 8.300 nan 0.000 0.439 390 Q N 3.754 123.699 119.800 0.241 0.000 2.421 390 Q HA 0.404 4.744 4.340 -0.001 0.000 0.242 390 Q C -1.252 174.692 176.000 -0.095 0.000 1.024 390 Q CA -0.503 55.335 55.803 0.059 0.000 0.891 390 Q CB 1.099 29.885 28.738 0.081 0.000 1.222 390 Q HN 0.579 nan 8.270 nan 0.000 0.483 391 V N 5.171 124.864 119.914 -0.369 0.000 2.427 391 V HA 0.188 4.308 4.120 -0.001 0.000 0.268 391 V C -0.127 175.539 176.094 -0.714 0.000 1.046 391 V CA -0.072 61.796 62.300 -0.721 0.000 0.970 391 V CB 0.789 31.962 31.823 -1.084 0.000 1.001 391 V HN 0.639 nan 8.190 nan 0.000 0.476 392 K N 4.455 124.589 120.400 -0.443 0.000 2.449 392 K HA 0.561 4.880 4.320 -0.001 0.000 0.257 392 K C -1.109 175.394 176.600 -0.162 0.000 0.989 392 K CA -0.522 55.629 56.287 -0.227 0.000 0.916 392 K CB 1.979 34.401 32.500 -0.130 0.000 1.136 392 K HN 0.457 nan 8.250 nan 0.000 0.439 393 V N 2.953 122.853 119.914 -0.023 0.000 2.394 393 V HA 0.307 4.427 4.120 -0.001 0.000 0.282 393 V C 0.005 176.115 176.094 0.027 0.000 1.031 393 V CA -0.374 61.937 62.300 0.018 0.000 0.881 393 V CB 1.507 33.437 31.823 0.177 0.000 0.982 393 V HN 0.728 nan 8.190 nan 0.000 0.451 394 T N 3.609 118.156 114.554 -0.011 0.000 2.908 394 T HA 0.820 5.170 4.350 -0.001 0.000 0.290 394 T C -0.128 174.568 174.700 -0.006 0.000 1.034 394 T CA -0.356 61.744 62.100 0.000 0.000 1.010 394 T CB 2.036 70.902 68.868 -0.004 0.000 1.068 394 T HN 0.900 nan 8.240 nan 0.000 0.481 395 A N 0.725 123.546 122.820 0.001 0.000 2.346 395 A HA 0.778 5.097 4.320 -0.001 0.000 0.313 395 A C 1.165 178.749 177.584 -0.000 0.000 1.140 395 A CA -0.306 51.728 52.037 -0.004 0.000 0.826 395 A CB 0.993 19.991 19.000 -0.004 0.000 1.332 395 A HN 0.902 nan 8.150 nan 0.000 0.457 396 T N -2.198 112.358 114.554 0.005 0.000 3.042 396 T HA 0.258 4.608 4.350 -0.001 0.000 0.245 396 T C 0.475 175.168 174.700 -0.012 0.000 1.029 396 T CA 0.886 62.998 62.100 0.020 0.000 1.120 396 T CB -0.342 68.572 68.868 0.078 0.000 0.917 396 T HN 0.858 nan 8.240 nan 0.000 0.467 397 E N -0.633 119.556 120.200 -0.018 0.000 2.431 397 E HA 0.502 4.852 4.350 -0.001 0.000 0.268 397 E C -1.254 175.324 176.600 -0.038 0.000 0.953 397 E CA -1.273 55.102 56.400 -0.041 0.000 0.810 397 E CB 0.911 30.590 29.700 -0.035 0.000 1.369 397 E HN -0.007 nan 8.360 nan 0.000 0.440 398 c N 2.971 121.543 118.600 -0.047 0.000 2.551 398 c HA 0.212 4.782 4.570 -0.001 0.000 0.378 398 c C 1.068 175.141 174.090 -0.029 0.000 1.101 398 c CA -0.667 55.639 56.329 -0.038 0.000 1.360 398 c CB -2.760 39.724 42.510 -0.043 0.000 1.895 398 c HN 0.478 nan 8.230 nan 0.000 0.540 399 I N 1.182 121.738 120.570 -0.023 0.000 3.332 399 I HA 0.087 4.257 4.170 -0.001 0.000 0.280 399 I C 0.283 176.387 176.117 -0.021 0.000 1.285 399 I CA 0.131 61.419 61.300 -0.019 0.000 1.347 399 I CB 0.464 38.457 38.000 -0.012 0.000 1.353 399 I HN 0.343 nan 8.210 nan 0.000 0.611 400 Q N 2.307 122.097 119.800 -0.018 0.000 2.222 400 Q HA 0.201 4.541 4.340 -0.001 0.000 0.252 400 Q C -0.536 175.451 176.000 -0.022 0.000 0.926 400 Q CA -0.423 55.368 55.803 -0.020 0.000 0.899 400 Q CB 1.168 29.896 28.738 -0.016 0.000 1.250 400 Q HN 0.644 nan 8.270 nan 0.000 0.441 401 E N 2.514 122.694 120.200 -0.033 0.000 2.585 401 E HA -0.078 4.272 4.350 -0.001 0.000 0.252 401 E C -0.739 175.846 176.600 -0.026 0.000 0.981 401 E CA 0.689 57.062 56.400 -0.044 0.000 0.943 401 E CB 0.381 30.045 29.700 -0.060 0.000 0.923 401 E HN 0.590 nan 8.360 nan 0.000 0.486 402 Q N 1.797 121.588 119.800 -0.015 0.000 2.893 402 Q HA 0.486 4.825 4.340 -0.001 0.000 0.331 402 Q C -1.493 174.517 176.000 0.017 0.000 0.893 402 Q CA -0.979 54.831 55.803 0.011 0.000 0.783 402 Q CB 2.112 30.873 28.738 0.039 0.000 1.440 402 Q HN 0.609 nan 8.270 nan 0.000 0.508 403 S N -0.138 115.593 115.700 0.051 0.000 2.533 403 S HA 0.795 5.264 4.470 -0.001 0.000 0.271 403 S C -1.195 173.477 174.600 0.120 0.000 1.143 403 S CA -0.818 57.392 58.200 0.018 0.000 0.891 403 S CB 0.902 64.070 63.200 -0.053 0.000 1.105 403 S HN 0.617 nan 8.310 nan 0.000 0.468 404 F N 0.536 120.486 119.950 -0.000 0.000 2.814 404 F HA 0.945 5.472 4.527 -0.001 0.000 0.353 404 F C -0.985 174.840 175.800 0.041 0.000 1.177 404 F CA -1.194 56.825 58.000 0.030 0.000 1.036 404 F CB 0.895 39.926 39.000 0.053 0.000 1.455 404 F HN 0.716 nan 8.300 nan 0.000 0.520 405 V N -0.536 119.538 119.914 0.267 0.000 2.925 405 V HA 0.670 4.790 4.120 -0.001 0.000 0.311 405 V C -1.174 175.126 176.094 0.344 0.000 1.104 405 V CA -1.025 61.349 62.300 0.124 0.000 0.954 405 V CB 1.782 33.664 31.823 0.099 0.000 1.022 405 V HN 0.873 nan 8.190 nan 0.000 0.427 406 I N 3.447 124.160 120.570 0.238 0.000 2.428 406 I HA 0.545 4.714 4.170 -0.001 0.000 0.279 406 I C 0.258 176.488 176.117 0.187 0.000 1.040 406 I CA -0.360 61.127 61.300 0.311 0.000 1.171 406 I CB 1.153 39.373 38.000 0.367 0.000 1.312 406 I HN 0.660 nan 8.210 nan 0.000 0.470 407 R N 3.664 124.257 120.500 0.155 0.000 2.596 407 R HA 0.778 5.118 4.340 -0.001 0.000 0.267 407 R C -0.174 176.172 176.300 0.076 0.000 1.026 407 R CA -0.802 55.361 56.100 0.106 0.000 1.087 407 R CB 1.607 31.962 30.300 0.091 0.000 1.132 407 R HN 0.607 nan 8.270 nan 0.000 0.531 408 A N 2.779 125.659 122.820 0.100 0.000 2.252 408 A HA 0.297 4.616 4.320 -0.001 0.000 0.309 408 A C 0.167 177.965 177.584 0.357 0.000 1.285 408 A CA -0.624 51.501 52.037 0.148 0.000 0.900 408 A CB 0.122 19.081 19.000 -0.068 0.000 1.157 408 A HN 0.606 nan 8.150 nan 0.000 0.536 409 L N 2.352 123.703 121.223 0.215 0.000 2.667 409 L HA 0.173 4.512 4.340 -0.001 0.000 0.278 409 L C 1.413 178.304 176.870 0.034 0.000 1.217 409 L CA 1.357 56.225 54.840 0.046 0.000 0.935 409 L CB -0.263 41.664 42.059 -0.221 0.000 1.193 409 L HN 1.204 nan 8.230 nan 0.000 0.493 410 G N 3.088 111.784 108.800 -0.173 0.000 2.142 410 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.225 410 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.225 410 G C -0.404 173.970 174.900 -0.877 0.000 1.015 410 G CA -0.528 44.280 45.100 -0.487 0.000 0.716 410 G HN 0.477 nan 8.290 nan 0.000 0.508 411 F N -0.975 118.971 119.950 -0.007 0.000 2.596 411 F HA 0.504 5.031 4.527 -0.001 0.000 0.311 411 F C 1.181 176.978 175.800 -0.006 0.000 1.116 411 F CA -0.283 57.723 58.000 0.009 0.000 0.957 411 F CB 1.694 40.726 39.000 0.054 0.000 1.250 411 F HN 0.104 nan 8.300 nan 0.000 0.444 412 T N -3.362 111.288 114.554 0.160 0.000 3.113 412 T HA 0.028 4.378 4.350 -0.001 0.000 0.256 412 T C 0.066 174.819 174.700 0.089 0.000 1.131 412 T CA 0.095 62.241 62.100 0.076 0.000 1.074 412 T CB -0.499 68.388 68.868 0.032 0.000 0.944 412 T HN 0.304 nan 8.240 nan 0.000 0.516 413 D N 2.031 122.511 120.400 0.134 0.000 2.346 413 D HA 0.296 4.935 4.640 -0.001 0.000 0.260 413 D C -0.179 176.177 176.300 0.093 0.000 1.252 413 D CA -0.033 54.031 54.000 0.106 0.000 0.895 413 D CB 0.416 41.290 40.800 0.123 0.000 1.097 413 D HN 0.479 nan 8.370 nan 0.000 0.489 414 I N 2.103 122.713 120.570 0.067 0.000 2.331 414 I HA 0.124 4.293 4.170 -0.001 0.000 0.292 414 I C -0.035 176.109 176.117 0.045 0.000 0.998 414 I CA -0.844 60.489 61.300 0.055 0.000 1.267 414 I CB 1.400 39.422 38.000 0.037 0.000 1.386 414 I HN -0.037 nan 8.210 nan 0.000 0.476 415 V N 5.526 125.467 119.914 0.046 0.000 2.294 415 V HA 0.122 4.242 4.120 -0.001 0.000 0.272 415 V C 0.370 176.438 176.094 -0.043 0.000 1.027 415 V CA -0.483 61.829 62.300 0.020 0.000 0.823 415 V CB 0.840 32.697 31.823 0.057 0.000 1.030 415 V HN 0.726 nan 8.190 nan 0.000 0.457 416 T N 4.882 119.396 114.554 -0.066 0.000 2.961 416 T HA 0.142 4.492 4.350 -0.001 0.000 0.270 416 T C 0.270 174.840 174.700 -0.215 0.000 0.926 416 T CA 0.030 62.058 62.100 -0.121 0.000 1.112 416 T CB 0.012 68.832 68.868 -0.081 0.000 0.926 416 T HN 0.343 nan 8.240 nan 0.000 0.612 417 V N 5.152 124.837 119.914 -0.380 0.000 2.372 417 V HA 0.161 4.281 4.120 -0.001 0.000 0.261 417 V C 0.677 176.446 176.094 -0.542 0.000 1.055 417 V CA -0.562 61.410 62.300 -0.546 0.000 0.930 417 V CB 0.531 31.841 31.823 -0.855 0.000 1.031 417 V HN 0.762 nan 8.190 nan 0.000 0.479 418 Q N 3.926 123.521 119.800 -0.341 0.000 2.340 418 Q HA 0.482 4.821 4.340 -0.001 0.000 0.249 418 Q C -1.141 174.719 176.000 -0.234 0.000 0.957 418 Q CA -0.231 55.423 55.803 -0.247 0.000 0.882 418 Q CB 1.535 30.160 28.738 -0.189 0.000 1.235 418 Q HN 0.566 nan 8.270 nan 0.000 0.439 419 V N 5.523 125.347 119.914 -0.151 0.000 2.525 419 V HA 0.390 4.509 4.120 -0.001 0.000 0.299 419 V C -0.724 175.289 176.094 -0.135 0.000 1.034 419 V CA -0.664 61.580 62.300 -0.094 0.000 0.863 419 V CB 1.621 33.480 31.823 0.060 0.000 0.999 419 V HN 0.703 nan 8.190 nan 0.000 0.423 420 L N 6.419 127.514 121.223 -0.213 0.000 2.325 420 L HA 0.510 4.850 4.340 -0.001 0.000 0.281 420 L C -2.550 174.230 176.870 -0.150 0.000 1.004 420 L CA -1.905 52.784 54.840 -0.252 0.000 0.823 420 L CB 2.290 44.028 42.059 -0.536 0.000 1.236 420 L HN 0.381 nan 8.230 nan 0.000 0.415 421 P HA -0.028 nan 4.420 nan 0.000 0.263 421 P C -0.759 176.522 177.300 -0.032 0.000 1.345 421 P CA 0.145 63.216 63.100 -0.048 0.000 1.119 421 P CB 0.127 31.803 31.700 -0.041 0.000 1.363 422 Q N 2.972 122.771 119.800 -0.002 0.000 2.406 422 Q HA 0.194 4.534 4.340 -0.001 0.000 0.242 422 Q C -0.360 175.651 176.000 0.019 0.000 1.036 422 Q CA -0.157 55.671 55.803 0.042 0.000 0.904 422 Q CB 0.176 28.985 28.738 0.118 0.000 1.244 422 Q HN 0.449 nan 8.270 nan 0.000 0.478 423 c N 2.084 120.685 118.600 0.002 0.000 3.296 423 c HA 0.238 4.807 4.570 -0.001 0.000 0.561 423 c C 0.210 174.283 174.090 -0.029 0.000 1.292 423 c CA -0.395 55.923 56.329 -0.018 0.000 2.601 423 c CB 0.142 42.633 42.510 -0.032 0.000 3.617 423 c HN 0.653 nan 8.230 nan 0.000 0.502 424 E N 1.853 122.039 120.200 -0.024 0.000 2.534 424 E HA 0.048 4.397 4.350 -0.001 0.000 0.264 424 E C -0.200 176.386 176.600 -0.024 0.000 0.981 424 E CA 0.665 57.047 56.400 -0.030 0.000 0.948 424 E CB 0.427 30.116 29.700 -0.017 0.000 0.934 424 E HN 0.745 nan 8.360 nan 0.000 0.459 425 c N 3.117 121.691 118.600 -0.043 0.000 2.801 425 c HA 0.496 5.065 4.570 -0.001 0.000 0.296 425 c C 0.283 174.359 174.090 -0.025 0.000 1.054 425 c CA -1.265 55.044 56.329 -0.034 0.000 1.442 425 c CB -0.064 42.410 42.510 -0.059 0.000 1.860 425 c HN 0.545 nan 8.230 nan 0.000 0.459 426 R N 1.595 122.091 120.500 -0.007 0.000 2.698 426 R HA 0.377 4.717 4.340 -0.001 0.000 0.266 426 R C 0.299 176.603 176.300 0.008 0.000 1.026 426 R CA 0.242 56.342 56.100 -0.000 0.000 1.102 426 R CB 0.357 30.660 30.300 0.004 0.000 0.978 426 R HN 0.934 nan 8.270 nan 0.000 0.436 427 c N -0.138 118.471 118.600 0.015 0.000 3.489 427 c HA 0.233 4.803 4.570 -0.001 0.000 0.408 427 c C 0.309 174.417 174.090 0.030 0.000 1.581 427 c CA -0.166 56.180 56.329 0.028 0.000 2.051 427 c CB 0.417 42.952 42.510 0.041 0.000 2.483 427 c HN 0.832 nan 8.230 nan 0.000 0.495 428 R N 0.634 121.156 120.500 0.037 0.000 2.829 428 R HA 0.492 4.832 4.340 -0.001 0.000 0.267 428 R C -1.994 174.333 176.300 0.044 0.000 1.051 428 R CA -0.226 55.897 56.100 0.039 0.000 0.927 428 R CB 1.401 31.729 30.300 0.047 0.000 1.292 428 R HN 0.573 nan 8.270 nan 0.000 0.445 429 D N -1.261 119.165 120.400 0.044 0.000 2.846 429 D HA 0.039 4.679 4.640 -0.001 0.000 0.273 429 D C -0.405 175.935 176.300 0.066 0.000 1.145 429 D CA -0.612 53.411 54.000 0.040 0.000 1.091 429 D CB 0.193 40.998 40.800 0.009 0.000 1.364 429 D HN 0.508 nan 8.370 nan 0.000 0.613 430 Q N -0.371 119.460 119.800 0.052 0.000 2.211 430 Q HA 0.253 4.593 4.340 -0.001 0.000 0.231 430 Q C 0.269 176.295 176.000 0.045 0.000 0.865 430 Q CA -0.164 55.684 55.803 0.076 0.000 0.997 430 Q CB 0.097 28.886 28.738 0.085 0.000 1.101 430 Q HN 0.367 nan 8.270 nan 0.000 0.468 431 S N -0.010 115.709 115.700 0.032 0.000 2.475 431 S HA 0.078 4.547 4.470 -0.001 0.000 0.224 431 S C 0.945 175.560 174.600 0.025 0.000 1.042 431 S CA -0.176 58.038 58.200 0.023 0.000 0.935 431 S CB 0.034 63.243 63.200 0.015 0.000 0.801 431 S HN 0.299 nan 8.310 nan 0.000 0.509 432 R N 2.705 123.223 120.500 0.031 0.000 2.210 432 R HA 0.310 4.650 4.340 -0.001 0.000 0.338 432 R C -1.253 175.067 176.300 0.034 0.000 1.062 432 R CA 0.115 56.232 56.100 0.029 0.000 0.902 432 R CB -1.381 28.937 30.300 0.030 0.000 1.050 432 R HN 0.151 nan 8.270 nan 0.000 0.461 433 D N 3.607 124.023 120.400 0.027 0.000 3.293 433 D HA -0.138 4.501 4.640 -0.001 0.000 0.252 433 D C -0.181 176.135 176.300 0.026 0.000 1.073 433 D CA 0.543 54.557 54.000 0.023 0.000 0.957 433 D CB -0.442 40.370 40.800 0.019 0.000 0.987 433 D HN 0.759 nan 8.370 nan 0.000 0.422 434 R N -0.004 120.511 120.500 0.026 0.000 2.313 434 R HA 0.027 4.367 4.340 -0.001 0.000 0.199 434 R C 2.053 178.363 176.300 0.016 0.000 0.958 434 R CA 0.880 56.995 56.100 0.025 0.000 1.047 434 R CB 0.215 30.530 30.300 0.025 0.000 0.955 434 R HN 0.450 nan 8.270 nan 0.000 0.481 435 S N 0.795 116.505 115.700 0.017 0.000 2.311 435 S HA -0.009 4.461 4.470 -0.001 0.000 0.209 435 S C 1.124 175.736 174.600 0.021 0.000 1.029 435 S CA 0.066 58.282 58.200 0.027 0.000 0.968 435 S CB -0.474 62.742 63.200 0.027 0.000 0.946 435 S HN 0.074 nan 8.310 nan 0.000 0.450 436 L N 1.171 122.388 121.223 -0.009 0.000 2.503 436 L HA 0.052 4.392 4.340 -0.001 0.000 0.287 436 L C 0.837 177.638 176.870 -0.115 0.000 1.252 436 L CA -0.047 54.749 54.840 -0.073 0.000 0.835 436 L CB -0.368 41.654 42.059 -0.062 0.000 1.099 436 L HN 0.786 nan 8.230 nan 0.000 0.516 437 c N 0.188 118.648 118.600 -0.232 0.000 4.392 437 c HA -0.178 4.392 4.570 -0.001 0.000 0.280 437 c C 1.008 175.000 174.090 -0.163 0.000 1.381 437 c CA 0.347 56.544 56.329 -0.220 0.000 1.871 437 c CB -3.355 39.069 42.510 -0.144 0.000 1.323 437 c HN 1.093 nan 8.230 nan 0.000 0.772 438 H N -1.216 117.813 119.070 -0.069 0.000 2.529 438 H HA -0.132 4.423 4.556 -0.001 0.000 0.319 438 H C 1.515 176.770 175.328 -0.123 0.000 1.072 438 H CA 1.036 57.035 56.048 -0.081 0.000 1.126 438 H CB -1.091 28.626 29.762 -0.075 0.000 1.474 438 H HN 1.508 nan 8.280 nan 0.000 0.406 439 G N -0.235 108.562 108.800 -0.005 0.000 2.328 439 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.256 439 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.256 439 G C 0.724 175.565 174.900 -0.097 0.000 1.014 439 G CA 0.637 45.715 45.100 -0.037 0.000 0.620 439 G HN 0.354 nan 8.290 nan 0.000 0.530 440 K N 1.594 121.863 120.400 -0.219 0.000 3.000 440 K HA 0.578 4.898 4.320 -0.001 0.000 0.239 440 K C 0.631 177.115 176.600 -0.194 0.000 1.269 440 K CA 0.581 56.651 56.287 -0.362 0.000 1.220 440 K CB 0.250 32.063 32.500 -1.145 0.000 1.645 440 K HN 1.267 nan 8.250 nan 0.000 0.423 441 G N 0.746 109.514 108.800 -0.054 0.000 2.340 441 G HA2 0.298 4.257 3.960 -0.001 0.000 0.298 441 G HA3 0.298 4.257 3.960 -0.001 0.000 0.298 441 G C -1.232 173.699 174.900 0.053 0.000 1.498 441 G CA -1.070 44.024 45.100 -0.010 0.000 0.847 441 G HN 0.126 nan 8.290 nan 0.000 0.594 442 F N -0.821 119.121 119.950 -0.013 0.000 2.525 442 F HA 0.928 5.454 4.527 -0.001 0.000 0.346 442 F C -0.306 175.491 175.800 -0.005 0.000 1.072 442 F CA -1.579 56.415 58.000 -0.010 0.000 1.033 442 F CB 1.679 40.675 39.000 -0.005 0.000 1.324 442 F HN 0.529 nan 8.300 nan 0.000 0.491 443 L N 1.199 122.508 121.223 0.144 0.000 2.362 443 L HA 0.624 4.964 4.340 -0.001 0.000 0.271 443 L C -1.512 175.442 176.870 0.140 0.000 1.002 443 L CA -0.575 54.289 54.840 0.041 0.000 0.818 443 L CB 1.934 44.016 42.059 0.038 0.000 1.298 443 L HN 0.857 nan 8.230 nan 0.000 0.420 444 E N 3.799 124.049 120.200 0.082 0.000 2.432 444 E HA 0.282 4.632 4.350 -0.001 0.000 0.272 444 E C -0.809 175.846 176.600 0.090 0.000 0.937 444 E CA -0.400 56.059 56.400 0.100 0.000 0.812 444 E CB 0.935 30.705 29.700 0.117 0.000 1.377 444 E HN 0.736 nan 8.360 nan 0.000 0.399 445 c N 4.253 122.917 118.600 0.108 0.000 3.896 445 c HA 0.067 4.637 4.570 -0.001 0.000 0.300 445 c C 1.483 175.718 174.090 0.241 0.000 1.322 445 c CA 1.358 57.793 56.329 0.177 0.000 2.130 445 c CB -2.212 40.431 42.510 0.222 0.000 1.363 445 c HN 1.285 nan 8.230 nan 0.000 0.642 446 G N 0.454 109.339 108.800 0.142 0.000 4.794 446 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.275 446 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.275 446 G C 0.221 175.178 174.900 0.095 0.000 1.648 446 G CA 0.359 45.527 45.100 0.113 0.000 1.154 446 G HN 1.926 nan 8.290 nan 0.000 0.680 447 I N 0.527 121.187 120.570 0.150 0.000 3.205 447 I HA 0.401 4.570 4.170 -0.001 0.000 0.287 447 I C 0.353 176.467 176.117 -0.004 0.000 1.266 447 I CA -0.117 61.239 61.300 0.094 0.000 1.378 447 I CB 0.121 38.232 38.000 0.186 0.000 1.347 447 I HN 0.477 nan 8.210 nan 0.000 0.603 448 c N 3.807 122.359 118.600 -0.079 0.000 2.369 448 c HA 0.518 5.088 4.570 -0.001 0.000 0.322 448 c C 0.145 174.049 174.090 -0.310 0.000 1.258 448 c CA -0.711 55.492 56.329 -0.210 0.000 1.487 448 c CB 0.725 43.129 42.510 -0.178 0.000 2.165 448 c HN 0.730 nan 8.230 nan 0.000 0.483 449 R N 1.905 122.025 120.500 -0.634 0.000 2.205 449 R HA 0.436 4.776 4.340 -0.001 0.000 0.342 449 R C -0.270 175.669 176.300 -0.601 0.000 1.058 449 R CA -0.259 55.466 56.100 -0.624 0.000 0.904 449 R CB 0.351 30.227 30.300 -0.706 0.000 1.089 449 R HN 0.750 nan 8.270 nan 0.000 0.471 450 c N 1.704 120.173 118.600 -0.219 0.000 2.560 450 c HA 0.162 4.732 4.570 -0.001 0.000 0.334 450 c C 0.969 175.107 174.090 0.080 0.000 1.404 450 c CA -0.748 55.550 56.329 -0.053 0.000 2.410 450 c CB 0.197 42.733 42.510 0.043 0.000 2.268 450 c HN 0.684 nan 8.230 nan 0.000 0.673 451 D N 0.395 120.909 120.400 0.190 0.000 2.398 451 D HA 0.172 4.812 4.640 -0.001 0.000 0.264 451 D C 1.480 177.877 176.300 0.162 0.000 1.263 451 D CA 0.222 54.356 54.000 0.224 0.000 1.037 451 D CB -0.156 40.832 40.800 0.312 0.000 1.101 451 D HN 0.742 nan 8.370 nan 0.000 0.551 452 T N -2.858 111.770 114.554 0.124 0.000 2.759 452 T HA -0.079 4.271 4.350 -0.001 0.000 0.269 452 T C 1.638 176.353 174.700 0.025 0.000 1.042 452 T CA 1.212 63.353 62.100 0.067 0.000 1.140 452 T CB -0.479 68.418 68.868 0.047 0.000 0.864 452 T HN 0.467 nan 8.240 nan 0.000 0.455 453 G N -0.966 107.828 108.800 -0.010 0.000 3.044 453 G HA2 0.372 4.331 3.960 -0.001 0.000 0.223 453 G HA3 0.372 4.331 3.960 -0.001 0.000 0.223 453 G C -0.277 174.433 174.900 -0.316 0.000 1.123 453 G CA -0.522 44.471 45.100 -0.179 0.000 0.765 453 G HN 0.513 nan 8.290 nan 0.000 0.546 454 Y N 0.212 120.527 120.300 0.025 0.000 2.409 454 Y HA 0.665 5.214 4.550 -0.001 0.000 0.339 454 Y C -0.010 175.894 175.900 0.007 0.000 1.033 454 Y CA -1.095 57.018 58.100 0.021 0.000 1.094 454 Y CB 1.888 40.363 38.460 0.025 0.000 1.210 454 Y HN -0.171 nan 8.280 nan 0.000 0.456 455 I N 1.258 121.918 120.570 0.151 0.000 3.095 455 I HA 0.775 4.945 4.170 -0.001 0.000 0.310 455 I C 0.115 176.269 176.117 0.062 0.000 1.196 455 I CA -0.781 60.564 61.300 0.075 0.000 0.985 455 I CB 1.815 39.840 38.000 0.040 0.000 1.250 455 I HN 0.712 nan 8.210 nan 0.000 0.446 456 G N 3.142 111.958 108.800 0.025 0.000 2.406 456 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.680 456 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.680 456 G C -0.018 174.873 174.900 -0.016 0.000 1.338 456 G CA -0.167 44.940 45.100 0.011 0.000 0.941 456 G HN 0.893 nan 8.290 nan 0.000 0.633 457 K N -0.972 119.414 120.400 -0.022 0.000 2.555 457 K HA 0.116 4.436 4.320 -0.001 0.000 0.193 457 K C 0.596 177.156 176.600 -0.066 0.000 1.032 457 K CA 1.116 57.384 56.287 -0.032 0.000 1.004 457 K CB 0.192 32.681 32.500 -0.019 0.000 0.804 457 K HN 0.244 nan 8.250 nan 0.000 0.496 458 N N 0.509 119.153 118.700 -0.094 0.000 2.475 458 N HA 0.093 4.833 4.740 -0.001 0.000 0.272 458 N C -0.789 174.589 175.510 -0.219 0.000 1.482 458 N CA -0.150 52.788 53.050 -0.188 0.000 0.863 458 N CB 0.617 38.952 38.487 -0.254 0.000 1.400 458 N HN 0.169 nan 8.380 nan 0.000 0.489 459 c N 2.190 120.730 118.600 -0.100 0.000 3.995 459 c HA -0.153 4.417 4.570 -0.001 0.000 0.295 459 c C 2.080 176.201 174.090 0.051 0.000 1.484 459 c CA 1.205 57.519 56.329 -0.024 0.000 2.047 459 c CB -1.741 40.717 42.510 -0.086 0.000 1.292 459 c HN 0.580 nan 8.230 nan 0.000 0.735 460 E N -0.827 119.414 120.200 0.068 0.000 2.170 460 E HA -0.032 4.318 4.350 -0.001 0.000 0.191 460 E C 0.919 177.649 176.600 0.216 0.000 0.981 460 E CA 0.892 57.455 56.400 0.271 0.000 0.830 460 E CB -0.207 29.635 29.700 0.237 0.000 0.775 460 E HN 0.721 nan 8.360 nan 0.000 0.470 461 c N 1.067 119.758 118.600 0.152 0.000 2.347 461 c HA 0.527 5.097 4.570 -0.001 0.000 0.366 461 c C 0.239 174.423 174.090 0.156 0.000 1.241 461 c CA -0.524 55.880 56.329 0.126 0.000 2.360 461 c CB 1.057 43.611 42.510 0.074 0.000 2.290 461 c HN 0.491 nan 8.230 nan 0.000 0.587 462 Q N -0.388 119.461 119.800 0.082 0.000 2.399 462 Q HA 0.354 4.694 4.340 -0.001 0.000 0.276 462 Q C 0.381 176.369 176.000 -0.021 0.000 1.098 462 Q CA -0.245 55.558 55.803 -0.001 0.000 0.827 462 Q CB 1.572 30.263 28.738 -0.078 0.000 1.386 462 Q HN 0.841 nan 8.270 nan 0.000 0.443 463 T N -0.329 114.191 114.554 -0.057 0.000 3.496 463 T HA 0.127 4.477 4.350 -0.001 0.000 0.253 463 T C -0.164 174.516 174.700 -0.032 0.000 1.134 463 T CA 0.242 62.322 62.100 -0.032 0.000 0.993 463 T CB -0.188 68.661 68.868 -0.033 0.000 1.018 463 T HN 0.442 nan 8.240 nan 0.000 0.571 464 Q N 0.718 120.497 119.800 -0.036 0.000 2.274 464 Q HA 0.545 4.885 4.340 -0.001 0.000 0.268 464 Q C -0.019 175.975 176.000 -0.009 0.000 1.015 464 Q CA -0.859 54.930 55.803 -0.023 0.000 0.775 464 Q CB 2.084 30.801 28.738 -0.035 0.000 1.256 464 Q HN 0.480 nan 8.270 nan 0.000 0.442 465 G N 3.151 111.951 108.800 -0.000 0.000 2.920 465 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.210 465 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.210 465 G C -0.697 174.209 174.900 0.011 0.000 0.806 465 G CA -0.273 44.830 45.100 0.005 0.000 0.853 465 G HN 0.480 nan 8.290 nan 0.000 0.333 466 R N 0.224 120.732 120.500 0.014 0.000 2.739 466 R HA 0.743 5.083 4.340 -0.001 0.000 0.266 466 R C -0.857 175.453 176.300 0.018 0.000 1.044 466 R CA -0.561 55.550 56.100 0.018 0.000 0.885 466 R CB 1.919 32.232 30.300 0.022 0.000 1.260 466 R HN 0.985 nan 8.270 nan 0.000 0.477 467 S N -0.056 115.654 115.700 0.018 0.000 2.744 467 S HA 0.281 4.751 4.470 -0.001 0.000 0.284 467 S C -1.502 173.108 174.600 0.016 0.000 0.979 467 S CA -0.696 57.514 58.200 0.017 0.000 0.870 467 S CB 1.649 64.859 63.200 0.017 0.000 1.094 467 S HN 0.569 nan 8.310 nan 0.000 0.458 468 S N 0.762 116.471 115.700 0.015 0.000 2.810 468 S HA 0.510 4.980 4.470 -0.001 0.000 0.315 468 S C 0.804 175.412 174.600 0.013 0.000 1.138 468 S CA -0.778 57.430 58.200 0.014 0.000 0.889 468 S CB 1.772 64.980 63.200 0.014 0.000 1.236 468 S HN 0.800 nan 8.310 nan 0.000 0.548 469 Q N 0.800 120.607 119.800 0.011 0.000 1.922 469 Q HA 0.105 4.445 4.340 -0.001 0.000 0.201 469 Q C 0.743 176.750 176.000 0.011 0.000 0.979 469 Q CA 1.332 57.142 55.803 0.010 0.000 0.841 469 Q CB -0.149 28.595 28.738 0.009 0.000 0.903 469 Q HN 0.689 nan 8.270 nan 0.000 0.431 470 E N 0.248 120.454 120.200 0.010 0.000 2.444 470 E HA 0.079 4.428 4.350 -0.001 0.000 0.191 470 E C 1.569 178.176 176.600 0.012 0.000 1.041 470 E CA -0.234 56.173 56.400 0.011 0.000 0.883 470 E CB 0.348 30.052 29.700 0.008 0.000 1.024 470 E HN 0.455 nan 8.360 nan 0.000 0.470 471 L N 0.463 121.694 121.223 0.012 0.000 2.275 471 L HA -0.105 4.235 4.340 -0.001 0.000 0.215 471 L C 1.314 178.193 176.870 0.015 0.000 1.119 471 L CA 1.013 55.860 54.840 0.012 0.000 0.790 471 L CB -0.168 41.897 42.059 0.011 0.000 0.919 471 L HN 0.094 nan 8.230 nan 0.000 0.443 472 E N 0.123 120.335 120.200 0.019 0.000 2.382 472 E HA -0.017 4.333 4.350 -0.001 0.000 0.190 472 E C 1.712 178.335 176.600 0.039 0.000 1.125 472 E CA 0.192 56.609 56.400 0.028 0.000 0.929 472 E CB 0.080 29.795 29.700 0.025 0.000 1.053 472 E HN 0.459 nan 8.360 nan 0.000 0.475 473 G N 0.970 109.791 108.800 0.035 0.000 2.551 473 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.214 473 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.214 473 G C 1.395 176.339 174.900 0.075 0.000 1.250 473 G CA 0.176 45.300 45.100 0.041 0.000 0.825 473 G HN 0.283 nan 8.290 nan 0.000 0.549 474 S N -0.856 114.887 115.700 0.072 0.000 2.720 474 S HA -0.027 4.443 4.470 -0.001 0.000 0.222 474 S C 1.753 176.444 174.600 0.152 0.000 0.958 474 S CA 0.489 58.763 58.200 0.125 0.000 0.943 474 S CB -0.757 62.471 63.200 0.047 0.000 0.779 474 S HN 0.401 nan 8.310 nan 0.000 0.526 475 c N 2.134 120.808 118.600 0.123 0.000 2.618 475 c HA 0.347 4.917 4.570 -0.001 0.000 0.264 475 c C 0.908 175.160 174.090 0.270 0.000 1.334 475 c CA -0.391 56.005 56.329 0.111 0.000 1.731 475 c CB -1.335 41.205 42.510 0.051 0.000 1.852 475 c HN 0.681 nan 8.230 nan 0.000 0.566 476 R N -0.092 120.583 120.500 0.291 0.000 2.575 476 R HA 0.392 4.732 4.340 -0.001 0.000 0.293 476 R C 0.816 177.062 176.300 -0.090 0.000 0.983 476 R CA -0.566 55.630 56.100 0.160 0.000 0.887 476 R CB 0.709 31.034 30.300 0.041 0.000 1.184 476 R HN 0.256 nan 8.270 nan 0.000 0.445 477 K N 0.911 120.880 120.400 -0.718 0.000 2.074 477 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 477 K C -0.331 176.058 176.600 -0.351 0.000 1.048 477 K CA 1.792 57.476 56.287 -1.004 0.000 0.926 477 K CB -0.315 31.593 32.500 -0.987 0.000 0.713 477 K HN 0.792 nan 8.250 nan 0.000 0.444 478 D N -1.907 118.360 120.400 -0.221 0.000 2.610 478 D HA 0.061 4.701 4.640 -0.001 0.000 0.271 478 D C -0.002 176.256 176.300 -0.071 0.000 1.174 478 D CA -0.925 53.005 54.000 -0.116 0.000 0.949 478 D CB 0.456 41.192 40.800 -0.106 0.000 1.430 478 D HN -0.095 nan 8.370 nan 0.000 0.467 479 N N -0.612 118.060 118.700 -0.046 0.000 2.205 479 N HA -0.126 4.614 4.740 -0.001 0.000 0.186 479 N C -0.046 175.446 175.510 -0.029 0.000 1.015 479 N CA 1.064 54.097 53.050 -0.029 0.000 0.862 479 N CB -0.258 38.216 38.487 -0.021 0.000 0.986 479 N HN 0.344 nan 8.380 nan 0.000 0.429 480 N N -0.668 118.010 118.700 -0.037 0.000 2.376 480 N HA 0.079 4.819 4.740 -0.001 0.000 0.249 480 N C -1.090 174.396 175.510 -0.040 0.000 1.140 480 N CA -0.034 52.997 53.050 -0.033 0.000 0.870 480 N CB 0.517 38.987 38.487 -0.029 0.000 1.124 480 N HN 0.046 nan 8.380 nan 0.000 0.505 481 S N 0.005 115.676 115.700 -0.049 0.000 2.532 481 S HA 0.511 4.980 4.470 -0.001 0.000 0.301 481 S C -0.211 174.370 174.600 -0.032 0.000 1.083 481 S CA -0.841 57.325 58.200 -0.056 0.000 1.025 481 S CB 1.056 64.195 63.200 -0.103 0.000 1.056 481 S HN 0.246 nan 8.310 nan 0.000 0.494 482 I N 4.615 125.171 120.570 -0.022 0.000 2.575 482 I HA 0.329 4.499 4.170 -0.001 0.000 0.285 482 I C -0.087 176.035 176.117 0.008 0.000 1.085 482 I CA -0.746 60.551 61.300 -0.004 0.000 1.403 482 I CB 0.463 38.462 38.000 -0.001 0.000 1.409 482 I HN 0.674 nan 8.210 nan 0.000 0.557 483 I N 7.313 127.895 120.570 0.019 0.000 2.821 483 I HA -0.160 4.009 4.170 -0.001 0.000 0.294 483 I C 1.100 177.239 176.117 0.037 0.000 1.210 483 I CA 0.168 61.489 61.300 0.036 0.000 1.430 483 I CB -0.139 37.880 38.000 0.031 0.000 1.356 483 I HN 0.869 nan 8.210 nan 0.000 0.563 484 c N 4.602 123.243 118.600 0.069 0.000 4.297 484 c HA -0.233 4.337 4.570 -0.001 0.000 0.290 484 c C 1.434 175.539 174.090 0.026 0.000 1.444 484 c CA 0.701 57.059 56.329 0.048 0.000 1.982 484 c CB -3.156 39.336 42.510 -0.030 0.000 1.276 484 c HN 1.088 nan 8.230 nan 0.000 0.797 485 S N -1.735 113.985 115.700 0.034 0.000 3.477 485 S HA -0.051 4.419 4.470 -0.001 0.000 0.357 485 S C 1.101 175.699 174.600 -0.003 0.000 1.083 485 S CA 1.349 59.553 58.200 0.006 0.000 1.042 485 S CB -1.590 61.613 63.200 0.005 0.000 0.911 485 S HN 2.609 nan 8.310 nan 0.000 0.490 486 G N 0.383 109.186 108.800 0.005 0.000 2.907 486 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.242 486 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.242 486 G C 0.140 175.039 174.900 -0.003 0.000 1.448 486 G CA -0.284 44.829 45.100 0.022 0.000 0.911 486 G HN 1.528 nan 8.290 nan 0.000 0.553 487 L N -2.169 119.105 121.223 0.085 0.000 3.843 487 L HA -0.090 4.249 4.340 -0.001 0.000 0.411 487 L C 0.998 177.624 176.870 -0.406 0.000 1.205 487 L CA 1.102 56.011 54.840 0.116 0.000 0.945 487 L CB -1.893 40.195 42.059 0.047 0.000 1.929 487 L HN 2.245 nan 8.230 nan 0.000 0.934 488 G N 0.187 108.533 108.800 -0.757 0.000 2.524 488 G HA2 0.495 4.455 3.960 -0.001 0.000 0.306 488 G HA3 0.495 4.455 3.960 -0.001 0.000 0.306 488 G C -1.295 173.368 174.900 -0.394 0.000 1.420 488 G CA -0.373 44.246 45.100 -0.803 0.000 1.086 488 G HN 0.182 nan 8.290 nan 0.000 0.591 489 D N 0.309 120.556 120.400 -0.255 0.000 2.274 489 D HA 0.431 5.071 4.640 -0.001 0.000 0.239 489 D C 0.431 176.721 176.300 -0.017 0.000 1.104 489 D CA -0.676 53.330 54.000 0.009 0.000 0.840 489 D CB 1.502 42.399 40.800 0.162 0.000 1.100 489 D HN 0.411 nan 8.370 nan 0.000 0.477 490 c N 3.119 121.715 118.600 -0.006 0.000 2.585 490 c HA 0.548 5.118 4.570 -0.001 0.000 0.406 490 c C -0.280 173.812 174.090 0.003 0.000 1.312 490 c CA -0.112 56.212 56.329 -0.008 0.000 1.924 490 c CB -0.815 41.697 42.510 0.003 0.000 2.578 490 c HN 0.503 nan 8.230 nan 0.000 0.580 491 V N 6.323 126.236 119.914 -0.003 0.000 2.569 491 V HA 0.362 4.482 4.120 -0.001 0.000 0.301 491 V C 0.260 176.356 176.094 0.004 0.000 1.044 491 V CA -0.597 61.707 62.300 0.007 0.000 0.874 491 V CB 1.198 33.028 31.823 0.011 0.000 1.002 491 V HN 1.159 nan 8.190 nan 0.000 0.424 492 c N 5.056 123.662 118.600 0.010 0.000 4.209 492 c HA -0.068 4.501 4.570 -0.001 0.000 0.305 492 c C 1.800 175.889 174.090 -0.002 0.000 1.339 492 c CA 1.551 57.886 56.329 0.009 0.000 2.062 492 c CB -1.891 40.628 42.510 0.015 0.000 1.307 492 c HN 2.027 nan 8.230 nan 0.000 0.706 493 G N -0.384 108.414 108.800 -0.003 0.000 2.812 493 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 493 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 493 G C 0.056 174.939 174.900 -0.028 0.000 1.275 493 G CA 1.063 46.157 45.100 -0.010 0.000 0.769 493 G HN 1.125 nan 8.290 nan 0.000 0.527 494 Q N 0.203 119.977 119.800 -0.043 0.000 2.162 494 Q HA 0.703 5.043 4.340 -0.001 0.000 0.197 494 Q C -0.184 175.774 176.000 -0.070 0.000 1.013 494 Q CA -0.422 55.333 55.803 -0.079 0.000 1.040 494 Q CB 1.162 29.855 28.738 -0.076 0.000 1.114 494 Q HN 0.440 nan 8.270 nan 0.000 0.547 495 c N 0.536 119.077 118.600 -0.097 0.000 2.493 495 c HA 0.610 5.180 4.570 -0.001 0.000 0.326 495 c C -0.758 173.285 174.090 -0.078 0.000 1.200 495 c CA -0.744 55.534 56.329 -0.086 0.000 1.739 495 c CB 1.000 43.449 42.510 -0.102 0.000 2.300 495 c HN 0.742 nan 8.230 nan 0.000 0.500 496 L N 3.074 124.250 121.223 -0.078 0.000 2.356 496 L HA 0.471 4.811 4.340 -0.001 0.000 0.264 496 L C -0.136 176.663 176.870 -0.119 0.000 1.029 496 L CA -0.032 54.770 54.840 -0.063 0.000 0.897 496 L CB -0.170 41.877 42.059 -0.020 0.000 1.256 496 L HN 0.870 nan 8.230 nan 0.000 0.444 497 c N 3.222 121.751 118.600 -0.119 0.000 2.563 497 c HA 0.067 4.637 4.570 -0.001 0.000 0.411 497 c C 1.059 175.094 174.090 -0.091 0.000 1.386 497 c CA -0.147 56.085 56.329 -0.161 0.000 1.703 497 c CB -1.307 41.155 42.510 -0.080 0.000 2.596 497 c HN 0.738 nan 8.230 nan 0.000 0.605 498 H N 0.718 119.788 119.070 -0.001 0.000 2.730 498 H HA 0.373 4.929 4.556 -0.001 0.000 0.376 498 H C 0.863 176.194 175.328 0.004 0.000 1.299 498 H CA 0.406 56.454 56.048 0.001 0.000 1.447 498 H CB 0.471 30.233 29.762 -0.000 0.000 1.493 498 H HN 0.769 nan 8.280 nan 0.000 0.619 499 T N -1.428 113.215 114.554 0.149 0.000 2.888 499 T HA 0.437 4.786 4.350 -0.001 0.000 0.284 499 T C -0.193 174.543 174.700 0.060 0.000 1.017 499 T CA -1.078 61.070 62.100 0.080 0.000 1.022 499 T CB 1.720 70.623 68.868 0.058 0.000 1.013 499 T HN 0.436 nan 8.240 nan 0.000 0.465 500 S N 1.479 117.207 115.700 0.047 0.000 2.605 500 S HA 0.382 4.851 4.470 -0.001 0.000 0.308 500 S C -0.541 174.076 174.600 0.027 0.000 1.113 500 S CA -0.823 57.396 58.200 0.033 0.000 1.049 500 S CB 0.539 63.758 63.200 0.032 0.000 1.001 500 S HN 0.828 nan 8.310 nan 0.000 0.480 501 D N 3.648 124.059 120.400 0.019 0.000 3.032 501 D HA 0.200 4.839 4.640 -0.001 0.000 0.241 501 D C -0.230 176.078 176.300 0.014 0.000 1.196 501 D CA -0.210 53.800 54.000 0.017 0.000 0.927 501 D CB -0.211 40.597 40.800 0.012 0.000 1.129 501 D HN 0.151 nan 8.370 nan 0.000 0.458 502 V N 0.779 120.703 119.914 0.016 0.000 2.487 502 V HA 0.334 4.454 4.120 -0.001 0.000 0.298 502 V C -2.208 173.894 176.094 0.014 0.000 1.028 502 V CA -2.105 60.203 62.300 0.013 0.000 0.860 502 V CB 1.989 33.819 31.823 0.011 0.000 0.991 502 V HN 0.068 nan 8.190 nan 0.000 0.427 503 P HA 0.120 nan 4.420 nan 0.000 0.257 503 P C 1.069 178.374 177.300 0.008 0.000 1.162 503 P CA 1.918 65.024 63.100 0.010 0.000 0.762 503 P CB 0.215 31.919 31.700 0.007 0.000 0.753 504 G N 2.591 111.397 108.800 0.010 0.000 2.812 504 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.219 504 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.219 504 G C 0.386 175.293 174.900 0.011 0.000 1.275 504 G CA 0.271 45.372 45.100 0.002 0.000 0.769 504 G HN 0.723 nan 8.290 nan 0.000 0.527 505 K N 0.756 121.166 120.400 0.015 0.000 2.543 505 K HA 0.375 4.695 4.320 -0.001 0.000 0.279 505 K C -0.519 176.107 176.600 0.043 0.000 1.001 505 K CA 0.799 57.100 56.287 0.024 0.000 1.088 505 K CB 0.196 32.709 32.500 0.021 0.000 0.863 505 K HN 1.331 nan 8.250 nan 0.000 0.488 506 L N 6.184 127.443 121.223 0.061 0.000 2.751 506 L HA 0.396 4.736 4.340 -0.001 0.000 0.261 506 L C -1.681 175.267 176.870 0.129 0.000 0.927 506 L CA -0.463 54.434 54.840 0.095 0.000 0.968 506 L CB 1.068 43.197 42.059 0.116 0.000 1.432 506 L HN 0.534 nan 8.230 nan 0.000 0.439 507 I N 5.142 125.758 120.570 0.077 0.000 2.577 507 I HA 0.569 4.738 4.170 -0.001 0.000 0.300 507 I C -0.328 175.836 176.117 0.078 0.000 0.990 507 I CA -0.273 61.027 61.300 0.000 0.000 1.283 507 I CB 1.282 39.260 38.000 -0.036 0.000 1.411 507 I HN 0.832 nan 8.210 nan 0.000 0.515 508 Y N 1.179 121.432 120.300 -0.078 0.000 2.702 508 Y HA 0.707 5.256 4.550 -0.001 0.000 0.336 508 Y C -0.470 175.392 175.900 -0.064 0.000 1.203 508 Y CA -0.992 57.040 58.100 -0.113 0.000 1.072 508 Y CB 0.991 39.325 38.460 -0.210 0.000 1.327 508 Y HN 0.965 nan 8.280 nan 0.000 0.456 509 G N 0.896 109.764 108.800 0.114 0.000 2.406 509 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.680 509 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.680 509 G C -0.413 174.458 174.900 -0.049 0.000 1.338 509 G CA -0.276 44.855 45.100 0.052 0.000 0.941 509 G HN 0.901 nan 8.290 nan 0.000 0.633 510 Q N -0.639 119.083 119.800 -0.130 0.000 2.061 510 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 510 Q C 1.307 177.001 176.000 -0.510 0.000 0.984 510 Q CA 2.325 57.879 55.803 -0.415 0.000 0.846 510 Q CB -0.040 28.254 28.738 -0.740 0.000 0.902 510 Q HN 0.695 nan 8.270 nan 0.000 0.421 511 Y N -2.052 118.228 120.300 -0.034 0.000 2.658 511 Y HA 0.270 4.820 4.550 -0.001 0.000 0.276 511 Y C 0.167 176.021 175.900 -0.078 0.000 1.167 511 Y CA -0.926 57.144 58.100 -0.050 0.000 1.230 511 Y CB 0.019 38.455 38.460 -0.040 0.000 1.144 511 Y HN 0.036 nan 8.280 nan 0.000 0.529 512 c N 2.915 121.513 118.600 -0.003 0.000 4.056 512 c HA -0.205 4.365 4.570 -0.001 0.000 0.302 512 c C 1.832 175.877 174.090 -0.076 0.000 1.356 512 c CA 1.069 57.354 56.329 -0.073 0.000 2.074 512 c CB -1.648 40.800 42.510 -0.102 0.000 1.328 512 c HN 0.744 nan 8.230 nan 0.000 0.684 513 E N -1.718 118.438 120.200 -0.073 0.000 2.307 513 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 513 E C 0.608 177.103 176.600 -0.174 0.000 0.975 513 E CA 0.412 56.765 56.400 -0.077 0.000 0.878 513 E CB 0.015 29.708 29.700 -0.013 0.000 0.845 513 E HN 0.692 nan 8.360 nan 0.000 0.488 514 c N 3.022 121.407 118.600 -0.358 0.000 2.365 514 c HA 0.513 5.083 4.570 -0.001 0.000 0.351 514 c C -0.293 173.347 174.090 -0.751 0.000 1.240 514 c CA -0.587 55.408 56.329 -0.557 0.000 2.062 514 c CB 0.617 42.682 42.510 -0.741 0.000 2.387 514 c HN 0.519 nan 8.230 nan 0.000 0.537 515 D N -0.204 119.980 120.400 -0.360 0.000 2.531 515 D HA 0.441 5.081 4.640 -0.001 0.000 0.244 515 D C -0.291 176.049 176.300 0.066 0.000 1.090 515 D CA -0.484 53.437 54.000 -0.131 0.000 0.989 515 D CB 0.753 41.510 40.800 -0.072 0.000 1.433 515 D HN 0.456 nan 8.370 nan 0.000 0.492 516 T N -2.275 112.337 114.554 0.096 0.000 3.256 516 T HA 0.458 4.808 4.350 -0.001 0.000 0.249 516 T C 0.748 175.419 174.700 -0.049 0.000 0.975 516 T CA -0.388 61.702 62.100 -0.015 0.000 1.011 516 T CB -1.103 67.711 68.868 -0.090 0.000 1.127 516 T HN 0.534 nan 8.240 nan 0.000 0.543 517 I N -3.881 116.676 120.570 -0.021 0.000 5.183 517 I HA 0.510 4.680 4.170 -0.001 0.000 0.343 517 I C -0.030 176.084 176.117 -0.005 0.000 1.230 517 I CA -0.231 61.060 61.300 -0.016 0.000 1.473 517 I CB 0.088 38.084 38.000 -0.006 0.000 1.569 517 I HN 0.078 nan 8.210 nan 0.000 0.544 518 N N 1.781 120.479 118.700 -0.002 0.000 3.229 518 N HA 0.447 5.187 4.740 -0.001 0.000 0.275 518 N C -0.892 174.627 175.510 0.015 0.000 1.225 518 N CA -0.096 52.957 53.050 0.004 0.000 1.119 518 N CB 0.115 38.601 38.487 -0.002 0.000 1.392 518 N HN 0.468 nan 8.380 nan 0.000 0.520 519 c N -0.434 118.178 118.600 0.020 0.000 3.292 519 c HA 0.469 5.039 4.570 -0.001 0.000 0.369 519 c C 0.367 174.480 174.090 0.039 0.000 2.360 519 c CA -0.906 55.443 56.329 0.034 0.000 1.526 519 c CB 0.982 43.515 42.510 0.038 0.000 2.784 519 c HN 0.501 nan 8.230 nan 0.000 0.490 520 E N 0.775 121.005 120.200 0.051 0.000 2.283 520 E HA 0.335 4.685 4.350 -0.001 0.000 0.278 520 E C -0.111 176.536 176.600 0.078 0.000 1.027 520 E CA -0.118 56.318 56.400 0.061 0.000 0.843 520 E CB 0.617 30.358 29.700 0.069 0.000 1.062 520 E HN 0.356 nan 8.360 nan 0.000 0.401 521 R N 2.251 122.800 120.500 0.081 0.000 2.517 521 R HA 0.376 4.716 4.340 -0.001 0.000 0.250 521 R C -1.008 175.405 176.300 0.190 0.000 1.213 521 R CA -0.466 55.696 56.100 0.102 0.000 1.146 521 R CB 0.668 31.005 30.300 0.063 0.000 1.279 521 R HN 0.595 nan 8.270 nan 0.000 0.597 522 Y N 0.137 120.450 120.300 0.022 0.000 2.273 522 Y HA 0.020 4.569 4.550 -0.001 0.000 0.316 522 Y C -1.015 174.900 175.900 0.024 0.000 1.294 522 Y CA -0.664 57.453 58.100 0.028 0.000 1.198 522 Y CB 0.703 39.186 38.460 0.039 0.000 1.299 522 Y HN 0.838 nan 8.280 nan 0.000 0.413 523 N N 4.263 122.789 118.700 -0.290 0.000 2.725 523 N HA -0.164 4.576 4.740 -0.001 0.000 0.251 523 N C 0.567 176.078 175.510 0.001 0.000 1.031 523 N CA 2.318 55.281 53.050 -0.145 0.000 0.720 523 N CB -1.107 37.366 38.487 -0.022 0.000 0.930 523 N HN 1.868 nan 8.380 nan 0.000 0.543 524 G N -0.567 108.229 108.800 -0.006 0.000 2.283 524 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.280 524 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.280 524 G C -0.267 174.657 174.900 0.040 0.000 1.029 524 G CA 0.938 46.046 45.100 0.014 0.000 0.840 524 G HN 0.743 nan 8.290 nan 0.000 0.505 525 Q N -1.525 118.319 119.800 0.074 0.000 2.379 525 Q HA 0.514 4.854 4.340 -0.001 0.000 0.278 525 Q C 0.163 176.210 176.000 0.079 0.000 1.068 525 Q CA -0.863 54.985 55.803 0.074 0.000 0.816 525 Q CB 2.927 31.719 28.738 0.089 0.000 1.387 525 Q HN 0.690 nan 8.270 nan 0.000 0.413 526 V N -1.340 118.602 119.914 0.046 0.000 2.450 526 V HA 0.060 4.180 4.120 -0.001 0.000 0.281 526 V C 0.564 176.676 176.094 0.030 0.000 1.019 526 V CA -0.521 61.798 62.300 0.033 0.000 1.062 526 V CB -0.075 31.752 31.823 0.006 0.000 0.979 526 V HN 1.069 nan 8.190 nan 0.000 0.477 527 c N 3.335 121.962 118.600 0.045 0.000 4.259 527 c HA -0.087 4.483 4.570 -0.001 0.000 0.294 527 c C 1.671 175.762 174.090 0.000 0.000 1.459 527 c CA 1.151 57.498 56.329 0.030 0.000 2.016 527 c CB -2.363 40.152 42.510 0.007 0.000 1.274 527 c HN 2.672 nan 8.230 nan 0.000 0.792 528 G N -1.537 107.289 108.800 0.043 0.000 2.203 528 G HA2 0.402 4.362 3.960 -0.001 0.000 0.231 528 G HA3 0.402 4.362 3.960 -0.001 0.000 0.231 528 G C 0.968 175.867 174.900 -0.001 0.000 1.058 528 G CA 0.534 45.632 45.100 -0.004 0.000 0.781 528 G HN 2.808 nan 8.290 nan 0.000 0.496 529 G N -0.452 108.365 108.800 0.029 0.000 2.894 529 G HA2 0.074 4.034 3.960 -0.001 0.000 0.247 529 G HA3 0.074 4.034 3.960 -0.001 0.000 0.247 529 G C -0.537 174.360 174.900 -0.004 0.000 1.442 529 G CA 0.319 45.427 45.100 0.014 0.000 0.897 529 G HN 0.846 nan 8.290 nan 0.000 0.550 530 P HA 0.001 nan 4.420 nan 0.000 0.223 530 P C 1.862 179.164 177.300 0.002 0.000 1.151 530 P CA 1.961 65.072 63.100 0.018 0.000 0.787 530 P CB -0.256 31.446 31.700 0.004 0.000 0.788 531 G N 0.927 109.685 108.800 -0.071 0.000 2.464 531 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.214 531 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.214 531 G C 1.802 176.526 174.900 -0.293 0.000 1.218 531 G CA 0.460 45.453 45.100 -0.179 0.000 0.794 531 G HN 0.169 nan 8.290 nan 0.000 0.542 532 R N 0.148 120.470 120.500 -0.296 0.000 2.082 532 R HA 0.170 4.509 4.340 -0.001 0.000 0.228 532 R C 1.525 177.682 176.300 -0.239 0.000 1.140 532 R CA 1.154 56.908 56.100 -0.576 0.000 0.920 532 R CB -0.468 29.589 30.300 -0.405 0.000 0.828 532 R HN 0.422 nan 8.270 nan 0.000 0.430 533 G N -1.104 107.647 108.800 -0.083 0.000 2.975 533 G HA2 0.622 4.581 3.960 -0.001 0.000 0.291 533 G HA3 0.622 4.581 3.960 -0.001 0.000 0.291 533 G C -1.529 173.323 174.900 -0.080 0.000 1.334 533 G CA -0.699 44.343 45.100 -0.096 0.000 0.843 533 G HN 0.018 nan 8.290 nan 0.000 0.548 534 L N -1.217 119.961 121.223 -0.075 0.000 2.303 534 L HA 0.630 4.970 4.340 -0.001 0.000 0.256 534 L C -0.844 176.030 176.870 0.007 0.000 1.034 534 L CA -0.939 53.886 54.840 -0.025 0.000 0.832 534 L CB 2.515 44.615 42.059 0.069 0.000 1.403 534 L HN 0.677 nan 8.230 nan 0.000 0.419 535 c N 0.930 119.409 118.600 -0.202 0.000 2.382 535 c HA 0.724 5.294 4.570 -0.001 0.000 0.327 535 c C -1.058 172.748 174.090 -0.474 0.000 1.250 535 c CA -0.523 55.704 56.329 -0.171 0.000 1.707 535 c CB -0.124 42.307 42.510 -0.131 0.000 2.272 535 c HN 0.539 nan 8.230 nan 0.000 0.506 536 F N 4.680 124.701 119.950 0.119 0.000 3.164 536 F HA 0.322 4.849 4.527 -0.001 0.000 0.375 536 F C 0.523 176.444 175.800 0.201 0.000 1.257 536 F CA -0.466 57.659 58.000 0.208 0.000 1.171 536 F CB 0.847 39.942 39.000 0.157 0.000 1.588 536 F HN 0.932 nan 8.300 nan 0.000 0.604 537 c N 2.953 121.737 118.600 0.308 0.000 4.209 537 c HA 0.049 4.618 4.570 -0.001 0.000 0.305 537 c C 1.510 175.670 174.090 0.116 0.000 1.339 537 c CA 1.386 57.809 56.329 0.158 0.000 2.062 537 c CB -1.746 40.876 42.510 0.187 0.000 1.307 537 c HN 1.883 nan 8.230 nan 0.000 0.706 538 G N 0.578 109.432 108.800 0.090 0.000 3.206 538 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 538 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 538 G C 0.198 175.148 174.900 0.083 0.000 1.350 538 G CA 0.553 45.694 45.100 0.068 0.000 0.836 538 G HN 0.872 nan 8.290 nan 0.000 0.548 539 K N 0.632 121.096 120.400 0.107 0.000 2.237 539 K HA 0.493 4.812 4.320 -0.001 0.000 0.270 539 K C -0.218 176.462 176.600 0.133 0.000 1.015 539 K CA -0.097 56.253 56.287 0.105 0.000 0.949 539 K CB 1.109 33.669 32.500 0.100 0.000 0.976 539 K HN 0.310 nan 8.250 nan 0.000 0.472 540 c N 2.560 121.221 118.600 0.102 0.000 2.285 540 c HA 0.274 4.843 4.570 -0.001 0.000 0.335 540 c C 0.472 174.618 174.090 0.094 0.000 1.267 540 c CA -0.780 55.610 56.329 0.102 0.000 1.762 540 c CB -0.398 42.148 42.510 0.059 0.000 2.365 540 c HN 0.702 nan 8.230 nan 0.000 0.527 541 R N 2.369 122.948 120.500 0.132 0.000 2.593 541 R HA 0.243 4.583 4.340 -0.001 0.000 0.282 541 R C -0.402 175.877 176.300 -0.035 0.000 1.300 541 R CA -0.274 55.851 56.100 0.042 0.000 1.221 541 R CB 0.068 30.365 30.300 -0.005 0.000 1.157 541 R HN 0.745 nan 8.270 nan 0.000 0.555 542 c N 2.248 120.837 118.600 -0.019 0.000 2.653 542 c HA 0.053 4.622 4.570 -0.001 0.000 0.421 542 c C 1.168 175.231 174.090 -0.044 0.000 1.334 542 c CA -0.484 55.826 56.329 -0.032 0.000 1.885 542 c CB -0.725 41.824 42.510 0.065 0.000 2.645 542 c HN 0.686 nan 8.230 nan 0.000 0.601 543 H N 2.369 121.401 119.070 -0.063 0.000 2.935 543 H HA 0.127 4.683 4.556 -0.001 0.000 0.376 543 H C -1.957 173.431 175.328 0.100 0.000 1.307 543 H CA 0.274 56.296 56.048 -0.043 0.000 1.442 543 H CB -0.158 29.500 29.762 -0.174 0.000 1.427 543 H HN 0.464 nan 8.280 nan 0.000 0.615 544 P HA 0.032 nan 4.420 nan 0.000 0.267 544 P C 0.548 178.049 177.300 0.335 0.000 1.205 544 P CA 1.258 64.487 63.100 0.215 0.000 0.765 544 P CB 0.616 32.399 31.700 0.138 0.000 0.828 545 G N 1.150 110.077 108.800 0.211 0.000 2.175 545 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.244 545 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.244 545 G C -0.340 174.442 174.900 -0.197 0.000 0.982 545 G CA -0.546 44.573 45.100 0.032 0.000 0.641 545 G HN 0.387 nan 8.290 nan 0.000 0.527 546 F N 1.186 121.141 119.950 0.008 0.000 2.561 546 F HA 0.637 5.164 4.527 -0.001 0.000 0.313 546 F C 0.162 175.955 175.800 -0.011 0.000 1.126 546 F CA -0.879 57.115 58.000 -0.010 0.000 0.918 546 F CB 1.797 40.789 39.000 -0.014 0.000 1.199 546 F HN 0.372 nan 8.300 nan 0.000 0.444 547 E N 1.159 121.427 120.200 0.114 0.000 2.431 547 E HA 0.916 5.266 4.350 -0.001 0.000 0.268 547 E C -0.346 176.290 176.600 0.060 0.000 0.953 547 E CA -1.436 55.007 56.400 0.073 0.000 0.810 547 E CB 2.613 32.335 29.700 0.038 0.000 1.369 547 E HN 0.916 nan 8.360 nan 0.000 0.440 548 G N -0.278 108.553 108.800 0.050 0.000 2.440 548 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.684 548 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.684 548 G C 0.244 175.177 174.900 0.054 0.000 1.309 548 G CA -0.190 44.941 45.100 0.052 0.000 0.931 548 G HN 0.402 nan 8.290 nan 0.000 0.612 549 S N -0.284 115.452 115.700 0.061 0.000 2.370 549 S HA 0.147 4.616 4.470 -0.001 0.000 0.226 549 S C 1.833 176.473 174.600 0.066 0.000 1.033 549 S CA 2.401 60.638 58.200 0.062 0.000 1.011 549 S CB -0.027 63.212 63.200 0.065 0.000 0.852 549 S HN 2.003 nan 8.310 nan 0.000 0.457 550 A N -0.775 122.090 122.820 0.075 0.000 2.663 550 A HA 0.520 4.840 4.320 -0.001 0.000 0.273 550 A C 0.588 178.172 177.584 0.000 0.000 0.932 550 A CA -0.370 51.707 52.037 0.067 0.000 1.055 550 A CB -0.768 18.304 19.000 0.120 0.000 1.206 550 A HN 0.519 nan 8.150 nan 0.000 0.485 551 c N -0.153 118.443 118.600 -0.008 0.000 4.356 551 c HA -0.275 4.295 4.570 -0.001 0.000 0.296 551 c C 2.186 176.168 174.090 -0.180 0.000 1.424 551 c CA 1.379 57.676 56.329 -0.053 0.000 2.000 551 c CB -3.152 39.296 42.510 -0.103 0.000 1.262 551 c HN 0.891 nan 8.230 nan 0.000 0.789 552 Q N -0.504 119.294 119.800 -0.003 0.000 1.994 552 Q HA -0.110 4.230 4.340 -0.001 0.000 0.198 552 Q C 1.566 177.673 176.000 0.178 0.000 0.976 552 Q CA 1.625 57.544 55.803 0.194 0.000 0.828 552 Q CB -0.326 28.571 28.738 0.264 0.000 0.894 552 Q HN 0.713 nan 8.270 nan 0.000 0.432 553 c N 2.938 121.599 118.600 0.102 0.000 3.031 553 c HA 0.080 4.650 4.570 -0.001 0.000 0.489 553 c C 1.629 175.733 174.090 0.023 0.000 1.020 553 c CA -0.263 56.106 56.329 0.067 0.000 1.104 553 c CB -1.911 40.625 42.510 0.043 0.000 1.470 553 c HN 0.624 nan 8.230 nan 0.000 0.583 554 E N 1.916 122.131 120.200 0.024 0.000 2.097 554 E HA -0.138 4.212 4.350 -0.001 0.000 0.196 554 E C 0.690 177.177 176.600 -0.189 0.000 1.000 554 E CA 1.140 57.545 56.400 0.008 0.000 0.804 554 E CB 0.230 29.957 29.700 0.047 0.000 0.740 554 E HN 0.699 nan 8.360 nan 0.000 0.454 555 R N -0.430 119.938 120.500 -0.220 0.000 2.514 555 R HA 0.160 4.500 4.340 -0.001 0.000 0.301 555 R C 0.337 176.514 176.300 -0.205 0.000 0.962 555 R CA -0.139 55.746 56.100 -0.358 0.000 0.882 555 R CB 1.586 31.713 30.300 -0.288 0.000 1.143 555 R HN -0.097 nan 8.270 nan 0.000 0.452 556 T N 1.056 115.483 114.554 -0.212 0.000 3.148 556 T HA -0.031 4.319 4.350 -0.001 0.000 0.253 556 T C 0.983 175.625 174.700 -0.097 0.000 1.134 556 T CA 0.602 62.633 62.100 -0.115 0.000 1.051 556 T CB -0.081 68.734 68.868 -0.088 0.000 0.959 556 T HN 0.783 nan 8.240 nan 0.000 0.525 557 T N -0.325 114.156 114.554 -0.122 0.000 2.715 557 T HA 0.311 4.661 4.350 -0.001 0.000 0.320 557 T C -0.014 174.649 174.700 -0.062 0.000 1.046 557 T CA -0.462 61.585 62.100 -0.089 0.000 0.983 557 T CB 0.539 69.347 68.868 -0.100 0.000 1.183 557 T HN 0.264 nan 8.240 nan 0.000 0.522 558 E N -0.585 119.586 120.200 -0.048 0.000 3.117 558 E HA 0.325 4.675 4.350 -0.001 0.000 0.262 558 E C 0.690 177.273 176.600 -0.029 0.000 1.202 558 E CA -0.551 55.829 56.400 -0.034 0.000 0.853 558 E CB 0.522 30.206 29.700 -0.028 0.000 1.426 558 E HN 0.887 nan 8.360 nan 0.000 0.387 559 G N 0.103 108.885 108.800 -0.028 0.000 2.776 559 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.209 559 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.209 559 G C 1.166 176.057 174.900 -0.015 0.000 1.145 559 G CA 0.187 45.274 45.100 -0.022 0.000 0.791 559 G HN 0.493 nan 8.290 nan 0.000 0.530 560 c N 0.373 118.964 118.600 -0.015 0.000 2.466 560 c HA 0.263 4.833 4.570 -0.001 0.000 0.283 560 c C 1.294 175.377 174.090 -0.013 0.000 1.472 560 c CA -0.736 55.587 56.329 -0.011 0.000 1.765 560 c CB -1.448 41.055 42.510 -0.010 0.000 1.724 560 c HN 0.281 nan 8.230 nan 0.000 0.560 561 L N 2.766 123.980 121.223 -0.016 0.000 2.371 561 L HA 0.260 4.600 4.340 -0.001 0.000 0.272 561 L C 0.310 177.171 176.870 -0.014 0.000 1.124 561 L CA -0.119 54.712 54.840 -0.016 0.000 0.816 561 L CB 0.559 42.607 42.059 -0.017 0.000 1.129 561 L HN 0.386 nan 8.230 nan 0.000 0.448 562 N N 2.899 121.590 118.700 -0.014 0.000 2.566 562 N HA 0.423 5.163 4.740 -0.001 0.000 0.299 562 N C -2.279 173.223 175.510 -0.013 0.000 1.277 562 N CA -1.991 51.052 53.050 -0.012 0.000 0.965 562 N CB -0.542 37.939 38.487 -0.011 0.000 1.142 562 N HN 0.105 nan 8.380 nan 0.000 0.596 563 P HA -0.022 nan 4.420 nan 0.000 0.220 563 P C 0.964 178.258 177.300 -0.010 0.000 1.148 563 P CA 1.142 64.236 63.100 -0.011 0.000 0.803 563 P CB 0.181 31.875 31.700 -0.011 0.000 0.782 564 R N -0.669 119.824 120.500 -0.011 0.000 2.193 564 R HA 0.007 4.346 4.340 -0.001 0.000 0.229 564 R C 0.535 176.828 176.300 -0.012 0.000 1.110 564 R CA 0.543 56.636 56.100 -0.011 0.000 0.988 564 R CB -0.721 29.570 30.300 -0.015 0.000 0.871 564 R HN 0.106 nan 8.270 nan 0.000 0.458 565 R N -0.599 119.893 120.500 -0.013 0.000 3.651 565 R HA -0.122 4.218 4.340 -0.001 0.000 0.292 565 R C -0.539 175.753 176.300 -0.014 0.000 1.161 565 R CA 0.593 56.686 56.100 -0.012 0.000 0.787 565 R CB -2.715 27.580 30.300 -0.009 0.000 1.249 565 R HN 0.214 nan 8.270 nan 0.000 0.476 566 V N 0.433 120.336 119.914 -0.018 0.000 2.487 566 V HA 0.289 4.409 4.120 -0.001 0.000 0.298 566 V C 0.337 176.415 176.094 -0.025 0.000 1.028 566 V CA -0.802 61.484 62.300 -0.022 0.000 0.860 566 V CB 1.746 33.552 31.823 -0.027 0.000 0.991 566 V HN 0.277 nan 8.190 nan 0.000 0.427 567 E N 4.295 124.480 120.200 -0.025 0.000 2.465 567 E HA 0.105 4.454 4.350 -0.001 0.000 0.260 567 E C 0.699 177.281 176.600 -0.031 0.000 0.980 567 E CA 0.459 56.844 56.400 -0.024 0.000 0.927 567 E CB 0.194 29.881 29.700 -0.021 0.000 0.934 567 E HN 0.976 nan 8.360 nan 0.000 0.459 568 c N 3.419 122.004 118.600 -0.026 0.000 4.185 568 c HA -0.279 4.290 4.570 -0.001 0.000 0.297 568 c C 1.505 175.563 174.090 -0.054 0.000 1.463 568 c CA 0.582 56.893 56.329 -0.030 0.000 2.032 568 c CB -3.273 39.222 42.510 -0.025 0.000 1.282 568 c HN 1.046 nan 8.230 nan 0.000 0.770 569 S N -1.001 114.668 115.700 -0.052 0.000 4.150 569 S HA -0.365 4.105 4.470 -0.001 0.000 0.551 569 S C 1.663 176.194 174.600 -0.114 0.000 1.874 569 S CA 2.103 60.260 58.200 -0.073 0.000 4.241 569 S CB -1.550 61.611 63.200 -0.065 0.000 0.292 569 S HN 1.546 nan 8.310 nan 0.000 0.469 570 G N 2.094 110.780 108.800 -0.190 0.000 2.616 570 G HA2 0.149 4.109 3.960 -0.001 0.000 0.215 570 G HA3 0.149 4.109 3.960 -0.001 0.000 0.215 570 G C 0.373 175.145 174.900 -0.213 0.000 1.284 570 G CA 0.959 45.907 45.100 -0.254 0.000 0.823 570 G HN 0.522 nan 8.290 nan 0.000 0.569 571 R N -0.648 119.703 120.500 -0.248 0.000 2.807 571 R HA 0.610 4.950 4.340 -0.001 0.000 0.276 571 R C -0.596 175.664 176.300 -0.067 0.000 0.979 571 R CA 0.063 56.084 56.100 -0.132 0.000 0.928 571 R CB 1.464 31.704 30.300 -0.100 0.000 1.191 571 R HN 0.858 nan 8.270 nan 0.000 0.471 572 G N 2.028 110.815 108.800 -0.021 0.000 2.897 572 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.392 572 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.392 572 G C -0.676 174.222 174.900 -0.003 0.000 1.263 572 G CA -0.904 44.198 45.100 0.003 0.000 1.185 572 G HN 0.558 nan 8.290 nan 0.000 0.573 573 R N 0.857 121.361 120.500 0.007 0.000 2.756 573 R HA 0.353 4.693 4.340 -0.001 0.000 0.264 573 R C 0.422 176.724 176.300 0.003 0.000 1.026 573 R CA 0.268 56.370 56.100 0.003 0.000 1.121 573 R CB 0.519 30.825 30.300 0.010 0.000 0.999 573 R HN 0.747 nan 8.270 nan 0.000 0.449 574 c N 5.924 124.523 118.600 -0.001 0.000 2.116 574 c HA 0.392 4.961 4.570 -0.001 0.000 0.367 574 c C -0.244 173.846 174.090 0.000 0.000 1.039 574 c CA -0.581 55.746 56.329 -0.002 0.000 1.465 574 c CB -1.258 41.247 42.510 -0.009 0.000 1.783 574 c HN 0.716 nan 8.230 nan 0.000 0.470 575 R N 3.639 124.143 120.500 0.007 0.000 2.229 575 R HA 0.392 4.732 4.340 -0.001 0.000 0.332 575 R C 0.464 176.773 176.300 0.015 0.000 0.989 575 R CA -0.271 55.836 56.100 0.012 0.000 0.842 575 R CB 0.564 30.875 30.300 0.018 0.000 1.119 575 R HN 0.835 nan 8.270 nan 0.000 0.456 576 c N 3.188 121.794 118.600 0.010 0.000 4.424 576 c HA -0.132 4.438 4.570 -0.001 0.000 0.304 576 c C 0.170 174.268 174.090 0.012 0.000 1.344 576 c CA 0.120 56.458 56.329 0.016 0.000 2.033 576 c CB -2.450 40.087 42.510 0.045 0.000 1.264 576 c HN 1.097 nan 8.230 nan 0.000 0.750 577 N N -2.259 116.439 118.700 -0.003 0.000 2.735 577 N HA -0.173 4.567 4.740 -0.001 0.000 0.248 577 N C -0.577 174.937 175.510 0.006 0.000 1.083 577 N CA 1.401 54.448 53.050 -0.004 0.000 0.703 577 N CB -0.720 37.762 38.487 -0.007 0.000 1.005 577 N HN 0.841 nan 8.380 nan 0.000 0.550 578 V N -0.618 119.302 119.914 0.009 0.000 2.888 578 V HA 0.469 4.588 4.120 -0.001 0.000 0.309 578 V C 0.271 176.372 176.094 0.012 0.000 1.114 578 V CA -0.901 61.407 62.300 0.014 0.000 0.940 578 V CB 2.505 34.340 31.823 0.020 0.000 1.021 578 V HN 0.218 nan 8.190 nan 0.000 0.426 579 c N 2.201 120.809 118.600 0.013 0.000 2.366 579 c HA 0.526 5.095 4.570 -0.001 0.000 0.345 579 c C 0.664 174.767 174.090 0.021 0.000 1.209 579 c CA -0.544 55.792 56.329 0.013 0.000 2.050 579 c CB 0.875 43.391 42.510 0.010 0.000 2.359 579 c HN 0.989 nan 8.230 nan 0.000 0.527 580 E N 1.050 121.264 120.200 0.023 0.000 2.490 580 E HA 0.245 4.595 4.350 -0.001 0.000 0.232 580 E C -0.608 176.019 176.600 0.046 0.000 1.091 580 E CA -0.356 56.063 56.400 0.032 0.000 1.050 580 E CB 0.098 29.817 29.700 0.032 0.000 1.342 580 E HN 0.809 nan 8.360 nan 0.000 0.454 581 c N 3.303 121.936 118.600 0.054 0.000 2.590 581 c HA -0.001 4.569 4.570 -0.001 0.000 0.411 581 c C 1.005 175.166 174.090 0.118 0.000 1.420 581 c CA -0.537 55.841 56.329 0.081 0.000 1.643 581 c CB -1.001 41.586 42.510 0.129 0.000 2.528 581 c HN 0.612 nan 8.230 nan 0.000 0.606 582 H N 2.343 121.436 119.070 0.039 0.000 2.745 582 H HA 0.163 4.718 4.556 -0.001 0.000 0.373 582 H C 1.093 176.534 175.328 0.188 0.000 1.226 582 H CA 1.872 57.965 56.048 0.074 0.000 1.435 582 H CB 0.816 30.597 29.762 0.031 0.000 1.461 582 H HN 0.968 nan 8.280 nan 0.000 0.616 583 S N 1.094 116.558 115.700 -0.394 0.000 3.469 583 S HA -0.275 4.194 4.470 -0.001 0.000 0.628 583 S C 1.303 175.913 174.600 0.016 0.000 2.687 583 S CA 1.295 59.446 58.200 -0.081 0.000 3.829 583 S CB -1.525 61.825 63.200 0.250 0.000 0.258 583 S HN 1.035 nan 8.310 nan 0.000 1.222 584 G N -0.313 108.498 108.800 0.019 0.000 3.284 584 G HA2 0.373 4.332 3.960 -0.001 0.000 0.236 584 G HA3 0.373 4.332 3.960 -0.001 0.000 0.236 584 G C -0.086 174.790 174.900 -0.039 0.000 1.158 584 G CA -0.021 45.060 45.100 -0.032 0.000 0.774 584 G HN 0.552 nan 8.290 nan 0.000 0.545 585 Y N 1.509 121.818 120.300 0.015 0.000 2.717 585 Y HA 0.103 4.653 4.550 -0.000 0.000 0.330 585 Y C 1.139 177.045 175.900 0.010 0.000 1.217 585 Y CA 0.273 58.385 58.100 0.020 0.000 1.506 585 Y CB 0.593 39.073 38.460 0.034 0.000 1.268 585 Y HN 0.097 nan 8.280 nan 0.000 0.561 586 Q N 1.924 121.802 119.800 0.129 0.000 2.252 586 Q HA 0.431 4.770 4.340 -0.001 0.000 0.256 586 Q C -0.706 175.338 176.000 0.075 0.000 1.020 586 Q CA -1.080 54.766 55.803 0.073 0.000 0.913 586 Q CB 1.723 30.480 28.738 0.031 0.000 1.286 586 Q HN 0.486 nan 8.270 nan 0.000 0.480 587 L N 1.418 122.669 121.223 0.046 0.000 2.468 587 L HA 0.208 4.548 4.340 -0.001 0.000 0.254 587 L C -1.222 175.667 176.870 0.031 0.000 1.171 587 L CA -0.790 54.072 54.840 0.037 0.000 0.809 587 L CB -0.522 41.553 42.059 0.026 0.000 1.155 587 L HN 0.550 nan 8.230 nan 0.000 0.473 588 P HA 0.126 nan 4.420 nan 0.000 0.224 588 P C 0.981 178.294 177.300 0.021 0.000 1.159 588 P CA 0.782 63.895 63.100 0.020 0.000 0.824 588 P CB 0.431 32.138 31.700 0.012 0.000 0.833 589 L N -0.999 120.237 121.223 0.022 0.000 2.728 589 L HA 0.240 4.580 4.340 -0.001 0.000 0.238 589 L C -0.301 176.581 176.870 0.020 0.000 1.143 589 L CA -0.288 54.560 54.840 0.014 0.000 0.937 589 L CB -0.475 41.588 42.059 0.006 0.000 1.225 589 L HN -0.102 nan 8.230 nan 0.000 0.507 590 c N 1.675 120.306 118.600 0.052 0.000 3.547 590 c HA -0.118 4.452 4.570 -0.001 0.000 0.299 590 c C 1.540 175.697 174.090 0.112 0.000 1.148 590 c CA 0.685 57.068 56.329 0.090 0.000 2.364 590 c CB -1.954 40.565 42.510 0.014 0.000 1.453 590 c HN 0.788 nan 8.230 nan 0.000 0.549 591 Q N -0.196 119.719 119.800 0.191 0.000 2.577 591 Q HA 0.187 4.527 4.340 -0.001 0.000 0.242 591 Q C 0.201 176.370 176.000 0.282 0.000 0.818 591 Q CA 0.575 56.503 55.803 0.208 0.000 0.962 591 Q CB 0.353 29.146 28.738 0.091 0.000 1.272 591 Q HN 0.837 nan 8.270 nan 0.000 0.593 592 E N 1.037 121.330 120.200 0.154 0.000 2.115 592 E HA 0.309 4.659 4.350 -0.001 0.000 0.282 592 E C -1.146 175.408 176.600 -0.077 0.000 0.987 592 E CA -0.392 56.029 56.400 0.036 0.000 0.797 592 E CB 1.588 31.300 29.700 0.019 0.000 1.086 592 E HN 0.258 nan 8.360 nan 0.000 0.397 593 C N 7.142 126.269 119.300 -0.289 0.000 2.125 593 C HA 0.311 4.770 4.460 -0.001 0.000 0.355 593 C C -1.365 173.512 174.990 -0.188 0.000 1.047 593 C CA -2.213 56.579 59.018 -0.378 0.000 1.501 593 C CB -0.807 26.472 27.740 -0.769 0.000 1.783 593 C HN 0.661 nan 8.230 nan 0.000 0.455 594 P HA -0.045 nan 4.420 nan 0.000 0.216 594 P C 1.526 178.791 177.300 -0.060 0.000 1.150 594 P CA 1.765 64.828 63.100 -0.063 0.000 0.843 594 P CB 0.064 31.739 31.700 -0.041 0.000 0.787 595 G N -1.954 106.805 108.800 -0.068 0.000 2.813 595 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.209 595 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.209 595 G C 0.365 175.235 174.900 -0.050 0.000 1.150 595 G CA -0.126 44.945 45.100 -0.050 0.000 0.785 595 G HN 0.275 nan 8.290 nan 0.000 0.535 596 C N 0.835 120.089 119.300 -0.076 0.000 2.689 596 C HA 0.209 4.668 4.460 -0.001 0.000 0.409 596 C C -0.039 174.937 174.990 -0.023 0.000 1.293 596 C CA -0.709 58.274 59.018 -0.059 0.000 2.136 596 C CB 1.484 29.162 27.740 -0.103 0.000 2.719 596 C HN 0.309 nan 8.230 nan 0.000 0.644 597 P HA -0.026 nan 4.420 nan 0.000 0.221 597 P C 0.443 177.753 177.300 0.017 0.000 1.150 597 P CA 0.969 64.078 63.100 0.015 0.000 0.800 597 P CB 0.045 31.766 31.700 0.034 0.000 0.787 598 S N -0.670 115.041 115.700 0.019 0.000 3.829 598 S HA -0.039 4.431 4.470 -0.001 0.000 0.461 598 S C -2.224 172.386 174.600 0.016 0.000 0.849 598 S CA -0.373 57.834 58.200 0.012 0.000 1.323 598 S CB -1.263 61.937 63.200 0.001 0.000 0.872 598 S HN 0.127 nan 8.310 nan 0.000 0.613 599 P HA 0.343 nan 4.420 nan 0.000 0.271 599 P C 0.404 177.751 177.300 0.078 0.000 1.233 599 P CA -0.373 62.799 63.100 0.121 0.000 0.764 599 P CB 1.006 32.861 31.700 0.258 0.000 0.825 600 c N 2.439 121.133 118.600 0.157 0.000 2.964 600 c HA 0.259 4.829 4.570 -0.001 0.000 0.358 600 c C 1.610 175.912 174.090 0.353 0.000 1.289 600 c CA 0.498 56.958 56.329 0.219 0.000 1.856 600 c CB -0.208 42.391 42.510 0.148 0.000 2.488 600 c HN 0.695 nan 8.230 nan 0.000 0.604 601 G N 0.292 109.237 108.800 0.242 0.000 2.559 601 G HA2 0.321 4.281 3.960 -0.001 0.000 0.235 601 G HA3 0.321 4.281 3.960 -0.001 0.000 0.235 601 G C 0.447 175.406 174.900 0.099 0.000 1.266 601 G CA 0.376 45.567 45.100 0.151 0.000 0.847 601 G HN 0.628 nan 8.290 nan 0.000 0.583 602 K N -0.196 120.194 120.400 -0.017 0.000 3.529 602 K HA -0.264 4.056 4.320 -0.001 0.000 0.313 602 K C 0.840 177.249 176.600 -0.319 0.000 1.316 602 K CA 1.938 58.116 56.287 -0.182 0.000 0.988 602 K CB -1.151 31.174 32.500 -0.292 0.000 1.252 602 K HN 0.604 nan 8.250 nan 0.000 0.438 603 Y N -0.584 119.705 120.300 -0.019 0.000 2.498 603 Y HA 0.191 4.740 4.550 -0.001 0.000 0.259 603 Y C 2.111 177.954 175.900 -0.095 0.000 1.086 603 Y CA -0.182 57.873 58.100 -0.075 0.000 1.287 603 Y CB 0.356 38.752 38.460 -0.107 0.000 1.146 603 Y HN -0.030 nan 8.280 nan 0.000 0.523 604 I N -0.448 120.190 120.570 0.114 0.000 2.208 604 I HA -0.319 3.850 4.170 -0.001 0.000 0.245 604 I C 2.539 178.673 176.117 0.028 0.000 1.097 604 I CA 1.596 62.937 61.300 0.068 0.000 1.363 604 I CB -1.266 36.801 38.000 0.112 0.000 1.051 604 I HN 0.187 nan 8.210 nan 0.000 0.413 605 S N -0.092 115.649 115.700 0.068 0.000 2.383 605 S HA -0.195 4.275 4.470 -0.001 0.000 0.229 605 S C 2.123 176.673 174.600 -0.083 0.000 1.030 605 S CA 1.795 60.056 58.200 0.102 0.000 1.002 605 S CB -0.184 63.134 63.200 0.196 0.000 0.829 605 S HN 0.542 nan 8.310 nan 0.000 0.467 606 c N 0.921 119.478 118.600 -0.072 0.000 2.634 606 c HA 0.534 5.104 4.570 -0.001 0.000 0.268 606 c C 2.883 176.906 174.090 -0.112 0.000 1.322 606 c CA -0.166 56.106 56.329 -0.094 0.000 1.737 606 c CB -1.181 41.295 42.510 -0.056 0.000 1.976 606 c HN 0.717 nan 8.230 nan 0.000 0.547 607 A N 1.846 124.578 122.820 -0.147 0.000 1.929 607 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 607 A C 2.053 179.569 177.584 -0.113 0.000 1.176 607 A CA 1.547 53.452 52.037 -0.219 0.000 0.628 607 A CB -0.492 18.234 19.000 -0.458 0.000 0.816 607 A HN 0.795 nan 8.150 nan 0.000 0.444 608 E N -1.461 118.672 120.200 -0.112 0.000 2.489 608 E HA -0.000 4.349 4.350 -0.001 0.000 0.193 608 E C 1.309 177.853 176.600 -0.094 0.000 1.057 608 E CA 0.656 57.012 56.400 -0.073 0.000 0.866 608 E CB -0.417 29.206 29.700 -0.128 0.000 0.916 608 E HN 0.443 nan 8.360 nan 0.000 0.500 609 c N 0.141 118.660 118.600 -0.135 0.000 2.799 609 c HA 0.367 4.937 4.570 -0.001 0.000 0.267 609 c C 1.607 175.650 174.090 -0.077 0.000 1.257 609 c CA -0.177 56.063 56.329 -0.147 0.000 1.702 609 c CB -0.835 41.563 42.510 -0.188 0.000 1.934 609 c HN 0.548 nan 8.230 nan 0.000 0.594 610 L N -0.155 121.040 121.223 -0.047 0.000 2.675 610 L HA 0.271 4.611 4.340 -0.001 0.000 0.178 610 L C 2.316 179.172 176.870 -0.023 0.000 1.135 610 L CA 0.288 55.107 54.840 -0.034 0.000 0.855 610 L CB -0.883 41.155 42.059 -0.035 0.000 1.235 610 L HN -0.042 nan 8.230 nan 0.000 0.499 611 K N 1.061 121.462 120.400 0.001 0.000 1.974 611 K HA 0.002 4.322 4.320 -0.001 0.000 0.211 611 K C 0.446 177.005 176.600 -0.068 0.000 1.039 611 K CA 1.311 57.578 56.287 -0.034 0.000 0.947 611 K CB -0.561 31.948 32.500 0.014 0.000 0.735 611 K HN -0.150 nan 8.250 nan 0.000 0.441 612 F N 1.719 121.621 119.950 -0.080 0.000 2.403 612 F HA 0.224 4.751 4.527 -0.001 0.000 0.320 612 F C 0.776 176.529 175.800 -0.078 0.000 1.176 612 F CA -0.164 57.797 58.000 -0.064 0.000 1.206 612 F CB 0.481 39.451 39.000 -0.050 0.000 1.235 612 F HN 0.054 nan 8.300 nan 0.000 0.565 613 E N 1.474 121.739 120.200 0.107 0.000 2.969 613 E HA 0.084 4.433 4.350 -0.001 0.000 0.213 613 E C -0.337 176.270 176.600 0.012 0.000 1.107 613 E CA -0.097 56.315 56.400 0.020 0.000 1.007 613 E CB 0.731 30.428 29.700 -0.005 0.000 1.326 613 E HN 0.493 nan 8.360 nan 0.000 0.432 614 K N 0.560 120.946 120.400 -0.023 0.000 2.965 614 K HA 0.265 4.585 4.320 -0.001 0.000 0.216 614 K C -0.000 176.487 176.600 -0.188 0.000 1.164 614 K CA -0.018 56.247 56.287 -0.038 0.000 1.153 614 K CB 0.116 32.619 32.500 0.005 0.000 1.045 614 K HN 0.488 nan 8.250 nan 0.000 0.460 615 G N 3.155 111.832 108.800 -0.204 0.000 3.129 615 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.385 615 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.385 615 G C -2.701 171.845 174.900 -0.591 0.000 1.046 615 G CA -0.965 43.981 45.100 -0.256 0.000 0.933 615 G HN 0.212 nan 8.290 nan 0.000 0.424 616 P HA 0.075 nan 4.420 nan 0.000 0.256 616 P C 0.870 178.073 177.300 -0.163 0.000 1.189 616 P CA 0.332 63.261 63.100 -0.286 0.000 0.808 616 P CB 0.034 31.656 31.700 -0.130 0.000 0.793 617 F N 2.399 122.336 119.950 -0.022 0.000 2.025 617 F HA -0.056 4.471 4.527 -0.001 0.000 0.291 617 F C 2.810 178.596 175.800 -0.023 0.000 1.150 617 F CA 1.113 59.098 58.000 -0.024 0.000 1.166 617 F CB -1.125 37.856 39.000 -0.031 0.000 0.995 617 F HN 0.277 nan 8.300 nan 0.000 0.474 618 G N -0.262 108.652 108.800 0.189 0.000 2.469 618 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.219 618 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.219 618 G C 1.067 176.001 174.900 0.055 0.000 1.150 618 G CA 1.436 46.590 45.100 0.089 0.000 0.763 618 G HN 0.303 nan 8.290 nan 0.000 0.561 619 K N -2.024 118.400 120.400 0.041 0.000 3.157 619 K HA 0.264 4.584 4.320 -0.001 0.000 0.309 619 K C 0.141 176.746 176.600 0.008 0.000 1.183 619 K CA -0.575 55.725 56.287 0.021 0.000 1.198 619 K CB 0.116 32.622 32.500 0.010 0.000 3.317 619 K HN 0.093 nan 8.250 nan 0.000 1.071 620 N N -0.629 118.067 118.700 -0.006 0.000 3.040 620 N HA 0.482 5.221 4.740 -0.001 0.000 0.339 620 N C -1.073 174.415 175.510 -0.036 0.000 1.387 620 N CA -0.515 52.521 53.050 -0.023 0.000 0.745 620 N CB 1.171 39.647 38.487 -0.018 0.000 1.237 620 N HN 0.404 nan 8.380 nan 0.000 0.565 621 c N -1.891 116.685 118.600 -0.041 0.000 3.235 621 c HA 0.565 5.135 4.570 -0.001 0.000 0.351 621 c C 0.214 174.290 174.090 -0.024 0.000 1.520 621 c CA -0.141 56.164 56.329 -0.041 0.000 1.474 621 c CB 0.946 43.418 42.510 -0.063 0.000 2.019 621 c HN 0.827 nan 8.230 nan 0.000 0.446 622 S N -0.995 114.695 115.700 -0.017 0.000 3.261 622 S HA -0.223 4.247 4.470 -0.001 0.000 0.287 622 S C 0.312 174.912 174.600 -0.000 0.000 1.281 622 S CA 1.354 59.551 58.200 -0.004 0.000 1.053 622 S CB -1.647 61.550 63.200 -0.005 0.000 1.251 622 S HN 1.319 nan 8.310 nan 0.000 0.659 623 A N -0.413 122.404 122.820 -0.004 0.000 1.780 623 A HA 0.787 5.107 4.320 -0.001 0.000 0.208 623 A C 1.421 179.004 177.584 -0.001 0.000 1.761 623 A CA 0.800 52.837 52.037 -0.001 0.000 1.183 623 A CB -0.414 18.584 19.000 -0.003 0.000 1.162 623 A HN 1.226 nan 8.150 nan 0.000 0.472 624 A N -1.127 121.688 122.820 -0.009 0.000 2.379 624 A HA 0.440 4.760 4.320 -0.001 0.000 0.236 624 A C 0.357 177.929 177.584 -0.019 0.000 1.272 624 A CA 0.622 52.650 52.037 -0.014 0.000 0.886 624 A CB -0.845 18.145 19.000 -0.017 0.000 0.962 624 A HN 0.652 nan 8.150 nan 0.000 0.504 625 c N 0.275 118.872 118.600 -0.004 0.000 3.421 625 c HA 0.277 4.847 4.570 -0.001 0.000 0.194 625 c C -1.931 172.182 174.090 0.039 0.000 1.418 625 c CA -0.790 55.544 56.329 0.009 0.000 1.226 625 c CB 0.373 42.877 42.510 -0.011 0.000 1.875 625 c HN 0.445 nan 8.230 nan 0.000 0.561 626 P HA 0.027 nan 4.420 nan 0.000 0.259 626 P C 1.004 178.372 177.300 0.114 0.000 1.307 626 P CA 0.863 64.005 63.100 0.070 0.000 0.768 626 P CB -0.140 31.599 31.700 0.065 0.000 1.199 627 G N 0.880 109.766 108.800 0.144 0.000 3.197 627 G HA2 0.042 4.001 3.960 -0.001 0.000 0.257 627 G HA3 0.042 4.001 3.960 -0.001 0.000 0.257 627 G C 0.925 175.892 174.900 0.112 0.000 0.835 627 G CA -0.322 44.890 45.100 0.187 0.000 2.001 627 G HN 0.133 nan 8.290 nan 0.000 0.625 628 L N 0.122 121.398 121.223 0.087 0.000 2.127 628 L HA 0.001 4.341 4.340 -0.001 0.000 0.211 628 L C 1.608 178.508 176.870 0.050 0.000 1.089 628 L CA 1.461 56.334 54.840 0.054 0.000 0.757 628 L CB -0.276 41.809 42.059 0.043 0.000 0.899 628 L HN 0.429 nan 8.230 nan 0.000 0.434 629 Q N -0.628 119.210 119.800 0.063 0.000 2.235 629 Q HA 0.401 4.741 4.340 -0.001 0.000 0.250 629 Q C -0.904 175.134 176.000 0.065 0.000 0.909 629 Q CA -0.324 55.514 55.803 0.058 0.000 0.910 629 Q CB 1.893 30.667 28.738 0.060 0.000 1.223 629 Q HN 0.113 nan 8.270 nan 0.000 0.432 630 L N 2.138 123.396 121.223 0.059 0.000 2.574 630 L HA 0.168 4.508 4.340 -0.001 0.000 0.258 630 L C -0.580 176.346 176.870 0.093 0.000 1.520 630 L CA -0.076 54.804 54.840 0.066 0.000 0.775 630 L CB 0.979 43.057 42.059 0.031 0.000 1.028 630 L HN 0.659 nan 8.230 nan 0.000 0.516 631 S N -0.208 115.557 115.700 0.109 0.000 2.573 631 S HA 0.040 4.510 4.470 -0.001 0.000 0.297 631 S C 0.522 175.227 174.600 0.176 0.000 1.280 631 S CA -0.083 58.183 58.200 0.111 0.000 1.061 631 S CB 0.192 63.444 63.200 0.087 0.000 0.812 631 S HN 0.526 nan 8.310 nan 0.000 0.500 632 N N 3.904 122.687 118.700 0.138 0.000 3.243 632 N HA 0.262 5.002 4.740 -0.001 0.000 0.310 632 N C -0.760 174.803 175.510 0.088 0.000 1.313 632 N CA -0.000 53.156 53.050 0.177 0.000 1.204 632 N CB -0.753 37.800 38.487 0.110 0.000 1.483 632 N HN 0.529 nan 8.380 nan 0.000 0.553 633 N N -0.260 118.454 118.700 0.023 0.000 2.591 633 N HA 0.306 5.046 4.740 -0.001 0.000 0.263 633 N C -2.852 172.460 175.510 -0.330 0.000 1.308 633 N CA -1.150 51.818 53.050 -0.137 0.000 0.837 633 N CB 1.964 40.422 38.487 -0.048 0.000 1.548 633 N HN -0.120 nan 8.380 nan 0.000 0.493 634 P HA 0.066 nan 4.420 nan 0.000 0.235 634 P C 0.162 177.387 177.300 -0.125 0.000 1.765 634 P CA -0.195 62.725 63.100 -0.300 0.000 1.034 634 P CB -0.224 31.351 31.700 -0.208 0.000 1.984 635 V N -0.713 119.164 119.914 -0.063 0.000 3.133 635 V HA 0.455 4.574 4.120 -0.001 0.000 0.305 635 V C 0.383 176.497 176.094 0.033 0.000 1.084 635 V CA -0.150 62.157 62.300 0.012 0.000 1.089 635 V CB 0.953 32.812 31.823 0.060 0.000 1.073 635 V HN 0.191 nan 8.190 nan 0.000 0.477 636 K N 0.061 120.486 120.400 0.041 0.000 2.454 636 K HA 0.703 5.023 4.320 -0.001 0.000 0.279 636 K C 0.368 176.995 176.600 0.045 0.000 1.020 636 K CA -0.399 55.913 56.287 0.043 0.000 0.850 636 K CB 1.558 34.069 32.500 0.018 0.000 1.529 636 K HN 1.164 nan 8.250 nan 0.000 0.390 637 G N 0.451 109.272 108.800 0.036 0.000 2.882 637 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.198 637 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.198 637 G C -0.603 174.315 174.900 0.031 0.000 1.977 637 G CA -0.600 44.519 45.100 0.032 0.000 1.541 637 G HN 0.285 nan 8.290 nan 0.000 0.567 638 R N 2.455 122.983 120.500 0.046 0.000 4.138 638 R HA 0.319 4.658 4.340 -0.001 0.000 0.206 638 R C 0.331 176.643 176.300 0.020 0.000 1.667 638 R CA 0.435 56.555 56.100 0.034 0.000 1.481 638 R CB -0.294 30.038 30.300 0.053 0.000 1.388 638 R HN 0.406 nan 8.270 nan 0.000 0.776 639 T N 1.090 115.647 114.554 0.005 0.000 2.761 639 T HA -0.030 4.319 4.350 -0.001 0.000 0.262 639 T C 0.325 174.985 174.700 -0.066 0.000 0.968 639 T CA 0.099 62.189 62.100 -0.017 0.000 1.235 639 T CB -0.611 68.247 68.868 -0.016 0.000 0.925 639 T HN 0.440 nan 8.240 nan 0.000 0.545 640 c N 5.445 123.967 118.600 -0.129 0.000 2.358 640 c HA 0.810 5.380 4.570 -0.001 0.000 0.354 640 c C -0.153 173.666 174.090 -0.452 0.000 1.183 640 c CA -0.743 55.428 56.329 -0.264 0.000 2.150 640 c CB 0.710 43.056 42.510 -0.273 0.000 2.361 640 c HN 1.040 nan 8.230 nan 0.000 0.535 641 K N 3.647 123.820 120.400 -0.378 0.000 2.805 641 K HA 0.276 4.596 4.320 -0.001 0.000 0.276 641 K C -0.840 175.708 176.600 -0.086 0.000 1.209 641 K CA -0.119 55.996 56.287 -0.288 0.000 1.065 641 K CB 0.277 32.693 32.500 -0.140 0.000 1.363 641 K HN 0.806 nan 8.250 nan 0.000 0.546 642 E N 1.515 121.670 120.200 -0.074 0.000 2.518 642 E HA 0.493 4.843 4.350 -0.001 0.000 0.241 642 E C -0.123 176.552 176.600 0.125 0.000 0.899 642 E CA -0.782 55.678 56.400 0.100 0.000 0.888 642 E CB 1.062 30.819 29.700 0.096 0.000 1.426 642 E HN 0.442 nan 8.360 nan 0.000 0.401 643 R N 0.475 120.978 120.500 0.004 0.000 2.606 643 R HA 0.256 4.595 4.340 -0.001 0.000 0.249 643 R C 0.199 176.453 176.300 -0.077 0.000 1.127 643 R CA -0.588 55.410 56.100 -0.169 0.000 1.133 643 R CB 0.317 30.361 30.300 -0.426 0.000 1.243 643 R HN 0.563 nan 8.270 nan 0.000 0.558 644 D N -1.076 119.242 120.400 -0.136 0.000 2.560 644 D HA 0.018 4.658 4.640 -0.001 0.000 0.277 644 D C 0.782 177.054 176.300 -0.048 0.000 1.194 644 D CA -0.387 53.564 54.000 -0.081 0.000 1.092 644 D CB -0.165 40.553 40.800 -0.136 0.000 1.169 644 D HN 0.398 nan 8.370 nan 0.000 0.607 645 S N -1.611 114.104 115.700 0.024 0.000 2.428 645 S HA -0.048 4.422 4.470 -0.001 0.000 0.230 645 S C 0.452 175.016 174.600 -0.060 0.000 1.014 645 S CA 0.466 58.687 58.200 0.035 0.000 0.957 645 S CB -0.435 62.927 63.200 0.270 0.000 0.784 645 S HN 0.570 nan 8.310 nan 0.000 0.499 646 E N 0.241 120.402 120.200 -0.065 0.000 3.117 646 E HA 0.459 4.809 4.350 -0.001 0.000 0.262 646 E C 0.373 176.900 176.600 -0.122 0.000 1.202 646 E CA -0.108 56.239 56.400 -0.088 0.000 0.853 646 E CB 0.861 30.531 29.700 -0.050 0.000 1.426 646 E HN 0.373 nan 8.360 nan 0.000 0.387 647 G N 1.131 109.815 108.800 -0.193 0.000 3.586 647 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.212 647 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.212 647 G C 0.546 175.215 174.900 -0.384 0.000 1.411 647 G CA -0.162 44.779 45.100 -0.265 0.000 0.898 647 G HN 0.531 nan 8.290 nan 0.000 0.575 648 c N 2.632 121.095 118.600 -0.228 0.000 2.648 648 c HA 0.357 4.927 4.570 -0.001 0.000 0.419 648 c C 0.920 174.912 174.090 -0.162 0.000 1.352 648 c CA -0.514 55.730 56.329 -0.142 0.000 1.816 648 c CB -0.818 41.654 42.510 -0.062 0.000 2.598 648 c HN 0.337 nan 8.230 nan 0.000 0.598 649 W N 4.350 125.630 121.300 -0.034 0.000 2.659 649 W HA 0.301 4.960 4.660 -0.000 0.000 0.342 649 W C -0.435 176.060 176.519 -0.041 0.000 1.287 649 W CA -0.006 57.319 57.345 -0.033 0.000 1.460 649 W CB 0.217 29.661 29.460 -0.027 0.000 1.503 649 W HN 0.387 nan 8.180 nan 0.000 0.483 650 V N 4.691 124.673 119.914 0.114 0.000 2.385 650 V HA 0.343 4.463 4.120 -0.001 0.000 0.269 650 V C 0.716 176.902 176.094 0.154 0.000 1.043 650 V CA -0.678 61.672 62.300 0.084 0.000 0.906 650 V CB 0.445 32.264 31.823 -0.007 0.000 0.995 650 V HN 0.502 nan 8.190 nan 0.000 0.467 651 A N 5.915 128.812 122.820 0.128 0.000 2.286 651 A HA 0.919 5.239 4.320 -0.001 0.000 0.286 651 A C -0.714 176.959 177.584 0.149 0.000 1.097 651 A CA -0.323 51.727 52.037 0.022 0.000 0.821 651 A CB 0.591 19.622 19.000 0.051 0.000 1.076 651 A HN 1.407 nan 8.150 nan 0.000 0.490 652 Y N -1.657 118.687 120.300 0.073 0.000 2.365 652 Y HA 0.450 5.000 4.550 -0.000 0.000 0.324 652 Y C -0.153 175.794 175.900 0.078 0.000 1.330 652 Y CA -0.595 57.552 58.100 0.080 0.000 1.271 652 Y CB -0.238 38.246 38.460 0.040 0.000 1.306 652 Y HN 0.915 nan 8.280 nan 0.000 0.451 653 T N 0.712 115.425 114.554 0.265 0.000 2.770 653 T HA 0.669 5.019 4.350 -0.001 0.000 0.281 653 T C -0.938 173.908 174.700 0.244 0.000 0.981 653 T CA -0.518 61.693 62.100 0.184 0.000 0.955 653 T CB 1.675 70.633 68.868 0.150 0.000 1.060 653 T HN 1.076 nan 8.240 nan 0.000 0.531 654 L N 0.883 122.205 121.223 0.164 0.000 2.564 654 L HA 0.396 4.735 4.340 -0.001 0.000 0.259 654 L C -0.512 176.458 176.870 0.167 0.000 1.101 654 L CA -0.282 54.650 54.840 0.153 0.000 0.900 654 L CB 1.062 43.169 42.059 0.080 0.000 1.110 654 L HN 0.966 nan 8.230 nan 0.000 0.468 655 E N 3.302 123.601 120.200 0.166 0.000 1.941 655 E HA 0.159 4.509 4.350 -0.001 0.000 0.275 655 E C -0.210 176.481 176.600 0.152 0.000 1.113 655 E CA -0.222 56.259 56.400 0.136 0.000 0.878 655 E CB 0.632 30.388 29.700 0.093 0.000 1.070 655 E HN 0.673 nan 8.360 nan 0.000 0.399 656 Q N 3.201 123.090 119.800 0.149 0.000 2.474 656 Q HA -0.003 4.336 4.340 -0.001 0.000 0.256 656 Q C -0.804 175.143 176.000 -0.089 0.000 1.048 656 Q CA 0.232 55.989 55.803 -0.077 0.000 0.922 656 Q CB 0.722 29.369 28.738 -0.152 0.000 1.288 656 Q HN 0.440 nan 8.270 nan 0.000 0.484 657 Q N 2.205 121.899 119.800 -0.177 0.000 2.280 657 Q HA 0.217 4.557 4.340 -0.001 0.000 0.259 657 Q C -1.056 174.874 176.000 -0.117 0.000 0.964 657 Q CA -0.258 55.487 55.803 -0.096 0.000 0.844 657 Q CB 1.738 30.446 28.738 -0.050 0.000 1.334 657 Q HN 0.876 nan 8.270 nan 0.000 0.423 658 D N 0.812 121.160 120.400 -0.087 0.000 4.100 658 D HA -0.221 4.419 4.640 -0.001 0.000 0.138 658 D C 0.437 176.660 176.300 -0.130 0.000 0.819 658 D CA 2.018 55.963 54.000 -0.092 0.000 1.117 658 D CB -0.981 39.777 40.800 -0.070 0.000 0.537 658 D HN 0.710 nan 8.370 nan 0.000 0.539 659 G N -0.324 108.407 108.800 -0.116 0.000 2.420 659 G HA2 0.497 4.456 3.960 -0.001 0.000 0.284 659 G HA3 0.497 4.456 3.960 -0.001 0.000 0.284 659 G C 0.977 175.808 174.900 -0.114 0.000 1.177 659 G CA 0.459 45.487 45.100 -0.119 0.000 0.841 659 G HN 0.420 nan 8.290 nan 0.000 0.527 660 M N 0.529 120.067 119.600 -0.103 0.000 7.319 660 M HA -0.225 4.255 4.480 -0.001 0.000 0.284 660 M C 0.196 176.486 176.300 -0.018 0.000 0.480 660 M CA 1.620 56.894 55.300 -0.042 0.000 1.311 660 M CB -1.265 31.323 32.600 -0.020 0.000 0.421 660 M HN 0.509 nan 8.290 nan 0.000 0.895 661 D N 2.350 122.786 120.400 0.060 0.000 3.110 661 D HA 0.237 4.877 4.640 -0.001 0.000 0.254 661 D C -0.053 176.333 176.300 0.144 0.000 1.283 661 D CA 0.179 54.300 54.000 0.201 0.000 0.944 661 D CB -0.034 40.945 40.800 0.299 0.000 1.066 661 D HN 0.161 nan 8.370 nan 0.000 0.496 662 R N 1.023 121.433 120.500 -0.150 0.000 2.407 662 R HA 0.551 4.891 4.340 -0.001 0.000 0.303 662 R C -0.508 175.566 176.300 -0.377 0.000 0.981 662 R CA -0.483 55.548 56.100 -0.115 0.000 0.905 662 R CB 1.241 31.480 30.300 -0.102 0.000 1.099 662 R HN 0.125 nan 8.270 nan 0.000 0.459 663 Y N 0.560 120.890 120.300 0.049 0.000 2.818 663 Y HA 0.560 5.109 4.550 -0.001 0.000 0.322 663 Y C -0.778 175.144 175.900 0.036 0.000 1.323 663 Y CA -1.142 56.981 58.100 0.039 0.000 1.090 663 Y CB 1.652 40.130 38.460 0.030 0.000 1.328 663 Y HN 0.395 nan 8.280 nan 0.000 0.482 664 L N 1.954 123.322 121.223 0.242 0.000 2.661 664 L HA 0.675 5.014 4.340 -0.001 0.000 0.263 664 L C -2.279 174.682 176.870 0.151 0.000 0.956 664 L CA -0.148 54.781 54.840 0.149 0.000 0.918 664 L CB 0.861 42.983 42.059 0.106 0.000 1.280 664 L HN 0.447 nan 8.230 nan 0.000 0.416 665 I N 4.425 125.072 120.570 0.128 0.000 2.740 665 I HA 0.492 4.662 4.170 -0.001 0.000 0.303 665 I C -1.277 174.951 176.117 0.184 0.000 1.044 665 I CA -0.578 60.801 61.300 0.131 0.000 1.064 665 I CB 1.985 40.006 38.000 0.035 0.000 1.249 665 I HN 0.583 nan 8.210 nan 0.000 0.433 666 Y N 4.997 125.353 120.300 0.094 0.000 2.426 666 Y HA 0.653 5.203 4.550 -0.001 0.000 0.325 666 Y C -1.166 174.822 175.900 0.147 0.000 0.989 666 Y CA -0.980 57.177 58.100 0.094 0.000 1.284 666 Y CB 1.139 39.647 38.460 0.080 0.000 1.104 666 Y HN 0.313 nan 8.280 nan 0.000 0.481 667 V N 5.859 125.591 119.914 -0.302 0.000 2.427 667 V HA 0.044 4.164 4.120 -0.001 0.000 0.268 667 V C 0.262 176.142 176.094 -0.355 0.000 1.046 667 V CA -0.454 61.767 62.300 -0.132 0.000 0.970 667 V CB 0.455 32.288 31.823 0.018 0.000 1.001 667 V HN 0.753 nan 8.190 nan 0.000 0.476 668 D N 4.656 124.996 120.400 -0.099 0.000 2.571 668 D HA -0.098 4.541 4.640 -0.001 0.000 0.231 668 D C 0.942 177.285 176.300 0.072 0.000 1.133 668 D CA 0.116 54.116 54.000 -0.000 0.000 0.862 668 D CB 0.737 41.638 40.800 0.168 0.000 1.179 668 D HN 0.815 nan 8.370 nan 0.000 0.474 669 E N 1.577 121.792 120.200 0.025 0.000 1.999 669 E HA 0.235 4.585 4.350 -0.001 0.000 0.296 669 E C -0.508 176.179 176.600 0.145 0.000 1.187 669 E CA -0.550 55.864 56.400 0.023 0.000 1.229 669 E CB -0.209 29.481 29.700 -0.017 0.000 1.131 669 E HN 0.155 nan 8.360 nan 0.000 0.478 670 S N 1.652 117.537 115.700 0.307 0.000 2.597 670 S HA 0.485 4.954 4.470 -0.001 0.000 0.274 670 S C -1.434 173.323 174.600 0.261 0.000 1.132 670 S CA -0.858 57.492 58.200 0.250 0.000 0.835 670 S CB 1.356 64.653 63.200 0.162 0.000 1.092 670 S HN 0.494 nan 8.310 nan 0.000 0.457 671 R N 0.590 121.199 120.500 0.180 0.000 2.810 671 R HA 0.621 4.961 4.340 -0.001 0.000 0.266 671 R C -1.496 174.886 176.300 0.137 0.000 1.061 671 R CA -0.927 55.242 56.100 0.115 0.000 0.943 671 R CB 1.799 32.134 30.300 0.059 0.000 1.237 671 R HN 0.690 nan 8.270 nan 0.000 0.459 672 E N 0.393 120.693 120.200 0.166 0.000 2.649 672 E HA 0.187 4.537 4.350 -0.001 0.000 0.310 672 E C -1.017 175.735 176.600 0.254 0.000 1.036 672 E CA -0.223 56.317 56.400 0.234 0.000 0.772 672 E CB 1.286 31.182 29.700 0.327 0.000 1.513 672 E HN 0.443 nan 8.360 nan 0.000 0.384 673 c N 2.060 120.746 118.600 0.143 0.000 2.693 673 c HA 0.128 4.698 4.570 -0.001 0.000 0.286 673 c C 1.537 175.694 174.090 0.111 0.000 1.277 673 c CA -0.224 56.155 56.329 0.084 0.000 1.705 673 c CB -0.800 41.733 42.510 0.038 0.000 1.879 673 c HN 0.663 nan 8.230 nan 0.000 0.607 674 V N 0.000 120.018 119.914 0.173 0.000 2.409 674 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 674 V CA 0.000 62.389 62.300 0.148 0.000 1.235 674 V CB 0.000 31.927 31.823 0.173 0.000 1.184 674 V HN 0.000 nan 8.190 nan 0.000 0.556