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 3k72_1_D DATA FIRST_RESID 1 DATA SEQUENCE QEcTKFKVSS cREcIESGPG cTWcQKLNFT GPGDPDSIRc DTRPQLLMRG DATA SEQUENCE cAADDIMDPT SLAETQEDHN GGQKQLSPQK VTLYLRPGQA AAFNVTFRRA DATA SEQUENCE KGYPIDLYYL MDLSYSMLDD LRNVKKLGGD LLRALNEITE SGRIGFGSFV DATA SEQUENCE DKTVLPFVNT HPDKLRNPcP NKEKEcQPPF AFRHVLKLTN NSNQFQTEVG DATA SEQUENCE KQLISGNLDA PEGGLDAMMQ VAAcPEEIGW RNVTRLLVFA TDDGFHFAGD DATA SEQUENCE GKLGAILTPN DGRcHLEDNL YKRSNEFDYP SVGQLAHKLA ENNIQPIFAV DATA SEQUENCE TSRMVKTYEK LTEIIPKSAV GELSEDSSNV VQLIKNAYNK LSSRVFLDHN DATA SEQUENCE ALPDTLKVTY DSFcSNGVTH RNQPRGDcDG VQINVPITFQ VKVTATEcIQ DATA SEQUENCE EQSFVIRALG FTDIVTVQVL PQcEcRcRDQ SRDRSLcHGK GFLEcGIcRc DATA SEQUENCE DTGYIGKNcE cQTQGRSSQE LEGScRKDNN SIIcSGLGDc VcGQcLcHTS DATA SEQUENCE DVPGKLIYGQ YcEcDTINcE RYNGQVcGGP GRGLcFcGKc RcHPGFEGSA DATA SEQUENCE cQcERTTEGc LNPRRVEcSG RGRcRcNVcE cHSGYQLPLc QECPGCPSPc DATA SEQUENCE GKYIScAEcL KFEKGPFGKN cSAAcPGLQL SNNPVKGRTc KERDSEGcWV DATA SEQUENCE AYTLEQQDGM DRYLIYVDES REc VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 176.008 176.000 0.013 0.000 1.003 1 Q CA 0.000 55.810 55.803 0.012 0.000 1.022 1 Q CB 0.000 28.744 28.738 0.010 0.000 1.108 2 E N 0.121 120.328 120.200 0.012 0.000 2.451 2 E HA 0.532 4.882 4.350 -0.000 0.000 0.295 2 E C -1.657 174.950 176.600 0.011 0.000 0.966 2 E CA -0.681 55.726 56.400 0.012 0.000 0.808 2 E CB 1.698 31.401 29.700 0.006 0.000 1.242 2 E HN 0.272 nan 8.360 nan 0.000 0.412 3 c N 2.967 121.578 118.600 0.017 0.000 3.096 3 c HA 0.358 4.928 4.570 -0.000 0.000 0.391 3 c C -1.003 173.108 174.090 0.036 0.000 1.085 3 c CA 0.009 56.350 56.329 0.021 0.000 1.289 3 c CB 0.386 42.915 42.510 0.031 0.000 1.685 3 c HN 0.789 nan 8.230 nan 0.000 0.515 4 T N 5.093 119.665 114.554 0.029 0.000 2.799 4 T HA 0.339 4.689 4.350 -0.000 0.000 0.286 4 T C -0.195 174.556 174.700 0.084 0.000 0.973 4 T CA -0.329 61.808 62.100 0.062 0.000 1.035 4 T CB 1.054 69.958 68.868 0.061 0.000 0.932 4 T HN 0.643 nan 8.240 nan 0.000 0.469 5 K N 2.715 123.194 120.400 0.131 0.000 2.349 5 K HA 0.263 4.583 4.320 -0.000 0.000 0.289 5 K C -0.283 176.429 176.600 0.186 0.000 1.064 5 K CA -0.341 56.037 56.287 0.152 0.000 0.947 5 K CB 0.385 32.976 32.500 0.151 0.000 1.007 5 K HN 0.468 nan 8.250 nan 0.000 0.478 6 F N 2.466 122.389 119.950 -0.044 0.000 2.291 6 F HA 0.142 4.669 4.527 -0.000 0.000 0.305 6 F C 0.720 176.423 175.800 -0.161 0.000 1.171 6 F CA -0.751 57.132 58.000 -0.194 0.000 1.090 6 F CB 0.590 39.473 39.000 -0.196 0.000 1.436 6 F HN 0.288 nan 8.300 nan 0.000 0.509 7 K N 2.036 121.658 120.400 -1.296 0.000 2.405 7 K HA 0.160 4.480 4.320 -0.000 0.000 0.276 7 K C -1.463 175.078 176.600 -0.099 0.000 1.099 7 K CA 0.010 55.931 56.287 -0.610 0.000 1.120 7 K CB -0.348 31.715 32.500 -0.729 0.000 0.877 7 K HN 0.432 nan 8.250 nan 0.000 0.472 8 V N 4.554 124.468 119.914 -0.001 0.000 2.304 8 V HA 0.049 4.169 4.120 -0.000 0.000 0.269 8 V C 0.787 176.921 176.094 0.066 0.000 1.036 8 V CA -0.146 62.204 62.300 0.084 0.000 0.840 8 V CB 0.913 32.844 31.823 0.180 0.000 1.036 8 V HN 0.898 nan 8.190 nan 0.000 0.466 9 S N 3.330 119.042 115.700 0.020 0.000 2.527 9 S HA 0.182 4.652 4.470 -0.000 0.000 0.227 9 S C 0.896 175.467 174.600 -0.048 0.000 1.059 9 S CA 0.586 58.789 58.200 0.005 0.000 0.919 9 S CB 0.347 63.547 63.200 0.000 0.000 0.805 9 S HN 0.869 nan 8.310 nan 0.000 0.500 10 S N -0.281 115.317 115.700 -0.169 0.000 2.851 10 S HA 0.327 4.797 4.470 -0.000 0.000 0.313 10 S C 1.299 175.366 174.600 -0.888 0.000 1.163 10 S CA -0.135 57.841 58.200 -0.375 0.000 0.850 10 S CB 0.463 63.525 63.200 -0.231 0.000 1.245 10 S HN 0.611 nan 8.310 nan 0.000 0.558 11 c N 0.109 118.005 118.600 -1.174 0.000 2.432 11 c HA 0.184 4.754 4.570 -0.000 0.000 0.280 11 c C 2.570 176.263 174.090 -0.661 0.000 1.353 11 c CA 1.042 56.435 56.329 -1.561 0.000 1.766 11 c CB -1.632 40.118 42.510 -1.267 0.000 1.924 11 c HN 0.972 nan 8.230 nan 0.000 0.509 12 R N 1.263 121.520 120.500 -0.405 0.000 2.090 12 R HA -0.037 4.303 4.340 -0.000 0.000 0.228 12 R C 2.206 178.418 176.300 -0.146 0.000 1.110 12 R CA 1.525 57.498 56.100 -0.211 0.000 0.973 12 R CB -0.344 29.872 30.300 -0.141 0.000 0.869 12 R HN 0.652 nan 8.270 nan 0.000 0.440 13 E N -0.293 119.822 120.200 -0.141 0.000 2.418 13 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 13 E C 1.809 178.416 176.600 0.012 0.000 1.026 13 E CA 0.628 57.011 56.400 -0.027 0.000 0.862 13 E CB 0.011 29.723 29.700 0.020 0.000 0.799 13 E HN 0.394 nan 8.360 nan 0.000 0.518 14 c N 0.462 119.035 118.600 -0.044 0.000 2.504 14 c HA 0.038 4.608 4.570 -0.000 0.000 0.279 14 c C 2.267 176.382 174.090 0.042 0.000 1.358 14 c CA -0.108 56.269 56.329 0.080 0.000 1.747 14 c CB -0.532 42.131 42.510 0.255 0.000 2.037 14 c HN 0.282 nan 8.230 nan 0.000 0.503 15 I N 1.333 121.889 120.570 -0.023 0.000 2.353 15 I HA -0.049 4.121 4.170 -0.000 0.000 0.248 15 I C 2.152 178.240 176.117 -0.048 0.000 1.119 15 I CA 1.442 62.725 61.300 -0.028 0.000 1.417 15 I CB -1.466 36.502 38.000 -0.053 0.000 1.078 15 I HN 0.479 nan 8.210 nan 0.000 0.421 16 E N 0.193 120.352 120.200 -0.067 0.000 2.438 16 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 16 E C 1.678 178.175 176.600 -0.170 0.000 1.110 16 E CA 0.010 56.337 56.400 -0.121 0.000 0.893 16 E CB 0.121 29.737 29.700 -0.139 0.000 0.990 16 E HN 0.306 nan 8.360 nan 0.000 0.490 17 S N -0.286 115.355 115.700 -0.097 0.000 2.468 17 S HA 0.223 4.693 4.470 -0.000 0.000 0.226 17 S C 0.714 175.234 174.600 -0.134 0.000 1.051 17 S CA 0.449 58.587 58.200 -0.103 0.000 0.943 17 S CB 0.960 64.165 63.200 0.008 0.000 0.810 17 S HN 0.416 nan 8.310 nan 0.000 0.509 18 G N 0.502 109.250 108.800 -0.087 0.000 2.325 18 G HA2 0.342 4.302 3.960 -0.000 0.000 0.297 18 G HA3 0.342 4.302 3.960 -0.000 0.000 0.297 18 G C -2.907 171.969 174.900 -0.041 0.000 1.448 18 G CA -0.778 44.275 45.100 -0.079 0.000 0.838 18 G HN -0.159 nan 8.290 nan 0.000 0.579 19 P HA 0.029 nan 4.420 nan 0.000 0.215 19 P C 1.767 179.065 177.300 -0.004 0.000 1.157 19 P CA 1.831 64.922 63.100 -0.016 0.000 0.868 19 P CB 0.153 31.845 31.700 -0.014 0.000 0.788 20 G N -1.586 107.212 108.800 -0.003 0.000 3.332 20 G HA2 0.066 4.026 3.960 -0.000 0.000 0.242 20 G HA3 0.066 4.026 3.960 -0.000 0.000 0.242 20 G C -0.226 174.683 174.900 0.015 0.000 1.276 20 G CA -0.127 44.977 45.100 0.006 0.000 0.988 20 G HN 0.266 nan 8.290 nan 0.000 0.517 21 c N 1.477 120.089 118.600 0.019 0.000 2.273 21 c HA 0.718 5.288 4.570 -0.000 0.000 0.328 21 c C 0.743 174.868 174.090 0.059 0.000 1.275 21 c CA -0.709 55.645 56.329 0.040 0.000 1.704 21 c CB 0.121 42.656 42.510 0.041 0.000 2.326 21 c HN 0.517 nan 8.230 nan 0.000 0.517 22 T N 0.493 115.089 114.554 0.070 0.000 2.942 22 T HA 0.704 5.054 4.350 -0.000 0.000 0.289 22 T C -0.947 173.847 174.700 0.155 0.000 1.044 22 T CA -0.618 61.534 62.100 0.087 0.000 1.023 22 T CB 1.969 70.858 68.868 0.034 0.000 1.123 22 T HN 0.826 nan 8.240 nan 0.000 0.512 23 W N 0.728 121.992 121.300 -0.059 0.000 2.936 23 W HA 0.604 5.264 4.660 -0.000 0.000 0.338 23 W C -1.648 174.797 176.519 -0.123 0.000 1.121 23 W CA -1.423 55.874 57.345 -0.081 0.000 1.209 23 W CB 2.004 31.431 29.460 -0.056 0.000 1.420 23 W HN 0.965 nan 8.180 nan 0.000 0.516 24 c N 6.050 124.084 118.600 -0.944 0.000 2.351 24 c HA 0.298 4.868 4.570 -0.000 0.000 0.326 24 c C 1.198 174.874 174.090 -0.691 0.000 1.272 24 c CA -0.178 55.713 56.329 -0.731 0.000 1.650 24 c CB 0.853 42.805 42.510 -0.930 0.000 2.257 24 c HN 0.791 nan 8.230 nan 0.000 0.505 25 Q N 3.164 122.838 119.800 -0.210 0.000 2.378 25 Q HA 0.117 4.457 4.340 -0.000 0.000 0.216 25 Q C 0.583 176.553 176.000 -0.049 0.000 0.892 25 Q CA -0.026 55.783 55.803 0.009 0.000 0.931 25 Q CB 0.064 28.876 28.738 0.123 0.000 1.086 25 Q HN 0.710 nan 8.270 nan 0.000 0.528 26 K N 2.005 122.333 120.400 -0.120 0.000 2.437 26 K HA 0.026 4.346 4.320 -0.000 0.000 0.277 26 K C -0.414 176.190 176.600 0.006 0.000 1.073 26 K CA -0.109 56.150 56.287 -0.047 0.000 1.105 26 K CB 0.309 32.783 32.500 -0.043 0.000 0.881 26 K HN 0.191 nan 8.250 nan 0.000 0.475 27 L N 3.752 124.996 121.223 0.035 0.000 2.456 27 L HA -0.054 4.286 4.340 -0.000 0.000 0.246 27 L C 0.881 177.798 176.870 0.079 0.000 1.238 27 L CA -0.088 54.783 54.840 0.052 0.000 0.826 27 L CB 0.099 42.179 42.059 0.034 0.000 1.150 27 L HN 0.921 nan 8.230 nan 0.000 0.514 28 N N -0.468 118.268 118.700 0.059 0.000 2.681 28 N HA -0.308 4.432 4.740 -0.000 0.000 0.250 28 N C 0.267 175.811 175.510 0.058 0.000 1.133 28 N CA 1.232 54.306 53.050 0.040 0.000 0.732 28 N CB -1.479 37.022 38.487 0.024 0.000 1.107 28 N HN 0.560 nan 8.380 nan 0.000 0.559 29 F N 0.526 120.440 119.950 -0.060 0.000 2.569 29 F HA 0.130 4.657 4.527 -0.000 0.000 0.295 29 F C 0.750 176.505 175.800 -0.076 0.000 1.115 29 F CA 0.622 58.576 58.000 -0.076 0.000 1.450 29 F CB 0.470 39.402 39.000 -0.114 0.000 1.107 29 F HN -0.149 nan 8.300 nan 0.000 0.563 30 T N 1.592 116.164 114.554 0.030 0.000 2.761 30 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 30 T C 0.733 175.381 174.700 -0.087 0.000 0.934 30 T CA -0.035 62.045 62.100 -0.034 0.000 1.091 30 T CB 0.722 69.599 68.868 0.014 0.000 0.896 30 T HN 0.321 nan 8.240 nan 0.000 0.515 31 G N 3.926 112.651 108.800 -0.125 0.000 2.647 31 G HA2 0.199 4.159 3.960 -0.000 0.000 0.271 31 G HA3 0.199 4.159 3.960 -0.000 0.000 0.271 31 G C -1.241 173.624 174.900 -0.059 0.000 1.300 31 G CA -1.194 43.844 45.100 -0.104 0.000 0.997 31 G HN 0.405 nan 8.290 nan 0.000 0.533 32 P HA -0.068 nan 4.420 nan 0.000 0.217 32 P C 0.993 178.280 177.300 -0.022 0.000 1.158 32 P CA 2.174 65.257 63.100 -0.028 0.000 0.887 32 P CB 0.133 31.819 31.700 -0.024 0.000 0.792 33 G N -1.234 107.551 108.800 -0.025 0.000 4.632 33 G HA2 0.173 4.133 3.960 -0.000 0.000 0.244 33 G HA3 0.173 4.133 3.960 -0.000 0.000 0.244 33 G C -1.187 173.696 174.900 -0.028 0.000 1.070 33 G CA -0.208 44.880 45.100 -0.020 0.000 0.791 33 G HN -0.044 nan 8.290 nan 0.000 0.544 34 D N 1.137 121.515 120.400 -0.036 0.000 2.217 34 D HA 0.484 5.124 4.640 -0.000 0.000 0.248 34 D C -2.244 174.032 176.300 -0.039 0.000 1.008 34 D CA -1.420 52.555 54.000 -0.041 0.000 0.914 34 D CB 2.145 42.912 40.800 -0.056 0.000 1.182 34 D HN 0.029 nan 8.370 nan 0.000 0.451 35 P HA 0.092 nan 4.420 nan 0.000 0.270 35 P C 0.250 177.547 177.300 -0.004 0.000 1.223 35 P CA -0.141 62.930 63.100 -0.048 0.000 0.785 35 P CB 0.749 32.401 31.700 -0.080 0.000 0.923 36 D N -0.380 120.030 120.400 0.017 0.000 2.323 36 D HA -0.078 4.562 4.640 -0.000 0.000 0.209 36 D C 1.531 177.877 176.300 0.076 0.000 0.973 36 D CA 0.952 54.986 54.000 0.056 0.000 0.874 36 D CB -0.205 40.651 40.800 0.093 0.000 0.930 36 D HN 0.362 nan 8.370 nan 0.000 0.521 37 S N 0.593 116.336 115.700 0.071 0.000 2.555 37 S HA -0.072 4.398 4.470 -0.000 0.000 0.230 37 S C 2.134 176.766 174.600 0.054 0.000 0.978 37 S CA 0.003 58.265 58.200 0.103 0.000 0.934 37 S CB -0.729 62.519 63.200 0.081 0.000 0.766 37 S HN 0.500 nan 8.310 nan 0.000 0.533 38 I N -0.711 119.873 120.570 0.023 0.000 2.676 38 I HA 0.022 4.192 4.170 -0.000 0.000 0.259 38 I C 2.243 178.348 176.117 -0.020 0.000 1.194 38 I CA 0.611 61.935 61.300 0.040 0.000 1.473 38 I CB -0.379 37.669 38.000 0.081 0.000 1.096 38 I HN 0.091 nan 8.210 nan 0.000 0.443 39 R N 0.531 120.900 120.500 -0.217 0.000 2.237 39 R HA -0.016 4.324 4.340 -0.000 0.000 0.219 39 R C 0.730 176.649 176.300 -0.635 0.000 1.080 39 R CA 0.734 56.425 56.100 -0.681 0.000 0.995 39 R CB -0.376 29.148 30.300 -1.293 0.000 0.875 39 R HN 0.444 nan 8.270 nan 0.000 0.462 40 c N 1.733 120.206 118.600 -0.211 0.000 2.184 40 c HA 0.315 4.885 4.570 -0.000 0.000 0.328 40 c C -0.511 173.603 174.090 0.040 0.000 1.081 40 c CA -0.796 55.567 56.329 0.056 0.000 1.533 40 c CB -0.800 41.900 42.510 0.315 0.000 1.905 40 c HN 0.288 nan 8.230 nan 0.000 0.439 41 D N 1.533 121.933 120.400 0.000 0.000 2.898 41 D HA 0.531 5.171 4.640 -0.000 0.000 0.266 41 D C -0.101 176.210 176.300 0.018 0.000 1.173 41 D CA 0.186 54.197 54.000 0.019 0.000 1.078 41 D CB 1.904 42.712 40.800 0.013 0.000 1.326 41 D HN 0.501 nan 8.370 nan 0.000 0.622 42 T N -1.717 112.847 114.554 0.017 0.000 2.922 42 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 42 T C 1.198 175.900 174.700 0.003 0.000 1.005 42 T CA -0.498 61.611 62.100 0.014 0.000 1.061 42 T CB 1.626 70.504 68.868 0.017 0.000 1.007 42 T HN 0.443 nan 8.240 nan 0.000 0.502 43 R N 1.331 121.833 120.500 0.003 0.000 2.103 43 R HA -0.087 4.253 4.340 -0.000 0.000 0.242 43 R C -0.938 175.361 176.300 -0.002 0.000 1.142 43 R CA 1.703 57.800 56.100 -0.005 0.000 0.960 43 R CB -1.480 28.820 30.300 0.000 0.000 0.858 43 R HN 0.534 nan 8.270 nan 0.000 0.439 44 P HA -0.139 nan 4.420 nan 0.000 0.215 44 P C 0.950 178.258 177.300 0.013 0.000 1.157 44 P CA 1.141 64.247 63.100 0.009 0.000 0.863 44 P CB -0.080 31.626 31.700 0.011 0.000 0.787 45 Q N -0.568 119.241 119.800 0.016 0.000 2.124 45 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 45 Q C 2.303 178.324 176.000 0.036 0.000 0.977 45 Q CA 1.223 57.041 55.803 0.026 0.000 0.850 45 Q CB -1.052 27.703 28.738 0.028 0.000 0.901 45 Q HN 0.359 nan 8.270 nan 0.000 0.429 46 L N 0.066 121.297 121.223 0.013 0.000 2.046 46 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 46 L C 2.401 179.291 176.870 0.033 0.000 1.077 46 L CA 0.928 55.768 54.840 0.001 0.000 0.747 46 L CB -0.516 41.494 42.059 -0.081 0.000 0.896 46 L HN 0.189 nan 8.230 nan 0.000 0.432 47 L N -1.029 120.205 121.223 0.018 0.000 2.156 47 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 47 L C 2.566 179.457 176.870 0.036 0.000 1.095 47 L CA 1.032 55.886 54.840 0.024 0.000 0.770 47 L CB -0.334 41.732 42.059 0.012 0.000 0.914 47 L HN 0.350 nan 8.230 nan 0.000 0.439 48 M N -0.416 119.205 119.600 0.035 0.000 2.394 48 M HA -0.134 4.346 4.480 -0.000 0.000 0.264 48 M C 2.167 178.490 176.300 0.039 0.000 1.073 48 M CA 1.484 56.802 55.300 0.030 0.000 1.111 48 M CB 0.046 32.661 32.600 0.024 0.000 1.401 48 M HN 0.103 nan 8.290 nan 0.000 0.448 49 R N -0.760 119.783 120.500 0.072 0.000 2.173 49 R HA 0.153 4.493 4.340 -0.000 0.000 0.208 49 R C 1.407 177.763 176.300 0.093 0.000 1.035 49 R CA 0.876 57.027 56.100 0.085 0.000 1.004 49 R CB 0.312 30.726 30.300 0.190 0.000 0.917 49 R HN 0.636 nan 8.270 nan 0.000 0.462 50 G N 0.251 109.130 108.800 0.132 0.000 2.480 50 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.193 50 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.193 50 G C 0.120 175.118 174.900 0.164 0.000 1.004 50 G CA -0.252 44.920 45.100 0.120 0.000 0.696 50 G HN 0.335 nan 8.290 nan 0.000 0.478 51 c N 3.245 121.993 118.600 0.248 0.000 2.517 51 c HA 0.525 5.095 4.570 -0.000 0.000 0.403 51 c C 1.750 175.837 174.090 -0.005 0.000 1.467 51 c CA 0.295 56.653 56.329 0.047 0.000 1.542 51 c CB -1.392 40.979 42.510 -0.232 0.000 2.482 51 c HN 1.514 nan 8.230 nan 0.000 0.610 52 A N 5.311 128.126 122.820 -0.009 0.000 2.536 52 A HA 0.440 4.760 4.320 -0.000 0.000 0.234 52 A C 1.352 178.920 177.584 -0.026 0.000 1.076 52 A CA 0.595 52.627 52.037 -0.009 0.000 0.769 52 A CB 0.010 19.007 19.000 -0.005 0.000 1.020 52 A HN 1.765 nan 8.150 nan 0.000 0.508 53 A N 0.501 123.313 122.820 -0.013 0.000 1.897 53 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 53 A C 1.425 179.001 177.584 -0.014 0.000 1.181 53 A CA 1.721 53.749 52.037 -0.014 0.000 0.620 53 A CB -0.580 18.417 19.000 -0.005 0.000 0.821 53 A HN 0.906 nan 8.150 nan 0.000 0.443 54 D N -0.573 119.821 120.400 -0.009 0.000 2.363 54 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 54 D C 0.266 176.562 176.300 -0.007 0.000 1.020 54 D CA 0.622 54.619 54.000 -0.005 0.000 0.892 54 D CB -0.275 40.524 40.800 -0.001 0.000 0.900 54 D HN 0.283 nan 8.370 nan 0.000 0.531 55 D N -0.034 120.353 120.400 -0.022 0.000 2.349 55 D HA 0.163 4.802 4.640 -0.000 0.000 0.214 55 D C 0.237 176.511 176.300 -0.042 0.000 1.063 55 D CA -0.133 53.846 54.000 -0.035 0.000 0.847 55 D CB 0.684 41.444 40.800 -0.067 0.000 0.933 55 D HN 0.346 nan 8.370 nan 0.000 0.513 56 I N 2.293 122.845 120.570 -0.029 0.000 2.287 56 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 56 I C 0.385 176.521 176.117 0.031 0.000 1.069 56 I CA -0.321 60.967 61.300 -0.019 0.000 1.237 56 I CB 0.556 38.539 38.000 -0.029 0.000 1.418 56 I HN -0.337 nan 8.210 nan 0.000 0.481 57 M N 5.048 124.700 119.600 0.087 0.000 2.242 57 M HA 0.191 4.671 4.480 -0.000 0.000 0.344 57 M C -0.209 176.137 176.300 0.077 0.000 1.140 57 M CA 0.480 55.836 55.300 0.094 0.000 1.160 57 M CB 0.539 33.224 32.600 0.142 0.000 1.491 57 M HN 0.397 nan 8.290 nan 0.000 0.459 58 D N 2.713 123.140 120.400 0.045 0.000 3.171 58 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 58 D C -2.566 173.744 176.300 0.018 0.000 1.432 58 D CA -0.799 53.220 54.000 0.032 0.000 0.892 58 D CB 0.778 41.593 40.800 0.026 0.000 1.499 58 D HN 0.198 nan 8.370 nan 0.000 0.597 59 P HA 0.282 nan 4.420 nan 0.000 0.270 59 P C -0.594 176.713 177.300 0.011 0.000 1.242 59 P CA 0.100 63.205 63.100 0.008 0.000 0.768 59 P CB 1.021 32.723 31.700 0.003 0.000 0.820 60 T N 1.213 115.774 114.554 0.011 0.000 2.908 60 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 60 T C -0.123 174.593 174.700 0.026 0.000 1.034 60 T CA -0.649 61.461 62.100 0.016 0.000 1.010 60 T CB 1.154 70.028 68.868 0.010 0.000 1.068 60 T HN 0.098 nan 8.240 nan 0.000 0.481 61 S N 1.975 117.698 115.700 0.038 0.000 2.545 61 S HA 0.661 5.131 4.470 -0.000 0.000 0.275 61 S C -0.189 174.445 174.600 0.057 0.000 1.299 61 S CA -0.740 57.498 58.200 0.063 0.000 1.048 61 S CB -0.090 63.151 63.200 0.069 0.000 0.938 61 S HN 0.593 nan 8.310 nan 0.000 0.496 62 L N -0.509 120.755 121.223 0.069 0.000 2.654 62 L HA 1.055 5.395 4.340 -0.000 0.000 0.257 62 L C -0.928 175.992 176.870 0.084 0.000 1.093 62 L CA -1.337 53.534 54.840 0.052 0.000 0.903 62 L CB 1.167 43.219 42.059 -0.012 0.000 1.520 62 L HN 0.566 nan 8.230 nan 0.000 0.402 63 A N -0.279 122.581 122.820 0.066 0.000 2.365 63 A HA 0.739 5.059 4.320 -0.000 0.000 0.318 63 A C -1.076 176.521 177.584 0.022 0.000 1.091 63 A CA -0.382 51.693 52.037 0.062 0.000 0.763 63 A CB 1.460 20.534 19.000 0.122 0.000 1.248 63 A HN 0.775 nan 8.150 nan 0.000 0.442 64 E N 1.689 121.897 120.200 0.013 0.000 2.092 64 E HA 0.380 4.730 4.350 -0.000 0.000 0.271 64 E C -0.522 176.062 176.600 -0.026 0.000 0.919 64 E CA -0.374 56.029 56.400 0.005 0.000 0.760 64 E CB 0.673 30.414 29.700 0.069 0.000 1.106 64 E HN 0.612 nan 8.360 nan 0.000 0.408 65 T N 2.113 116.659 114.554 -0.014 0.000 3.281 65 T HA 0.219 4.569 4.350 -0.000 0.000 0.359 65 T C 0.133 174.821 174.700 -0.020 0.000 1.459 65 T CA -0.714 61.379 62.100 -0.012 0.000 1.114 65 T CB 0.338 69.217 68.868 0.018 0.000 1.162 65 T HN 0.425 nan 8.240 nan 0.000 0.665 66 Q N 2.629 122.409 119.800 -0.033 0.000 2.513 66 Q HA 0.120 4.460 4.340 -0.000 0.000 0.227 66 Q C 0.048 176.020 176.000 -0.047 0.000 1.257 66 Q CA 0.029 55.807 55.803 -0.041 0.000 0.915 66 Q CB 0.364 29.078 28.738 -0.041 0.000 1.507 66 Q HN 0.692 nan 8.270 nan 0.000 0.543 67 E N 1.614 121.785 120.200 -0.047 0.000 2.383 67 E HA 0.022 4.372 4.350 -0.000 0.000 0.264 67 E C -0.496 176.047 176.600 -0.096 0.000 1.050 67 E CA -0.308 56.064 56.400 -0.047 0.000 0.896 67 E CB 0.747 30.427 29.700 -0.033 0.000 0.982 67 E HN 0.363 nan 8.360 nan 0.000 0.424 68 D N 0.605 120.961 120.400 -0.072 0.000 2.447 68 D HA 0.092 4.732 4.640 -0.000 0.000 0.265 68 D C 0.789 177.001 176.300 -0.146 0.000 1.250 68 D CA -0.143 53.792 54.000 -0.107 0.000 1.046 68 D CB 0.405 41.220 40.800 0.025 0.000 1.095 68 D HN 0.416 nan 8.370 nan 0.000 0.555 69 H N -0.366 118.709 119.070 0.009 0.000 2.343 69 H HA 0.164 4.720 4.556 -0.000 0.000 0.307 69 H C 0.470 175.804 175.328 0.010 0.000 1.045 69 H CA 0.639 56.692 56.048 0.008 0.000 1.281 69 H CB 0.028 29.795 29.762 0.008 0.000 1.425 69 H HN 0.193 nan 8.280 nan 0.000 0.540 70 N N -2.495 116.313 118.700 0.181 0.000 3.171 70 N HA 0.268 5.008 4.740 -0.000 0.000 0.239 70 N C 0.229 175.785 175.510 0.077 0.000 1.275 70 N CA 0.561 53.667 53.050 0.095 0.000 0.920 70 N CB 1.341 39.869 38.487 0.068 0.000 1.554 70 N HN 0.615 nan 8.380 nan 0.000 0.504 71 G N 0.123 108.961 108.800 0.063 0.000 2.212 71 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.266 71 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.266 71 G C 1.072 176.007 174.900 0.058 0.000 0.978 71 G CA 1.345 46.479 45.100 0.057 0.000 0.632 71 G HN 1.060 nan 8.290 nan 0.000 0.537 72 G N -0.545 108.298 108.800 0.071 0.000 2.545 72 G HA2 0.192 4.152 3.960 -0.000 0.000 0.217 72 G HA3 0.192 4.152 3.960 -0.000 0.000 0.217 72 G C 0.729 175.664 174.900 0.058 0.000 1.218 72 G CA 1.698 46.840 45.100 0.071 0.000 0.787 72 G HN 0.681 nan 8.290 nan 0.000 0.571 73 Q N -2.064 117.772 119.800 0.059 0.000 2.553 73 Q HA 0.414 4.754 4.340 -0.000 0.000 0.293 73 Q C 0.252 176.288 176.000 0.059 0.000 1.038 73 Q CA -0.845 54.993 55.803 0.060 0.000 0.777 73 Q CB 2.174 30.951 28.738 0.064 0.000 1.487 73 Q HN 0.090 nan 8.270 nan 0.000 0.426 74 K N 0.196 120.635 120.400 0.064 0.000 2.161 74 K HA 0.100 4.420 4.320 -0.000 0.000 0.205 74 K C 0.728 177.329 176.600 0.002 0.000 1.035 74 K CA 0.674 56.995 56.287 0.057 0.000 0.970 74 K CB 0.486 33.053 32.500 0.111 0.000 0.866 74 K HN 0.344 nan 8.250 nan 0.000 0.461 75 Q N 0.073 119.855 119.800 -0.029 0.000 2.057 75 Q HA 0.298 4.638 4.340 -0.000 0.000 0.216 75 Q C -0.652 175.341 176.000 -0.012 0.000 0.788 75 Q CA 0.070 55.763 55.803 -0.182 0.000 1.053 75 Q CB 1.326 29.738 28.738 -0.544 0.000 1.210 75 Q HN 0.169 nan 8.270 nan 0.000 0.455 76 L N 2.205 123.518 121.223 0.151 0.000 2.356 76 L HA 0.404 4.744 4.340 -0.000 0.000 0.264 76 L C -0.369 176.596 176.870 0.158 0.000 1.029 76 L CA -0.357 54.636 54.840 0.254 0.000 0.897 76 L CB 1.071 43.272 42.059 0.237 0.000 1.256 76 L HN 0.008 nan 8.230 nan 0.000 0.444 77 S N 2.743 118.535 115.700 0.153 0.000 2.568 77 S HA 0.761 5.231 4.470 -0.000 0.000 0.293 77 S C -2.789 171.896 174.600 0.142 0.000 1.089 77 S CA -1.586 56.682 58.200 0.114 0.000 0.945 77 S CB 2.219 65.463 63.200 0.074 0.000 1.077 77 S HN 0.154 nan 8.310 nan 0.000 0.485 78 P HA 0.304 nan 4.420 nan 0.000 0.274 78 P C -0.320 177.022 177.300 0.069 0.000 1.260 78 P CA -0.177 62.970 63.100 0.079 0.000 0.793 78 P CB 0.500 32.239 31.700 0.064 0.000 1.048 79 Q N -0.973 118.847 119.800 0.033 0.000 2.378 79 Q HA 0.161 4.501 4.340 -0.000 0.000 0.216 79 Q C -0.067 175.926 176.000 -0.012 0.000 0.892 79 Q CA 1.034 56.852 55.803 0.024 0.000 0.931 79 Q CB 0.301 29.054 28.738 0.024 0.000 1.086 79 Q HN 0.419 nan 8.270 nan 0.000 0.528 80 K N 0.301 120.679 120.400 -0.036 0.000 2.687 80 K HA 0.422 4.742 4.320 -0.000 0.000 0.249 80 K C -1.543 174.986 176.600 -0.119 0.000 0.994 80 K CA -0.339 55.900 56.287 -0.080 0.000 0.913 80 K CB 2.580 35.042 32.500 -0.063 0.000 1.202 80 K HN -0.237 nan 8.250 nan 0.000 0.460 81 V N 2.683 122.471 119.914 -0.211 0.000 2.294 81 V HA 0.174 4.294 4.120 -0.000 0.000 0.272 81 V C -0.071 175.831 176.094 -0.320 0.000 1.027 81 V CA -0.503 61.602 62.300 -0.325 0.000 0.823 81 V CB 1.215 32.636 31.823 -0.670 0.000 1.030 81 V HN 0.683 nan 8.190 nan 0.000 0.457 82 T N 7.097 121.544 114.554 -0.179 0.000 3.162 82 T HA 0.418 4.768 4.350 -0.000 0.000 0.316 82 T C -0.069 174.613 174.700 -0.029 0.000 1.182 82 T CA -0.324 61.702 62.100 -0.122 0.000 1.015 82 T CB -0.297 68.556 68.868 -0.026 0.000 1.089 82 T HN 0.499 nan 8.240 nan 0.000 0.646 83 L N 0.518 121.667 121.223 -0.124 0.000 2.395 83 L HA 0.595 4.935 4.340 -0.000 0.000 0.269 83 L C -0.813 176.085 176.870 0.047 0.000 1.133 83 L CA -0.710 54.138 54.840 0.014 0.000 0.812 83 L CB -0.148 41.878 42.059 -0.054 0.000 1.125 83 L HN 0.250 nan 8.230 nan 0.000 0.452 84 Y N 3.632 123.913 120.300 -0.030 0.000 2.721 84 Y HA 0.553 5.103 4.550 -0.000 0.000 0.328 84 Y C -0.445 175.455 175.900 -0.000 0.000 1.003 84 Y CA -0.904 57.187 58.100 -0.016 0.000 1.275 84 Y CB 1.269 39.719 38.460 -0.017 0.000 1.097 84 Y HN 0.560 nan 8.280 nan 0.000 0.514 85 L N 4.788 126.064 121.223 0.088 0.000 2.257 85 L HA 0.511 4.851 4.340 -0.000 0.000 0.290 85 L C -0.025 176.873 176.870 0.046 0.000 1.044 85 L CA -0.739 54.142 54.840 0.069 0.000 0.810 85 L CB 0.726 42.817 42.059 0.053 0.000 1.193 85 L HN 0.569 nan 8.230 nan 0.000 0.425 86 R N 6.438 126.965 120.500 0.044 0.000 2.308 86 R HA 0.482 4.822 4.340 -0.000 0.000 0.305 86 R C -2.362 173.942 176.300 0.007 0.000 1.053 86 R CA -1.663 54.450 56.100 0.021 0.000 0.957 86 R CB 0.850 31.161 30.300 0.018 0.000 1.022 86 R HN 0.454 nan 8.270 nan 0.000 0.461 87 P HA -0.008 nan 4.420 nan 0.000 0.264 87 P C 0.340 177.626 177.300 -0.023 0.000 1.183 87 P CA 1.209 64.298 63.100 -0.018 0.000 0.763 87 P CB 0.788 32.468 31.700 -0.034 0.000 0.807 88 G N 1.656 110.444 108.800 -0.020 0.000 2.320 88 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.242 88 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.242 88 G C 0.231 175.124 174.900 -0.011 0.000 1.033 88 G CA 0.012 45.098 45.100 -0.024 0.000 0.620 88 G HN 0.640 nan 8.290 nan 0.000 0.517 89 Q N 0.921 120.720 119.800 -0.003 0.000 2.271 89 Q HA 0.689 5.029 4.340 -0.000 0.000 0.258 89 Q C 0.168 176.180 176.000 0.019 0.000 0.936 89 Q CA 0.012 55.819 55.803 0.008 0.000 0.909 89 Q CB 1.290 30.035 28.738 0.012 0.000 1.253 89 Q HN 0.815 nan 8.270 nan 0.000 0.440 90 A N 2.435 125.267 122.820 0.020 0.000 2.331 90 A HA 0.695 5.015 4.320 -0.000 0.000 0.283 90 A C -0.694 176.920 177.584 0.050 0.000 1.142 90 A CA -0.214 51.839 52.037 0.026 0.000 0.812 90 A CB 0.812 19.818 19.000 0.010 0.000 1.074 90 A HN 0.753 nan 8.150 nan 0.000 0.497 91 A N 1.675 124.545 122.820 0.083 0.000 2.276 91 A HA 0.712 5.032 4.320 -0.000 0.000 0.316 91 A C 0.191 177.877 177.584 0.170 0.000 1.229 91 A CA 0.114 52.233 52.037 0.136 0.000 0.851 91 A CB 0.604 19.710 19.000 0.177 0.000 1.165 91 A HN 2.037 nan 8.150 nan 0.000 0.513 92 A N 2.358 125.268 122.820 0.149 0.000 2.318 92 A HA 0.820 5.140 4.320 -0.000 0.000 0.317 92 A C -0.714 176.982 177.584 0.187 0.000 1.159 92 A CA -0.518 51.561 52.037 0.070 0.000 0.799 92 A CB 0.204 19.214 19.000 0.017 0.000 1.194 92 A HN 1.557 nan 8.150 nan 0.000 0.479 93 F N 0.919 120.891 119.950 0.037 0.000 2.561 93 F HA 0.637 5.164 4.527 -0.000 0.000 0.313 93 F C -0.461 175.382 175.800 0.071 0.000 1.126 93 F CA -1.331 56.697 58.000 0.047 0.000 0.918 93 F CB 1.035 40.060 39.000 0.042 0.000 1.199 93 F HN 0.355 nan 8.300 nan 0.000 0.444 94 N N 1.210 119.996 118.700 0.143 0.000 2.445 94 N HA 0.587 5.327 4.740 -0.000 0.000 0.264 94 N C -1.098 174.522 175.510 0.184 0.000 1.227 94 N CA -0.583 52.530 53.050 0.105 0.000 0.963 94 N CB 1.784 40.321 38.487 0.084 0.000 1.188 94 N HN 0.543 nan 8.380 nan 0.000 0.491 95 V N 0.698 120.731 119.914 0.198 0.000 2.445 95 V HA 0.223 4.343 4.120 -0.000 0.000 0.283 95 V C -0.335 175.906 176.094 0.245 0.000 1.014 95 V CA -0.765 61.693 62.300 0.264 0.000 0.852 95 V CB 1.217 33.254 31.823 0.356 0.000 1.021 95 V HN 0.572 nan 8.190 nan 0.000 0.435 96 T N 5.780 120.446 114.554 0.186 0.000 2.761 96 T HA 0.468 4.818 4.350 -0.000 0.000 0.296 96 T C -0.704 174.130 174.700 0.223 0.000 0.934 96 T CA 0.345 62.533 62.100 0.146 0.000 1.091 96 T CB 0.104 69.018 68.868 0.078 0.000 0.896 96 T HN 0.458 nan 8.240 nan 0.000 0.515 97 F N 4.306 124.289 119.950 0.055 0.000 2.553 97 F HA 0.475 5.002 4.527 -0.000 0.000 0.335 97 F C 0.009 175.820 175.800 0.019 0.000 1.148 97 F CA -1.066 56.967 58.000 0.056 0.000 0.963 97 F CB 0.943 40.019 39.000 0.127 0.000 1.217 97 F HN 0.395 nan 8.300 nan 0.000 0.441 98 R N 6.804 127.031 120.500 -0.455 0.000 2.477 98 R HA 0.355 4.695 4.340 -0.000 0.000 0.285 98 R C -0.149 175.859 176.300 -0.486 0.000 1.415 98 R CA -0.722 55.177 56.100 -0.336 0.000 1.446 98 R CB 0.451 30.653 30.300 -0.163 0.000 1.110 98 R HN 0.859 nan 8.270 nan 0.000 0.590 99 R N 1.650 121.781 120.500 -0.614 0.000 2.802 99 R HA -0.057 4.283 4.340 -0.000 0.000 0.264 99 R C -0.056 176.142 176.300 -0.170 0.000 0.996 99 R CA 1.295 57.162 56.100 -0.389 0.000 1.123 99 R CB 0.710 30.976 30.300 -0.058 0.000 0.996 99 R HN 0.702 nan 8.270 nan 0.000 0.444 100 A N 2.815 125.576 122.820 -0.097 0.000 2.016 100 A HA 0.263 4.582 4.320 -0.000 0.000 0.202 100 A C 0.113 177.647 177.584 -0.084 0.000 1.632 100 A CA 0.513 52.497 52.037 -0.088 0.000 0.891 100 A CB 0.432 19.381 19.000 -0.086 0.000 1.103 100 A HN 0.660 nan 8.150 nan 0.000 0.547 101 K N -2.776 117.562 120.400 -0.104 0.000 2.999 101 K HA 0.423 4.743 4.320 -0.000 0.000 0.295 101 K C -1.210 175.238 176.600 -0.253 0.000 1.082 101 K CA -0.101 56.080 56.287 -0.176 0.000 0.816 101 K CB 0.654 33.018 32.500 -0.227 0.000 1.492 101 K HN 0.456 nan 8.250 nan 0.000 0.362 102 G N 1.303 109.958 108.800 -0.242 0.000 2.335 102 G HA2 0.523 4.483 3.960 -0.000 0.000 0.316 102 G HA3 0.523 4.483 3.960 -0.000 0.000 0.316 102 G C -1.207 173.572 174.900 -0.202 0.000 1.129 102 G CA -0.222 44.793 45.100 -0.143 0.000 0.899 102 G HN 0.318 nan 8.290 nan 0.000 0.448 103 Y N 1.841 122.202 120.300 0.101 0.000 2.418 103 Y HA 0.375 4.925 4.550 -0.000 0.000 0.327 103 Y C -1.658 174.296 175.900 0.091 0.000 1.309 103 Y CA -2.121 56.034 58.100 0.091 0.000 1.423 103 Y CB 0.595 39.119 38.460 0.108 0.000 1.423 103 Y HN 0.318 nan 8.280 nan 0.000 0.532 104 P HA -0.006 nan 4.420 nan 0.000 0.258 104 P C -0.381 177.027 177.300 0.179 0.000 1.187 104 P CA 0.515 63.717 63.100 0.171 0.000 0.767 104 P CB 0.157 31.945 31.700 0.147 0.000 0.770 105 I N 2.754 123.419 120.570 0.159 0.000 2.886 105 I HA 0.266 4.436 4.170 -0.000 0.000 0.299 105 I C 0.058 176.259 176.117 0.139 0.000 1.044 105 I CA 0.098 61.503 61.300 0.174 0.000 1.310 105 I CB 0.938 39.052 38.000 0.191 0.000 1.441 105 I HN 0.198 nan 8.210 nan 0.000 0.578 106 D N 5.633 126.129 120.400 0.160 0.000 2.445 106 D HA 0.287 4.927 4.640 -0.000 0.000 0.236 106 D C -0.925 175.496 176.300 0.201 0.000 1.315 106 D CA -0.284 53.808 54.000 0.153 0.000 0.924 106 D CB 0.586 41.523 40.800 0.229 0.000 1.447 106 D HN 0.305 nan 8.370 nan 0.000 0.532 107 L N 1.666 122.967 121.223 0.129 0.000 2.456 107 L HA 0.461 4.801 4.340 -0.000 0.000 0.257 107 L C -0.549 176.470 176.870 0.249 0.000 1.162 107 L CA -0.649 54.296 54.840 0.176 0.000 0.808 107 L CB 0.862 42.989 42.059 0.113 0.000 1.136 107 L HN 0.326 nan 8.230 nan 0.000 0.466 108 Y N 0.597 121.009 120.300 0.188 0.000 2.358 108 Y HA 0.226 4.776 4.550 -0.000 0.000 0.324 108 Y C -1.313 174.738 175.900 0.251 0.000 1.123 108 Y CA -0.738 57.501 58.100 0.232 0.000 1.067 108 Y CB 1.210 39.856 38.460 0.311 0.000 1.230 108 Y HN 0.339 nan 8.280 nan 0.000 0.429 109 Y N 7.325 127.580 120.300 -0.076 0.000 2.594 109 Y HA 0.444 4.994 4.550 -0.000 0.000 0.342 109 Y C -0.848 174.969 175.900 -0.138 0.000 1.010 109 Y CA -0.510 57.603 58.100 0.023 0.000 1.270 109 Y CB 0.400 38.988 38.460 0.212 0.000 1.125 109 Y HN 0.560 nan 8.280 nan 0.000 0.513 110 L N 7.932 129.135 121.223 -0.033 0.000 2.334 110 L HA 0.274 4.614 4.340 -0.000 0.000 0.286 110 L C -0.073 176.781 176.870 -0.027 0.000 1.108 110 L CA 0.053 54.969 54.840 0.127 0.000 0.875 110 L CB 0.091 42.320 42.059 0.283 0.000 1.246 110 L HN 0.634 nan 8.230 nan 0.000 0.439 111 M N 2.921 122.427 119.600 -0.157 0.000 2.268 111 M HA 0.313 4.793 4.480 -0.000 0.000 0.344 111 M C -0.639 175.208 176.300 -0.755 0.000 1.106 111 M CA -0.609 54.547 55.300 -0.240 0.000 1.010 111 M CB 1.740 34.499 32.600 0.265 0.000 1.649 111 M HN 0.278 nan 8.290 nan 0.000 0.443 112 D N 4.946 124.794 120.400 -0.920 0.000 2.325 112 D HA 0.213 4.852 4.640 -0.000 0.000 0.251 112 D C -0.989 175.075 176.300 -0.393 0.000 1.196 112 D CA 0.052 53.428 54.000 -1.039 0.000 0.866 112 D CB 0.526 40.986 40.800 -0.568 0.000 1.101 112 D HN 0.656 nan 8.370 nan 0.000 0.476 113 L N 3.946 125.000 121.223 -0.282 0.000 2.358 113 L HA 0.274 4.614 4.340 -0.000 0.000 0.274 113 L C 0.040 176.902 176.870 -0.014 0.000 1.136 113 L CA -0.318 54.505 54.840 -0.027 0.000 0.970 113 L CB 0.082 42.271 42.059 0.217 0.000 1.314 113 L HN 0.321 nan 8.230 nan 0.000 0.427 114 S N -0.082 115.617 115.700 -0.001 0.000 2.806 114 S HA 0.262 4.732 4.470 -0.000 0.000 0.315 114 S C 0.317 174.974 174.600 0.095 0.000 1.127 114 S CA -0.491 57.744 58.200 0.059 0.000 0.918 114 S CB 1.355 64.592 63.200 0.061 0.000 1.240 114 S HN 0.454 nan 8.310 nan 0.000 0.552 115 Y N 1.761 122.080 120.300 0.031 0.000 2.561 115 Y HA -0.029 4.521 4.550 -0.000 0.000 0.291 115 Y C 2.343 178.261 175.900 0.030 0.000 1.141 115 Y CA 1.317 59.436 58.100 0.032 0.000 1.303 115 Y CB 0.024 38.503 38.460 0.033 0.000 1.015 115 Y HN 0.678 nan 8.280 nan 0.000 0.547 116 S N -1.303 114.484 115.700 0.146 0.000 2.501 116 S HA 0.012 4.482 4.470 -0.000 0.000 0.220 116 S C 1.107 175.726 174.600 0.032 0.000 0.997 116 S CA 0.240 58.496 58.200 0.095 0.000 0.919 116 S CB -0.085 63.178 63.200 0.105 0.000 0.778 116 S HN 0.236 nan 8.310 nan 0.000 0.523 117 M N 1.590 121.194 119.600 0.007 0.000 3.007 117 M HA 0.420 4.900 4.480 -0.000 0.000 0.288 117 M C 0.488 176.761 176.300 -0.046 0.000 1.246 117 M CA -0.108 55.188 55.300 -0.008 0.000 1.040 117 M CB -0.501 32.095 32.600 -0.008 0.000 1.254 117 M HN 0.323 nan 8.290 nan 0.000 0.517 118 L N 0.700 121.863 121.223 -0.100 0.000 2.062 118 L HA -0.142 4.198 4.340 -0.000 0.000 0.202 118 L C 2.000 178.815 176.870 -0.092 0.000 1.079 118 L CA 1.307 56.055 54.840 -0.154 0.000 0.755 118 L CB -0.397 41.482 42.059 -0.299 0.000 0.913 118 L HN 0.371 nan 8.230 nan 0.000 0.445 119 D N -1.099 119.260 120.400 -0.069 0.000 2.351 119 D HA -0.189 4.451 4.640 -0.000 0.000 0.216 119 D C 1.263 177.551 176.300 -0.019 0.000 0.968 119 D CA 0.880 54.856 54.000 -0.040 0.000 0.899 119 D CB -0.422 40.364 40.800 -0.022 0.000 0.907 119 D HN 0.254 nan 8.370 nan 0.000 0.514 120 D N 0.179 120.573 120.400 -0.010 0.000 2.137 120 D HA -0.014 4.626 4.640 -0.000 0.000 0.202 120 D C 1.995 178.298 176.300 0.005 0.000 0.970 120 D CA 0.309 54.319 54.000 0.016 0.000 0.837 120 D CB -0.275 40.547 40.800 0.038 0.000 0.981 120 D HN 0.207 nan 8.370 nan 0.000 0.475 121 L N 0.389 121.602 121.223 -0.017 0.000 2.201 121 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 121 L C 2.323 179.154 176.870 -0.064 0.000 1.105 121 L CA 0.908 55.724 54.840 -0.040 0.000 0.775 121 L CB 0.113 42.142 42.059 -0.049 0.000 0.913 121 L HN -0.071 nan 8.230 nan 0.000 0.440 122 R N -0.064 120.403 120.500 -0.055 0.000 2.075 122 R HA -0.092 4.248 4.340 -0.000 0.000 0.226 122 R C 1.335 177.606 176.300 -0.048 0.000 1.114 122 R CA 1.703 57.770 56.100 -0.056 0.000 0.972 122 R CB -0.160 30.110 30.300 -0.050 0.000 0.869 122 R HN 0.411 nan 8.270 nan 0.000 0.437 123 N N -0.603 118.077 118.700 -0.032 0.000 2.434 123 N HA 0.025 4.765 4.740 -0.000 0.000 0.196 123 N C -0.031 175.463 175.510 -0.027 0.000 1.183 123 N CA -0.115 52.922 53.050 -0.023 0.000 0.849 123 N CB 1.088 39.572 38.487 -0.005 0.000 0.992 123 N HN 0.032 nan 8.380 nan 0.000 0.460 124 V N -0.244 119.640 119.914 -0.051 0.000 3.309 124 V HA -0.069 4.051 4.120 -0.000 0.000 0.268 124 V C 1.681 177.690 176.094 -0.141 0.000 1.631 124 V CA -0.089 62.163 62.300 -0.081 0.000 1.018 124 V CB 0.335 32.125 31.823 -0.054 0.000 0.841 124 V HN 0.243 nan 8.190 nan 0.000 0.418 125 K N 1.856 122.174 120.400 -0.136 0.000 2.228 125 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 125 K C 0.655 177.134 176.600 -0.200 0.000 1.045 125 K CA 1.568 57.743 56.287 -0.187 0.000 0.931 125 K CB -0.086 32.322 32.500 -0.153 0.000 0.727 125 K HN 0.370 nan 8.250 nan 0.000 0.458 126 K N 0.541 120.856 120.400 -0.142 0.000 3.306 126 K HA 0.185 4.505 4.320 -0.000 0.000 0.169 126 K C -1.510 175.044 176.600 -0.077 0.000 1.110 126 K CA -0.295 55.923 56.287 -0.114 0.000 0.783 126 K CB 1.006 33.445 32.500 -0.102 0.000 0.958 126 K HN -0.031 nan 8.250 nan 0.000 0.581 127 L N 0.550 121.726 121.223 -0.077 0.000 2.679 127 L HA 0.432 4.772 4.340 -0.000 0.000 0.238 127 L C 0.481 177.327 176.870 -0.041 0.000 1.330 127 L CA 0.177 54.987 54.840 -0.050 0.000 0.935 127 L CB 0.714 42.748 42.059 -0.043 0.000 1.243 127 L HN 0.399 nan 8.230 nan 0.000 0.484 128 G N -0.323 108.461 108.800 -0.027 0.000 3.079 128 G HA2 0.138 4.098 3.960 -0.000 0.000 0.233 128 G HA3 0.138 4.098 3.960 -0.000 0.000 0.233 128 G C 1.014 175.899 174.900 -0.025 0.000 1.062 128 G CA 0.395 45.483 45.100 -0.019 0.000 0.809 128 G HN 0.601 nan 8.290 nan 0.000 0.535 129 G N 1.433 110.222 108.800 -0.019 0.000 2.511 129 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.217 129 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.217 129 G C 1.265 176.156 174.900 -0.015 0.000 1.133 129 G CA 1.254 46.343 45.100 -0.018 0.000 0.792 129 G HN 0.454 nan 8.290 nan 0.000 0.539 130 D N 0.109 120.502 120.400 -0.012 0.000 2.349 130 D HA 0.061 4.701 4.640 -0.000 0.000 0.214 130 D C 2.096 178.397 176.300 0.002 0.000 1.063 130 D CA -0.157 53.840 54.000 -0.003 0.000 0.847 130 D CB -0.202 40.598 40.800 0.001 0.000 0.933 130 D HN 0.353 nan 8.370 nan 0.000 0.513 131 L N -0.449 120.770 121.223 -0.006 0.000 2.102 131 L HA 0.009 4.349 4.340 -0.000 0.000 0.202 131 L C 2.085 178.953 176.870 -0.005 0.000 1.076 131 L CA 0.390 55.230 54.840 -0.001 0.000 0.761 131 L CB -0.259 41.787 42.059 -0.022 0.000 0.921 131 L HN -0.017 nan 8.230 nan 0.000 0.444 132 L N -0.184 121.024 121.223 -0.025 0.000 2.201 132 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 132 L C 2.628 179.492 176.870 -0.010 0.000 1.105 132 L CA 1.421 56.247 54.840 -0.023 0.000 0.775 132 L CB -0.693 41.344 42.059 -0.035 0.000 0.913 132 L HN 0.161 nan 8.230 nan 0.000 0.440 133 R N -0.286 120.210 120.500 -0.007 0.000 2.090 133 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 133 R C 2.054 178.355 176.300 0.002 0.000 1.110 133 R CA 1.172 57.269 56.100 -0.004 0.000 0.973 133 R CB -0.116 30.182 30.300 -0.003 0.000 0.869 133 R HN 0.322 nan 8.270 nan 0.000 0.440 134 A N 0.434 123.261 122.820 0.012 0.000 2.169 134 A HA -0.017 4.303 4.320 -0.000 0.000 0.212 134 A C 1.698 179.298 177.584 0.026 0.000 1.153 134 A CA 0.418 52.469 52.037 0.025 0.000 0.756 134 A CB -0.047 18.980 19.000 0.044 0.000 0.813 134 A HN 0.371 nan 8.150 nan 0.000 0.471 135 L N -0.862 120.372 121.223 0.019 0.000 2.513 135 L HA 0.208 4.548 4.340 -0.000 0.000 0.222 135 L C 1.546 178.412 176.870 -0.008 0.000 1.096 135 L CA 1.287 56.138 54.840 0.019 0.000 0.857 135 L CB -0.482 41.592 42.059 0.026 0.000 1.026 135 L HN 0.312 nan 8.230 nan 0.000 0.469 136 N N 0.392 119.085 118.700 -0.011 0.000 2.120 136 N HA -0.210 4.530 4.740 -0.000 0.000 0.188 136 N C 1.530 177.022 175.510 -0.030 0.000 1.024 136 N CA 1.776 54.815 53.050 -0.018 0.000 0.852 136 N CB 0.147 38.625 38.487 -0.014 0.000 1.003 136 N HN 0.458 nan 8.380 nan 0.000 0.424 137 E N 0.330 120.509 120.200 -0.036 0.000 2.005 137 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 137 E C 1.986 178.544 176.600 -0.070 0.000 1.010 137 E CA 1.458 57.830 56.400 -0.048 0.000 0.825 137 E CB -0.285 29.386 29.700 -0.048 0.000 0.769 137 E HN 0.312 nan 8.360 nan 0.000 0.456 138 I N 0.458 120.964 120.570 -0.107 0.000 2.201 138 I HA -0.048 4.121 4.170 -0.000 0.000 0.233 138 I C 1.125 177.174 176.117 -0.114 0.000 1.067 138 I CA 0.985 62.196 61.300 -0.148 0.000 1.354 138 I CB -1.705 36.127 38.000 -0.280 0.000 1.108 138 I HN 0.049 nan 8.210 nan 0.000 0.411 139 T N 2.097 116.592 114.554 -0.099 0.000 2.874 139 T HA 0.271 4.621 4.350 -0.000 0.000 0.281 139 T C 0.684 175.372 174.700 -0.021 0.000 0.994 139 T CA -0.607 61.469 62.100 -0.041 0.000 1.015 139 T CB 1.738 70.614 68.868 0.014 0.000 1.028 139 T HN 0.371 nan 8.240 nan 0.000 0.523 140 E N 0.315 120.514 120.200 -0.003 0.000 3.432 140 E HA 0.283 4.633 4.350 -0.000 0.000 0.385 140 E C 0.028 176.633 176.600 0.009 0.000 0.439 140 E CA -0.751 55.648 56.400 -0.001 0.000 2.317 140 E CB -0.161 29.538 29.700 -0.000 0.000 2.175 140 E HN 0.496 nan 8.360 nan 0.000 0.450 141 S N 0.651 116.358 115.700 0.011 0.000 2.671 141 S HA 0.276 4.746 4.470 -0.000 0.000 0.331 141 S C 0.422 175.035 174.600 0.020 0.000 1.182 141 S CA -0.452 57.755 58.200 0.010 0.000 1.276 141 S CB -0.266 62.940 63.200 0.010 0.000 1.360 141 S HN 0.589 nan 8.310 nan 0.000 0.563 142 G N 2.634 111.444 108.800 0.016 0.000 2.574 142 G HA2 0.656 4.616 3.960 -0.000 0.000 0.248 142 G HA3 0.656 4.616 3.960 -0.000 0.000 0.248 142 G C -0.225 174.673 174.900 -0.003 0.000 1.422 142 G CA -1.008 44.107 45.100 0.026 0.000 1.051 142 G HN 0.599 nan 8.290 nan 0.000 0.560 143 R N -1.499 118.992 120.500 -0.014 0.000 2.771 143 R HA 0.602 4.942 4.340 -0.000 0.000 0.274 143 R C -1.662 174.563 176.300 -0.125 0.000 0.987 143 R CA -0.711 55.351 56.100 -0.063 0.000 0.908 143 R CB 1.777 32.049 30.300 -0.046 0.000 1.213 143 R HN 0.344 nan 8.270 nan 0.000 0.468 144 I N 0.058 120.486 120.570 -0.237 0.000 2.534 144 I HA 0.550 4.720 4.170 -0.000 0.000 0.288 144 I C 0.205 176.047 176.117 -0.458 0.000 1.077 144 I CA -0.280 60.748 61.300 -0.453 0.000 1.051 144 I CB 2.379 39.896 38.000 -0.804 0.000 1.234 144 I HN 0.706 nan 8.210 nan 0.000 0.425 145 G N 4.120 112.790 108.800 -0.216 0.000 2.642 145 G HA2 0.772 4.732 3.960 -0.000 0.000 0.293 145 G HA3 0.772 4.732 3.960 -0.000 0.000 0.293 145 G C -2.087 172.851 174.900 0.063 0.000 1.341 145 G CA -0.589 44.569 45.100 0.097 0.000 0.916 145 G HN 0.326 nan 8.290 nan 0.000 0.474 146 F N 0.099 119.855 119.950 -0.323 0.000 2.588 146 F HA 0.763 5.289 4.527 -0.000 0.000 0.310 146 F C -0.033 175.366 175.800 -0.667 0.000 1.082 146 F CA -0.518 57.175 58.000 -0.512 0.000 0.929 146 F CB 2.588 41.384 39.000 -0.340 0.000 1.254 146 F HN 0.801 nan 8.300 nan 0.000 0.455 147 G N 2.765 110.829 108.800 -1.227 0.000 2.741 147 G HA2 0.464 4.424 3.960 -0.000 0.000 0.293 147 G HA3 0.464 4.424 3.960 -0.000 0.000 0.293 147 G C -1.850 172.748 174.900 -0.502 0.000 1.457 147 G CA -0.647 44.238 45.100 -0.358 0.000 1.098 147 G HN 0.766 nan 8.290 nan 0.000 0.536 148 S N 0.679 116.244 115.700 -0.225 0.000 2.687 148 S HA 0.933 5.403 4.470 -0.000 0.000 0.283 148 S C -0.671 174.191 174.600 0.436 0.000 1.170 148 S CA -0.575 57.672 58.200 0.080 0.000 1.008 148 S CB 0.673 64.070 63.200 0.328 0.000 1.026 148 S HN 1.414 nan 8.310 nan 0.000 0.541 149 F N 0.525 120.626 119.950 0.251 0.000 2.725 149 F HA 0.650 5.177 4.527 -0.000 0.000 0.309 149 F C -0.841 174.847 175.800 -0.187 0.000 1.132 149 F CA -0.956 57.095 58.000 0.086 0.000 0.957 149 F CB 0.282 39.378 39.000 0.160 0.000 1.286 149 F HN 0.316 nan 8.300 nan 0.000 0.440 150 V N -0.386 119.413 119.914 -0.190 0.000 4.197 150 V HA 0.501 4.621 4.120 -0.000 0.000 0.176 150 V C -1.046 175.071 176.094 0.037 0.000 1.208 150 V CA 0.669 62.827 62.300 -0.237 0.000 1.306 150 V CB 0.676 32.143 31.823 -0.593 0.000 1.585 150 V HN 0.896 nan 8.190 nan 0.000 0.552 151 D N -1.021 119.343 120.400 -0.059 0.000 2.798 151 D HA 0.196 4.836 4.640 -0.000 0.000 0.265 151 D C -1.146 175.100 176.300 -0.090 0.000 1.223 151 D CA -0.600 53.407 54.000 0.011 0.000 0.743 151 D CB 1.690 42.559 40.800 0.115 0.000 1.276 151 D HN 0.157 nan 8.370 nan 0.000 0.421 152 K N 0.220 120.500 120.400 -0.200 0.000 2.559 152 K HA 0.004 4.324 4.320 -0.000 0.000 0.279 152 K C 0.738 177.328 176.600 -0.017 0.000 0.967 152 K CA 0.737 56.889 56.287 -0.224 0.000 1.000 152 K CB 0.435 32.631 32.500 -0.507 0.000 0.890 152 K HN 0.399 nan 8.250 nan 0.000 0.501 153 T N 1.740 116.354 114.554 0.099 0.000 2.737 153 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 153 T C 0.881 175.639 174.700 0.096 0.000 1.038 153 T CA 0.735 62.922 62.100 0.144 0.000 1.144 153 T CB -0.003 68.974 68.868 0.183 0.000 0.866 153 T HN 0.450 nan 8.240 nan 0.000 0.434 154 V N 3.248 123.215 119.914 0.088 0.000 2.953 154 V HA 0.425 4.545 4.120 -0.000 0.000 0.304 154 V C 0.218 176.418 176.094 0.177 0.000 1.073 154 V CA -1.197 61.163 62.300 0.100 0.000 1.064 154 V CB 0.411 32.291 31.823 0.093 0.000 1.047 154 V HN 0.391 nan 8.190 nan 0.000 0.478 155 L N 4.235 125.554 121.223 0.159 0.000 2.456 155 L HA 0.459 4.799 4.340 -0.000 0.000 0.246 155 L C -1.931 175.091 176.870 0.254 0.000 1.238 155 L CA -0.662 54.285 54.840 0.179 0.000 0.826 155 L CB -1.321 40.794 42.059 0.093 0.000 1.150 155 L HN 0.375 nan 8.230 nan 0.000 0.514 156 P HA 0.090 nan 4.420 nan 0.000 0.253 156 P C 0.546 177.784 177.300 -0.105 0.000 1.281 156 P CA 0.718 63.796 63.100 -0.036 0.000 0.792 156 P CB -0.176 31.433 31.700 -0.153 0.000 1.193 157 F N -0.960 118.968 119.950 -0.037 0.000 2.456 157 F HA 0.096 4.623 4.527 -0.000 0.000 0.298 157 F C 1.287 177.075 175.800 -0.020 0.000 1.104 157 F CA 0.615 58.578 58.000 -0.062 0.000 1.435 157 F CB 0.114 39.065 39.000 -0.082 0.000 1.078 157 F HN -0.191 nan 8.300 nan 0.000 0.546 158 V N 0.502 120.522 119.914 0.176 0.000 2.966 158 V HA 0.260 4.380 4.120 -0.000 0.000 0.288 158 V C -1.568 174.572 176.094 0.077 0.000 1.380 158 V CA -1.462 60.900 62.300 0.102 0.000 0.966 158 V CB 1.325 33.208 31.823 0.100 0.000 1.115 158 V HN 0.281 nan 8.190 nan 0.000 0.436 159 N N 3.430 122.162 118.700 0.053 0.000 2.301 159 N HA 0.002 4.742 4.740 -0.000 0.000 0.267 159 N C 0.946 176.473 175.510 0.029 0.000 1.304 159 N CA 0.795 53.872 53.050 0.045 0.000 0.851 159 N CB 0.939 39.450 38.487 0.041 0.000 1.070 159 N HN 0.902 nan 8.380 nan 0.000 0.483 160 T N -1.273 113.291 114.554 0.016 0.000 3.014 160 T HA 0.015 4.365 4.350 -0.000 0.000 0.263 160 T C 0.036 174.586 174.700 -0.251 0.000 1.078 160 T CA 0.761 62.811 62.100 -0.084 0.000 1.135 160 T CB -0.399 68.435 68.868 -0.055 0.000 0.895 160 T HN 0.696 nan 8.240 nan 0.000 0.480 161 H N 0.562 119.658 119.070 0.043 0.000 2.895 161 H HA 0.516 5.071 4.556 -0.000 0.000 0.373 161 H C -1.882 173.463 175.328 0.029 0.000 1.174 161 H CA -1.641 54.428 56.048 0.035 0.000 1.144 161 H CB 2.436 32.217 29.762 0.030 0.000 1.793 161 H HN 0.017 nan 8.280 nan 0.000 0.551 162 P HA 0.053 nan 4.420 nan 0.000 0.219 162 P C 0.334 177.710 177.300 0.125 0.000 1.149 162 P CA 0.228 63.461 63.100 0.222 0.000 0.755 162 P CB 0.547 32.336 31.700 0.149 0.000 1.201 163 D N -0.388 120.067 120.400 0.091 0.000 2.340 163 D HA -0.054 4.586 4.640 -0.000 0.000 0.220 163 D C 1.517 177.847 176.300 0.050 0.000 1.039 163 D CA 0.303 54.342 54.000 0.066 0.000 0.866 163 D CB -0.239 40.594 40.800 0.056 0.000 0.913 163 D HN 0.242 nan 8.370 nan 0.000 0.523 164 K N 0.088 120.516 120.400 0.048 0.000 2.362 164 K HA -0.075 4.245 4.320 -0.000 0.000 0.200 164 K C 1.830 178.455 176.600 0.043 0.000 1.046 164 K CA 0.326 56.637 56.287 0.040 0.000 0.952 164 K CB -0.143 32.377 32.500 0.034 0.000 0.753 164 K HN 0.109 nan 8.250 nan 0.000 0.466 165 L N 1.245 122.494 121.223 0.043 0.000 2.056 165 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 165 L C 1.897 178.794 176.870 0.046 0.000 1.078 165 L CA 1.554 56.415 54.840 0.035 0.000 0.749 165 L CB -0.200 41.858 42.059 -0.001 0.000 0.901 165 L HN 0.080 nan 8.230 nan 0.000 0.433 166 R N -0.598 119.929 120.500 0.045 0.000 2.235 166 R HA -0.009 4.331 4.340 -0.000 0.000 0.213 166 R C 0.232 176.561 176.300 0.047 0.000 1.059 166 R CA 0.832 56.959 56.100 0.045 0.000 0.997 166 R CB -0.220 30.104 30.300 0.041 0.000 0.884 166 R HN 0.301 nan 8.270 nan 0.000 0.462 167 N N -0.448 118.281 118.700 0.048 0.000 2.716 167 N HA 0.141 4.881 4.740 -0.000 0.000 0.245 167 N C -2.471 173.068 175.510 0.048 0.000 1.495 167 N CA -1.666 51.413 53.050 0.048 0.000 0.759 167 N CB 1.252 39.762 38.487 0.039 0.000 1.261 167 N HN -0.216 nan 8.380 nan 0.000 0.515 168 P HA 0.086 nan 4.420 nan 0.000 0.221 168 P C 0.127 177.452 177.300 0.042 0.000 1.150 168 P CA 0.334 63.467 63.100 0.055 0.000 0.800 168 P CB 0.134 31.882 31.700 0.080 0.000 0.787 169 c N 2.458 121.101 118.600 0.071 0.000 2.409 169 c HA 0.015 4.585 4.570 -0.000 0.000 0.398 169 c C -1.907 172.162 174.090 -0.036 0.000 1.507 169 c CA -0.475 55.904 56.329 0.084 0.000 1.460 169 c CB -1.153 41.443 42.510 0.143 0.000 2.472 169 c HN 0.231 nan 8.230 nan 0.000 0.614 170 P HA 0.174 nan 4.420 nan 0.000 0.274 170 P C 0.502 177.661 177.300 -0.235 0.000 1.291 170 P CA 0.882 63.806 63.100 -0.292 0.000 0.815 170 P CB 0.447 31.843 31.700 -0.507 0.000 0.897 171 N N 3.497 122.139 118.700 -0.096 0.000 2.366 171 N HA -0.228 4.512 4.740 -0.000 0.000 0.211 171 N C 0.847 176.363 175.510 0.010 0.000 1.174 171 N CA 2.312 55.336 53.050 -0.043 0.000 2.731 171 N CB -1.276 37.178 38.487 -0.055 0.000 0.831 171 N HN 0.275 nan 8.380 nan 0.000 0.452 172 K N 0.631 121.061 120.400 0.051 0.000 2.128 172 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 172 K C -0.257 176.393 176.600 0.083 0.000 1.050 172 K CA 0.784 57.130 56.287 0.099 0.000 0.966 172 K CB 0.003 32.617 32.500 0.191 0.000 0.759 172 K HN 0.409 nan 8.250 nan 0.000 0.454 173 E N 1.225 121.482 120.200 0.095 0.000 2.210 173 E HA -0.201 4.149 4.350 -0.000 0.000 0.201 173 E C -0.526 176.115 176.600 0.067 0.000 1.339 173 E CA 0.510 56.955 56.400 0.075 0.000 0.699 173 E CB -1.203 28.524 29.700 0.045 0.000 1.126 173 E HN 0.429 nan 8.360 nan 0.000 0.355 174 K N 0.767 121.216 120.400 0.082 0.000 3.100 174 K HA 0.193 4.513 4.320 -0.000 0.000 0.256 174 K C 0.093 176.715 176.600 0.037 0.000 1.146 174 K CA -0.092 56.225 56.287 0.050 0.000 1.233 174 K CB 0.471 32.996 32.500 0.043 0.000 1.226 174 K HN 0.141 nan 8.250 nan 0.000 0.442 175 E N 0.213 120.437 120.200 0.039 0.000 2.340 175 E HA -0.209 4.141 4.350 -0.000 0.000 0.240 175 E C -0.381 176.238 176.600 0.031 0.000 1.154 175 E CA 0.553 56.970 56.400 0.028 0.000 0.717 175 E CB -2.331 27.376 29.700 0.012 0.000 1.250 175 E HN 0.746 nan 8.360 nan 0.000 0.386 176 c N 0.338 118.971 118.600 0.056 0.000 2.657 176 c HA 0.511 5.081 4.570 -0.000 0.000 0.404 176 c C 1.219 175.348 174.090 0.065 0.000 1.291 176 c CA -0.085 56.285 56.329 0.069 0.000 2.218 176 c CB 0.518 43.097 42.510 0.116 0.000 2.687 176 c HN 0.577 nan 8.230 nan 0.000 0.634 177 Q N 2.288 122.125 119.800 0.060 0.000 2.454 177 Q HA 0.449 4.789 4.340 -0.000 0.000 0.247 177 Q C -2.491 173.577 176.000 0.112 0.000 1.028 177 Q CA -1.039 54.789 55.803 0.042 0.000 0.910 177 Q CB -0.349 28.365 28.738 -0.041 0.000 1.276 177 Q HN 0.562 nan 8.270 nan 0.000 0.489 178 P HA 0.092 nan 4.420 nan 0.000 0.267 178 P C -2.444 175.020 177.300 0.272 0.000 1.200 178 P CA -0.937 62.245 63.100 0.137 0.000 0.772 178 P CB -0.365 31.387 31.700 0.088 0.000 0.855 179 P HA 0.004 nan 4.420 nan 0.000 0.261 179 P C -0.684 176.845 177.300 0.381 0.000 1.183 179 P CA 0.823 64.079 63.100 0.259 0.000 0.761 179 P CB -0.185 31.602 31.700 0.145 0.000 0.785 180 F N 1.352 121.416 119.950 0.191 0.000 3.117 180 F HA 0.896 5.423 4.527 -0.000 0.000 0.345 180 F C 0.563 176.523 175.800 0.267 0.000 1.278 180 F CA -0.812 57.393 58.000 0.341 0.000 1.035 180 F CB 0.391 39.581 39.000 0.316 0.000 1.531 180 F HN 0.184 nan 8.300 nan 0.000 0.515 181 A N -0.771 122.130 122.820 0.135 0.000 1.792 181 A HA 0.446 4.766 4.320 -0.000 0.000 0.189 181 A C -0.952 176.656 177.584 0.040 0.000 1.926 181 A CA 0.267 52.099 52.037 -0.343 0.000 1.493 181 A CB 0.222 18.655 19.000 -0.946 0.000 1.554 181 A HN 0.898 nan 8.150 nan 0.000 0.340 182 F N 0.563 120.598 119.950 0.141 0.000 2.839 182 F HA 0.608 5.135 4.527 -0.000 0.000 0.344 182 F C -0.946 175.153 175.800 0.500 0.000 1.242 182 F CA -0.423 57.778 58.000 0.335 0.000 1.091 182 F CB 1.175 40.245 39.000 0.117 0.000 1.374 182 F HN 0.076 nan 8.300 nan 0.000 0.553 183 R N 4.238 124.673 120.500 -0.109 0.000 2.422 183 R HA 0.256 4.596 4.340 -0.000 0.000 0.307 183 R C -1.292 174.789 176.300 -0.365 0.000 1.004 183 R CA -0.864 55.113 56.100 -0.204 0.000 0.882 183 R CB 0.490 30.681 30.300 -0.181 0.000 1.164 183 R HN 0.794 nan 8.270 nan 0.000 0.489 184 H N 4.125 122.889 119.070 -0.510 0.000 3.362 184 H HA 0.048 4.604 4.556 -0.000 0.000 0.248 184 H C 0.671 175.959 175.328 -0.067 0.000 1.276 184 H CA 0.108 56.013 56.048 -0.240 0.000 1.520 184 H CB 0.352 30.076 29.762 -0.064 0.000 1.624 184 H HN 0.414 nan 8.280 nan 0.000 0.502 185 V N 4.646 124.423 119.914 -0.228 0.000 2.407 185 V HA -0.066 4.054 4.120 -0.000 0.000 0.245 185 V C 0.926 176.854 176.094 -0.277 0.000 1.041 185 V CA 1.017 63.211 62.300 -0.177 0.000 1.040 185 V CB -0.201 31.580 31.823 -0.070 0.000 0.671 185 V HN 0.539 nan 8.190 nan 0.000 0.455 186 L N 0.149 121.137 121.223 -0.391 0.000 2.385 186 L HA 0.452 4.792 4.340 -0.000 0.000 0.273 186 L C -0.267 176.452 176.870 -0.253 0.000 0.990 186 L CA -0.285 54.390 54.840 -0.275 0.000 0.821 186 L CB 2.261 44.136 42.059 -0.307 0.000 1.279 186 L HN 0.025 nan 8.230 nan 0.000 0.412 187 K N 2.461 122.875 120.400 0.023 0.000 2.090 187 K HA 0.520 4.840 4.320 -0.000 0.000 0.250 187 K C -0.580 176.101 176.600 0.134 0.000 1.004 187 K CA -0.706 55.720 56.287 0.231 0.000 0.919 187 K CB 0.903 33.550 32.500 0.247 0.000 1.045 187 K HN 0.495 nan 8.250 nan 0.000 0.471 188 L N 3.520 124.772 121.223 0.048 0.000 2.597 188 L HA 0.076 4.416 4.340 -0.000 0.000 0.271 188 L C 0.257 177.117 176.870 -0.017 0.000 1.157 188 L CA 0.024 54.835 54.840 -0.048 0.000 0.928 188 L CB -0.378 41.572 42.059 -0.181 0.000 1.216 188 L HN 0.775 nan 8.230 nan 0.000 0.481 189 T N -1.660 112.882 114.554 -0.020 0.000 2.901 189 T HA 0.370 4.720 4.350 -0.000 0.000 0.293 189 T C 0.639 175.315 174.700 -0.040 0.000 1.084 189 T CA -0.971 61.126 62.100 -0.005 0.000 1.008 189 T CB 1.883 70.777 68.868 0.043 0.000 1.170 189 T HN 0.293 nan 8.240 nan 0.000 0.509 190 N N 1.396 120.083 118.700 -0.022 0.000 2.173 190 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 190 N C 0.644 176.133 175.510 -0.035 0.000 1.025 190 N CA 0.839 53.872 53.050 -0.029 0.000 0.852 190 N CB -0.838 37.642 38.487 -0.012 0.000 0.998 190 N HN 0.845 nan 8.380 nan 0.000 0.427 191 N N 0.651 119.343 118.700 -0.013 0.000 2.305 191 N HA -0.061 4.679 4.740 -0.000 0.000 0.232 191 N C 0.777 176.279 175.510 -0.012 0.000 1.274 191 N CA 0.598 53.645 53.050 -0.004 0.000 0.870 191 N CB 0.366 38.862 38.487 0.015 0.000 1.105 191 N HN 0.169 nan 8.380 nan 0.000 0.436 192 S N -0.931 114.767 115.700 -0.003 0.000 2.830 192 S HA -0.023 4.447 4.470 -0.000 0.000 0.249 192 S C 1.248 175.878 174.600 0.051 0.000 1.084 192 S CA 0.013 58.211 58.200 -0.002 0.000 0.852 192 S CB -0.479 62.701 63.200 -0.033 0.000 0.802 192 S HN 0.692 nan 8.310 nan 0.000 0.481 193 N N 2.223 120.936 118.700 0.022 0.000 2.270 193 N HA -0.132 4.608 4.740 -0.000 0.000 0.181 193 N C 1.716 177.231 175.510 0.008 0.000 1.016 193 N CA 1.618 54.673 53.050 0.009 0.000 0.870 193 N CB -0.730 37.752 38.487 -0.008 0.000 0.979 193 N HN 0.499 nan 8.380 nan 0.000 0.431 194 Q N 0.069 119.882 119.800 0.022 0.000 2.224 194 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 194 Q C 1.673 177.675 176.000 0.004 0.000 0.970 194 Q CA 0.907 56.712 55.803 0.004 0.000 0.865 194 Q CB -0.587 28.160 28.738 0.013 0.000 0.922 194 Q HN 0.422 nan 8.270 nan 0.000 0.445 195 F N 0.464 120.352 119.950 -0.103 0.000 2.128 195 F HA -0.110 4.417 4.527 -0.000 0.000 0.295 195 F C 1.982 177.673 175.800 -0.182 0.000 1.100 195 F CA 1.654 59.574 58.000 -0.134 0.000 1.260 195 F CB -0.052 38.878 39.000 -0.116 0.000 1.009 195 F HN 0.145 nan 8.300 nan 0.000 0.476 196 Q N -0.561 119.235 119.800 -0.007 0.000 2.050 196 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 196 Q C 2.220 178.089 176.000 -0.219 0.000 0.980 196 Q CA 2.462 58.191 55.803 -0.123 0.000 0.840 196 Q CB -0.686 28.020 28.738 -0.053 0.000 0.898 196 Q HN 0.547 nan 8.270 nan 0.000 0.424 197 T N -1.019 113.437 114.554 -0.164 0.000 2.915 197 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 197 T C 1.564 176.135 174.700 -0.214 0.000 1.071 197 T CA 0.811 62.815 62.100 -0.161 0.000 1.132 197 T CB 0.013 68.816 68.868 -0.109 0.000 0.878 197 T HN 0.073 nan 8.240 nan 0.000 0.479 198 E N 0.553 120.588 120.200 -0.275 0.000 2.427 198 E HA 0.091 4.441 4.350 -0.000 0.000 0.196 198 E C 2.066 178.414 176.600 -0.420 0.000 1.028 198 E CA 0.203 56.416 56.400 -0.311 0.000 0.864 198 E CB 0.138 29.648 29.700 -0.318 0.000 0.813 198 E HN 0.464 nan 8.360 nan 0.000 0.514 199 V N -0.151 119.454 119.914 -0.515 0.000 2.403 199 V HA -0.026 4.093 4.120 -0.000 0.000 0.239 199 V C 2.353 178.195 176.094 -0.419 0.000 1.041 199 V CA 1.582 63.496 62.300 -0.642 0.000 1.051 199 V CB -0.814 30.513 31.823 -0.826 0.000 0.704 199 V HN 0.273 nan 8.190 nan 0.000 0.472 200 G N 0.385 108.994 108.800 -0.319 0.000 2.507 200 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.221 200 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.221 200 G C 1.538 176.327 174.900 -0.185 0.000 1.119 200 G CA 1.553 46.521 45.100 -0.220 0.000 0.751 200 G HN 0.522 nan 8.290 nan 0.000 0.574 201 K N 0.365 120.648 120.400 -0.196 0.000 2.001 201 K HA -0.192 4.128 4.320 -0.000 0.000 0.223 201 K C 1.075 177.588 176.600 -0.144 0.000 1.055 201 K CA 1.221 57.413 56.287 -0.158 0.000 0.965 201 K CB -0.331 32.068 32.500 -0.169 0.000 0.730 201 K HN 0.420 nan 8.250 nan 0.000 0.449 202 Q N 1.079 120.778 119.800 -0.168 0.000 2.337 202 Q HA 0.166 4.506 4.340 -0.000 0.000 0.270 202 Q C -0.240 175.698 176.000 -0.104 0.000 1.002 202 Q CA -0.156 55.562 55.803 -0.141 0.000 0.888 202 Q CB 0.951 29.590 28.738 -0.166 0.000 1.222 202 Q HN 0.288 nan 8.270 nan 0.000 0.400 203 L N 2.196 123.380 121.223 -0.065 0.000 2.347 203 L HA 0.506 4.846 4.340 -0.000 0.000 0.268 203 L C 0.639 177.524 176.870 0.026 0.000 1.019 203 L CA -1.051 53.771 54.840 -0.030 0.000 0.806 203 L CB 0.710 42.757 42.059 -0.021 0.000 1.339 203 L HN 0.629 nan 8.230 nan 0.000 0.463 204 I N -2.574 118.021 120.570 0.043 0.000 3.363 204 I HA 0.261 4.431 4.170 -0.000 0.000 0.234 204 I C 0.567 176.793 176.117 0.183 0.000 1.263 204 I CA 0.081 61.446 61.300 0.107 0.000 0.921 204 I CB 0.642 38.670 38.000 0.047 0.000 1.614 204 I HN 0.575 nan 8.210 nan 0.000 0.879 205 S N -0.992 114.838 115.700 0.217 0.000 4.297 205 S HA 0.855 5.325 4.470 -0.000 0.000 0.226 205 S C -0.420 174.287 174.600 0.178 0.000 1.134 205 S CA -0.174 58.162 58.200 0.227 0.000 1.591 205 S CB 0.766 64.163 63.200 0.329 0.000 1.393 205 S HN 1.413 nan 8.310 nan 0.000 0.727 206 G N 1.326 110.202 108.800 0.126 0.000 2.361 206 G HA2 0.436 4.396 3.960 -0.000 0.000 0.299 206 G HA3 0.436 4.396 3.960 -0.000 0.000 0.299 206 G C -2.022 172.921 174.900 0.071 0.000 1.544 206 G CA -0.137 45.025 45.100 0.103 0.000 0.860 206 G HN 1.084 nan 8.290 nan 0.000 0.610 207 N N -1.014 117.727 118.700 0.067 0.000 2.972 207 N HA 0.625 5.365 4.740 -0.000 0.000 0.262 207 N C 0.390 175.937 175.510 0.061 0.000 1.478 207 N CA -0.956 52.136 53.050 0.070 0.000 0.841 207 N CB 0.860 39.398 38.487 0.085 0.000 1.512 207 N HN 0.386 nan 8.380 nan 0.000 0.548 208 L N -0.748 120.511 121.223 0.060 0.000 2.121 208 L HA 0.147 4.487 4.340 -0.000 0.000 0.200 208 L C 0.101 176.987 176.870 0.027 0.000 1.132 208 L CA 0.425 55.285 54.840 0.032 0.000 0.782 208 L CB -0.660 41.409 42.059 0.017 0.000 0.940 208 L HN 0.759 nan 8.230 nan 0.000 0.458 209 D N 0.967 121.370 120.400 0.006 0.000 2.548 209 D HA -0.081 4.559 4.640 -0.000 0.000 0.231 209 D C 0.738 177.082 176.300 0.073 0.000 1.142 209 D CA 0.693 54.690 54.000 -0.005 0.000 0.866 209 D CB 1.229 41.967 40.800 -0.103 0.000 1.190 209 D HN 0.282 nan 8.370 nan 0.000 0.469 210 A N 3.147 126.006 122.820 0.064 0.000 1.832 210 A HA 0.066 4.386 4.320 -0.000 0.000 0.214 210 A C -1.326 176.342 177.584 0.141 0.000 1.200 210 A CA 0.662 52.748 52.037 0.081 0.000 0.610 210 A CB -1.581 17.444 19.000 0.042 0.000 0.842 210 A HN 0.579 nan 8.150 nan 0.000 0.444 211 P HA 0.184 nan 4.420 nan 0.000 0.270 211 P C -0.105 177.438 177.300 0.404 0.000 1.223 211 P CA 0.016 63.234 63.100 0.197 0.000 0.785 211 P CB 0.401 32.044 31.700 -0.094 0.000 0.923 212 E N 0.106 120.573 120.200 0.444 0.000 2.267 212 E HA 0.405 4.755 4.350 -0.000 0.000 0.258 212 E C 0.785 177.741 176.600 0.593 0.000 1.074 212 E CA -0.572 56.116 56.400 0.480 0.000 0.915 212 E CB 0.544 30.548 29.700 0.507 0.000 1.186 212 E HN 0.521 nan 8.360 nan 0.000 0.439 213 G N -0.372 108.706 108.800 0.463 0.000 4.486 213 G HA2 0.265 4.225 3.960 -0.000 0.000 0.306 213 G HA3 0.265 4.225 3.960 -0.000 0.000 0.306 213 G C 0.847 175.960 174.900 0.355 0.000 1.331 213 G CA 0.055 45.451 45.100 0.494 0.000 1.113 213 G HN 0.462 nan 8.290 nan 0.000 0.594 214 G N 0.510 109.533 108.800 0.372 0.000 2.471 214 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 214 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 214 G C 1.579 176.462 174.900 -0.028 0.000 1.125 214 G CA 0.296 45.392 45.100 -0.007 0.000 0.775 214 G HN 0.472 nan 8.290 nan 0.000 0.548 215 L N 0.244 121.564 121.223 0.161 0.000 2.093 215 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 215 L C 2.521 179.411 176.870 0.034 0.000 1.085 215 L CA 1.198 56.106 54.840 0.112 0.000 0.755 215 L CB -0.296 41.933 42.059 0.284 0.000 0.904 215 L HN 0.148 nan 8.230 nan 0.000 0.435 216 D N 0.363 120.770 120.400 0.012 0.000 2.144 216 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 216 D C 2.111 178.281 176.300 -0.218 0.000 0.984 216 D CA 1.364 55.301 54.000 -0.106 0.000 0.834 216 D CB 0.303 40.926 40.800 -0.295 0.000 0.955 216 D HN 0.261 nan 8.370 nan 0.000 0.465 217 A N 0.508 123.181 122.820 -0.245 0.000 1.930 217 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 217 A C 2.207 179.529 177.584 -0.437 0.000 1.175 217 A CA 1.395 53.196 52.037 -0.393 0.000 0.627 217 A CB -0.415 18.493 19.000 -0.152 0.000 0.815 217 A HN 0.176 nan 8.150 nan 0.000 0.443 218 M N -0.809 118.638 119.600 -0.255 0.000 2.082 218 M HA -0.191 4.289 4.480 -0.000 0.000 0.258 218 M C 2.306 178.456 176.300 -0.251 0.000 1.071 218 M CA 1.629 56.805 55.300 -0.207 0.000 1.103 218 M CB -1.373 31.138 32.600 -0.149 0.000 1.307 218 M HN 0.339 nan 8.290 nan 0.000 0.409 219 M N 0.109 119.581 119.600 -0.213 0.000 2.065 219 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 219 M C 2.171 178.295 176.300 -0.293 0.000 1.071 219 M CA 1.793 56.973 55.300 -0.201 0.000 1.109 219 M CB -1.539 31.000 32.600 -0.103 0.000 1.313 219 M HN 0.394 nan 8.290 nan 0.000 0.408 220 Q N -0.498 119.059 119.800 -0.406 0.000 2.217 220 Q HA -0.170 4.170 4.340 -0.000 0.000 0.209 220 Q C 2.153 177.874 176.000 -0.464 0.000 0.988 220 Q CA 1.453 56.961 55.803 -0.492 0.000 0.878 220 Q CB -0.385 27.947 28.738 -0.677 0.000 0.909 220 Q HN 0.352 nan 8.270 nan 0.000 0.424 221 V N 0.720 120.327 119.914 -0.511 0.000 2.221 221 V HA -0.175 3.945 4.120 -0.000 0.000 0.242 221 V C 1.311 177.317 176.094 -0.147 0.000 1.041 221 V CA 1.658 63.816 62.300 -0.236 0.000 0.995 221 V CB -0.561 31.128 31.823 -0.224 0.000 0.635 221 V HN 0.344 nan 8.190 nan 0.000 0.448 222 A N -1.002 121.663 122.820 -0.258 0.000 3.135 222 A HA 0.671 4.991 4.320 -0.000 0.000 0.253 222 A C 0.996 178.422 177.584 -0.262 0.000 1.638 222 A CA 0.679 52.510 52.037 -0.344 0.000 1.295 222 A CB -0.315 18.419 19.000 -0.444 0.000 1.106 222 A HN 0.538 nan 8.150 nan 0.000 0.648 223 A N -0.589 122.107 122.820 -0.205 0.000 1.933 223 A HA 0.342 4.662 4.320 -0.000 0.000 0.198 223 A C 0.915 178.405 177.584 -0.156 0.000 1.617 223 A CA 1.037 52.960 52.037 -0.189 0.000 1.039 223 A CB -0.040 18.826 19.000 -0.224 0.000 1.066 223 A HN 1.458 nan 8.150 nan 0.000 0.484 224 c N -2.561 115.966 118.600 -0.122 0.000 3.452 224 c HA 0.586 5.156 4.570 -0.000 0.000 0.251 224 c C -2.627 171.458 174.090 -0.009 0.000 1.160 224 c CA -1.584 54.698 56.329 -0.079 0.000 1.328 224 c CB 0.128 42.569 42.510 -0.115 0.000 1.819 224 c HN 0.191 nan 8.230 nan 0.000 0.543 225 P HA -0.012 nan 4.420 nan 0.000 0.244 225 P C 1.246 178.595 177.300 0.080 0.000 1.211 225 P CA 1.177 64.370 63.100 0.155 0.000 0.760 225 P CB 0.014 31.884 31.700 0.283 0.000 0.961 226 E N -0.085 120.135 120.200 0.034 0.000 2.472 226 E HA -0.129 4.220 4.350 -0.000 0.000 0.200 226 E C 0.956 177.567 176.600 0.018 0.000 1.046 226 E CA 0.788 57.203 56.400 0.024 0.000 0.871 226 E CB -0.012 29.695 29.700 0.011 0.000 0.806 226 E HN 0.506 nan 8.360 nan 0.000 0.533 227 E N -1.042 119.164 120.200 0.010 0.000 2.603 227 E HA 0.161 4.511 4.350 -0.000 0.000 0.224 227 E C 1.404 177.977 176.600 -0.044 0.000 0.896 227 E CA -0.024 56.373 56.400 -0.005 0.000 1.224 227 E CB 0.744 30.441 29.700 -0.006 0.000 1.206 227 E HN 0.110 nan 8.360 nan 0.000 0.576 228 I N 0.288 120.829 120.570 -0.048 0.000 3.883 228 I HA 0.223 4.393 4.170 -0.000 0.000 0.305 228 I C 0.807 176.890 176.117 -0.057 0.000 1.247 228 I CA 0.381 61.588 61.300 -0.156 0.000 1.350 228 I CB 0.850 38.767 38.000 -0.138 0.000 1.194 228 I HN 0.098 nan 8.210 nan 0.000 0.441 229 G N 1.127 109.957 108.800 0.049 0.000 2.850 229 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.686 229 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.686 229 G C -1.365 173.514 174.900 -0.035 0.000 1.164 229 G CA -0.725 44.403 45.100 0.047 0.000 0.826 229 G HN 0.219 nan 8.290 nan 0.000 0.586 230 W N 1.296 122.614 121.300 0.029 0.000 3.372 230 W HA 0.645 5.305 4.660 -0.000 0.000 0.315 230 W C 0.169 176.704 176.519 0.026 0.000 1.223 230 W CA -1.128 56.235 57.345 0.030 0.000 1.202 230 W CB 1.632 31.090 29.460 -0.003 0.000 1.367 230 W HN 0.829 nan 8.180 nan 0.000 0.531 231 R N 1.658 122.334 120.500 0.292 0.000 2.694 231 R HA 0.082 4.422 4.340 -0.000 0.000 0.268 231 R C 0.761 177.169 176.300 0.180 0.000 1.061 231 R CA 0.437 56.651 56.100 0.188 0.000 1.133 231 R CB 0.358 30.753 30.300 0.159 0.000 1.020 231 R HN 0.420 nan 8.270 nan 0.000 0.475 232 N N 1.616 120.382 118.700 0.111 0.000 2.313 232 N HA 0.069 4.809 4.740 -0.000 0.000 0.207 232 N C -0.252 175.287 175.510 0.047 0.000 1.141 232 N CA 0.110 53.203 53.050 0.071 0.000 0.830 232 N CB 0.393 38.910 38.487 0.050 0.000 1.008 232 N HN 0.366 nan 8.380 nan 0.000 0.481 233 V N -1.868 118.089 119.914 0.070 0.000 3.949 233 V HA 0.308 4.428 4.120 -0.000 0.000 0.195 233 V C 0.560 176.685 176.094 0.052 0.000 1.114 233 V CA 0.265 62.590 62.300 0.043 0.000 1.384 233 V CB 0.107 31.980 31.823 0.083 0.000 1.685 233 V HN 0.067 nan 8.190 nan 0.000 0.492 234 T N 1.689 116.310 114.554 0.112 0.000 2.945 234 T HA 0.677 5.027 4.350 -0.000 0.000 0.286 234 T C -0.615 174.186 174.700 0.168 0.000 1.025 234 T CA -0.409 61.759 62.100 0.113 0.000 1.039 234 T CB 1.261 70.225 68.868 0.160 0.000 1.068 234 T HN 0.311 nan 8.240 nan 0.000 0.497 235 R N 1.762 122.332 120.500 0.118 0.000 2.810 235 R HA 0.347 4.687 4.340 -0.000 0.000 0.280 235 R C -1.801 174.554 176.300 0.093 0.000 1.517 235 R CA -0.710 55.517 56.100 0.212 0.000 1.063 235 R CB 0.681 30.953 30.300 -0.048 0.000 1.275 235 R HN 0.259 nan 8.270 nan 0.000 0.464 236 L N 3.314 124.632 121.223 0.160 0.000 2.307 236 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 236 L C -0.496 176.465 176.870 0.152 0.000 1.023 236 L CA -0.567 54.312 54.840 0.065 0.000 0.810 236 L CB 1.344 43.403 42.059 -0.001 0.000 1.231 236 L HN 0.346 nan 8.230 nan 0.000 0.423 237 L N 2.910 124.174 121.223 0.069 0.000 2.304 237 L HA 0.779 5.119 4.340 -0.000 0.000 0.268 237 L C -0.682 176.197 176.870 0.016 0.000 1.010 237 L CA -0.686 54.228 54.840 0.122 0.000 0.813 237 L CB 2.143 44.256 42.059 0.090 0.000 1.315 237 L HN 0.291 nan 8.230 nan 0.000 0.445 238 V N 1.297 121.227 119.914 0.027 0.000 2.577 238 V HA 0.433 4.553 4.120 -0.000 0.000 0.294 238 V C -1.344 174.704 176.094 -0.078 0.000 1.052 238 V CA -0.473 61.785 62.300 -0.070 0.000 0.891 238 V CB 1.219 32.990 31.823 -0.086 0.000 1.017 238 V HN 0.494 nan 8.190 nan 0.000 0.436 239 F N 5.909 125.726 119.950 -0.222 0.000 2.412 239 F HA 0.777 5.304 4.527 -0.000 0.000 0.348 239 F C 0.504 176.236 175.800 -0.113 0.000 1.102 239 F CA 0.508 58.424 58.000 -0.140 0.000 1.196 239 F CB 1.468 40.356 39.000 -0.186 0.000 1.144 239 F HN 0.767 nan 8.300 nan 0.000 0.541 240 A N 3.971 126.530 122.820 -0.434 0.000 2.414 240 A HA 0.622 4.942 4.320 -0.000 0.000 0.286 240 A C -0.802 176.641 177.584 -0.235 0.000 1.073 240 A CA -0.354 51.531 52.037 -0.253 0.000 0.727 240 A CB 1.346 20.174 19.000 -0.287 0.000 1.215 240 A HN 0.727 nan 8.150 nan 0.000 0.430 241 T N 1.197 115.733 114.554 -0.029 0.000 3.289 241 T HA 0.400 4.750 4.350 -0.000 0.000 0.370 241 T C -1.691 173.120 174.700 0.185 0.000 1.546 241 T CA -0.053 62.089 62.100 0.070 0.000 1.144 241 T CB 0.942 69.919 68.868 0.183 0.000 1.379 241 T HN 0.767 nan 8.240 nan 0.000 0.478 242 D N 2.818 123.306 120.400 0.147 0.000 2.889 242 D HA 0.376 5.016 4.640 -0.000 0.000 0.243 242 D C -0.115 176.293 176.300 0.179 0.000 1.270 242 D CA -0.178 53.917 54.000 0.158 0.000 0.838 242 D CB 0.132 40.998 40.800 0.110 0.000 1.040 242 D HN 0.414 nan 8.370 nan 0.000 0.480 243 D N -1.336 119.215 120.400 0.252 0.000 2.665 243 D HA 0.406 5.046 4.640 -0.000 0.000 0.287 243 D C 0.646 177.159 176.300 0.355 0.000 1.266 243 D CA -0.826 53.326 54.000 0.254 0.000 0.830 243 D CB 1.295 42.238 40.800 0.237 0.000 1.356 243 D HN 0.141 nan 8.370 nan 0.000 0.437 244 G N -0.540 108.433 108.800 0.288 0.000 2.481 244 G HA2 0.492 4.452 3.960 -0.000 0.000 0.251 244 G HA3 0.492 4.452 3.960 -0.000 0.000 0.251 244 G C -0.686 174.555 174.900 0.569 0.000 1.492 244 G CA -0.001 45.297 45.100 0.330 0.000 1.060 244 G HN 0.421 nan 8.290 nan 0.000 0.553 245 F N -2.993 117.006 119.950 0.081 0.000 2.639 245 F HA 0.544 5.071 4.527 -0.000 0.000 0.326 245 F C -1.298 174.467 175.800 -0.058 0.000 1.150 245 F CA -1.637 56.462 58.000 0.166 0.000 1.057 245 F CB 0.319 39.451 39.000 0.220 0.000 1.300 245 F HN 0.421 nan 8.300 nan 0.000 0.486 246 H N 3.470 122.502 119.070 -0.063 0.000 2.473 246 H HA 0.705 5.261 4.556 -0.000 0.000 0.327 246 H C -0.563 174.567 175.328 -0.329 0.000 1.105 246 H CA -0.278 55.473 56.048 -0.495 0.000 1.280 246 H CB 1.241 30.670 29.762 -0.556 0.000 1.450 246 H HN 0.591 nan 8.280 nan 0.000 0.492 247 F N -0.085 119.786 119.950 -0.131 0.000 2.712 247 F HA 0.790 5.317 4.527 -0.000 0.000 0.367 247 F C 0.366 176.155 175.800 -0.018 0.000 1.132 247 F CA -1.890 56.112 58.000 0.004 0.000 1.066 247 F CB 0.083 39.083 39.000 -0.001 0.000 1.416 247 F HN 0.536 nan 8.300 nan 0.000 0.515 248 A N 0.081 123.104 122.820 0.339 0.000 2.583 248 A HA 0.391 4.711 4.320 -0.000 0.000 0.231 248 A C 1.427 179.103 177.584 0.155 0.000 1.065 248 A CA 1.078 53.234 52.037 0.199 0.000 0.760 248 A CB -1.218 17.860 19.000 0.130 0.000 1.001 248 A HN 2.221 nan 8.150 nan 0.000 0.509 249 G N 0.708 109.558 108.800 0.083 0.000 2.317 249 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.227 249 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.227 249 G C 0.582 175.492 174.900 0.018 0.000 1.042 249 G CA 0.856 45.987 45.100 0.051 0.000 0.623 249 G HN 0.691 nan 8.290 nan 0.000 0.509 250 D N 1.108 121.489 120.400 -0.032 0.000 2.269 250 D HA 0.138 4.778 4.640 -0.000 0.000 0.208 250 D C 2.378 178.760 176.300 0.137 0.000 0.963 250 D CA 1.426 55.407 54.000 -0.030 0.000 0.864 250 D CB -0.812 39.905 40.800 -0.139 0.000 0.936 250 D HN 0.578 nan 8.370 nan 0.000 0.505 251 G N 0.803 109.707 108.800 0.173 0.000 2.448 251 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 251 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 251 G C 1.488 176.477 174.900 0.148 0.000 1.127 251 G CA 0.464 45.704 45.100 0.233 0.000 0.766 251 G HN 0.267 nan 8.290 nan 0.000 0.552 252 K N -0.002 120.451 120.400 0.089 0.000 2.281 252 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 252 K C 2.256 178.892 176.600 0.060 0.000 1.046 252 K CA 0.529 56.850 56.287 0.056 0.000 0.938 252 K CB -0.193 32.325 32.500 0.030 0.000 0.737 252 K HN 0.363 nan 8.250 nan 0.000 0.458 253 L N -0.684 120.586 121.223 0.078 0.000 2.093 253 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 253 L C 2.069 178.997 176.870 0.097 0.000 1.085 253 L CA 1.187 56.059 54.840 0.054 0.000 0.755 253 L CB -0.280 41.774 42.059 -0.008 0.000 0.904 253 L HN 0.254 nan 8.230 nan 0.000 0.435 254 G N -1.181 107.726 108.800 0.177 0.000 3.379 254 G HA2 0.323 4.283 3.960 -0.000 0.000 0.253 254 G HA3 0.323 4.283 3.960 -0.000 0.000 0.253 254 G C 0.947 175.912 174.900 0.108 0.000 1.262 254 G CA 0.308 45.510 45.100 0.170 0.000 0.959 254 G HN 0.405 nan 8.290 nan 0.000 0.524 255 A N -0.254 122.614 122.820 0.081 0.000 2.832 255 A HA -0.199 4.121 4.320 -0.000 0.000 0.280 255 A C 0.514 178.131 177.584 0.054 0.000 1.464 255 A CA 1.195 53.266 52.037 0.058 0.000 0.804 255 A CB -2.476 16.556 19.000 0.053 0.000 1.020 255 A HN 1.405 nan 8.150 nan 0.000 0.563 256 I N -4.026 116.579 120.570 0.058 0.000 2.439 256 I HA 0.677 4.847 4.170 -0.000 0.000 0.283 256 I C 0.055 176.185 176.117 0.022 0.000 1.023 256 I CA -1.054 60.270 61.300 0.041 0.000 1.100 256 I CB 1.437 39.464 38.000 0.044 0.000 1.238 256 I HN -0.082 nan 8.210 nan 0.000 0.445 257 L N 5.145 126.375 121.223 0.011 0.000 3.017 257 L HA 0.239 4.579 4.340 -0.000 0.000 0.255 257 L C 0.736 177.597 176.870 -0.015 0.000 1.247 257 L CA 0.202 55.042 54.840 -0.000 0.000 1.038 257 L CB 0.356 42.419 42.059 0.006 0.000 1.380 257 L HN 0.746 nan 8.230 nan 0.000 0.548 258 T N -1.415 113.124 114.554 -0.025 0.000 2.762 258 T HA 0.483 4.833 4.350 -0.000 0.000 0.303 258 T C -2.365 172.272 174.700 -0.105 0.000 0.977 258 T CA -1.871 60.210 62.100 -0.031 0.000 0.961 258 T CB 0.774 69.648 68.868 0.010 0.000 0.944 258 T HN -0.127 nan 8.240 nan 0.000 0.481 259 P HA 0.062 nan 4.420 nan 0.000 0.274 259 P C -0.091 177.075 177.300 -0.224 0.000 1.264 259 P CA -0.565 62.448 63.100 -0.146 0.000 0.795 259 P CB 0.557 32.219 31.700 -0.063 0.000 1.064 260 N N 1.043 119.603 118.700 -0.232 0.000 2.458 260 N HA -0.026 4.714 4.740 -0.000 0.000 0.270 260 N C 0.797 176.407 175.510 0.168 0.000 1.102 260 N CA -0.018 52.980 53.050 -0.086 0.000 0.967 260 N CB 0.329 38.799 38.487 -0.028 0.000 1.078 260 N HN 0.342 nan 8.380 nan 0.000 0.471 261 D N 3.118 123.730 120.400 0.354 0.000 2.149 261 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 261 D C 1.112 177.501 176.300 0.148 0.000 0.967 261 D CA 1.440 55.566 54.000 0.209 0.000 0.848 261 D CB -0.136 40.799 40.800 0.225 0.000 0.998 261 D HN 0.728 nan 8.370 nan 0.000 0.474 262 G N 0.083 108.972 108.800 0.148 0.000 2.336 262 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.194 262 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.194 262 G C 0.274 175.148 174.900 -0.043 0.000 0.999 262 G CA -0.233 44.898 45.100 0.051 0.000 0.669 262 G HN 0.397 nan 8.290 nan 0.000 0.482 263 R N 0.561 121.024 120.500 -0.062 0.000 2.532 263 R HA 0.595 4.935 4.340 -0.000 0.000 0.295 263 R C 0.663 176.665 176.300 -0.497 0.000 0.968 263 R CA -0.052 55.906 56.100 -0.237 0.000 0.916 263 R CB 1.617 31.802 30.300 -0.190 0.000 1.124 263 R HN 0.573 nan 8.270 nan 0.000 0.463 264 c N 1.519 119.805 118.600 -0.524 0.000 2.466 264 c HA 0.472 5.042 4.570 -0.000 0.000 0.379 264 c C -0.053 173.629 174.090 -0.680 0.000 1.251 264 c CA -0.697 55.341 56.329 -0.485 0.000 2.263 264 c CB 0.280 42.623 42.510 -0.280 0.000 2.511 264 c HN 0.777 nan 8.230 nan 0.000 0.573 265 H N 4.191 123.214 119.070 -0.079 0.000 2.607 265 H HA 0.408 4.964 4.556 -0.000 0.000 0.248 265 H C -0.591 174.733 175.328 -0.006 0.000 1.355 265 H CA -0.160 55.866 56.048 -0.038 0.000 1.524 265 H CB 0.673 30.407 29.762 -0.047 0.000 1.563 265 H HN 0.779 nan 8.280 nan 0.000 0.509 266 L N -1.246 120.026 121.223 0.082 0.000 2.334 266 L HA 0.540 4.880 4.340 -0.000 0.000 0.270 266 L C 1.051 177.960 176.870 0.065 0.000 1.018 266 L CA -0.371 54.522 54.840 0.089 0.000 0.811 266 L CB 1.673 43.807 42.059 0.126 0.000 1.271 266 L HN 0.163 nan 8.230 nan 0.000 0.443 267 E N 0.357 120.587 120.200 0.049 0.000 2.508 267 E HA 0.033 4.383 4.350 -0.000 0.000 0.217 267 E C -0.678 175.939 176.600 0.028 0.000 0.896 267 E CA 0.561 56.981 56.400 0.034 0.000 1.118 267 E CB 0.634 30.347 29.700 0.022 0.000 1.133 267 E HN 0.965 nan 8.360 nan 0.000 0.526 268 D N 0.120 120.539 120.400 0.031 0.000 2.997 268 D HA 0.111 4.751 4.640 -0.000 0.000 0.362 268 D C -0.325 175.999 176.300 0.041 0.000 1.298 268 D CA -0.589 53.426 54.000 0.025 0.000 0.756 268 D CB -0.807 39.996 40.800 0.004 0.000 1.216 268 D HN -0.166 nan 8.370 nan 0.000 0.496 269 N N 0.327 119.068 118.700 0.069 0.000 2.696 269 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 269 N C -0.611 174.958 175.510 0.099 0.000 1.090 269 N CA 0.722 53.834 53.050 0.105 0.000 0.716 269 N CB -0.939 37.624 38.487 0.127 0.000 1.020 269 N HN 0.694 nan 8.380 nan 0.000 0.548 270 L N 0.205 121.498 121.223 0.116 0.000 2.543 270 L HA 0.330 4.670 4.340 -0.000 0.000 0.265 270 L C -0.251 176.720 176.870 0.169 0.000 0.945 270 L CA -1.178 53.752 54.840 0.150 0.000 0.869 270 L CB 1.056 43.138 42.059 0.039 0.000 1.294 270 L HN 0.160 nan 8.230 nan 0.000 0.405 271 Y N 3.331 123.758 120.300 0.212 0.000 2.712 271 Y HA 0.246 4.796 4.550 -0.000 0.000 0.333 271 Y C -0.146 175.811 175.900 0.096 0.000 1.225 271 Y CA 0.035 58.228 58.100 0.155 0.000 1.499 271 Y CB 0.458 39.023 38.460 0.176 0.000 1.288 271 Y HN 0.551 nan 8.280 nan 0.000 0.575 272 K N 4.089 124.441 120.400 -0.081 0.000 2.895 272 K HA 0.239 4.559 4.320 -0.000 0.000 0.200 272 K C 0.239 176.840 176.600 0.003 0.000 1.133 272 K CA -0.271 55.922 56.287 -0.156 0.000 1.060 272 K CB 0.572 32.995 32.500 -0.129 0.000 0.735 272 K HN 0.665 nan 8.250 nan 0.000 0.451 273 R N -0.512 120.043 120.500 0.091 0.000 2.412 273 R HA 0.043 4.383 4.340 -0.000 0.000 0.212 273 R C 1.940 178.305 176.300 0.108 0.000 0.878 273 R CA 0.693 56.830 56.100 0.062 0.000 1.022 273 R CB 0.061 30.354 30.300 -0.011 0.000 1.265 273 R HN 0.165 nan 8.270 nan 0.000 0.620 274 S N 1.533 117.342 115.700 0.181 0.000 2.440 274 S HA -0.134 4.336 4.470 -0.000 0.000 0.240 274 S C 1.360 176.074 174.600 0.191 0.000 1.014 274 S CA 1.303 59.610 58.200 0.179 0.000 0.980 274 S CB -0.190 63.039 63.200 0.048 0.000 0.775 274 S HN 0.170 nan 8.310 nan 0.000 0.499 275 N N 2.034 120.845 118.700 0.184 0.000 2.207 275 N HA 0.012 4.752 4.740 -0.000 0.000 0.182 275 N C 0.522 176.102 175.510 0.117 0.000 1.020 275 N CA 1.204 54.328 53.050 0.123 0.000 0.858 275 N CB -0.428 38.124 38.487 0.107 0.000 0.991 275 N HN 0.591 nan 8.380 nan 0.000 0.427 276 E N -0.155 120.126 120.200 0.135 0.000 2.320 276 E HA 0.237 4.587 4.350 -0.000 0.000 0.234 276 E C -0.970 175.755 176.600 0.208 0.000 1.290 276 E CA -0.197 56.279 56.400 0.127 0.000 1.545 276 E CB -0.465 29.290 29.700 0.092 0.000 1.379 276 E HN 0.231 nan 8.360 nan 0.000 0.437 277 F N -0.186 119.761 119.950 -0.005 0.000 2.669 277 F HA 0.310 4.837 4.527 -0.000 0.000 0.315 277 F C -1.686 174.083 175.800 -0.052 0.000 1.109 277 F CA -1.201 56.787 58.000 -0.020 0.000 1.028 277 F CB 1.450 40.438 39.000 -0.019 0.000 1.287 277 F HN -0.170 nan 8.300 nan 0.000 0.452 278 D N 2.681 122.555 120.400 -0.877 0.000 2.340 278 D HA 0.291 4.931 4.640 -0.000 0.000 0.251 278 D C -1.003 174.792 176.300 -0.841 0.000 1.080 278 D CA 0.094 53.741 54.000 -0.589 0.000 0.971 278 D CB 0.861 41.480 40.800 -0.302 0.000 1.137 278 D HN 0.466 nan 8.370 nan 0.000 0.475 279 Y N 0.792 120.882 120.300 -0.350 0.000 2.497 279 Y HA 0.187 4.737 4.550 -0.000 0.000 0.334 279 Y C -1.458 174.368 175.900 -0.123 0.000 1.199 279 Y CA -1.334 56.671 58.100 -0.159 0.000 1.425 279 Y CB 0.371 38.817 38.460 -0.023 0.000 1.291 279 Y HN 0.254 nan 8.280 nan 0.000 0.562 280 P HA -0.016 nan 4.420 nan 0.000 0.267 280 P C -0.559 176.831 177.300 0.150 0.000 1.209 280 P CA -0.193 62.978 63.100 0.118 0.000 0.763 280 P CB 0.500 32.277 31.700 0.128 0.000 0.816 281 S N 2.279 118.034 115.700 0.090 0.000 2.572 281 S HA -0.029 4.441 4.470 -0.000 0.000 0.267 281 S C 1.413 176.050 174.600 0.061 0.000 1.361 281 S CA -0.287 57.961 58.200 0.080 0.000 1.009 281 S CB 0.302 63.514 63.200 0.019 0.000 0.888 281 S HN 0.303 nan 8.310 nan 0.000 0.553 282 V N 2.344 122.256 119.914 -0.005 0.000 2.332 282 V HA 0.025 4.145 4.120 -0.000 0.000 0.248 282 V C 2.040 178.111 176.094 -0.038 0.000 1.055 282 V CA 2.543 64.813 62.300 -0.050 0.000 1.038 282 V CB -1.342 30.345 31.823 -0.227 0.000 0.651 282 V HN 1.076 nan 8.190 nan 0.000 0.450 283 G N -1.466 107.304 108.800 -0.051 0.000 2.985 283 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.209 283 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.209 283 G C 1.235 176.121 174.900 -0.022 0.000 1.165 283 G CA 0.495 45.567 45.100 -0.047 0.000 0.776 283 G HN 0.604 nan 8.290 nan 0.000 0.541 284 Q N -0.296 119.502 119.800 -0.004 0.000 2.444 284 Q HA 0.280 4.620 4.340 -0.000 0.000 0.206 284 Q C 1.642 177.656 176.000 0.023 0.000 0.948 284 Q CA 0.142 55.955 55.803 0.017 0.000 0.946 284 Q CB -0.016 28.737 28.738 0.025 0.000 1.027 284 Q HN 0.494 nan 8.270 nan 0.000 0.513 285 L N -1.381 119.840 121.223 -0.003 0.000 2.435 285 L HA 0.287 4.627 4.340 -0.000 0.000 0.195 285 L C 2.243 179.080 176.870 -0.055 0.000 1.072 285 L CA 0.610 55.425 54.840 -0.040 0.000 0.833 285 L CB -0.566 41.459 42.059 -0.056 0.000 1.081 285 L HN 0.149 nan 8.230 nan 0.000 0.485 286 A N -0.605 122.186 122.820 -0.048 0.000 2.148 286 A HA -0.278 4.042 4.320 -0.000 0.000 0.222 286 A C 2.087 179.640 177.584 -0.051 0.000 1.161 286 A CA 1.905 53.899 52.037 -0.071 0.000 0.662 286 A CB -0.947 18.011 19.000 -0.071 0.000 0.799 286 A HN 0.566 nan 8.150 nan 0.000 0.466 287 H N -1.053 117.950 119.070 -0.110 0.000 2.283 287 H HA 0.021 4.577 4.556 -0.000 0.000 0.320 287 H C 2.166 177.428 175.328 -0.109 0.000 1.074 287 H CA 1.497 57.482 56.048 -0.105 0.000 1.476 287 H CB -0.026 29.684 29.762 -0.085 0.000 1.465 287 H HN 0.334 nan 8.280 nan 0.000 0.573 288 K N 1.093 121.420 120.400 -0.122 0.000 2.009 288 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 288 K C 2.441 178.902 176.600 -0.231 0.000 1.049 288 K CA 1.581 57.753 56.287 -0.193 0.000 0.929 288 K CB -0.957 31.506 32.500 -0.061 0.000 0.714 288 K HN 0.244 nan 8.250 nan 0.000 0.440 289 L N 0.571 121.680 121.223 -0.190 0.000 1.971 289 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 289 L C 2.105 178.829 176.870 -0.243 0.000 1.072 289 L CA 2.555 57.263 54.840 -0.221 0.000 0.758 289 L CB -1.178 40.768 42.059 -0.188 0.000 0.889 289 L HN 0.271 nan 8.230 nan 0.000 0.433 290 A N -1.514 121.172 122.820 -0.224 0.000 2.172 290 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 290 A C 2.246 179.688 177.584 -0.235 0.000 1.154 290 A CA 1.359 53.262 52.037 -0.223 0.000 0.701 290 A CB -0.699 18.179 19.000 -0.204 0.000 0.789 290 A HN 0.682 nan 8.150 nan 0.000 0.465 291 E N 0.117 120.149 120.200 -0.279 0.000 2.158 291 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 291 E C 0.495 176.959 176.600 -0.226 0.000 0.982 291 E CA 0.805 57.041 56.400 -0.274 0.000 0.823 291 E CB -0.024 29.458 29.700 -0.362 0.000 0.766 291 E HN 0.509 nan 8.360 nan 0.000 0.468 292 N N 1.271 119.819 118.700 -0.255 0.000 2.313 292 N HA 0.043 4.782 4.740 -0.000 0.000 0.207 292 N C -0.856 174.487 175.510 -0.279 0.000 1.141 292 N CA 0.225 53.112 53.050 -0.270 0.000 0.830 292 N CB 0.022 38.302 38.487 -0.345 0.000 1.008 292 N HN 0.222 nan 8.380 nan 0.000 0.481 293 N N 0.082 118.639 118.700 -0.238 0.000 2.740 293 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 293 N C -1.085 174.273 175.510 -0.253 0.000 1.062 293 N CA 0.310 53.226 53.050 -0.223 0.000 0.704 293 N CB -1.145 37.238 38.487 -0.173 0.000 0.968 293 N HN 0.347 nan 8.380 nan 0.000 0.547 294 I N 0.495 120.892 120.570 -0.289 0.000 2.493 294 I HA 0.331 4.501 4.170 -0.000 0.000 0.298 294 I C -0.268 175.707 176.117 -0.237 0.000 0.998 294 I CA -0.627 60.496 61.300 -0.295 0.000 1.137 294 I CB 1.728 39.481 38.000 -0.411 0.000 1.310 294 I HN -0.003 nan 8.210 nan 0.000 0.445 295 Q N 5.887 125.567 119.800 -0.200 0.000 2.350 295 Q HA 0.391 4.730 4.340 -0.000 0.000 0.255 295 Q C -2.577 173.296 176.000 -0.212 0.000 0.951 295 Q CA -1.824 53.857 55.803 -0.204 0.000 0.751 295 Q CB 2.073 30.699 28.738 -0.187 0.000 1.296 295 Q HN 0.240 nan 8.270 nan 0.000 0.453 296 P HA 0.199 nan 4.420 nan 0.000 0.270 296 P C -0.226 176.801 177.300 -0.455 0.000 1.223 296 P CA 0.018 62.913 63.100 -0.343 0.000 0.785 296 P CB 0.769 32.184 31.700 -0.474 0.000 0.923 297 I N 1.725 122.063 120.570 -0.387 0.000 2.495 297 I HA 0.236 4.406 4.170 -0.000 0.000 0.277 297 I C -0.331 175.619 176.117 -0.277 0.000 1.045 297 I CA -0.757 60.352 61.300 -0.318 0.000 1.135 297 I CB 0.373 38.285 38.000 -0.147 0.000 1.241 297 I HN 0.144 nan 8.210 nan 0.000 0.469 298 F N 4.832 124.718 119.950 -0.107 0.000 2.602 298 F HA 0.272 4.799 4.527 -0.000 0.000 0.385 298 F C 0.957 176.698 175.800 -0.098 0.000 1.063 298 F CA -0.041 57.848 58.000 -0.185 0.000 1.233 298 F CB 0.357 39.205 39.000 -0.253 0.000 1.067 298 F HN 0.491 nan 8.300 nan 0.000 0.564 299 A N 4.117 126.987 122.820 0.084 0.000 2.684 299 A HA 0.661 4.981 4.320 -0.000 0.000 0.289 299 A C -0.813 176.820 177.584 0.082 0.000 1.139 299 A CA -0.374 51.709 52.037 0.076 0.000 0.793 299 A CB 0.333 19.360 19.000 0.044 0.000 1.334 299 A HN 0.822 nan 8.150 nan 0.000 0.408 300 V N -0.609 119.383 119.914 0.130 0.000 3.087 300 V HA 0.894 5.014 4.120 -0.000 0.000 0.311 300 V C 0.398 176.588 176.094 0.161 0.000 1.333 300 V CA -0.233 62.170 62.300 0.171 0.000 1.054 300 V CB 0.794 32.803 31.823 0.310 0.000 1.123 300 V HN 1.237 nan 8.190 nan 0.000 0.473 301 T N -0.568 114.085 114.554 0.165 0.000 2.795 301 T HA 0.199 4.549 4.350 -0.000 0.000 0.314 301 T C 1.306 176.079 174.700 0.122 0.000 1.069 301 T CA 0.482 62.658 62.100 0.127 0.000 1.071 301 T CB 0.635 69.572 68.868 0.115 0.000 0.988 301 T HN 1.814 nan 8.240 nan 0.000 0.543 302 S N -0.090 115.665 115.700 0.091 0.000 2.481 302 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 302 S C 1.899 176.540 174.600 0.068 0.000 0.996 302 S CA 0.274 58.520 58.200 0.077 0.000 0.942 302 S CB -0.523 62.713 63.200 0.060 0.000 0.768 302 S HN 0.772 nan 8.310 nan 0.000 0.520 303 R N 0.206 120.750 120.500 0.072 0.000 2.148 303 R HA 0.180 4.520 4.340 -0.000 0.000 0.223 303 R C 0.810 177.144 176.300 0.057 0.000 1.088 303 R CA 0.892 57.027 56.100 0.058 0.000 0.985 303 R CB -0.049 30.287 30.300 0.061 0.000 0.880 303 R HN 0.378 nan 8.270 nan 0.000 0.451 304 M N 0.351 120.007 119.600 0.093 0.000 2.685 304 M HA 0.058 4.538 4.480 -0.000 0.000 0.355 304 M C 1.063 177.438 176.300 0.126 0.000 1.197 304 M CA 0.050 55.397 55.300 0.078 0.000 0.947 304 M CB 1.040 33.747 32.600 0.178 0.000 1.346 304 M HN -0.021 nan 8.290 nan 0.000 0.516 305 V N 1.013 120.990 119.914 0.104 0.000 2.446 305 V HA -0.058 4.062 4.120 -0.000 0.000 0.244 305 V C 1.823 177.949 176.094 0.053 0.000 1.039 305 V CA 1.773 64.142 62.300 0.115 0.000 1.045 305 V CB 0.105 31.981 31.823 0.089 0.000 0.681 305 V HN 0.420 nan 8.190 nan 0.000 0.459 306 K N -0.671 119.736 120.400 0.011 0.000 2.404 306 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 306 K C 1.845 178.410 176.600 -0.059 0.000 1.023 306 K CA 0.878 57.156 56.287 -0.015 0.000 1.094 306 K CB 0.197 32.693 32.500 -0.007 0.000 0.841 306 K HN 0.486 nan 8.250 nan 0.000 0.523 307 T N -0.708 113.780 114.554 -0.110 0.000 2.976 307 T HA -0.040 4.310 4.350 -0.000 0.000 0.257 307 T C 1.241 175.752 174.700 -0.315 0.000 1.051 307 T CA 0.776 62.766 62.100 -0.183 0.000 1.141 307 T CB -0.009 68.733 68.868 -0.209 0.000 0.881 307 T HN 0.121 nan 8.240 nan 0.000 0.461 308 Y N 1.302 121.438 120.300 -0.272 0.000 2.544 308 Y HA 0.255 4.805 4.550 -0.000 0.000 0.286 308 Y C 2.291 177.890 175.900 -0.501 0.000 1.141 308 Y CA 0.405 58.134 58.100 -0.618 0.000 1.299 308 Y CB -0.255 37.748 38.460 -0.762 0.000 1.030 308 Y HN 0.298 nan 8.280 nan 0.000 0.543 309 E N 0.840 120.967 120.200 -0.122 0.000 2.072 309 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 309 E C 1.855 178.410 176.600 -0.076 0.000 0.985 309 E CA 1.351 57.710 56.400 -0.068 0.000 0.801 309 E CB 0.033 29.718 29.700 -0.024 0.000 0.750 309 E HN -0.033 nan 8.360 nan 0.000 0.452 310 K N 0.063 120.410 120.400 -0.088 0.000 2.211 310 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 310 K C 1.949 178.497 176.600 -0.088 0.000 1.050 310 K CA 0.591 56.835 56.287 -0.072 0.000 0.945 310 K CB -0.344 32.118 32.500 -0.063 0.000 0.732 310 K HN 0.236 nan 8.250 nan 0.000 0.451 311 L N 1.156 122.285 121.223 -0.156 0.000 2.313 311 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 311 L C 1.725 178.548 176.870 -0.078 0.000 1.119 311 L CA 1.652 56.391 54.840 -0.169 0.000 0.809 311 L CB -0.598 41.248 42.059 -0.356 0.000 0.933 311 L HN 0.013 nan 8.230 nan 0.000 0.449 312 T N -0.482 114.034 114.554 -0.062 0.000 2.867 312 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 312 T C 1.651 176.386 174.700 0.058 0.000 1.057 312 T CA 1.178 63.327 62.100 0.080 0.000 1.136 312 T CB -0.090 68.831 68.868 0.089 0.000 0.874 312 T HN 0.359 nan 8.240 nan 0.000 0.466 313 E N 1.024 121.233 120.200 0.015 0.000 2.038 313 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 313 E C 2.216 178.815 176.600 -0.001 0.000 1.000 313 E CA 0.896 57.303 56.400 0.012 0.000 0.803 313 E CB -0.337 29.357 29.700 -0.009 0.000 0.750 313 E HN 0.367 nan 8.360 nan 0.000 0.448 314 I N 1.228 121.786 120.570 -0.020 0.000 2.102 314 I HA -0.128 4.042 4.170 -0.000 0.000 0.228 314 I C 1.862 177.950 176.117 -0.049 0.000 1.057 314 I CA 0.366 61.641 61.300 -0.041 0.000 1.334 314 I CB -1.000 36.969 38.000 -0.051 0.000 1.096 314 I HN 0.078 nan 8.210 nan 0.000 0.396 315 I N 2.437 122.990 120.570 -0.027 0.000 2.752 315 I HA 0.020 4.190 4.170 -0.000 0.000 0.287 315 I C -2.024 174.060 176.117 -0.054 0.000 1.188 315 I CA -1.204 60.068 61.300 -0.047 0.000 1.427 315 I CB 1.033 39.029 38.000 -0.008 0.000 1.365 315 I HN 0.032 nan 8.210 nan 0.000 0.585 316 P HA 0.147 nan 4.420 nan 0.000 0.276 316 P C -1.424 175.855 177.300 -0.035 0.000 1.261 316 P CA -0.500 62.488 63.100 -0.187 0.000 0.800 316 P CB 0.290 31.686 31.700 -0.506 0.000 1.066 317 K N -0.539 119.945 120.400 0.140 0.000 4.814 317 K HA -0.060 4.260 4.320 -0.000 0.000 0.295 317 K C -0.703 175.890 176.600 -0.013 0.000 0.828 317 K CA 0.687 57.029 56.287 0.092 0.000 0.895 317 K CB -2.160 30.346 32.500 0.008 0.000 1.810 317 K HN 0.675 nan 8.250 nan 0.000 0.418 318 S N -0.769 114.952 115.700 0.034 0.000 2.592 318 S HA 0.730 5.200 4.470 -0.000 0.000 0.275 318 S C -0.740 173.926 174.600 0.110 0.000 1.169 318 S CA -0.618 57.577 58.200 -0.009 0.000 0.958 318 S CB 2.249 65.483 63.200 0.057 0.000 1.095 318 S HN 0.541 nan 8.310 nan 0.000 0.471 319 A N 2.052 124.915 122.820 0.072 0.000 2.330 319 A HA 0.930 5.250 4.320 -0.000 0.000 0.329 319 A C 0.032 177.750 177.584 0.223 0.000 1.135 319 A CA -0.700 51.412 52.037 0.125 0.000 0.817 319 A CB 1.260 20.293 19.000 0.056 0.000 1.269 319 A HN 1.979 nan 8.150 nan 0.000 0.469 320 V N -0.870 119.152 119.914 0.181 0.000 2.435 320 V HA 0.879 4.999 4.120 -0.000 0.000 0.290 320 V C 0.166 176.336 176.094 0.126 0.000 1.030 320 V CA 0.063 62.471 62.300 0.179 0.000 0.881 320 V CB 1.144 33.042 31.823 0.124 0.000 0.983 320 V HN 1.403 nan 8.190 nan 0.000 0.445 321 G N 2.964 111.841 108.800 0.127 0.000 2.866 321 G HA2 0.422 4.382 3.960 -0.000 0.000 0.291 321 G HA3 0.422 4.382 3.960 -0.000 0.000 0.291 321 G C -0.613 174.347 174.900 0.101 0.000 1.476 321 G CA -0.330 44.830 45.100 0.099 0.000 1.048 321 G HN 0.810 nan 8.290 nan 0.000 0.542 322 E N 2.622 122.876 120.200 0.091 0.000 2.257 322 E HA 0.383 4.733 4.350 -0.000 0.000 0.278 322 E C -0.580 176.067 176.600 0.078 0.000 1.049 322 E CA -0.197 56.255 56.400 0.088 0.000 0.876 322 E CB 1.028 30.773 29.700 0.075 0.000 1.035 322 E HN 0.432 nan 8.360 nan 0.000 0.419 323 L N 1.050 122.321 121.223 0.081 0.000 2.341 323 L HA 0.593 4.933 4.340 -0.000 0.000 0.254 323 L C -0.029 176.883 176.870 0.069 0.000 1.040 323 L CA -1.034 53.849 54.840 0.073 0.000 0.837 323 L CB 1.037 43.142 42.059 0.077 0.000 1.425 323 L HN 0.118 nan 8.230 nan 0.000 0.414 324 S N -0.409 115.328 115.700 0.061 0.000 2.600 324 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 324 S C 0.755 175.390 174.600 0.058 0.000 1.325 324 S CA -0.076 58.157 58.200 0.055 0.000 1.002 324 S CB 0.825 64.052 63.200 0.046 0.000 0.921 324 S HN 0.791 nan 8.310 nan 0.000 0.554 325 E N 1.098 121.330 120.200 0.053 0.000 2.526 325 E HA -0.087 4.263 4.350 -0.000 0.000 0.198 325 E C 0.630 177.258 176.600 0.046 0.000 1.091 325 E CA 0.622 57.055 56.400 0.054 0.000 0.880 325 E CB -0.204 29.526 29.700 0.051 0.000 0.873 325 E HN 0.615 nan 8.360 nan 0.000 0.527 326 D N -1.917 118.510 120.400 0.044 0.000 2.379 326 D HA 0.045 4.685 4.640 -0.000 0.000 0.208 326 D C 0.059 176.386 176.300 0.044 0.000 1.065 326 D CA 0.327 54.348 54.000 0.035 0.000 0.848 326 D CB -0.235 40.582 40.800 0.028 0.000 0.949 326 D HN -0.045 nan 8.370 nan 0.000 0.509 327 S N -0.788 114.948 115.700 0.060 0.000 3.641 327 S HA -0.224 4.246 4.470 -0.000 0.000 0.346 327 S C 1.300 175.941 174.600 0.069 0.000 1.074 327 S CA 0.807 59.055 58.200 0.081 0.000 1.026 327 S CB -2.191 61.071 63.200 0.104 0.000 0.908 327 S HN 0.659 nan 8.310 nan 0.000 0.479 328 S N 1.285 117.016 115.700 0.053 0.000 2.421 328 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 328 S C 0.955 175.584 174.600 0.048 0.000 1.035 328 S CA 0.575 58.799 58.200 0.041 0.000 0.953 328 S CB -0.320 62.898 63.200 0.031 0.000 0.810 328 S HN 0.766 nan 8.310 nan 0.000 0.497 329 N N 1.946 120.679 118.700 0.055 0.000 2.597 329 N HA 0.164 4.904 4.740 -0.000 0.000 0.269 329 N C 0.624 176.178 175.510 0.074 0.000 1.204 329 N CA -0.176 52.909 53.050 0.058 0.000 0.947 329 N CB 0.381 38.900 38.487 0.053 0.000 1.258 329 N HN 0.301 nan 8.380 nan 0.000 0.508 330 V N -0.416 119.550 119.914 0.087 0.000 2.788 330 V HA -0.022 4.098 4.120 -0.000 0.000 0.251 330 V C 1.496 177.660 176.094 0.118 0.000 1.068 330 V CA 0.843 63.215 62.300 0.120 0.000 1.090 330 V CB 0.039 31.965 31.823 0.172 0.000 0.710 330 V HN 0.258 nan 8.190 nan 0.000 0.467 331 V N 0.051 120.021 119.914 0.093 0.000 2.871 331 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 331 V C 2.246 178.389 176.094 0.081 0.000 1.082 331 V CA 1.851 64.203 62.300 0.086 0.000 1.105 331 V CB -0.576 31.285 31.823 0.063 0.000 0.713 331 V HN 0.649 nan 8.190 nan 0.000 0.473 332 Q N -0.191 119.653 119.800 0.074 0.000 2.472 332 Q HA -0.017 4.323 4.340 -0.000 0.000 0.208 332 Q C 2.016 178.061 176.000 0.075 0.000 0.958 332 Q CA 0.628 56.472 55.803 0.070 0.000 0.932 332 Q CB -0.050 28.724 28.738 0.060 0.000 1.007 332 Q HN 0.621 nan 8.270 nan 0.000 0.508 333 L N 0.018 121.289 121.223 0.080 0.000 2.046 333 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 333 L C 2.007 178.919 176.870 0.071 0.000 1.077 333 L CA 1.099 55.983 54.840 0.074 0.000 0.747 333 L CB -0.251 41.853 42.059 0.076 0.000 0.896 333 L HN 0.343 nan 8.230 nan 0.000 0.432 334 I N -0.634 119.987 120.570 0.086 0.000 3.059 334 I HA -0.148 4.022 4.170 -0.000 0.000 0.270 334 I C 2.356 178.567 176.117 0.157 0.000 1.238 334 I CA 0.344 61.704 61.300 0.100 0.000 1.478 334 I CB -0.144 37.932 38.000 0.126 0.000 1.097 334 I HN 0.131 nan 8.210 nan 0.000 0.455 335 K N 1.761 122.238 120.400 0.128 0.000 2.283 335 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 335 K C 1.301 177.969 176.600 0.114 0.000 1.048 335 K CA 1.438 57.800 56.287 0.124 0.000 0.948 335 K CB -0.100 32.452 32.500 0.086 0.000 0.742 335 K HN 0.210 nan 8.250 nan 0.000 0.458 336 N N -0.227 118.530 118.700 0.094 0.000 2.299 336 N HA 0.145 4.885 4.740 -0.000 0.000 0.187 336 N C 0.907 176.458 175.510 0.068 0.000 1.099 336 N CA 0.714 53.812 53.050 0.080 0.000 0.867 336 N CB 0.455 38.982 38.487 0.068 0.000 0.974 336 N HN 0.245 nan 8.380 nan 0.000 0.477 337 A N 0.450 123.304 122.820 0.056 0.000 1.832 337 A HA -0.030 4.290 4.320 -0.000 0.000 0.214 337 A C 1.613 179.186 177.584 -0.019 0.000 1.242 337 A CA 0.816 52.838 52.037 -0.025 0.000 0.603 337 A CB -1.175 17.756 19.000 -0.115 0.000 0.902 337 A HN 0.219 nan 8.150 nan 0.000 0.455 338 Y N 0.762 121.093 120.300 0.052 0.000 2.365 338 Y HA -0.262 4.288 4.550 -0.000 0.000 0.287 338 Y C 2.523 178.458 175.900 0.059 0.000 1.162 338 Y CA 1.290 59.426 58.100 0.060 0.000 1.260 338 Y CB -0.344 38.150 38.460 0.057 0.000 0.976 338 Y HN 0.467 nan 8.280 nan 0.000 0.548 339 N N 0.785 119.598 118.700 0.187 0.000 2.036 339 N HA -0.195 4.545 4.740 -0.000 0.000 0.195 339 N C 0.847 176.419 175.510 0.104 0.000 1.037 339 N CA 1.707 54.833 53.050 0.126 0.000 0.855 339 N CB -0.029 38.516 38.487 0.096 0.000 1.033 339 N HN 0.110 nan 8.380 nan 0.000 0.423 340 K N -0.475 119.976 120.400 0.085 0.000 2.619 340 K HA 0.157 4.477 4.320 -0.000 0.000 0.201 340 K C 0.470 177.105 176.600 0.059 0.000 1.090 340 K CA -0.184 56.143 56.287 0.068 0.000 1.063 340 K CB 0.580 33.114 32.500 0.056 0.000 0.810 340 K HN 0.155 nan 8.250 nan 0.000 0.506 341 L N -0.014 121.244 121.223 0.057 0.000 2.470 341 L HA 0.234 4.574 4.340 -0.000 0.000 0.219 341 L C 1.157 178.084 176.870 0.094 0.000 1.071 341 L CA 1.336 56.193 54.840 0.028 0.000 0.850 341 L CB 0.404 42.418 42.059 -0.076 0.000 1.040 341 L HN -0.133 nan 8.230 nan 0.000 0.475 342 S N -1.386 114.413 115.700 0.164 0.000 2.605 342 S HA 0.133 4.603 4.470 -0.000 0.000 0.217 342 S C 1.673 176.401 174.600 0.213 0.000 0.958 342 S CA 0.537 58.889 58.200 0.253 0.000 0.919 342 S CB 0.126 63.514 63.200 0.314 0.000 0.780 342 S HN 0.388 nan 8.310 nan 0.000 0.507 343 S N 1.121 116.905 115.700 0.140 0.000 2.502 343 S HA 0.194 4.664 4.470 -0.000 0.000 0.228 343 S C 0.750 175.370 174.600 0.033 0.000 1.061 343 S CA -0.105 58.152 58.200 0.096 0.000 0.935 343 S CB 0.201 63.442 63.200 0.069 0.000 0.809 343 S HN 0.358 nan 8.310 nan 0.000 0.510 344 R N 2.576 123.059 120.500 -0.027 0.000 2.459 344 R HA 0.168 4.508 4.340 -0.000 0.000 0.301 344 R C -1.047 175.063 176.300 -0.317 0.000 1.286 344 R CA -0.062 55.887 56.100 -0.251 0.000 1.046 344 R CB -0.082 30.035 30.300 -0.304 0.000 1.071 344 R HN 0.091 nan 8.270 nan 0.000 0.512 345 V N 5.450 125.218 119.914 -0.244 0.000 2.439 345 V HA 0.127 4.247 4.120 -0.000 0.000 0.271 345 V C 0.241 176.094 176.094 -0.401 0.000 1.040 345 V CA 0.299 62.467 62.300 -0.220 0.000 1.002 345 V CB -0.157 31.624 31.823 -0.069 0.000 1.000 345 V HN 0.449 nan 8.190 nan 0.000 0.477 346 F N 4.492 124.356 119.950 -0.145 0.000 2.483 346 F HA 0.670 5.197 4.527 -0.000 0.000 0.329 346 F C 0.173 175.737 175.800 -0.394 0.000 1.064 346 F CA -0.724 57.139 58.000 -0.227 0.000 0.986 346 F CB 1.908 40.850 39.000 -0.096 0.000 1.218 346 F HN 0.277 nan 8.300 nan 0.000 0.484 347 L N 2.389 123.466 121.223 -0.243 0.000 2.685 347 L HA 0.303 4.643 4.340 -0.000 0.000 0.297 347 L C -0.895 175.747 176.870 -0.379 0.000 1.367 347 L CA -0.023 54.564 54.840 -0.421 0.000 0.703 347 L CB -0.490 41.045 42.059 -0.874 0.000 1.039 347 L HN 0.438 nan 8.230 nan 0.000 0.529 348 D N 0.103 120.409 120.400 -0.155 0.000 2.469 348 D HA 0.518 5.158 4.640 -0.000 0.000 0.278 348 D C -0.081 176.340 176.300 0.201 0.000 1.231 348 D CA 0.141 54.119 54.000 -0.037 0.000 1.075 348 D CB 0.548 41.254 40.800 -0.157 0.000 1.121 348 D HN 0.435 nan 8.370 nan 0.000 0.571 349 H N -2.031 117.089 119.070 0.083 0.000 3.017 349 H HA 0.358 4.914 4.556 -0.000 0.000 0.346 349 H C -0.822 174.562 175.328 0.094 0.000 1.286 349 H CA -0.869 55.270 56.048 0.153 0.000 1.120 349 H CB 0.106 30.015 29.762 0.245 0.000 1.860 349 H HN 0.058 nan 8.280 nan 0.000 0.542 350 N N 0.078 118.891 118.700 0.189 0.000 2.407 350 N HA 0.179 4.919 4.740 -0.000 0.000 0.250 350 N C 0.150 175.686 175.510 0.042 0.000 1.236 350 N CA 0.446 53.551 53.050 0.093 0.000 0.879 350 N CB 0.368 38.947 38.487 0.154 0.000 1.088 350 N HN 0.713 nan 8.380 nan 0.000 0.450 351 A N 2.288 125.096 122.820 -0.020 0.000 2.512 351 A HA 0.115 4.435 4.320 -0.000 0.000 0.278 351 A C 0.250 177.841 177.584 0.012 0.000 1.128 351 A CA -0.191 51.824 52.037 -0.036 0.000 0.818 351 A CB -1.227 17.750 19.000 -0.039 0.000 1.044 351 A HN 0.588 nan 8.150 nan 0.000 0.526 352 L N 2.823 124.062 121.223 0.027 0.000 2.453 352 L HA 0.639 4.979 4.340 -0.000 0.000 0.261 352 L C -1.823 175.029 176.870 -0.030 0.000 1.179 352 L CA -1.784 53.039 54.840 -0.028 0.000 0.813 352 L CB -0.881 41.095 42.059 -0.140 0.000 1.110 352 L HN 0.421 nan 8.230 nan 0.000 0.466 353 P HA 0.049 nan 4.420 nan 0.000 0.269 353 P C -0.291 176.986 177.300 -0.039 0.000 1.215 353 P CA -0.139 62.944 63.100 -0.029 0.000 0.780 353 P CB 0.482 32.170 31.700 -0.021 0.000 0.898 354 D N -0.292 120.086 120.400 -0.036 0.000 2.263 354 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 354 D C 1.138 177.410 176.300 -0.047 0.000 0.971 354 D CA 1.489 55.464 54.000 -0.043 0.000 0.867 354 D CB -1.379 39.392 40.800 -0.048 0.000 0.929 354 D HN 0.448 nan 8.370 nan 0.000 0.492 355 T N -2.165 112.364 114.554 -0.042 0.000 3.215 355 T HA 0.230 4.580 4.350 -0.000 0.000 0.254 355 T C 0.682 175.358 174.700 -0.040 0.000 1.149 355 T CA -0.154 61.924 62.100 -0.037 0.000 1.042 355 T CB -0.465 68.386 68.868 -0.028 0.000 0.966 355 T HN 0.135 nan 8.240 nan 0.000 0.534 356 L N -0.165 121.025 121.223 -0.054 0.000 2.415 356 L HA 0.667 5.007 4.340 -0.000 0.000 0.256 356 L C -0.866 175.958 176.870 -0.075 0.000 1.010 356 L CA -1.262 53.534 54.840 -0.074 0.000 0.826 356 L CB 2.289 44.276 42.059 -0.121 0.000 1.405 356 L HN -0.181 nan 8.230 nan 0.000 0.410 357 K N 1.984 122.335 120.400 -0.082 0.000 2.535 357 K HA 0.629 4.949 4.320 -0.000 0.000 0.250 357 K C -1.469 175.061 176.600 -0.116 0.000 0.948 357 K CA -0.528 55.718 56.287 -0.068 0.000 0.796 357 K CB 2.702 35.187 32.500 -0.026 0.000 1.216 357 K HN 0.243 nan 8.250 nan 0.000 0.432 358 V N 1.708 121.532 119.914 -0.150 0.000 2.715 358 V HA 0.644 4.764 4.120 -0.000 0.000 0.310 358 V C 0.266 176.249 176.094 -0.186 0.000 1.054 358 V CA -0.592 61.548 62.300 -0.268 0.000 0.928 358 V CB 2.003 33.497 31.823 -0.549 0.000 1.007 358 V HN 1.014 nan 8.190 nan 0.000 0.437 359 T N 0.533 114.906 114.554 -0.301 0.000 2.804 359 T HA 0.830 5.180 4.350 -0.000 0.000 0.290 359 T C -1.391 173.063 174.700 -0.410 0.000 1.099 359 T CA -0.649 61.356 62.100 -0.157 0.000 1.011 359 T CB 1.983 70.816 68.868 -0.059 0.000 1.291 359 T HN 0.364 nan 8.240 nan 0.000 0.523 360 Y N -1.084 119.200 120.300 -0.026 0.000 2.677 360 Y HA 0.723 5.273 4.550 -0.000 0.000 0.334 360 Y C -0.796 175.126 175.900 0.037 0.000 1.154 360 Y CA -0.969 57.128 58.100 -0.004 0.000 1.070 360 Y CB 1.596 40.056 38.460 0.000 0.000 1.294 360 Y HN 0.714 nan 8.280 nan 0.000 0.475 361 D N -0.836 119.732 120.400 0.279 0.000 2.533 361 D HA 0.742 5.382 4.640 -0.000 0.000 0.247 361 D C -1.391 175.078 176.300 0.282 0.000 1.056 361 D CA -0.711 53.411 54.000 0.203 0.000 1.054 361 D CB 2.106 43.002 40.800 0.160 0.000 1.400 361 D HN 0.347 nan 8.370 nan 0.000 0.533 362 S N -0.098 115.679 115.700 0.130 0.000 2.614 362 S HA 0.498 4.968 4.470 -0.000 0.000 0.275 362 S C -1.347 173.178 174.600 -0.125 0.000 1.161 362 S CA -0.557 57.709 58.200 0.109 0.000 0.969 362 S CB 0.678 63.992 63.200 0.190 0.000 1.059 362 S HN 0.297 nan 8.310 nan 0.000 0.482 363 F N 1.682 121.590 119.950 -0.069 0.000 2.622 363 F HA 0.310 4.837 4.527 -0.000 0.000 0.338 363 F C 0.459 176.198 175.800 -0.101 0.000 1.334 363 F CA -0.648 57.309 58.000 -0.073 0.000 1.179 363 F CB 0.339 39.289 39.000 -0.084 0.000 1.471 363 F HN 0.491 nan 8.300 nan 0.000 0.576 364 c N 0.644 119.272 118.600 0.048 0.000 2.775 364 c HA 0.025 4.595 4.570 -0.000 0.000 0.391 364 c C 2.271 176.387 174.090 0.044 0.000 1.295 364 c CA 0.631 56.978 56.329 0.030 0.000 2.119 364 c CB 0.802 43.332 42.510 0.034 0.000 2.705 364 c HN 0.873 nan 8.230 nan 0.000 0.710 365 S N 1.483 117.200 115.700 0.028 0.000 2.371 365 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 365 S C 0.636 175.250 174.600 0.023 0.000 1.029 365 S CA 1.211 59.426 58.200 0.025 0.000 0.978 365 S CB -0.561 62.651 63.200 0.019 0.000 0.833 365 S HN 0.896 nan 8.310 nan 0.000 0.466 366 N N 1.678 120.389 118.700 0.018 0.000 3.188 366 N HA 0.463 5.203 4.740 -0.000 0.000 0.279 366 N C 0.941 176.451 175.510 -0.000 0.000 1.213 366 N CA 0.109 53.165 53.050 0.010 0.000 1.138 366 N CB -0.116 38.378 38.487 0.011 0.000 1.417 366 N HN 0.539 nan 8.380 nan 0.000 0.526 367 G N -0.700 108.103 108.800 0.004 0.000 2.383 367 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.229 367 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.229 367 G C -0.108 174.768 174.900 -0.039 0.000 1.089 367 G CA 0.140 45.234 45.100 -0.009 0.000 0.640 367 G HN 0.509 nan 8.290 nan 0.000 0.510 368 V N 2.143 122.013 119.914 -0.075 0.000 2.540 368 V HA 0.415 4.535 4.120 -0.000 0.000 0.297 368 V C 0.791 176.745 176.094 -0.234 0.000 1.024 368 V CA 1.420 63.599 62.300 -0.203 0.000 1.105 368 V CB 1.208 32.900 31.823 -0.218 0.000 0.938 368 V HN 0.386 nan 8.190 nan 0.000 0.482 369 T N 4.577 118.919 114.554 -0.354 0.000 3.427 369 T HA 0.311 4.661 4.350 -0.000 0.000 0.306 369 T C -0.062 174.325 174.700 -0.521 0.000 1.733 369 T CA -0.294 61.515 62.100 -0.486 0.000 1.599 369 T CB -0.470 68.267 68.868 -0.219 0.000 0.964 369 T HN 0.761 nan 8.240 nan 0.000 0.701 370 H N 1.629 120.439 119.070 -0.435 0.000 2.603 370 H HA 0.613 5.169 4.556 -0.000 0.000 0.370 370 H C 0.566 175.711 175.328 -0.303 0.000 1.225 370 H CA -0.341 55.544 56.048 -0.272 0.000 1.410 370 H CB 0.774 30.443 29.762 -0.155 0.000 1.495 370 H HN 0.214 nan 8.280 nan 0.000 0.602 371 R N 1.544 122.055 120.500 0.018 0.000 2.522 371 R HA 0.162 4.502 4.340 -0.000 0.000 0.273 371 R C -1.294 175.020 176.300 0.023 0.000 1.133 371 R CA -1.087 55.008 56.100 -0.008 0.000 0.969 371 R CB 1.429 31.716 30.300 -0.021 0.000 1.235 371 R HN 0.805 nan 8.270 nan 0.000 0.433 372 N N 2.992 121.714 118.700 0.037 0.000 2.471 372 N HA -0.167 4.573 4.740 -0.000 0.000 0.286 372 N C -1.332 174.197 175.510 0.031 0.000 1.327 372 N CA 1.040 54.111 53.050 0.035 0.000 0.657 372 N CB -0.431 38.068 38.487 0.020 0.000 0.901 372 N HN 0.726 nan 8.380 nan 0.000 0.531 373 Q N -0.616 119.222 119.800 0.063 0.000 2.805 373 Q HA 0.222 4.561 4.340 -0.000 0.000 0.257 373 Q C -2.645 173.433 176.000 0.130 0.000 0.977 373 Q CA -1.015 54.819 55.803 0.053 0.000 0.901 373 Q CB 2.688 31.412 28.738 -0.023 0.000 1.778 373 Q HN 0.142 nan 8.270 nan 0.000 0.441 374 P HA 0.059 nan 4.420 nan 0.000 0.280 374 P C -0.293 176.955 177.300 -0.088 0.000 1.278 374 P CA 0.177 63.377 63.100 0.167 0.000 0.787 374 P CB 0.572 32.344 31.700 0.120 0.000 1.163 375 R N -2.849 117.466 120.500 -0.307 0.000 3.868 375 R HA -0.127 4.213 4.340 -0.000 0.000 0.476 375 R C 0.619 176.649 176.300 -0.450 0.000 0.241 375 R CA 1.193 57.116 56.100 -0.296 0.000 1.496 375 R CB -1.936 28.339 30.300 -0.043 0.000 1.052 375 R HN 0.859 nan 8.270 nan 0.000 0.541 376 G N 0.238 108.852 108.800 -0.309 0.000 5.302 376 G HA2 0.096 4.056 3.960 -0.000 0.000 0.223 376 G HA3 0.096 4.056 3.960 -0.000 0.000 0.223 376 G C -1.165 173.707 174.900 -0.045 0.000 0.832 376 G CA 0.003 44.911 45.100 -0.320 0.000 0.714 376 G HN 0.515 nan 8.290 nan 0.000 0.444 377 D N 0.885 121.236 120.400 -0.083 0.000 2.376 377 D HA 0.125 4.765 4.640 -0.000 0.000 0.278 377 D C -0.148 176.141 176.300 -0.019 0.000 1.384 377 D CA 0.223 54.145 54.000 -0.130 0.000 1.033 377 D CB -0.013 40.742 40.800 -0.075 0.000 1.102 377 D HN 0.053 nan 8.370 nan 0.000 0.530 378 c N 4.414 123.004 118.600 -0.016 0.000 2.647 378 c HA 0.174 4.744 4.570 -0.000 0.000 0.273 378 c C 0.477 174.571 174.090 0.006 0.000 1.088 378 c CA -1.026 55.328 56.329 0.043 0.000 1.529 378 c CB 0.326 42.891 42.510 0.091 0.000 1.810 378 c HN 0.497 nan 8.230 nan 0.000 0.422 379 D N 1.584 121.985 120.400 0.002 0.000 3.008 379 D HA 0.254 4.894 4.640 -0.000 0.000 0.242 379 D C 1.131 177.447 176.300 0.026 0.000 1.222 379 D CA 0.352 54.354 54.000 0.003 0.000 0.883 379 D CB -0.172 40.630 40.800 0.003 0.000 1.110 379 D HN 0.796 nan 8.370 nan 0.000 0.455 380 G N -0.142 108.679 108.800 0.034 0.000 5.084 380 G HA2 0.365 4.325 3.960 -0.000 0.000 0.241 380 G HA3 0.365 4.325 3.960 -0.000 0.000 0.241 380 G C -0.554 174.372 174.900 0.043 0.000 0.918 380 G CA -0.094 45.028 45.100 0.036 0.000 0.754 380 G HN 0.222 nan 8.290 nan 0.000 0.478 381 V N -1.993 117.955 119.914 0.056 0.000 2.851 381 V HA 0.780 4.900 4.120 -0.000 0.000 0.307 381 V C -0.086 176.063 176.094 0.092 0.000 1.129 381 V CA -0.671 61.672 62.300 0.071 0.000 0.932 381 V CB 1.423 33.297 31.823 0.086 0.000 1.024 381 V HN 0.346 nan 8.190 nan 0.000 0.426 382 Q N 4.398 124.248 119.800 0.085 0.000 2.013 382 Q HA 0.484 4.824 4.340 -0.000 0.000 0.158 382 Q C 1.027 177.079 176.000 0.086 0.000 0.517 382 Q CA -0.140 55.718 55.803 0.092 0.000 0.753 382 Q CB 0.797 29.576 28.738 0.069 0.000 1.005 382 Q HN 0.583 nan 8.270 nan 0.000 0.393 383 I N 0.482 121.081 120.570 0.048 0.000 3.284 383 I HA 0.088 4.258 4.170 -0.000 0.000 0.231 383 I C 0.542 176.656 176.117 -0.004 0.000 1.041 383 I CA 0.258 61.571 61.300 0.021 0.000 1.478 383 I CB 0.231 38.233 38.000 0.003 0.000 1.340 383 I HN 0.236 nan 8.210 nan 0.000 0.449 384 N N 0.883 119.575 118.700 -0.013 0.000 2.818 384 N HA 0.267 5.007 4.740 -0.000 0.000 0.301 384 N C -1.534 173.962 175.510 -0.024 0.000 1.821 384 N CA 0.080 53.111 53.050 -0.032 0.000 0.930 384 N CB 0.726 39.192 38.487 -0.035 0.000 1.263 384 N HN -0.085 nan 8.380 nan 0.000 0.487 385 V N 2.567 122.472 119.914 -0.014 0.000 2.445 385 V HA 0.422 4.542 4.120 -0.000 0.000 0.283 385 V C -2.048 174.045 176.094 -0.002 0.000 1.014 385 V CA -1.445 60.850 62.300 -0.007 0.000 0.852 385 V CB 1.753 33.579 31.823 0.006 0.000 1.021 385 V HN 0.262 nan 8.190 nan 0.000 0.435 386 P HA 0.267 nan 4.420 nan 0.000 0.271 386 P C -0.248 177.054 177.300 0.002 0.000 1.233 386 P CA 0.213 63.307 63.100 -0.010 0.000 0.795 386 P CB 0.591 32.276 31.700 -0.025 0.000 0.936 387 I N -4.241 116.331 120.570 0.002 0.000 3.466 387 I HA 0.699 4.869 4.170 -0.000 0.000 0.311 387 I C -1.114 174.888 176.117 -0.193 0.000 1.155 387 I CA -0.866 60.367 61.300 -0.111 0.000 0.959 387 I CB 2.297 40.188 38.000 -0.183 0.000 1.332 387 I HN 0.046 nan 8.210 nan 0.000 0.483 388 T N 1.959 116.288 114.554 -0.374 0.000 3.031 388 T HA 0.570 4.920 4.350 -0.000 0.000 0.305 388 T C -1.219 173.263 174.700 -0.362 0.000 0.985 388 T CA -0.151 61.803 62.100 -0.242 0.000 1.008 388 T CB 0.720 69.547 68.868 -0.069 0.000 1.005 388 T HN 0.378 nan 8.240 nan 0.000 0.444 389 F N 2.144 122.180 119.950 0.144 0.000 2.449 389 F HA 0.463 4.990 4.527 -0.000 0.000 0.342 389 F C 0.612 176.468 175.800 0.094 0.000 1.127 389 F CA -1.002 57.084 58.000 0.142 0.000 0.975 389 F CB 1.851 40.939 39.000 0.146 0.000 1.146 389 F HN 0.349 nan 8.300 nan 0.000 0.444 390 Q N 3.866 123.809 119.800 0.238 0.000 2.456 390 Q HA 0.393 4.733 4.340 -0.000 0.000 0.234 390 Q C -1.211 174.735 176.000 -0.090 0.000 1.061 390 Q CA -0.493 55.345 55.803 0.059 0.000 0.896 390 Q CB 1.052 29.839 28.738 0.080 0.000 1.233 390 Q HN 0.569 nan 8.270 nan 0.000 0.506 391 V N 5.130 124.829 119.914 -0.359 0.000 2.455 391 V HA 0.175 4.295 4.120 -0.000 0.000 0.273 391 V C -0.108 175.570 176.094 -0.694 0.000 1.045 391 V CA -0.022 61.857 62.300 -0.700 0.000 0.976 391 V CB 0.799 31.991 31.823 -1.052 0.000 0.993 391 V HN 0.637 nan 8.190 nan 0.000 0.475 392 K N 4.454 124.593 120.400 -0.436 0.000 2.449 392 K HA 0.556 4.876 4.320 -0.000 0.000 0.257 392 K C -1.130 175.370 176.600 -0.165 0.000 0.989 392 K CA -0.525 55.626 56.287 -0.226 0.000 0.916 392 K CB 1.976 34.398 32.500 -0.130 0.000 1.136 392 K HN 0.455 nan 8.250 nan 0.000 0.439 393 V N 2.973 122.869 119.914 -0.031 0.000 2.370 393 V HA 0.305 4.425 4.120 -0.000 0.000 0.279 393 V C -0.007 176.099 176.094 0.020 0.000 1.029 393 V CA -0.364 61.941 62.300 0.009 0.000 0.870 393 V CB 1.475 33.398 31.823 0.167 0.000 0.984 393 V HN 0.726 nan 8.190 nan 0.000 0.451 394 T N 3.656 118.199 114.554 -0.018 0.000 2.907 394 T HA 0.820 5.170 4.350 -0.000 0.000 0.292 394 T C -0.129 174.563 174.700 -0.013 0.000 1.043 394 T CA -0.355 61.742 62.100 -0.006 0.000 1.003 394 T CB 2.039 70.902 68.868 -0.010 0.000 1.084 394 T HN 0.895 nan 8.240 nan 0.000 0.483 395 A N 0.740 123.558 122.820 -0.005 0.000 2.346 395 A HA 0.782 5.102 4.320 -0.000 0.000 0.313 395 A C 1.155 178.736 177.584 -0.006 0.000 1.140 395 A CA -0.305 51.726 52.037 -0.010 0.000 0.826 395 A CB 1.011 20.007 19.000 -0.007 0.000 1.332 395 A HN 0.903 nan 8.150 nan 0.000 0.457 396 T N -2.218 112.334 114.554 -0.004 0.000 3.042 396 T HA 0.261 4.611 4.350 -0.000 0.000 0.245 396 T C 0.473 175.168 174.700 -0.009 0.000 1.029 396 T CA 0.874 62.979 62.100 0.009 0.000 1.120 396 T CB -0.339 68.552 68.868 0.039 0.000 0.917 396 T HN 0.859 nan 8.240 nan 0.000 0.467 397 E N -0.581 119.611 120.200 -0.014 0.000 2.431 397 E HA 0.500 4.850 4.350 -0.000 0.000 0.268 397 E C -1.241 175.344 176.600 -0.024 0.000 0.953 397 E CA -1.275 55.110 56.400 -0.025 0.000 0.810 397 E CB 0.905 30.593 29.700 -0.019 0.000 1.369 397 E HN 0.001 nan 8.360 nan 0.000 0.440 398 c N 2.927 121.510 118.600 -0.028 0.000 2.551 398 c HA 0.209 4.779 4.570 -0.000 0.000 0.378 398 c C 1.079 175.157 174.090 -0.020 0.000 1.101 398 c CA -0.662 55.652 56.329 -0.024 0.000 1.360 398 c CB -2.782 39.712 42.510 -0.027 0.000 1.895 398 c HN 0.476 nan 8.230 nan 0.000 0.540 399 I N 1.140 121.699 120.570 -0.017 0.000 3.332 399 I HA 0.118 4.288 4.170 -0.000 0.000 0.280 399 I C 0.268 176.375 176.117 -0.017 0.000 1.285 399 I CA 0.089 61.380 61.300 -0.015 0.000 1.347 399 I CB 0.471 38.464 38.000 -0.010 0.000 1.353 399 I HN 0.342 nan 8.210 nan 0.000 0.611 400 Q N 2.240 122.032 119.800 -0.014 0.000 2.222 400 Q HA 0.206 4.546 4.340 -0.000 0.000 0.252 400 Q C -0.558 175.431 176.000 -0.019 0.000 0.926 400 Q CA -0.445 55.348 55.803 -0.017 0.000 0.899 400 Q CB 1.194 29.924 28.738 -0.013 0.000 1.250 400 Q HN 0.646 nan 8.270 nan 0.000 0.441 401 E N 2.523 122.705 120.200 -0.030 0.000 2.585 401 E HA -0.081 4.269 4.350 -0.000 0.000 0.252 401 E C -0.750 175.836 176.600 -0.023 0.000 0.981 401 E CA 0.698 57.074 56.400 -0.041 0.000 0.943 401 E CB 0.373 30.040 29.700 -0.056 0.000 0.923 401 E HN 0.587 nan 8.360 nan 0.000 0.486 402 Q N 1.839 121.632 119.800 -0.011 0.000 2.893 402 Q HA 0.489 4.829 4.340 -0.000 0.000 0.331 402 Q C -1.499 174.514 176.000 0.022 0.000 0.893 402 Q CA -0.986 54.826 55.803 0.014 0.000 0.783 402 Q CB 2.128 30.890 28.738 0.040 0.000 1.440 402 Q HN 0.607 nan 8.270 nan 0.000 0.508 403 S N -0.136 115.597 115.700 0.055 0.000 2.543 403 S HA 0.792 5.262 4.470 -0.000 0.000 0.271 403 S C -1.176 173.497 174.600 0.121 0.000 1.148 403 S CA -0.823 57.390 58.200 0.023 0.000 0.914 403 S CB 0.863 64.031 63.200 -0.054 0.000 1.096 403 S HN 0.616 nan 8.310 nan 0.000 0.471 404 F N 0.550 120.501 119.950 0.001 0.000 2.814 404 F HA 0.947 5.474 4.527 -0.000 0.000 0.353 404 F C -0.944 174.881 175.800 0.042 0.000 1.177 404 F CA -1.216 56.803 58.000 0.032 0.000 1.036 404 F CB 0.876 39.909 39.000 0.055 0.000 1.455 404 F HN 0.706 nan 8.300 nan 0.000 0.520 405 V N -0.556 119.510 119.914 0.253 0.000 2.925 405 V HA 0.655 4.775 4.120 -0.000 0.000 0.311 405 V C -1.181 175.116 176.094 0.339 0.000 1.104 405 V CA -1.017 61.351 62.300 0.113 0.000 0.954 405 V CB 1.743 33.621 31.823 0.091 0.000 1.022 405 V HN 0.868 nan 8.190 nan 0.000 0.427 406 I N 3.600 124.312 120.570 0.237 0.000 2.428 406 I HA 0.540 4.710 4.170 -0.000 0.000 0.279 406 I C 0.315 176.544 176.117 0.188 0.000 1.040 406 I CA -0.356 61.132 61.300 0.314 0.000 1.171 406 I CB 1.089 39.312 38.000 0.372 0.000 1.312 406 I HN 0.657 nan 8.210 nan 0.000 0.470 407 R N 3.610 124.202 120.500 0.154 0.000 2.596 407 R HA 0.774 5.114 4.340 -0.000 0.000 0.267 407 R C -0.145 176.201 176.300 0.078 0.000 1.026 407 R CA -0.782 55.382 56.100 0.106 0.000 1.087 407 R CB 1.528 31.881 30.300 0.089 0.000 1.132 407 R HN 0.608 nan 8.270 nan 0.000 0.531 408 A N 2.658 125.540 122.820 0.103 0.000 2.252 408 A HA 0.302 4.622 4.320 -0.000 0.000 0.309 408 A C 0.139 177.936 177.584 0.355 0.000 1.285 408 A CA -0.636 51.488 52.037 0.145 0.000 0.900 408 A CB 0.144 19.105 19.000 -0.066 0.000 1.157 408 A HN 0.606 nan 8.150 nan 0.000 0.536 409 L N 2.350 123.700 121.223 0.212 0.000 2.667 409 L HA 0.175 4.515 4.340 -0.000 0.000 0.278 409 L C 1.411 178.316 176.870 0.058 0.000 1.217 409 L CA 1.358 56.231 54.840 0.054 0.000 0.935 409 L CB -0.257 41.679 42.059 -0.205 0.000 1.193 409 L HN 1.207 nan 8.230 nan 0.000 0.493 410 G N 3.047 111.759 108.800 -0.146 0.000 2.142 410 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.225 410 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.225 410 G C -0.408 173.996 174.900 -0.826 0.000 1.015 410 G CA -0.536 44.292 45.100 -0.454 0.000 0.716 410 G HN 0.473 nan 8.290 nan 0.000 0.508 411 F N -1.029 118.923 119.950 0.004 0.000 2.608 411 F HA 0.508 5.035 4.527 -0.000 0.000 0.309 411 F C 1.174 176.972 175.800 -0.003 0.000 1.103 411 F CA -0.278 57.735 58.000 0.022 0.000 0.954 411 F CB 1.674 40.717 39.000 0.072 0.000 1.267 411 F HN 0.104 nan 8.300 nan 0.000 0.444 412 T N -3.462 111.186 114.554 0.156 0.000 3.113 412 T HA 0.032 4.382 4.350 -0.000 0.000 0.256 412 T C 0.058 174.807 174.700 0.081 0.000 1.131 412 T CA 0.093 62.233 62.100 0.067 0.000 1.074 412 T CB -0.505 68.372 68.868 0.014 0.000 0.944 412 T HN 0.300 nan 8.240 nan 0.000 0.516 413 D N 2.121 122.599 120.400 0.131 0.000 2.348 413 D HA 0.291 4.931 4.640 -0.000 0.000 0.259 413 D C -0.156 176.199 176.300 0.091 0.000 1.296 413 D CA -0.050 54.012 54.000 0.104 0.000 0.931 413 D CB 0.214 41.089 40.800 0.124 0.000 1.067 413 D HN 0.496 nan 8.370 nan 0.000 0.503 414 I N 2.007 122.614 120.570 0.063 0.000 2.371 414 I HA 0.105 4.275 4.170 -0.000 0.000 0.290 414 I C 0.054 176.196 176.117 0.042 0.000 1.028 414 I CA -0.727 60.603 61.300 0.051 0.000 1.345 414 I CB 1.272 39.291 38.000 0.032 0.000 1.407 414 I HN -0.044 nan 8.210 nan 0.000 0.501 415 V N 5.549 125.488 119.914 0.043 0.000 2.294 415 V HA 0.127 4.247 4.120 -0.000 0.000 0.272 415 V C 0.315 176.380 176.094 -0.048 0.000 1.027 415 V CA -0.520 61.791 62.300 0.018 0.000 0.823 415 V CB 0.930 32.787 31.823 0.056 0.000 1.030 415 V HN 0.726 nan 8.190 nan 0.000 0.457 416 T N 4.907 119.419 114.554 -0.071 0.000 2.961 416 T HA 0.153 4.503 4.350 -0.000 0.000 0.270 416 T C 0.242 174.806 174.700 -0.226 0.000 0.926 416 T CA 0.034 62.057 62.100 -0.129 0.000 1.112 416 T CB 0.048 68.864 68.868 -0.087 0.000 0.926 416 T HN 0.342 nan 8.240 nan 0.000 0.612 417 V N 5.169 124.841 119.914 -0.403 0.000 2.372 417 V HA 0.178 4.298 4.120 -0.000 0.000 0.261 417 V C 0.644 176.400 176.094 -0.563 0.000 1.055 417 V CA -0.585 61.372 62.300 -0.572 0.000 0.930 417 V CB 0.649 31.936 31.823 -0.894 0.000 1.031 417 V HN 0.762 nan 8.190 nan 0.000 0.479 418 Q N 3.918 123.510 119.800 -0.347 0.000 2.340 418 Q HA 0.526 4.866 4.340 -0.000 0.000 0.249 418 Q C -1.196 174.671 176.000 -0.221 0.000 0.957 418 Q CA -0.285 55.371 55.803 -0.244 0.000 0.882 418 Q CB 1.625 30.252 28.738 -0.185 0.000 1.235 418 Q HN 0.564 nan 8.270 nan 0.000 0.439 419 V N 5.168 124.998 119.914 -0.139 0.000 2.577 419 V HA 0.397 4.516 4.120 -0.000 0.000 0.303 419 V C -0.786 175.227 176.094 -0.135 0.000 1.042 419 V CA -0.673 61.575 62.300 -0.086 0.000 0.872 419 V CB 1.705 33.568 31.823 0.066 0.000 0.998 419 V HN 0.705 nan 8.190 nan 0.000 0.423 420 L N 6.327 127.421 121.223 -0.214 0.000 2.343 420 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 420 L C -2.566 174.208 176.870 -0.159 0.000 0.996 420 L CA -1.848 52.834 54.840 -0.265 0.000 0.831 420 L CB 2.333 44.043 42.059 -0.582 0.000 1.232 420 L HN 0.390 nan 8.230 nan 0.000 0.413 421 P HA -0.051 nan 4.420 nan 0.000 0.257 421 P C -0.702 176.579 177.300 -0.030 0.000 1.227 421 P CA 0.232 63.304 63.100 -0.047 0.000 0.981 421 P CB 0.104 31.781 31.700 -0.038 0.000 1.044 422 Q N 3.078 122.877 119.800 -0.001 0.000 2.406 422 Q HA 0.296 4.636 4.340 -0.000 0.000 0.242 422 Q C -1.139 174.875 176.000 0.022 0.000 1.036 422 Q CA -0.223 55.605 55.803 0.043 0.000 0.904 422 Q CB 0.145 28.953 28.738 0.116 0.000 1.244 422 Q HN 0.383 nan 8.270 nan 0.000 0.478 423 c N 4.927 123.532 118.600 0.008 0.000 3.432 423 c HA 0.465 5.035 4.570 -0.000 0.000 0.242 423 c C -0.904 173.175 174.090 -0.018 0.000 1.152 423 c CA -0.635 55.688 56.329 -0.010 0.000 1.242 423 c CB -0.006 42.492 42.510 -0.020 0.000 1.802 423 c HN 0.783 nan 8.230 nan 0.000 0.577 424 E N 0.295 120.486 120.200 -0.016 0.000 2.439 424 E HA 0.644 4.994 4.350 -0.000 0.000 0.279 424 E C -1.099 175.484 176.600 -0.028 0.000 1.077 424 E CA -0.202 56.184 56.400 -0.024 0.000 0.849 424 E CB 1.877 31.571 29.700 -0.009 0.000 1.408 424 E HN 0.656 nan 8.360 nan 0.000 0.457 425 c N -0.606 117.973 118.600 -0.036 0.000 3.302 425 c HA 0.824 5.394 4.570 -0.000 0.000 0.347 425 c C -1.108 172.964 174.090 -0.031 0.000 1.218 425 c CA -0.870 55.435 56.329 -0.041 0.000 1.234 425 c CB 1.996 44.458 42.510 -0.080 0.000 1.551 425 c HN 0.713 nan 8.230 nan 0.000 0.501 426 R N 1.248 121.738 120.500 -0.016 0.000 2.510 426 R HA 0.649 4.989 4.340 -0.000 0.000 0.287 426 R C -0.537 175.770 176.300 0.012 0.000 1.084 426 R CA -0.266 55.833 56.100 -0.001 0.000 0.934 426 R CB 1.830 32.131 30.300 0.001 0.000 1.201 426 R HN 1.029 nan 8.270 nan 0.000 0.431 427 c N 1.679 120.293 118.600 0.023 0.000 2.756 427 c HA 0.512 5.082 4.570 -0.000 0.000 0.318 427 c C 0.055 174.164 174.090 0.032 0.000 1.888 427 c CA -0.036 56.313 56.329 0.033 0.000 2.168 427 c CB 0.653 43.194 42.510 0.051 0.000 1.758 427 c HN 0.691 nan 8.230 nan 0.000 0.722 428 R N 0.510 121.035 120.500 0.042 0.000 2.709 428 R HA 0.328 4.668 4.340 -0.000 0.000 0.270 428 R C -2.000 174.338 176.300 0.064 0.000 1.038 428 R CA -0.215 55.914 56.100 0.048 0.000 0.872 428 R CB 1.520 31.852 30.300 0.053 0.000 1.259 428 R HN 0.463 nan 8.270 nan 0.000 0.473 429 D N 0.346 120.780 120.400 0.057 0.000 2.538 429 D HA 0.156 4.795 4.640 -0.000 0.000 0.262 429 D C 0.143 176.501 176.300 0.098 0.000 1.186 429 D CA -0.464 53.577 54.000 0.068 0.000 1.090 429 D CB 0.293 41.110 40.800 0.029 0.000 1.187 429 D HN 0.255 nan 8.370 nan 0.000 0.614 430 Q N -0.881 118.975 119.800 0.094 0.000 2.228 430 Q HA 0.248 4.588 4.340 -0.000 0.000 0.211 430 Q C 0.546 176.586 176.000 0.067 0.000 0.890 430 Q CA 0.065 55.940 55.803 0.120 0.000 0.953 430 Q CB 0.279 29.101 28.738 0.139 0.000 1.053 430 Q HN 0.442 nan 8.270 nan 0.000 0.471 431 S N -2.125 113.605 115.700 0.050 0.000 2.691 431 S HA 0.232 4.702 4.470 -0.000 0.000 0.258 431 S C 0.721 175.336 174.600 0.026 0.000 1.078 431 S CA -0.509 57.711 58.200 0.033 0.000 1.000 431 S CB 0.270 63.486 63.200 0.028 0.000 0.942 431 S HN 0.086 nan 8.310 nan 0.000 0.521 432 R N 3.157 123.674 120.500 0.028 0.000 2.442 432 R HA 0.277 4.617 4.340 -0.000 0.000 0.291 432 R C -0.880 175.432 176.300 0.020 0.000 1.069 432 R CA 0.393 56.507 56.100 0.023 0.000 1.022 432 R CB -1.252 29.063 30.300 0.025 0.000 0.976 432 R HN 0.321 nan 8.270 nan 0.000 0.443 433 D N 2.552 122.960 120.400 0.013 0.000 2.803 433 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 433 D C 0.559 176.859 176.300 -0.000 0.000 1.182 433 D CA 0.606 54.609 54.000 0.005 0.000 0.726 433 D CB -0.404 40.397 40.800 0.001 0.000 0.987 433 D HN 0.493 nan 8.370 nan 0.000 0.412 434 R N 0.704 121.208 120.500 0.007 0.000 2.237 434 R HA -0.066 4.274 4.340 -0.000 0.000 0.219 434 R C 1.768 178.066 176.300 -0.002 0.000 1.080 434 R CA 1.683 57.785 56.100 0.003 0.000 0.995 434 R CB -0.103 30.206 30.300 0.014 0.000 0.875 434 R HN 0.407 nan 8.270 nan 0.000 0.462 435 S N 0.822 116.525 115.700 0.004 0.000 2.404 435 S HA -0.154 4.316 4.470 -0.000 0.000 0.216 435 S C 0.929 175.523 174.600 -0.010 0.000 1.039 435 S CA 0.788 58.998 58.200 0.018 0.000 1.062 435 S CB -1.003 62.209 63.200 0.020 0.000 1.046 435 S HN 0.296 nan 8.310 nan 0.000 0.415 436 L N 1.951 123.148 121.223 -0.045 0.000 2.919 436 L HA -0.046 4.294 4.340 -0.000 0.000 0.289 436 L C 0.337 177.079 176.870 -0.213 0.000 1.050 436 L CA -0.281 54.484 54.840 -0.125 0.000 1.071 436 L CB -1.335 40.678 42.059 -0.078 0.000 1.499 436 L HN 0.740 nan 8.230 nan 0.000 0.443 437 c N 0.010 118.329 118.600 -0.468 0.000 6.223 437 c HA -0.118 4.452 4.570 -0.000 0.000 0.206 437 c C 0.782 174.624 174.090 -0.414 0.000 1.089 437 c CA -0.003 56.017 56.329 -0.516 0.000 0.936 437 c CB -1.337 41.031 42.510 -0.238 0.000 2.291 437 c HN 1.075 nan 8.230 nan 0.000 0.701 438 H N -1.345 117.686 119.070 -0.065 0.000 3.099 438 H HA 0.057 4.613 4.556 -0.000 0.000 0.259 438 H C 1.237 176.492 175.328 -0.121 0.000 1.283 438 H CA 0.752 56.753 56.048 -0.079 0.000 1.139 438 H CB -1.383 28.332 29.762 -0.079 0.000 1.254 438 H HN 1.522 nan 8.280 nan 0.000 0.370 439 G N 0.265 109.061 108.800 -0.006 0.000 2.377 439 G HA2 -0.392 3.567 3.960 -0.000 0.000 0.250 439 G HA3 -0.392 3.567 3.960 -0.000 0.000 0.250 439 G C 0.696 175.540 174.900 -0.093 0.000 1.039 439 G CA 0.748 45.827 45.100 -0.036 0.000 0.625 439 G HN 0.266 nan 8.290 nan 0.000 0.526 440 K N 1.716 121.988 120.400 -0.213 0.000 2.997 440 K HA 0.574 4.894 4.320 -0.000 0.000 0.249 440 K C 0.633 177.118 176.600 -0.191 0.000 1.284 440 K CA 0.601 56.676 56.287 -0.354 0.000 1.245 440 K CB 0.197 32.024 32.500 -1.121 0.000 1.670 440 K HN 1.276 nan 8.250 nan 0.000 0.385 441 G N 0.777 109.548 108.800 -0.049 0.000 2.340 441 G HA2 0.304 4.264 3.960 -0.000 0.000 0.298 441 G HA3 0.304 4.264 3.960 -0.000 0.000 0.298 441 G C -1.243 173.694 174.900 0.061 0.000 1.498 441 G CA -1.073 44.025 45.100 -0.003 0.000 0.847 441 G HN 0.132 nan 8.290 nan 0.000 0.594 442 F N -0.786 119.155 119.950 -0.015 0.000 2.518 442 F HA 0.926 5.453 4.527 -0.000 0.000 0.338 442 F C -0.343 175.452 175.800 -0.007 0.000 1.065 442 F CA -1.596 56.397 58.000 -0.011 0.000 1.012 442 F CB 1.732 40.729 39.000 -0.005 0.000 1.297 442 F HN 0.523 nan 8.300 nan 0.000 0.489 443 L N 1.292 122.600 121.223 0.142 0.000 2.362 443 L HA 0.618 4.958 4.340 -0.000 0.000 0.271 443 L C -1.495 175.457 176.870 0.136 0.000 1.002 443 L CA -0.557 54.304 54.840 0.036 0.000 0.818 443 L CB 1.877 43.955 42.059 0.033 0.000 1.298 443 L HN 0.860 nan 8.230 nan 0.000 0.420 444 E N 3.893 124.139 120.200 0.076 0.000 2.343 444 E HA 0.295 4.645 4.350 -0.000 0.000 0.260 444 E C -0.736 175.917 176.600 0.088 0.000 0.908 444 E CA -0.404 56.058 56.400 0.104 0.000 0.814 444 E CB 0.956 30.737 29.700 0.135 0.000 1.302 444 E HN 0.736 nan 8.360 nan 0.000 0.408 445 c N 4.249 122.905 118.600 0.094 0.000 3.896 445 c HA 0.069 4.639 4.570 -0.000 0.000 0.300 445 c C 1.487 175.677 174.090 0.167 0.000 1.322 445 c CA 1.205 57.614 56.329 0.132 0.000 2.130 445 c CB -2.285 40.331 42.510 0.176 0.000 1.363 445 c HN 1.288 nan 8.230 nan 0.000 0.642 446 G N 0.425 109.286 108.800 0.103 0.000 4.794 446 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.275 446 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.275 446 G C 0.219 175.161 174.900 0.069 0.000 1.648 446 G CA 0.381 45.531 45.100 0.084 0.000 1.154 446 G HN 1.902 nan 8.290 nan 0.000 0.680 447 I N 0.478 121.116 120.570 0.114 0.000 3.205 447 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 447 I C 0.341 176.445 176.117 -0.021 0.000 1.266 447 I CA -0.154 61.188 61.300 0.069 0.000 1.378 447 I CB 0.170 38.261 38.000 0.153 0.000 1.347 447 I HN 0.463 nan 8.210 nan 0.000 0.603 448 c N 3.670 122.217 118.600 -0.088 0.000 2.369 448 c HA 0.510 5.080 4.570 -0.000 0.000 0.322 448 c C 0.146 174.051 174.090 -0.309 0.000 1.258 448 c CA -0.698 55.502 56.329 -0.214 0.000 1.487 448 c CB 0.657 43.058 42.510 -0.181 0.000 2.165 448 c HN 0.725 nan 8.230 nan 0.000 0.483 449 R N 1.963 122.088 120.500 -0.625 0.000 2.205 449 R HA 0.436 4.776 4.340 -0.000 0.000 0.342 449 R C -0.261 175.684 176.300 -0.593 0.000 1.058 449 R CA -0.259 55.470 56.100 -0.618 0.000 0.904 449 R CB 0.359 30.224 30.300 -0.725 0.000 1.089 449 R HN 0.743 nan 8.270 nan 0.000 0.471 450 c N 1.733 120.205 118.600 -0.213 0.000 2.560 450 c HA 0.172 4.742 4.570 -0.000 0.000 0.334 450 c C 1.007 175.147 174.090 0.083 0.000 1.404 450 c CA -0.752 55.548 56.329 -0.049 0.000 2.410 450 c CB 0.240 42.778 42.510 0.046 0.000 2.268 450 c HN 0.694 nan 8.230 nan 0.000 0.673 451 D N 0.410 120.923 120.400 0.189 0.000 2.376 451 D HA 0.158 4.798 4.640 -0.000 0.000 0.268 451 D C 1.479 177.878 176.300 0.164 0.000 1.252 451 D CA 0.278 54.411 54.000 0.222 0.000 1.041 451 D CB -0.221 40.760 40.800 0.301 0.000 1.109 451 D HN 0.739 nan 8.370 nan 0.000 0.552 452 T N -3.072 111.559 114.554 0.128 0.000 2.788 452 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 452 T C 1.684 176.400 174.700 0.026 0.000 1.044 452 T CA 1.099 63.241 62.100 0.069 0.000 1.139 452 T CB -0.503 68.396 68.868 0.051 0.000 0.867 452 T HN 0.440 nan 8.240 nan 0.000 0.454 453 G N -0.887 107.906 108.800 -0.011 0.000 2.921 453 G HA2 0.332 4.292 3.960 -0.000 0.000 0.213 453 G HA3 0.332 4.292 3.960 -0.000 0.000 0.213 453 G C -0.191 174.536 174.900 -0.287 0.000 1.143 453 G CA -0.482 44.512 45.100 -0.177 0.000 0.764 453 G HN 0.513 nan 8.290 nan 0.000 0.542 454 Y N 0.127 120.444 120.300 0.029 0.000 2.387 454 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 454 Y C 0.060 175.968 175.900 0.013 0.000 1.067 454 Y CA -1.029 57.087 58.100 0.026 0.000 1.114 454 Y CB 1.820 40.299 38.460 0.032 0.000 1.208 454 Y HN -0.170 nan 8.280 nan 0.000 0.458 455 I N 1.253 121.920 120.570 0.162 0.000 3.006 455 I HA 0.750 4.920 4.170 -0.000 0.000 0.306 455 I C 0.052 176.212 176.117 0.071 0.000 1.250 455 I CA -0.719 60.631 61.300 0.083 0.000 0.996 455 I CB 1.835 39.862 38.000 0.046 0.000 1.261 455 I HN 0.720 nan 8.210 nan 0.000 0.442 456 G N 3.542 112.362 108.800 0.033 0.000 2.362 456 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.656 456 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.656 456 G C -0.040 174.855 174.900 -0.009 0.000 1.376 456 G CA -0.210 44.901 45.100 0.019 0.000 0.971 456 G HN 0.872 nan 8.290 nan 0.000 0.636 457 K N -0.980 119.412 120.400 -0.015 0.000 2.555 457 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 457 K C 0.560 177.122 176.600 -0.062 0.000 1.032 457 K CA 1.160 57.431 56.287 -0.026 0.000 1.004 457 K CB 0.152 32.644 32.500 -0.013 0.000 0.804 457 K HN 0.245 nan 8.250 nan 0.000 0.496 458 N N 0.331 118.979 118.700 -0.087 0.000 2.471 458 N HA 0.085 4.824 4.740 -0.000 0.000 0.270 458 N C -0.851 174.530 175.510 -0.216 0.000 1.490 458 N CA -0.127 52.809 53.050 -0.190 0.000 0.850 458 N CB 0.575 38.906 38.487 -0.260 0.000 1.411 458 N HN 0.173 nan 8.380 nan 0.000 0.488 459 c N 2.137 120.687 118.600 -0.083 0.000 4.185 459 c HA -0.151 4.419 4.570 -0.000 0.000 0.297 459 c C 2.078 176.235 174.090 0.112 0.000 1.463 459 c CA 1.282 57.610 56.329 -0.002 0.000 2.032 459 c CB -1.703 40.758 42.510 -0.082 0.000 1.282 459 c HN 0.591 nan 8.230 nan 0.000 0.770 460 E N -0.524 119.770 120.200 0.157 0.000 2.075 460 E HA -0.033 4.317 4.350 -0.000 0.000 0.190 460 E C 0.979 177.719 176.600 0.234 0.000 0.969 460 E CA 0.980 57.606 56.400 0.377 0.000 0.815 460 E CB -0.380 29.537 29.700 0.362 0.000 0.776 460 E HN 0.688 nan 8.360 nan 0.000 0.457 461 c N 1.747 120.444 118.600 0.162 0.000 2.595 461 c HA 0.413 4.983 4.570 -0.000 0.000 0.384 461 c C 0.471 174.652 174.090 0.151 0.000 1.289 461 c CA -0.437 55.966 56.329 0.123 0.000 2.372 461 c CB 0.634 43.190 42.510 0.077 0.000 2.593 461 c HN 0.512 nan 8.230 nan 0.000 0.639 462 Q N -0.096 119.760 119.800 0.093 0.000 2.306 462 Q HA 0.368 4.708 4.340 -0.000 0.000 0.269 462 Q C 0.552 176.543 176.000 -0.016 0.000 1.053 462 Q CA -0.270 55.547 55.803 0.023 0.000 0.879 462 Q CB 1.401 30.114 28.738 -0.041 0.000 1.344 462 Q HN 0.828 nan 8.270 nan 0.000 0.464 463 T N -0.705 113.808 114.554 -0.069 0.000 3.380 463 T HA 0.164 4.514 4.350 -0.000 0.000 0.250 463 T C -0.078 174.596 174.700 -0.043 0.000 1.082 463 T CA 0.113 62.187 62.100 -0.044 0.000 0.968 463 T CB -0.085 68.752 68.868 -0.051 0.000 1.027 463 T HN 0.498 nan 8.240 nan 0.000 0.575 464 Q N 0.904 120.679 119.800 -0.041 0.000 3.484 464 Q HA 0.503 4.843 4.340 -0.000 0.000 0.255 464 Q C -0.262 175.732 176.000 -0.011 0.000 0.909 464 Q CA -0.754 55.033 55.803 -0.028 0.000 0.774 464 Q CB 1.203 29.916 28.738 -0.042 0.000 1.431 464 Q HN 0.601 nan 8.270 nan 0.000 0.423 465 G N 2.283 111.083 108.800 -0.001 0.000 2.768 465 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.666 465 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.666 465 G C -0.928 173.979 174.900 0.011 0.000 1.162 465 G CA -0.923 44.181 45.100 0.005 0.000 1.226 465 G HN 0.250 nan 8.290 nan 0.000 0.535 466 R N 0.077 120.585 120.500 0.014 0.000 2.634 466 R HA 0.791 5.131 4.340 -0.000 0.000 0.263 466 R C -0.715 175.595 176.300 0.017 0.000 1.060 466 R CA -0.348 55.762 56.100 0.018 0.000 0.898 466 R CB 2.240 32.554 30.300 0.023 0.000 1.253 466 R HN 1.110 nan 8.270 nan 0.000 0.461 467 S N 0.062 115.772 115.700 0.017 0.000 2.686 467 S HA 0.467 4.937 4.470 -0.000 0.000 0.273 467 S C -1.241 173.367 174.600 0.014 0.000 1.060 467 S CA -0.988 57.221 58.200 0.016 0.000 0.845 467 S CB 1.744 64.954 63.200 0.016 0.000 1.086 467 S HN 0.538 nan 8.310 nan 0.000 0.461 468 S N 0.024 115.733 115.700 0.014 0.000 2.840 468 S HA 0.521 4.991 4.470 -0.000 0.000 0.307 468 S C 0.634 175.241 174.600 0.012 0.000 1.180 468 S CA -0.733 57.474 58.200 0.012 0.000 0.846 468 S CB 1.760 64.967 63.200 0.012 0.000 1.233 468 S HN 0.845 nan 8.310 nan 0.000 0.548 469 Q N 0.790 120.596 119.800 0.010 0.000 1.940 469 Q HA 0.165 4.505 4.340 -0.000 0.000 0.200 469 Q C 0.728 176.735 176.000 0.011 0.000 0.977 469 Q CA 1.107 56.916 55.803 0.010 0.000 0.841 469 Q CB -0.209 28.534 28.738 0.008 0.000 0.901 469 Q HN 0.677 nan 8.270 nan 0.000 0.446 470 E N 0.450 120.656 120.200 0.010 0.000 2.445 470 E HA 0.050 4.400 4.350 -0.000 0.000 0.189 470 E C 1.625 178.233 176.600 0.012 0.000 1.069 470 E CA -0.223 56.183 56.400 0.011 0.000 0.871 470 E CB 0.245 29.950 29.700 0.008 0.000 0.991 470 E HN 0.458 nan 8.360 nan 0.000 0.481 471 L N 0.472 121.702 121.223 0.012 0.000 2.275 471 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 471 L C 1.364 178.244 176.870 0.015 0.000 1.119 471 L CA 1.024 55.871 54.840 0.012 0.000 0.790 471 L CB -0.172 41.894 42.059 0.011 0.000 0.919 471 L HN 0.109 nan 8.230 nan 0.000 0.443 472 E N 0.009 120.220 120.200 0.019 0.000 2.438 472 E HA -0.021 4.329 4.350 -0.000 0.000 0.192 472 E C 1.785 178.408 176.600 0.039 0.000 1.110 472 E CA 0.227 56.643 56.400 0.028 0.000 0.893 472 E CB 0.071 29.786 29.700 0.025 0.000 0.990 472 E HN 0.468 nan 8.360 nan 0.000 0.490 473 G N 1.175 109.995 108.800 0.035 0.000 2.547 473 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.214 473 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.214 473 G C 1.417 176.362 174.900 0.075 0.000 1.254 473 G CA 0.372 45.497 45.100 0.041 0.000 0.817 473 G HN 0.300 nan 8.290 nan 0.000 0.551 474 S N -0.913 114.829 115.700 0.071 0.000 2.727 474 S HA -0.032 4.438 4.470 -0.000 0.000 0.226 474 S C 1.768 176.453 174.600 0.141 0.000 0.963 474 S CA 0.593 58.864 58.200 0.118 0.000 0.950 474 S CB -0.775 62.449 63.200 0.040 0.000 0.779 474 S HN 0.403 nan 8.310 nan 0.000 0.532 475 c N 2.058 120.732 118.600 0.123 0.000 2.618 475 c HA 0.359 4.929 4.570 -0.000 0.000 0.264 475 c C 0.918 175.178 174.090 0.282 0.000 1.334 475 c CA -0.418 55.978 56.329 0.111 0.000 1.731 475 c CB -1.303 41.238 42.510 0.052 0.000 1.852 475 c HN 0.691 nan 8.230 nan 0.000 0.566 476 R N -0.026 120.655 120.500 0.302 0.000 2.575 476 R HA 0.402 4.742 4.340 -0.000 0.000 0.293 476 R C 0.833 177.073 176.300 -0.100 0.000 0.983 476 R CA -0.570 55.629 56.100 0.165 0.000 0.887 476 R CB 0.743 31.069 30.300 0.043 0.000 1.184 476 R HN 0.256 nan 8.270 nan 0.000 0.445 477 K N 0.887 120.847 120.400 -0.733 0.000 2.044 477 K HA -0.179 4.141 4.320 -0.000 0.000 0.210 477 K C -0.354 176.037 176.600 -0.348 0.000 1.049 477 K CA 1.798 57.486 56.287 -0.999 0.000 0.927 477 K CB -0.325 31.604 32.500 -0.952 0.000 0.713 477 K HN 0.797 nan 8.250 nan 0.000 0.443 478 D N -1.392 118.877 120.400 -0.218 0.000 2.652 478 D HA 0.120 4.760 4.640 -0.000 0.000 0.285 478 D C -0.192 176.066 176.300 -0.070 0.000 1.173 478 D CA -0.913 53.019 54.000 -0.113 0.000 0.981 478 D CB 0.392 41.130 40.800 -0.103 0.000 1.440 478 D HN -0.041 nan 8.370 nan 0.000 0.485 479 N N -0.210 118.463 118.700 -0.045 0.000 2.309 479 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 479 N C 0.072 175.565 175.510 -0.027 0.000 1.018 479 N CA 0.685 53.718 53.050 -0.028 0.000 0.876 479 N CB -0.530 37.945 38.487 -0.020 0.000 0.972 479 N HN 0.321 nan 8.380 nan 0.000 0.434 480 N N -0.485 118.194 118.700 -0.036 0.000 2.376 480 N HA 0.085 4.825 4.740 -0.000 0.000 0.249 480 N C -0.878 174.608 175.510 -0.039 0.000 1.140 480 N CA -0.045 52.986 53.050 -0.032 0.000 0.870 480 N CB 0.482 38.952 38.487 -0.028 0.000 1.124 480 N HN 0.068 nan 8.380 nan 0.000 0.505 481 S N 0.036 115.708 115.700 -0.048 0.000 2.513 481 S HA 0.492 4.962 4.470 -0.000 0.000 0.299 481 S C -0.164 174.417 174.600 -0.031 0.000 1.087 481 S CA -0.855 57.312 58.200 -0.055 0.000 1.012 481 S CB 1.005 64.144 63.200 -0.102 0.000 1.044 481 S HN 0.248 nan 8.310 nan 0.000 0.485 482 I N 4.759 125.317 120.570 -0.021 0.000 2.754 482 I HA 0.280 4.450 4.170 -0.000 0.000 0.285 482 I C -0.093 176.030 176.117 0.010 0.000 1.166 482 I CA -0.579 60.719 61.300 -0.003 0.000 1.417 482 I CB 0.431 38.432 38.000 0.001 0.000 1.382 482 I HN 0.663 nan 8.210 nan 0.000 0.588 483 I N 7.056 127.639 120.570 0.022 0.000 2.683 483 I HA -0.101 4.069 4.170 -0.000 0.000 0.286 483 I C 1.030 177.171 176.117 0.040 0.000 1.175 483 I CA -0.013 61.310 61.300 0.039 0.000 1.429 483 I CB 0.023 38.042 38.000 0.033 0.000 1.371 483 I HN 0.866 nan 8.210 nan 0.000 0.569 484 c N 4.360 123.002 118.600 0.071 0.000 4.297 484 c HA -0.227 4.343 4.570 -0.000 0.000 0.290 484 c C 1.425 175.533 174.090 0.031 0.000 1.444 484 c CA 0.647 57.005 56.329 0.048 0.000 1.982 484 c CB -3.284 39.207 42.510 -0.032 0.000 1.276 484 c HN 1.077 nan 8.230 nan 0.000 0.797 485 S N -1.577 114.147 115.700 0.041 0.000 3.477 485 S HA -0.024 4.446 4.470 -0.000 0.000 0.357 485 S C 1.103 175.705 174.600 0.003 0.000 1.083 485 S CA 1.363 59.570 58.200 0.012 0.000 1.042 485 S CB -1.545 61.661 63.200 0.010 0.000 0.911 485 S HN 2.625 nan 8.310 nan 0.000 0.490 486 G N 0.270 109.077 108.800 0.012 0.000 2.907 486 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.242 486 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.242 486 G C 0.092 175.003 174.900 0.018 0.000 1.448 486 G CA -0.345 44.773 45.100 0.031 0.000 0.911 486 G HN 1.521 nan 8.290 nan 0.000 0.553 487 L N -2.161 119.126 121.223 0.107 0.000 3.839 487 L HA -0.079 4.261 4.340 -0.000 0.000 0.416 487 L C 1.005 177.712 176.870 -0.273 0.000 1.195 487 L CA 1.113 56.048 54.840 0.157 0.000 0.946 487 L CB -1.899 40.199 42.059 0.065 0.000 1.891 487 L HN 2.261 nan 8.230 nan 0.000 0.963 488 G N 0.113 108.545 108.800 -0.613 0.000 2.617 488 G HA2 0.503 4.462 3.960 -0.000 0.000 0.305 488 G HA3 0.503 4.462 3.960 -0.000 0.000 0.305 488 G C -1.407 173.245 174.900 -0.413 0.000 1.436 488 G CA -0.362 44.270 45.100 -0.780 0.000 1.036 488 G HN 0.187 nan 8.290 nan 0.000 0.589 489 D N 0.178 120.389 120.400 -0.315 0.000 2.280 489 D HA 0.440 5.080 4.640 -0.000 0.000 0.236 489 D C 0.359 176.640 176.300 -0.031 0.000 1.082 489 D CA -0.681 53.308 54.000 -0.019 0.000 0.834 489 D CB 1.504 42.395 40.800 0.151 0.000 1.100 489 D HN 0.424 nan 8.370 nan 0.000 0.486 490 c N 3.086 121.678 118.600 -0.012 0.000 2.632 490 c HA 0.550 5.120 4.570 -0.000 0.000 0.415 490 c C -0.273 173.818 174.090 0.001 0.000 1.332 490 c CA -0.066 56.255 56.329 -0.012 0.000 1.874 490 c CB -0.863 41.648 42.510 0.001 0.000 2.596 490 c HN 0.504 nan 8.230 nan 0.000 0.590 491 V N 6.296 126.208 119.914 -0.004 0.000 2.612 491 V HA 0.364 4.484 4.120 -0.000 0.000 0.301 491 V C 0.263 176.360 176.094 0.005 0.000 1.059 491 V CA -0.613 61.691 62.300 0.007 0.000 0.886 491 V CB 1.229 33.059 31.823 0.012 0.000 1.007 491 V HN 1.152 nan 8.190 nan 0.000 0.426 492 c N 5.018 123.625 118.600 0.011 0.000 4.209 492 c HA -0.077 4.492 4.570 -0.000 0.000 0.305 492 c C 1.820 175.911 174.090 0.001 0.000 1.339 492 c CA 1.574 57.911 56.329 0.012 0.000 2.062 492 c CB -1.861 40.661 42.510 0.021 0.000 1.307 492 c HN 2.058 nan 8.230 nan 0.000 0.706 493 G N -0.353 108.446 108.800 -0.002 0.000 2.900 493 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.223 493 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.223 493 G C 0.088 174.970 174.900 -0.030 0.000 1.293 493 G CA 1.234 46.328 45.100 -0.009 0.000 0.792 493 G HN 1.276 nan 8.290 nan 0.000 0.527 494 Q N 0.286 120.060 119.800 -0.043 0.000 2.222 494 Q HA 0.685 5.025 4.340 -0.000 0.000 0.211 494 Q C -0.178 175.778 176.000 -0.073 0.000 1.013 494 Q CA -0.377 55.378 55.803 -0.080 0.000 0.993 494 Q CB 1.190 29.886 28.738 -0.071 0.000 1.151 494 Q HN 0.412 nan 8.270 nan 0.000 0.544 495 c N 0.651 119.190 118.600 -0.102 0.000 2.435 495 c HA 0.582 5.152 4.570 -0.000 0.000 0.333 495 c C -0.756 173.285 174.090 -0.083 0.000 1.202 495 c CA -0.714 55.561 56.329 -0.090 0.000 1.830 495 c CB 1.056 43.503 42.510 -0.105 0.000 2.326 495 c HN 0.765 nan 8.230 nan 0.000 0.507 496 L N 3.573 124.744 121.223 -0.086 0.000 2.356 496 L HA 0.466 4.806 4.340 -0.000 0.000 0.264 496 L C -0.076 176.715 176.870 -0.131 0.000 1.029 496 L CA -0.053 54.744 54.840 -0.071 0.000 0.897 496 L CB -0.266 41.776 42.059 -0.029 0.000 1.256 496 L HN 0.853 nan 8.230 nan 0.000 0.444 497 c N 2.921 121.446 118.600 -0.124 0.000 2.502 497 c HA 0.029 4.599 4.570 -0.000 0.000 0.404 497 c C 1.076 175.103 174.090 -0.105 0.000 1.409 497 c CA -0.071 56.161 56.329 -0.161 0.000 1.648 497 c CB -1.284 41.183 42.510 -0.072 0.000 2.571 497 c HN 0.729 nan 8.230 nan 0.000 0.601 498 H N 0.565 119.637 119.070 0.003 0.000 2.745 498 H HA 0.400 4.956 4.556 -0.000 0.000 0.373 498 H C 0.820 176.153 175.328 0.008 0.000 1.226 498 H CA 0.341 56.391 56.048 0.004 0.000 1.435 498 H CB 0.493 30.256 29.762 0.002 0.000 1.461 498 H HN 0.769 nan 8.280 nan 0.000 0.616 499 T N -1.361 113.284 114.554 0.153 0.000 2.855 499 T HA 0.428 4.778 4.350 -0.000 0.000 0.281 499 T C -0.168 174.570 174.700 0.062 0.000 1.007 499 T CA -1.082 61.068 62.100 0.083 0.000 1.009 499 T CB 1.666 70.570 68.868 0.060 0.000 0.983 499 T HN 0.434 nan 8.240 nan 0.000 0.455 500 S N 1.551 117.281 115.700 0.049 0.000 2.552 500 S HA 0.381 4.851 4.470 -0.000 0.000 0.314 500 S C -0.444 174.173 174.600 0.027 0.000 1.099 500 S CA -0.828 57.392 58.200 0.033 0.000 1.070 500 S CB 0.509 63.728 63.200 0.032 0.000 0.998 500 S HN 0.825 nan 8.310 nan 0.000 0.474 501 D N 3.668 124.080 120.400 0.019 0.000 3.032 501 D HA 0.195 4.835 4.640 -0.000 0.000 0.241 501 D C -0.209 176.099 176.300 0.014 0.000 1.196 501 D CA -0.218 53.792 54.000 0.017 0.000 0.927 501 D CB -0.215 40.593 40.800 0.012 0.000 1.129 501 D HN 0.154 nan 8.370 nan 0.000 0.458 502 V N 0.691 120.615 119.914 0.016 0.000 2.487 502 V HA 0.344 4.464 4.120 -0.000 0.000 0.298 502 V C -2.182 173.921 176.094 0.014 0.000 1.028 502 V CA -2.130 60.178 62.300 0.013 0.000 0.860 502 V CB 1.918 33.748 31.823 0.012 0.000 0.991 502 V HN 0.064 nan 8.190 nan 0.000 0.427 503 P HA 0.124 nan 4.420 nan 0.000 0.257 503 P C 1.059 178.365 177.300 0.010 0.000 1.162 503 P CA 1.885 64.991 63.100 0.011 0.000 0.762 503 P CB 0.194 31.899 31.700 0.008 0.000 0.753 504 G N 2.559 111.366 108.800 0.012 0.000 2.579 504 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.222 504 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.222 504 G C 0.389 175.298 174.900 0.015 0.000 1.201 504 G CA 0.258 45.361 45.100 0.006 0.000 0.710 504 G HN 0.722 nan 8.290 nan 0.000 0.516 505 K N 0.737 121.147 120.400 0.018 0.000 2.543 505 K HA 0.379 4.699 4.320 -0.000 0.000 0.279 505 K C -0.511 176.116 176.600 0.046 0.000 1.001 505 K CA 0.797 57.100 56.287 0.026 0.000 1.088 505 K CB 0.193 32.707 32.500 0.023 0.000 0.863 505 K HN 1.337 nan 8.250 nan 0.000 0.488 506 L N 6.102 127.364 121.223 0.065 0.000 2.751 506 L HA 0.393 4.733 4.340 -0.000 0.000 0.261 506 L C -1.691 175.263 176.870 0.139 0.000 0.927 506 L CA -0.462 54.437 54.840 0.098 0.000 0.968 506 L CB 1.065 43.189 42.059 0.109 0.000 1.432 506 L HN 0.535 nan 8.230 nan 0.000 0.439 507 I N 5.069 125.693 120.570 0.091 0.000 2.577 507 I HA 0.581 4.751 4.170 -0.000 0.000 0.300 507 I C -0.330 175.849 176.117 0.104 0.000 0.990 507 I CA -0.270 61.040 61.300 0.017 0.000 1.283 507 I CB 1.310 39.295 38.000 -0.025 0.000 1.411 507 I HN 0.832 nan 8.210 nan 0.000 0.515 508 Y N 1.004 121.257 120.300 -0.079 0.000 2.732 508 Y HA 0.697 5.247 4.550 -0.000 0.000 0.342 508 Y C -0.470 175.389 175.900 -0.069 0.000 1.203 508 Y CA -0.993 57.040 58.100 -0.111 0.000 1.092 508 Y CB 0.974 39.307 38.460 -0.212 0.000 1.345 508 Y HN 0.965 nan 8.280 nan 0.000 0.458 509 G N 0.876 109.733 108.800 0.096 0.000 2.406 509 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.680 509 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.680 509 G C -0.427 174.441 174.900 -0.053 0.000 1.338 509 G CA -0.285 44.836 45.100 0.035 0.000 0.941 509 G HN 0.897 nan 8.290 nan 0.000 0.633 510 Q N -0.630 119.092 119.800 -0.131 0.000 2.096 510 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 510 Q C 1.284 176.975 176.000 -0.514 0.000 0.982 510 Q CA 2.279 57.839 55.803 -0.406 0.000 0.850 510 Q CB -0.029 28.286 28.738 -0.705 0.000 0.901 510 Q HN 0.700 nan 8.270 nan 0.000 0.422 511 Y N -2.078 118.201 120.300 -0.036 0.000 2.681 511 Y HA 0.271 4.821 4.550 -0.000 0.000 0.267 511 Y C 0.180 176.033 175.900 -0.078 0.000 1.166 511 Y CA -0.927 57.143 58.100 -0.050 0.000 1.209 511 Y CB 0.028 38.464 38.460 -0.040 0.000 1.161 511 Y HN 0.029 nan 8.280 nan 0.000 0.534 512 c N 2.849 121.446 118.600 -0.005 0.000 4.056 512 c HA -0.206 4.364 4.570 -0.000 0.000 0.302 512 c C 1.839 175.881 174.090 -0.080 0.000 1.356 512 c CA 1.063 57.348 56.329 -0.073 0.000 2.074 512 c CB -1.686 40.767 42.510 -0.094 0.000 1.328 512 c HN 0.751 nan 8.230 nan 0.000 0.684 513 E N -1.636 118.513 120.200 -0.086 0.000 2.290 513 E HA 0.049 4.399 4.350 -0.000 0.000 0.197 513 E C 0.660 177.148 176.600 -0.186 0.000 0.948 513 E CA 0.422 56.770 56.400 -0.087 0.000 0.895 513 E CB -0.079 29.608 29.700 -0.022 0.000 0.865 513 E HN 0.678 nan 8.360 nan 0.000 0.486 514 c N 3.269 121.646 118.600 -0.372 0.000 2.463 514 c HA 0.467 5.037 4.570 -0.000 0.000 0.380 514 c C -0.188 173.439 174.090 -0.773 0.000 1.264 514 c CA -0.498 55.484 56.329 -0.579 0.000 2.161 514 c CB 0.250 42.296 42.510 -0.774 0.000 2.515 514 c HN 0.528 nan 8.230 nan 0.000 0.565 515 D N 0.003 120.189 120.400 -0.356 0.000 2.559 515 D HA 0.427 5.067 4.640 -0.000 0.000 0.250 515 D C -0.332 176.015 176.300 0.079 0.000 1.135 515 D CA -0.506 53.423 54.000 -0.118 0.000 0.955 515 D CB 0.784 41.543 40.800 -0.068 0.000 1.442 515 D HN 0.448 nan 8.370 nan 0.000 0.471 516 T N -2.094 112.523 114.554 0.106 0.000 3.256 516 T HA 0.475 4.825 4.350 -0.000 0.000 0.249 516 T C 0.729 175.401 174.700 -0.046 0.000 0.975 516 T CA -0.386 61.706 62.100 -0.014 0.000 1.011 516 T CB -1.127 67.694 68.868 -0.079 0.000 1.127 516 T HN 0.542 nan 8.240 nan 0.000 0.543 517 I N -3.682 116.876 120.570 -0.020 0.000 5.285 517 I HA 0.502 4.672 4.170 -0.000 0.000 0.351 517 I C 0.034 176.147 176.117 -0.005 0.000 1.206 517 I CA -0.202 61.089 61.300 -0.015 0.000 1.527 517 I CB 0.086 38.084 38.000 -0.005 0.000 1.694 517 I HN 0.112 nan 8.210 nan 0.000 0.585 518 N N 1.840 120.539 118.700 -0.002 0.000 3.322 518 N HA 0.415 5.155 4.740 -0.000 0.000 0.290 518 N C -0.817 174.702 175.510 0.015 0.000 1.297 518 N CA -0.097 52.955 53.050 0.004 0.000 1.167 518 N CB 0.006 38.492 38.487 -0.002 0.000 1.434 518 N HN 0.474 nan 8.380 nan 0.000 0.526 519 c N -0.506 118.106 118.600 0.020 0.000 3.188 519 c HA 0.468 5.038 4.570 -0.000 0.000 0.379 519 c C 0.478 174.591 174.090 0.038 0.000 2.263 519 c CA -0.893 55.456 56.329 0.033 0.000 1.616 519 c CB 0.898 43.429 42.510 0.036 0.000 2.632 519 c HN 0.503 nan 8.230 nan 0.000 0.488 520 E N 0.736 120.966 120.200 0.050 0.000 2.283 520 E HA 0.332 4.682 4.350 -0.000 0.000 0.278 520 E C -0.131 176.516 176.600 0.078 0.000 1.027 520 E CA -0.130 56.306 56.400 0.060 0.000 0.843 520 E CB 0.617 30.358 29.700 0.068 0.000 1.062 520 E HN 0.361 nan 8.360 nan 0.000 0.401 521 R N 2.192 122.741 120.500 0.082 0.000 2.517 521 R HA 0.378 4.718 4.340 -0.000 0.000 0.250 521 R C -1.024 175.391 176.300 0.192 0.000 1.213 521 R CA -0.490 55.672 56.100 0.104 0.000 1.146 521 R CB 0.666 31.004 30.300 0.064 0.000 1.279 521 R HN 0.591 nan 8.270 nan 0.000 0.597 522 Y N 0.178 120.492 120.300 0.023 0.000 2.243 522 Y HA 0.025 4.575 4.550 -0.000 0.000 0.315 522 Y C -1.016 174.899 175.900 0.026 0.000 1.286 522 Y CA -0.677 57.440 58.100 0.029 0.000 1.230 522 Y CB 0.698 39.182 38.460 0.041 0.000 1.295 522 Y HN 0.832 nan 8.280 nan 0.000 0.401 523 N N 4.261 122.757 118.700 -0.340 0.000 2.725 523 N HA -0.162 4.578 4.740 -0.000 0.000 0.251 523 N C 0.547 176.044 175.510 -0.022 0.000 1.031 523 N CA 2.321 55.255 53.050 -0.194 0.000 0.720 523 N CB -1.125 37.298 38.487 -0.108 0.000 0.930 523 N HN 1.893 nan 8.380 nan 0.000 0.543 524 G N -0.530 108.259 108.800 -0.018 0.000 2.305 524 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.287 524 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.287 524 G C -0.288 174.634 174.900 0.036 0.000 1.036 524 G CA 0.914 46.019 45.100 0.008 0.000 0.887 524 G HN 0.747 nan 8.290 nan 0.000 0.505 525 Q N -1.566 118.276 119.800 0.070 0.000 2.379 525 Q HA 0.509 4.849 4.340 -0.000 0.000 0.278 525 Q C 0.145 176.194 176.000 0.082 0.000 1.068 525 Q CA -0.858 54.990 55.803 0.076 0.000 0.816 525 Q CB 2.918 31.713 28.738 0.094 0.000 1.387 525 Q HN 0.706 nan 8.270 nan 0.000 0.413 526 V N -1.339 118.604 119.914 0.049 0.000 2.446 526 V HA 0.070 4.190 4.120 -0.000 0.000 0.276 526 V C 0.567 176.681 176.094 0.034 0.000 1.030 526 V CA -0.488 61.833 62.300 0.035 0.000 1.033 526 V CB -0.074 31.753 31.823 0.007 0.000 0.993 526 V HN 1.068 nan 8.190 nan 0.000 0.477 527 c N 3.293 121.922 118.600 0.048 0.000 4.233 527 c HA -0.090 4.480 4.570 -0.000 0.000 0.292 527 c C 1.666 175.760 174.090 0.006 0.000 1.469 527 c CA 1.159 57.508 56.329 0.032 0.000 2.013 527 c CB -2.301 40.214 42.510 0.007 0.000 1.282 527 c HN 2.683 nan 8.230 nan 0.000 0.796 528 G N -1.488 107.347 108.800 0.058 0.000 2.203 528 G HA2 0.404 4.364 3.960 -0.000 0.000 0.231 528 G HA3 0.404 4.364 3.960 -0.000 0.000 0.231 528 G C 0.970 175.883 174.900 0.021 0.000 1.058 528 G CA 0.542 45.658 45.100 0.027 0.000 0.781 528 G HN 2.803 nan 8.290 nan 0.000 0.496 529 G N -0.440 108.386 108.800 0.043 0.000 2.894 529 G HA2 0.071 4.031 3.960 -0.000 0.000 0.247 529 G HA3 0.071 4.031 3.960 -0.000 0.000 0.247 529 G C -0.539 174.362 174.900 0.003 0.000 1.442 529 G CA 0.312 45.426 45.100 0.023 0.000 0.897 529 G HN 0.843 nan 8.290 nan 0.000 0.550 530 P HA 0.006 nan 4.420 nan 0.000 0.223 530 P C 1.830 179.128 177.300 -0.003 0.000 1.151 530 P CA 1.940 65.051 63.100 0.018 0.000 0.787 530 P CB -0.228 31.475 31.700 0.004 0.000 0.788 531 G N 0.828 109.585 108.800 -0.072 0.000 2.454 531 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.214 531 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.214 531 G C 1.794 176.513 174.900 -0.302 0.000 1.217 531 G CA 0.395 45.385 45.100 -0.183 0.000 0.799 531 G HN 0.159 nan 8.290 nan 0.000 0.538 532 R N 0.139 120.466 120.500 -0.289 0.000 2.092 532 R HA 0.167 4.507 4.340 -0.000 0.000 0.226 532 R C 1.559 177.716 176.300 -0.239 0.000 1.140 532 R CA 1.165 56.927 56.100 -0.563 0.000 0.910 532 R CB -0.506 29.578 30.300 -0.359 0.000 0.822 532 R HN 0.413 nan 8.270 nan 0.000 0.433 533 G N -1.076 107.676 108.800 -0.079 0.000 3.086 533 G HA2 0.631 4.591 3.960 -0.000 0.000 0.282 533 G HA3 0.631 4.591 3.960 -0.000 0.000 0.282 533 G C -1.447 173.413 174.900 -0.067 0.000 1.343 533 G CA -0.692 44.359 45.100 -0.082 0.000 0.895 533 G HN 0.028 nan 8.290 nan 0.000 0.557 534 L N -1.366 119.813 121.223 -0.074 0.000 2.277 534 L HA 0.632 4.972 4.340 -0.000 0.000 0.254 534 L C -0.897 175.965 176.870 -0.014 0.000 1.044 534 L CA -0.939 53.879 54.840 -0.036 0.000 0.842 534 L CB 2.522 44.607 42.059 0.043 0.000 1.422 534 L HN 0.673 nan 8.230 nan 0.000 0.422 535 c N 0.763 119.230 118.600 -0.222 0.000 2.382 535 c HA 0.730 5.300 4.570 -0.000 0.000 0.327 535 c C -1.118 172.658 174.090 -0.524 0.000 1.250 535 c CA -0.544 55.669 56.329 -0.193 0.000 1.707 535 c CB -0.040 42.386 42.510 -0.139 0.000 2.272 535 c HN 0.530 nan 8.230 nan 0.000 0.506 536 F N 4.668 124.692 119.950 0.124 0.000 3.164 536 F HA 0.328 4.855 4.527 -0.000 0.000 0.375 536 F C 0.545 176.463 175.800 0.197 0.000 1.257 536 F CA -0.473 57.655 58.000 0.213 0.000 1.171 536 F CB 0.880 39.988 39.000 0.180 0.000 1.588 536 F HN 0.930 nan 8.300 nan 0.000 0.604 537 c N 2.991 121.770 118.600 0.298 0.000 4.209 537 c HA 0.042 4.612 4.570 -0.000 0.000 0.305 537 c C 1.524 175.682 174.090 0.114 0.000 1.339 537 c CA 1.395 57.817 56.329 0.155 0.000 2.062 537 c CB -1.750 40.870 42.510 0.183 0.000 1.307 537 c HN 1.851 nan 8.230 nan 0.000 0.706 538 G N 0.549 109.402 108.800 0.088 0.000 3.206 538 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 538 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 538 G C 0.201 175.150 174.900 0.082 0.000 1.350 538 G CA 0.566 45.706 45.100 0.067 0.000 0.836 538 G HN 0.855 nan 8.290 nan 0.000 0.548 539 K N 0.616 121.080 120.400 0.107 0.000 2.237 539 K HA 0.502 4.822 4.320 -0.000 0.000 0.270 539 K C -0.275 176.405 176.600 0.133 0.000 1.015 539 K CA -0.095 56.255 56.287 0.105 0.000 0.949 539 K CB 1.152 33.712 32.500 0.101 0.000 0.976 539 K HN 0.309 nan 8.250 nan 0.000 0.472 540 c N 2.581 121.242 118.600 0.102 0.000 2.273 540 c HA 0.290 4.860 4.570 -0.000 0.000 0.328 540 c C 0.444 174.590 174.090 0.093 0.000 1.275 540 c CA -0.832 55.558 56.329 0.101 0.000 1.704 540 c CB -0.376 42.168 42.510 0.057 0.000 2.326 540 c HN 0.707 nan 8.230 nan 0.000 0.517 541 R N 2.272 122.851 120.500 0.132 0.000 2.593 541 R HA 0.242 4.582 4.340 -0.000 0.000 0.282 541 R C -0.376 175.902 176.300 -0.038 0.000 1.300 541 R CA -0.261 55.865 56.100 0.044 0.000 1.221 541 R CB 0.056 30.360 30.300 0.006 0.000 1.157 541 R HN 0.749 nan 8.270 nan 0.000 0.555 542 c N 2.200 120.787 118.600 -0.021 0.000 2.662 542 c HA 0.051 4.621 4.570 -0.000 0.000 0.420 542 c C 1.164 175.223 174.090 -0.053 0.000 1.314 542 c CA -0.480 55.829 56.329 -0.034 0.000 1.963 542 c CB -0.692 41.857 42.510 0.066 0.000 2.686 542 c HN 0.682 nan 8.230 nan 0.000 0.609 543 H N 2.327 121.353 119.070 -0.073 0.000 2.871 543 H HA 0.135 4.691 4.556 -0.000 0.000 0.377 543 H C -1.950 173.433 175.328 0.091 0.000 1.307 543 H CA 0.244 56.258 56.048 -0.056 0.000 1.449 543 H CB -0.170 29.475 29.762 -0.194 0.000 1.452 543 H HN 0.465 nan 8.280 nan 0.000 0.619 544 P HA 0.018 nan 4.420 nan 0.000 0.264 544 P C 0.580 178.088 177.300 0.346 0.000 1.193 544 P CA 1.314 64.543 63.100 0.215 0.000 0.763 544 P CB 0.561 32.344 31.700 0.138 0.000 0.810 545 G N 1.063 109.992 108.800 0.215 0.000 2.157 545 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.239 545 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.239 545 G C -0.330 174.472 174.900 -0.163 0.000 0.982 545 G CA -0.525 44.602 45.100 0.046 0.000 0.650 545 G HN 0.389 nan 8.290 nan 0.000 0.527 546 F N 1.199 121.152 119.950 0.006 0.000 2.539 546 F HA 0.631 5.158 4.527 -0.000 0.000 0.318 546 F C 0.179 175.970 175.800 -0.015 0.000 1.135 546 F CA -0.891 57.102 58.000 -0.012 0.000 0.915 546 F CB 1.785 40.776 39.000 -0.014 0.000 1.176 546 F HN 0.375 nan 8.300 nan 0.000 0.440 547 E N 1.203 121.467 120.200 0.105 0.000 2.431 547 E HA 0.918 5.268 4.350 -0.000 0.000 0.268 547 E C -0.346 176.285 176.600 0.052 0.000 0.953 547 E CA -1.450 54.990 56.400 0.067 0.000 0.810 547 E CB 2.617 32.337 29.700 0.033 0.000 1.369 547 E HN 0.900 nan 8.360 nan 0.000 0.440 548 G N -0.265 108.561 108.800 0.044 0.000 2.440 548 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.684 548 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.684 548 G C 0.255 175.184 174.900 0.048 0.000 1.309 548 G CA -0.193 44.934 45.100 0.045 0.000 0.931 548 G HN 0.405 nan 8.290 nan 0.000 0.612 549 S N -0.251 115.483 115.700 0.056 0.000 2.370 549 S HA 0.119 4.589 4.470 -0.000 0.000 0.226 549 S C 1.909 176.545 174.600 0.060 0.000 1.033 549 S CA 2.453 60.687 58.200 0.058 0.000 1.011 549 S CB -0.067 63.171 63.200 0.062 0.000 0.852 549 S HN 1.999 nan 8.310 nan 0.000 0.457 550 A N -0.794 122.067 122.820 0.067 0.000 2.674 550 A HA 0.523 4.843 4.320 -0.000 0.000 0.286 550 A C 0.609 178.182 177.584 -0.018 0.000 0.980 550 A CA -0.351 51.721 52.037 0.058 0.000 1.028 550 A CB -0.757 18.311 19.000 0.112 0.000 1.199 550 A HN 0.547 nan 8.150 nan 0.000 0.499 551 c N -0.166 118.419 118.600 -0.025 0.000 4.432 551 c HA -0.274 4.296 4.570 -0.000 0.000 0.294 551 c C 2.211 176.162 174.090 -0.232 0.000 1.398 551 c CA 1.299 57.583 56.329 -0.076 0.000 1.988 551 c CB -3.161 39.283 42.510 -0.109 0.000 1.251 551 c HN 0.886 nan 8.230 nan 0.000 0.791 552 Q N -0.595 119.178 119.800 -0.045 0.000 2.079 552 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 552 Q C 1.480 177.569 176.000 0.148 0.000 0.974 552 Q CA 1.770 57.668 55.803 0.159 0.000 0.840 552 Q CB -0.256 28.631 28.738 0.247 0.000 0.898 552 Q HN 0.760 nan 8.270 nan 0.000 0.430 553 c N 2.821 121.463 118.600 0.070 0.000 2.518 553 c HA 0.123 4.693 4.570 -0.000 0.000 0.456 553 c C 1.598 175.686 174.090 -0.004 0.000 1.016 553 c CA -0.472 55.883 56.329 0.044 0.000 1.210 553 c CB -1.662 40.864 42.510 0.027 0.000 1.542 553 c HN 0.627 nan 8.230 nan 0.000 0.545 554 E N 2.146 122.343 120.200 -0.004 0.000 2.086 554 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 554 E C 0.682 177.116 176.600 -0.276 0.000 1.012 554 E CA 1.296 57.697 56.400 0.001 0.000 0.812 554 E CB 0.220 29.958 29.700 0.063 0.000 0.743 554 E HN 0.700 nan 8.360 nan 0.000 0.453 555 R N -0.454 119.857 120.500 -0.315 0.000 2.514 555 R HA 0.159 4.499 4.340 -0.000 0.000 0.301 555 R C 0.385 176.517 176.300 -0.280 0.000 0.962 555 R CA -0.093 55.709 56.100 -0.496 0.000 0.882 555 R CB 1.588 31.676 30.300 -0.354 0.000 1.143 555 R HN -0.065 nan 8.270 nan 0.000 0.452 556 T N 1.033 115.419 114.554 -0.280 0.000 3.148 556 T HA -0.032 4.317 4.350 -0.000 0.000 0.253 556 T C 1.011 175.642 174.700 -0.115 0.000 1.134 556 T CA 0.617 62.631 62.100 -0.143 0.000 1.051 556 T CB -0.066 68.742 68.868 -0.100 0.000 0.959 556 T HN 0.790 nan 8.240 nan 0.000 0.525 557 T N -0.221 114.247 114.554 -0.144 0.000 2.773 557 T HA 0.279 4.629 4.350 -0.000 0.000 0.337 557 T C 0.009 174.666 174.700 -0.071 0.000 1.086 557 T CA -0.395 61.645 62.100 -0.099 0.000 0.998 557 T CB 0.461 69.265 68.868 -0.107 0.000 1.281 557 T HN 0.275 nan 8.240 nan 0.000 0.525 558 E N -0.593 119.574 120.200 -0.054 0.000 3.117 558 E HA 0.323 4.673 4.350 -0.000 0.000 0.262 558 E C 0.696 177.275 176.600 -0.034 0.000 1.202 558 E CA -0.536 55.840 56.400 -0.040 0.000 0.853 558 E CB 0.521 30.202 29.700 -0.031 0.000 1.426 558 E HN 0.884 nan 8.360 nan 0.000 0.387 559 G N 0.111 108.891 108.800 -0.033 0.000 2.776 559 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.209 559 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.209 559 G C 1.168 176.057 174.900 -0.019 0.000 1.145 559 G CA 0.211 45.295 45.100 -0.026 0.000 0.791 559 G HN 0.496 nan 8.290 nan 0.000 0.530 560 c N 0.361 118.950 118.600 -0.018 0.000 2.466 560 c HA 0.262 4.831 4.570 -0.000 0.000 0.283 560 c C 1.283 175.364 174.090 -0.015 0.000 1.472 560 c CA -0.766 55.554 56.329 -0.014 0.000 1.765 560 c CB -1.429 41.074 42.510 -0.013 0.000 1.724 560 c HN 0.277 nan 8.230 nan 0.000 0.560 561 L N 2.965 124.178 121.223 -0.018 0.000 2.349 561 L HA 0.251 4.591 4.340 -0.000 0.000 0.275 561 L C 0.359 177.219 176.870 -0.016 0.000 1.115 561 L CA -0.120 54.710 54.840 -0.018 0.000 0.820 561 L CB 0.501 42.548 42.059 -0.019 0.000 1.135 561 L HN 0.397 nan 8.230 nan 0.000 0.445 562 N N 3.401 122.092 118.700 -0.015 0.000 2.566 562 N HA 0.393 5.133 4.740 -0.000 0.000 0.299 562 N C -2.255 173.246 175.510 -0.014 0.000 1.277 562 N CA -2.007 51.035 53.050 -0.013 0.000 0.965 562 N CB -0.505 37.975 38.487 -0.011 0.000 1.142 562 N HN 0.108 nan 8.380 nan 0.000 0.596 563 P HA -0.016 nan 4.420 nan 0.000 0.220 563 P C 0.971 178.264 177.300 -0.011 0.000 1.148 563 P CA 1.149 64.241 63.100 -0.013 0.000 0.803 563 P CB 0.179 31.871 31.700 -0.012 0.000 0.782 564 R N -0.671 119.823 120.500 -0.011 0.000 2.193 564 R HA 0.014 4.354 4.340 -0.000 0.000 0.229 564 R C 0.508 176.801 176.300 -0.011 0.000 1.110 564 R CA 0.513 56.606 56.100 -0.011 0.000 0.988 564 R CB -0.711 29.580 30.300 -0.014 0.000 0.871 564 R HN 0.108 nan 8.270 nan 0.000 0.458 565 R N -0.528 119.964 120.500 -0.013 0.000 3.531 565 R HA -0.123 4.217 4.340 -0.000 0.000 0.280 565 R C -0.534 175.757 176.300 -0.014 0.000 1.130 565 R CA 0.584 56.677 56.100 -0.013 0.000 0.757 565 R CB -2.714 27.580 30.300 -0.010 0.000 1.218 565 R HN 0.209 nan 8.270 nan 0.000 0.454 566 V N 0.397 120.300 119.914 -0.018 0.000 2.487 566 V HA 0.284 4.404 4.120 -0.000 0.000 0.298 566 V C 0.320 176.399 176.094 -0.025 0.000 1.028 566 V CA -0.802 61.485 62.300 -0.022 0.000 0.860 566 V CB 1.757 33.564 31.823 -0.026 0.000 0.991 566 V HN 0.274 nan 8.190 nan 0.000 0.427 567 E N 4.456 124.641 120.200 -0.024 0.000 2.415 567 E HA 0.130 4.480 4.350 -0.000 0.000 0.260 567 E C 0.617 177.199 176.600 -0.030 0.000 1.016 567 E CA 0.431 56.816 56.400 -0.024 0.000 0.924 567 E CB 0.192 29.879 29.700 -0.021 0.000 0.961 567 E HN 0.978 nan 8.360 nan 0.000 0.459 568 c N 3.458 122.042 118.600 -0.026 0.000 4.356 568 c HA -0.270 4.300 4.570 -0.000 0.000 0.296 568 c C 1.578 175.637 174.090 -0.052 0.000 1.424 568 c CA 0.516 56.828 56.329 -0.029 0.000 2.000 568 c CB -3.240 39.255 42.510 -0.025 0.000 1.262 568 c HN 1.066 nan 8.230 nan 0.000 0.789 569 S N -0.783 114.887 115.700 -0.050 0.000 4.155 569 S HA -0.391 4.079 4.470 -0.000 0.000 0.538 569 S C 1.696 176.231 174.600 -0.109 0.000 1.768 569 S CA 2.335 60.494 58.200 -0.069 0.000 4.139 569 S CB -1.520 61.643 63.200 -0.061 0.000 0.908 569 S HN 1.551 nan 8.310 nan 0.000 0.461 570 G N 1.724 110.415 108.800 -0.181 0.000 2.456 570 G HA2 0.204 4.164 3.960 -0.000 0.000 0.213 570 G HA3 0.204 4.164 3.960 -0.000 0.000 0.213 570 G C 0.407 175.175 174.900 -0.220 0.000 1.215 570 G CA 0.811 45.760 45.100 -0.252 0.000 0.805 570 G HN 0.483 nan 8.290 nan 0.000 0.537 571 R N -0.982 119.375 120.500 -0.238 0.000 2.725 571 R HA 0.595 4.935 4.340 -0.000 0.000 0.277 571 R C -0.801 175.463 176.300 -0.060 0.000 0.987 571 R CA 0.066 56.088 56.100 -0.130 0.000 0.901 571 R CB 1.617 31.853 30.300 -0.106 0.000 1.207 571 R HN 0.786 nan 8.270 nan 0.000 0.463 572 G N 2.125 110.914 108.800 -0.019 0.000 2.897 572 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.392 572 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.392 572 G C -0.704 174.195 174.900 -0.002 0.000 1.263 572 G CA -0.910 44.194 45.100 0.006 0.000 1.185 572 G HN 0.564 nan 8.290 nan 0.000 0.573 573 R N 0.827 121.332 120.500 0.007 0.000 2.756 573 R HA 0.332 4.672 4.340 -0.000 0.000 0.264 573 R C 0.486 176.787 176.300 0.002 0.000 1.026 573 R CA 0.344 56.446 56.100 0.003 0.000 1.121 573 R CB 0.479 30.785 30.300 0.009 0.000 0.999 573 R HN 0.783 nan 8.270 nan 0.000 0.449 574 c N 5.973 124.571 118.600 -0.003 0.000 2.138 574 c HA 0.388 4.958 4.570 -0.000 0.000 0.398 574 c C -0.235 173.853 174.090 -0.003 0.000 1.029 574 c CA -0.597 55.730 56.329 -0.005 0.000 1.426 574 c CB -1.275 41.228 42.510 -0.012 0.000 1.652 574 c HN 0.712 nan 8.230 nan 0.000 0.486 575 R N 3.670 124.172 120.500 0.004 0.000 2.215 575 R HA 0.382 4.722 4.340 -0.000 0.000 0.336 575 R C 0.458 176.763 176.300 0.010 0.000 0.996 575 R CA -0.250 55.855 56.100 0.008 0.000 0.847 575 R CB 0.476 30.786 30.300 0.016 0.000 1.127 575 R HN 0.840 nan 8.270 nan 0.000 0.465 576 c N 3.256 121.857 118.600 0.002 0.000 4.209 576 c HA -0.131 4.439 4.570 -0.000 0.000 0.305 576 c C 0.184 174.275 174.090 0.002 0.000 1.339 576 c CA 0.078 56.409 56.329 0.004 0.000 2.062 576 c CB -2.467 40.063 42.510 0.035 0.000 1.307 576 c HN 1.090 nan 8.230 nan 0.000 0.706 577 N N -2.313 116.379 118.700 -0.013 0.000 2.725 577 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 577 N C -0.491 175.019 175.510 0.001 0.000 1.103 577 N CA 1.406 54.448 53.050 -0.012 0.000 0.707 577 N CB -0.736 37.741 38.487 -0.017 0.000 1.043 577 N HN 0.838 nan 8.380 nan 0.000 0.553 578 V N -0.875 119.042 119.914 0.005 0.000 3.007 578 V HA 0.536 4.656 4.120 -0.000 0.000 0.311 578 V C 0.256 176.355 176.094 0.009 0.000 1.120 578 V CA -0.858 61.448 62.300 0.011 0.000 0.980 578 V CB 2.667 34.501 31.823 0.018 0.000 1.033 578 V HN 0.204 nan 8.190 nan 0.000 0.429 579 c N 1.603 120.211 118.600 0.012 0.000 2.391 579 c HA 0.527 5.097 4.570 -0.000 0.000 0.339 579 c C 0.563 174.666 174.090 0.021 0.000 1.205 579 c CA -0.561 55.775 56.329 0.013 0.000 1.937 579 c CB 1.013 43.529 42.510 0.010 0.000 2.341 579 c HN 0.995 nan 8.230 nan 0.000 0.516 580 E N 1.133 121.347 120.200 0.023 0.000 2.597 580 E HA 0.238 4.588 4.350 -0.000 0.000 0.235 580 E C -0.554 176.074 176.600 0.047 0.000 1.155 580 E CA -0.337 56.082 56.400 0.032 0.000 1.199 580 E CB 0.064 29.783 29.700 0.032 0.000 1.409 580 E HN 0.804 nan 8.360 nan 0.000 0.453 581 c N 3.279 121.912 118.600 0.054 0.000 2.523 581 c HA -0.027 4.543 4.570 -0.000 0.000 0.406 581 c C 1.026 175.187 174.090 0.119 0.000 1.449 581 c CA -0.442 55.937 56.329 0.082 0.000 1.588 581 c CB -1.059 41.529 42.510 0.130 0.000 2.514 581 c HN 0.613 nan 8.230 nan 0.000 0.606 582 H N 2.384 121.475 119.070 0.035 0.000 2.745 582 H HA 0.149 4.705 4.556 -0.000 0.000 0.373 582 H C 1.117 176.555 175.328 0.183 0.000 1.226 582 H CA 1.805 57.895 56.048 0.069 0.000 1.435 582 H CB 0.776 30.552 29.762 0.024 0.000 1.461 582 H HN 0.953 nan 8.280 nan 0.000 0.616 583 S N 0.840 116.331 115.700 -0.349 0.000 3.144 583 S HA -0.281 4.189 4.470 -0.000 0.000 0.629 583 S C 1.404 176.026 174.600 0.036 0.000 2.962 583 S CA 1.329 59.499 58.200 -0.051 0.000 3.700 583 S CB -1.481 61.883 63.200 0.274 0.000 0.286 583 S HN 1.030 nan 8.310 nan 0.000 1.464 584 G N -0.458 108.359 108.800 0.028 0.000 3.088 584 G HA2 0.311 4.270 3.960 -0.000 0.000 0.212 584 G HA3 0.311 4.270 3.960 -0.000 0.000 0.212 584 G C 0.037 174.919 174.900 -0.030 0.000 1.173 584 G CA 0.095 45.178 45.100 -0.029 0.000 0.779 584 G HN 0.564 nan 8.290 nan 0.000 0.540 585 Y N 1.365 121.674 120.300 0.017 0.000 2.712 585 Y HA 0.096 4.646 4.550 -0.000 0.000 0.333 585 Y C 1.146 177.053 175.900 0.011 0.000 1.225 585 Y CA 0.314 58.427 58.100 0.021 0.000 1.499 585 Y CB 0.579 39.060 38.460 0.035 0.000 1.288 585 Y HN 0.094 nan 8.280 nan 0.000 0.575 586 Q N 1.850 121.731 119.800 0.136 0.000 2.252 586 Q HA 0.436 4.776 4.340 -0.000 0.000 0.256 586 Q C -0.761 175.284 176.000 0.075 0.000 1.020 586 Q CA -1.122 54.726 55.803 0.075 0.000 0.913 586 Q CB 1.858 30.614 28.738 0.032 0.000 1.286 586 Q HN 0.480 nan 8.270 nan 0.000 0.480 587 L N 1.301 122.552 121.223 0.047 0.000 2.468 587 L HA 0.196 4.536 4.340 -0.000 0.000 0.254 587 L C -1.243 175.646 176.870 0.031 0.000 1.171 587 L CA -0.760 54.102 54.840 0.037 0.000 0.809 587 L CB -0.536 41.538 42.059 0.025 0.000 1.155 587 L HN 0.543 nan 8.230 nan 0.000 0.473 588 P HA 0.117 nan 4.420 nan 0.000 0.220 588 P C 0.950 178.262 177.300 0.020 0.000 1.154 588 P CA 0.810 63.921 63.100 0.019 0.000 0.837 588 P CB 0.367 32.074 31.700 0.011 0.000 0.815 589 L N -1.070 120.166 121.223 0.021 0.000 2.769 589 L HA 0.238 4.578 4.340 -0.000 0.000 0.240 589 L C -0.343 176.539 176.870 0.019 0.000 1.163 589 L CA -0.334 54.514 54.840 0.013 0.000 0.962 589 L CB -0.558 41.504 42.059 0.005 0.000 1.258 589 L HN -0.089 nan 8.230 nan 0.000 0.513 590 c N 1.731 120.361 118.600 0.050 0.000 3.234 590 c HA -0.120 4.450 4.570 -0.000 0.000 0.291 590 c C 1.536 175.689 174.090 0.105 0.000 1.089 590 c CA 0.726 57.107 56.329 0.087 0.000 2.493 590 c CB -1.919 40.598 42.510 0.013 0.000 1.512 590 c HN 0.802 nan 8.230 nan 0.000 0.495 591 Q N -0.213 119.697 119.800 0.184 0.000 2.519 591 Q HA 0.186 4.526 4.340 -0.000 0.000 0.248 591 Q C 0.177 176.341 176.000 0.273 0.000 0.804 591 Q CA 0.582 56.503 55.803 0.196 0.000 0.979 591 Q CB 0.364 29.154 28.738 0.087 0.000 1.282 591 Q HN 0.838 nan 8.270 nan 0.000 0.558 592 E N 1.019 121.312 120.200 0.156 0.000 2.115 592 E HA 0.325 4.675 4.350 -0.000 0.000 0.282 592 E C -1.169 175.392 176.600 -0.065 0.000 0.987 592 E CA -0.406 56.019 56.400 0.042 0.000 0.797 592 E CB 1.641 31.353 29.700 0.020 0.000 1.086 592 E HN 0.258 nan 8.360 nan 0.000 0.397 593 C N 6.937 126.069 119.300 -0.281 0.000 2.146 593 C HA 0.318 4.778 4.460 -0.000 0.000 0.338 593 C C -1.384 173.491 174.990 -0.192 0.000 1.074 593 C CA -2.131 56.655 59.018 -0.385 0.000 1.527 593 C CB -0.795 26.445 27.740 -0.832 0.000 1.915 593 C HN 0.657 nan 8.230 nan 0.000 0.453 594 P HA -0.008 nan 4.420 nan 0.000 0.220 594 P C 1.404 178.668 177.300 -0.060 0.000 1.144 594 P CA 1.527 64.589 63.100 -0.064 0.000 0.800 594 P CB 0.123 31.799 31.700 -0.041 0.000 0.772 595 G N -2.093 106.663 108.800 -0.073 0.000 2.887 595 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.211 595 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.211 595 G C 0.191 175.061 174.900 -0.049 0.000 1.152 595 G CA -0.103 44.966 45.100 -0.052 0.000 0.769 595 G HN 0.246 nan 8.290 nan 0.000 0.541 596 C N 2.276 121.530 119.300 -0.077 0.000 2.634 596 C HA 0.179 4.639 4.460 -0.000 0.000 0.418 596 C C 0.191 175.170 174.990 -0.018 0.000 1.373 596 C CA -0.873 58.111 59.018 -0.056 0.000 1.756 596 C CB 1.425 29.106 27.740 -0.099 0.000 2.589 596 C HN 0.374 nan 8.230 nan 0.000 0.602 597 P HA -0.066 nan 4.420 nan 0.000 0.213 597 P C 0.550 177.861 177.300 0.019 0.000 1.170 597 P CA 1.671 64.780 63.100 0.016 0.000 0.898 597 P CB 0.127 31.845 31.700 0.031 0.000 0.787 598 S N -2.910 112.810 115.700 0.032 0.000 4.680 598 S HA 0.017 4.487 4.470 -0.000 0.000 0.050 598 S C -2.631 171.988 174.600 0.031 0.000 0.877 598 S CA -0.538 57.675 58.200 0.022 0.000 0.891 598 S CB -1.970 61.235 63.200 0.009 0.000 0.342 598 S HN 0.067 nan 8.310 nan 0.000 0.806 599 P HA 0.270 nan 4.420 nan 0.000 0.259 599 P C 0.721 178.111 177.300 0.150 0.000 1.211 599 P CA -0.123 63.076 63.100 0.165 0.000 0.810 599 P CB 0.136 32.023 31.700 0.313 0.000 0.815 600 c N 2.735 121.437 118.600 0.169 0.000 2.674 600 c HA 0.191 4.761 4.570 -0.000 0.000 0.276 600 c C 1.746 176.045 174.090 0.348 0.000 1.300 600 c CA 0.577 57.045 56.329 0.231 0.000 1.732 600 c CB -0.505 42.099 42.510 0.157 0.000 2.076 600 c HN 0.660 nan 8.230 nan 0.000 0.548 601 G N 0.108 109.052 108.800 0.240 0.000 2.559 601 G HA2 0.301 4.261 3.960 -0.000 0.000 0.235 601 G HA3 0.301 4.261 3.960 -0.000 0.000 0.235 601 G C 0.484 175.440 174.900 0.094 0.000 1.266 601 G CA 0.291 45.480 45.100 0.148 0.000 0.847 601 G HN 0.631 nan 8.290 nan 0.000 0.583 602 K N -0.178 120.211 120.400 -0.018 0.000 3.572 602 K HA -0.267 4.053 4.320 -0.000 0.000 0.306 602 K C 0.917 177.337 176.600 -0.301 0.000 1.286 602 K CA 1.972 58.152 56.287 -0.178 0.000 1.010 602 K CB -1.126 31.198 32.500 -0.293 0.000 1.268 602 K HN 0.598 nan 8.250 nan 0.000 0.438 603 Y N -0.475 119.816 120.300 -0.016 0.000 2.498 603 Y HA 0.184 4.734 4.550 -0.000 0.000 0.259 603 Y C 2.098 177.943 175.900 -0.092 0.000 1.086 603 Y CA -0.114 57.943 58.100 -0.071 0.000 1.287 603 Y CB 0.358 38.758 38.460 -0.099 0.000 1.146 603 Y HN -0.014 nan 8.280 nan 0.000 0.523 604 I N -0.583 120.054 120.570 0.112 0.000 2.226 604 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 604 I C 2.525 178.664 176.117 0.036 0.000 1.100 604 I CA 1.506 62.845 61.300 0.065 0.000 1.374 604 I CB -1.247 36.818 38.000 0.107 0.000 1.057 604 I HN 0.177 nan 8.210 nan 0.000 0.413 605 S N -0.089 115.657 115.700 0.077 0.000 2.400 605 S HA -0.185 4.285 4.470 -0.000 0.000 0.232 605 S C 2.129 176.692 174.600 -0.062 0.000 1.025 605 S CA 1.720 59.997 58.200 0.127 0.000 0.993 605 S CB -0.165 63.160 63.200 0.209 0.000 0.808 605 S HN 0.538 nan 8.310 nan 0.000 0.478 606 c N 0.930 119.493 118.600 -0.060 0.000 2.634 606 c HA 0.528 5.098 4.570 -0.000 0.000 0.268 606 c C 2.899 176.926 174.090 -0.106 0.000 1.322 606 c CA -0.151 56.126 56.329 -0.086 0.000 1.737 606 c CB -1.175 41.306 42.510 -0.048 0.000 1.976 606 c HN 0.715 nan 8.230 nan 0.000 0.547 607 A N 1.847 124.583 122.820 -0.141 0.000 1.929 607 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 607 A C 2.028 179.544 177.584 -0.113 0.000 1.176 607 A CA 1.562 53.468 52.037 -0.218 0.000 0.628 607 A CB -0.503 18.214 19.000 -0.470 0.000 0.816 607 A HN 0.801 nan 8.150 nan 0.000 0.444 608 E N -1.485 118.652 120.200 -0.104 0.000 2.476 608 E HA 0.023 4.373 4.350 -0.000 0.000 0.191 608 E C 1.239 177.786 176.600 -0.088 0.000 1.064 608 E CA 0.602 56.963 56.400 -0.065 0.000 0.866 608 E CB -0.401 29.235 29.700 -0.106 0.000 0.952 608 E HN 0.442 nan 8.360 nan 0.000 0.492 609 c N 0.055 118.579 118.600 -0.127 0.000 2.926 609 c HA 0.371 4.941 4.570 -0.000 0.000 0.272 609 c C 1.608 175.653 174.090 -0.075 0.000 1.249 609 c CA -0.191 56.051 56.329 -0.143 0.000 1.691 609 c CB -0.761 41.636 42.510 -0.188 0.000 1.983 609 c HN 0.546 nan 8.230 nan 0.000 0.615 610 L N 0.051 121.247 121.223 -0.045 0.000 2.670 610 L HA 0.271 4.611 4.340 -0.000 0.000 0.177 610 L C 2.365 179.222 176.870 -0.021 0.000 1.181 610 L CA 0.347 55.168 54.840 -0.032 0.000 0.856 610 L CB -0.961 41.078 42.059 -0.033 0.000 1.205 610 L HN -0.038 nan 8.230 nan 0.000 0.506 611 K N 1.019 121.420 120.400 0.000 0.000 1.967 611 K HA -0.028 4.292 4.320 -0.000 0.000 0.212 611 K C 0.449 177.004 176.600 -0.075 0.000 1.044 611 K CA 1.377 57.642 56.287 -0.036 0.000 0.942 611 K CB -0.572 31.935 32.500 0.011 0.000 0.726 611 K HN -0.132 nan 8.250 nan 0.000 0.440 612 F N 1.588 121.492 119.950 -0.077 0.000 2.403 612 F HA 0.235 4.762 4.527 -0.000 0.000 0.320 612 F C 0.759 176.514 175.800 -0.075 0.000 1.176 612 F CA -0.218 57.745 58.000 -0.061 0.000 1.206 612 F CB 0.537 39.509 39.000 -0.047 0.000 1.235 612 F HN 0.037 nan 8.300 nan 0.000 0.565 613 E N 1.423 121.689 120.200 0.110 0.000 3.170 613 E HA 0.082 4.431 4.350 -0.000 0.000 0.212 613 E C -0.312 176.296 176.600 0.015 0.000 1.143 613 E CA -0.096 56.317 56.400 0.021 0.000 1.139 613 E CB 0.755 30.453 29.700 -0.004 0.000 1.346 613 E HN 0.498 nan 8.360 nan 0.000 0.432 614 K N 0.575 120.965 120.400 -0.016 0.000 2.965 614 K HA 0.252 4.572 4.320 -0.000 0.000 0.216 614 K C 0.043 176.542 176.600 -0.168 0.000 1.164 614 K CA 0.015 56.288 56.287 -0.025 0.000 1.153 614 K CB 0.089 32.603 32.500 0.022 0.000 1.045 614 K HN 0.491 nan 8.250 nan 0.000 0.460 615 G N 3.100 111.781 108.800 -0.198 0.000 3.316 615 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.445 615 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.445 615 G C -2.710 171.821 174.900 -0.616 0.000 1.002 615 G CA -0.950 43.996 45.100 -0.256 0.000 0.818 615 G HN 0.203 nan 8.290 nan 0.000 0.404 616 P HA 0.108 nan 4.420 nan 0.000 0.256 616 P C 0.885 178.061 177.300 -0.207 0.000 1.189 616 P CA 0.273 63.176 63.100 -0.329 0.000 0.808 616 P CB 0.018 31.628 31.700 -0.150 0.000 0.793 617 F N 2.421 122.358 119.950 -0.022 0.000 2.012 617 F HA -0.055 4.472 4.527 -0.000 0.000 0.289 617 F C 2.833 178.619 175.800 -0.022 0.000 1.185 617 F CA 1.058 59.044 58.000 -0.023 0.000 1.149 617 F CB -1.364 37.618 39.000 -0.030 0.000 0.994 617 F HN 0.271 nan 8.300 nan 0.000 0.481 618 G N -0.147 108.768 108.800 0.193 0.000 2.606 618 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.221 618 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.221 618 G C 1.071 176.004 174.900 0.054 0.000 1.152 618 G CA 1.868 47.022 45.100 0.089 0.000 0.765 618 G HN 0.341 nan 8.290 nan 0.000 0.595 619 K N -2.160 118.262 120.400 0.037 0.000 2.359 619 K HA 0.273 4.593 4.320 -0.000 0.000 0.315 619 K C 0.120 176.721 176.600 0.002 0.000 1.027 619 K CA -0.551 55.746 56.287 0.017 0.000 0.806 619 K CB 0.108 32.613 32.500 0.008 0.000 3.499 619 K HN 0.118 nan 8.250 nan 0.000 1.216 620 N N -0.599 118.094 118.700 -0.012 0.000 2.992 620 N HA 0.479 5.219 4.740 -0.000 0.000 0.338 620 N C -1.095 174.391 175.510 -0.041 0.000 1.376 620 N CA -0.542 52.490 53.050 -0.029 0.000 0.778 620 N CB 1.205 39.679 38.487 -0.021 0.000 1.232 620 N HN 0.406 nan 8.380 nan 0.000 0.581 621 c N -1.759 116.814 118.600 -0.045 0.000 3.119 621 c HA 0.566 5.136 4.570 -0.000 0.000 0.359 621 c C 0.285 174.360 174.090 -0.025 0.000 1.486 621 c CA -0.141 56.162 56.329 -0.043 0.000 1.556 621 c CB 0.943 43.414 42.510 -0.066 0.000 2.063 621 c HN 0.836 nan 8.230 nan 0.000 0.454 622 S N -0.993 114.697 115.700 -0.017 0.000 3.261 622 S HA -0.223 4.247 4.470 -0.000 0.000 0.287 622 S C 0.313 174.912 174.600 -0.001 0.000 1.281 622 S CA 1.324 59.521 58.200 -0.005 0.000 1.053 622 S CB -1.643 61.554 63.200 -0.006 0.000 1.251 622 S HN 1.290 nan 8.310 nan 0.000 0.659 623 A N -0.382 122.436 122.820 -0.004 0.000 1.780 623 A HA 0.786 5.106 4.320 -0.000 0.000 0.208 623 A C 1.400 178.983 177.584 -0.001 0.000 1.761 623 A CA 0.785 52.822 52.037 -0.001 0.000 1.183 623 A CB -0.428 18.570 19.000 -0.004 0.000 1.162 623 A HN 1.232 nan 8.150 nan 0.000 0.472 624 A N -1.069 121.746 122.820 -0.008 0.000 2.415 624 A HA 0.445 4.765 4.320 -0.000 0.000 0.248 624 A C 0.309 177.884 177.584 -0.015 0.000 1.299 624 A CA 0.571 52.601 52.037 -0.012 0.000 0.899 624 A CB -0.893 18.097 19.000 -0.016 0.000 0.997 624 A HN 0.650 nan 8.150 nan 0.000 0.506 625 c N 0.310 118.910 118.600 -0.001 0.000 3.421 625 c HA 0.279 4.849 4.570 -0.000 0.000 0.194 625 c C -1.908 172.208 174.090 0.043 0.000 1.418 625 c CA -0.802 55.536 56.329 0.014 0.000 1.226 625 c CB 0.426 42.932 42.510 -0.006 0.000 1.875 625 c HN 0.452 nan 8.230 nan 0.000 0.561 626 P HA 0.026 nan 4.420 nan 0.000 0.251 626 P C 1.001 178.372 177.300 0.117 0.000 1.251 626 P CA 0.849 63.993 63.100 0.074 0.000 0.763 626 P CB -0.098 31.643 31.700 0.070 0.000 1.067 627 G N 0.871 109.760 108.800 0.148 0.000 3.197 627 G HA2 0.051 4.011 3.960 -0.000 0.000 0.257 627 G HA3 0.051 4.011 3.960 -0.000 0.000 0.257 627 G C 0.923 175.890 174.900 0.111 0.000 0.835 627 G CA -0.327 44.885 45.100 0.188 0.000 2.001 627 G HN 0.127 nan 8.290 nan 0.000 0.625 628 L N 0.120 121.394 121.223 0.085 0.000 2.127 628 L HA -0.014 4.325 4.340 -0.000 0.000 0.211 628 L C 1.634 178.534 176.870 0.050 0.000 1.089 628 L CA 1.477 56.349 54.840 0.054 0.000 0.757 628 L CB -0.268 41.816 42.059 0.042 0.000 0.899 628 L HN 0.428 nan 8.230 nan 0.000 0.434 629 Q N -0.562 119.276 119.800 0.064 0.000 2.235 629 Q HA 0.384 4.723 4.340 -0.000 0.000 0.250 629 Q C -0.827 175.213 176.000 0.066 0.000 0.909 629 Q CA -0.248 55.591 55.803 0.060 0.000 0.910 629 Q CB 1.799 30.573 28.738 0.061 0.000 1.223 629 Q HN 0.131 nan 8.270 nan 0.000 0.432 630 L N 2.173 123.432 121.223 0.060 0.000 2.669 630 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 630 L C -0.579 176.348 176.870 0.095 0.000 1.441 630 L CA -0.081 54.800 54.840 0.068 0.000 0.745 630 L CB 0.911 42.990 42.059 0.033 0.000 1.044 630 L HN 0.660 nan 8.230 nan 0.000 0.523 631 S N -0.418 115.347 115.700 0.108 0.000 2.571 631 S HA -0.001 4.469 4.470 -0.000 0.000 0.298 631 S C 0.571 175.277 174.600 0.176 0.000 1.280 631 S CA -0.008 58.259 58.200 0.111 0.000 1.052 631 S CB 0.176 63.430 63.200 0.091 0.000 0.799 631 S HN 0.529 nan 8.310 nan 0.000 0.501 632 N N 3.457 122.240 118.700 0.138 0.000 3.091 632 N HA 0.256 4.996 4.740 -0.000 0.000 0.301 632 N C -0.767 174.798 175.510 0.092 0.000 1.325 632 N CA -0.052 53.108 53.050 0.182 0.000 1.143 632 N CB -0.666 37.890 38.487 0.114 0.000 1.450 632 N HN 0.509 nan 8.380 nan 0.000 0.542 633 N N -0.317 118.397 118.700 0.023 0.000 2.525 633 N HA 0.354 5.094 4.740 -0.000 0.000 0.270 633 N C -2.735 172.566 175.510 -0.349 0.000 1.321 633 N CA -1.297 51.669 53.050 -0.141 0.000 0.797 633 N CB 1.905 40.361 38.487 -0.052 0.000 1.529 633 N HN -0.153 nan 8.380 nan 0.000 0.491 634 P HA 0.051 nan 4.420 nan 0.000 0.231 634 P C 0.188 177.407 177.300 -0.135 0.000 1.756 634 P CA -0.178 62.731 63.100 -0.319 0.000 0.990 634 P CB -0.273 31.297 31.700 -0.217 0.000 1.973 635 V N -1.283 118.588 119.914 -0.072 0.000 3.237 635 V HA 0.341 4.461 4.120 -0.000 0.000 0.305 635 V C 0.386 176.499 176.094 0.031 0.000 1.096 635 V CA -0.027 62.277 62.300 0.008 0.000 1.130 635 V CB 0.678 32.537 31.823 0.060 0.000 1.048 635 V HN 0.176 nan 8.190 nan 0.000 0.484 636 K N 0.498 120.921 120.400 0.039 0.000 2.499 636 K HA 0.720 5.040 4.320 -0.000 0.000 0.284 636 K C 0.392 177.019 176.600 0.044 0.000 1.039 636 K CA -0.439 55.873 56.287 0.042 0.000 0.873 636 K CB 1.666 34.177 32.500 0.018 0.000 1.545 636 K HN 1.105 nan 8.250 nan 0.000 0.402 637 G N 0.310 109.131 108.800 0.036 0.000 3.131 637 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.198 637 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.198 637 G C -0.549 174.369 174.900 0.031 0.000 1.435 637 G CA -0.579 44.540 45.100 0.032 0.000 1.016 637 G HN 0.267 nan 8.290 nan 0.000 0.499 638 R N 2.156 122.682 120.500 0.044 0.000 3.256 638 R HA 0.377 4.717 4.340 -0.000 0.000 0.263 638 R C 0.132 176.441 176.300 0.016 0.000 1.388 638 R CA 0.194 56.313 56.100 0.031 0.000 1.580 638 R CB 0.201 30.530 30.300 0.047 0.000 1.255 638 R HN 0.353 nan 8.270 nan 0.000 0.640 639 T N 1.184 115.739 114.554 0.002 0.000 2.761 639 T HA -0.037 4.313 4.350 -0.000 0.000 0.262 639 T C 0.343 174.999 174.700 -0.073 0.000 0.968 639 T CA 0.218 62.306 62.100 -0.021 0.000 1.235 639 T CB -0.684 68.172 68.868 -0.019 0.000 0.925 639 T HN 0.455 nan 8.240 nan 0.000 0.545 640 c N 5.474 123.987 118.600 -0.144 0.000 2.358 640 c HA 0.809 5.379 4.570 -0.000 0.000 0.354 640 c C -0.143 173.665 174.090 -0.471 0.000 1.183 640 c CA -0.761 55.396 56.329 -0.286 0.000 2.150 640 c CB 0.744 43.064 42.510 -0.317 0.000 2.361 640 c HN 1.042 nan 8.230 nan 0.000 0.535 641 K N 3.688 123.859 120.400 -0.382 0.000 2.865 641 K HA 0.273 4.593 4.320 -0.000 0.000 0.259 641 K C -0.746 175.809 176.600 -0.077 0.000 1.236 641 K CA -0.123 55.999 56.287 -0.275 0.000 1.024 641 K CB 0.259 32.681 32.500 -0.130 0.000 1.344 641 K HN 0.805 nan 8.250 nan 0.000 0.558 642 E N 1.431 121.593 120.200 -0.063 0.000 2.518 642 E HA 0.486 4.836 4.350 -0.000 0.000 0.241 642 E C -0.047 176.631 176.600 0.131 0.000 0.899 642 E CA -0.745 55.718 56.400 0.105 0.000 0.888 642 E CB 0.996 30.757 29.700 0.102 0.000 1.426 642 E HN 0.434 nan 8.360 nan 0.000 0.401 643 R N 0.485 120.990 120.500 0.008 0.000 2.602 643 R HA 0.252 4.592 4.340 -0.000 0.000 0.237 643 R C 0.227 176.482 176.300 -0.076 0.000 1.219 643 R CA -0.582 55.417 56.100 -0.168 0.000 1.121 643 R CB 0.306 30.357 30.300 -0.415 0.000 1.408 643 R HN 0.569 nan 8.270 nan 0.000 0.559 644 D N -1.083 119.234 120.400 -0.138 0.000 2.570 644 D HA 0.019 4.659 4.640 -0.000 0.000 0.266 644 D C 0.790 177.057 176.300 -0.056 0.000 1.182 644 D CA -0.359 53.591 54.000 -0.083 0.000 1.088 644 D CB -0.207 40.510 40.800 -0.138 0.000 1.186 644 D HN 0.395 nan 8.370 nan 0.000 0.618 645 S N -1.632 114.075 115.700 0.011 0.000 2.436 645 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 645 S C 0.437 174.989 174.600 -0.080 0.000 1.014 645 S CA 0.411 58.613 58.200 0.003 0.000 0.950 645 S CB -0.419 62.901 63.200 0.200 0.000 0.784 645 S HN 0.560 nan 8.310 nan 0.000 0.504 646 E N 0.307 120.460 120.200 -0.078 0.000 3.117 646 E HA 0.464 4.814 4.350 -0.000 0.000 0.262 646 E C 0.394 176.915 176.600 -0.131 0.000 1.202 646 E CA -0.128 56.214 56.400 -0.098 0.000 0.853 646 E CB 0.866 30.531 29.700 -0.059 0.000 1.426 646 E HN 0.368 nan 8.360 nan 0.000 0.387 647 G N 1.208 109.887 108.800 -0.202 0.000 4.365 647 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.214 647 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.214 647 G C 0.578 175.236 174.900 -0.403 0.000 1.450 647 G CA -0.173 44.760 45.100 -0.279 0.000 0.937 647 G HN 0.540 nan 8.290 nan 0.000 0.625 648 c N 2.653 121.112 118.600 -0.235 0.000 2.596 648 c HA 0.290 4.860 4.570 -0.000 0.000 0.414 648 c C 0.969 174.954 174.090 -0.174 0.000 1.396 648 c CA -0.384 55.858 56.329 -0.146 0.000 1.698 648 c CB -0.933 41.536 42.510 -0.067 0.000 2.572 648 c HN 0.323 nan 8.230 nan 0.000 0.604 649 W N 4.224 125.503 121.300 -0.034 0.000 2.605 649 W HA 0.319 4.979 4.660 -0.000 0.000 0.327 649 W C -0.450 176.046 176.519 -0.038 0.000 1.332 649 W CA -0.056 57.271 57.345 -0.030 0.000 1.403 649 W CB 0.244 29.690 29.460 -0.024 0.000 1.452 649 W HN 0.389 nan 8.180 nan 0.000 0.503 650 V N 4.719 124.702 119.914 0.116 0.000 2.385 650 V HA 0.328 4.448 4.120 -0.000 0.000 0.269 650 V C 0.719 176.915 176.094 0.170 0.000 1.043 650 V CA -0.674 61.678 62.300 0.087 0.000 0.906 650 V CB 0.384 32.199 31.823 -0.013 0.000 0.995 650 V HN 0.504 nan 8.190 nan 0.000 0.467 651 A N 5.963 128.865 122.820 0.137 0.000 2.302 651 A HA 0.898 5.218 4.320 -0.000 0.000 0.285 651 A C -0.689 176.987 177.584 0.154 0.000 1.105 651 A CA -0.295 51.761 52.037 0.033 0.000 0.816 651 A CB 0.529 19.560 19.000 0.052 0.000 1.067 651 A HN 1.399 nan 8.150 nan 0.000 0.489 652 Y N -1.505 118.837 120.300 0.070 0.000 2.365 652 Y HA 0.449 4.999 4.550 -0.000 0.000 0.324 652 Y C -0.090 175.854 175.900 0.075 0.000 1.330 652 Y CA -0.588 57.557 58.100 0.075 0.000 1.271 652 Y CB -0.281 38.201 38.460 0.037 0.000 1.306 652 Y HN 0.915 nan 8.280 nan 0.000 0.451 653 T N 0.701 115.404 114.554 0.249 0.000 2.729 653 T HA 0.648 4.998 4.350 -0.000 0.000 0.298 653 T C -0.889 173.954 174.700 0.238 0.000 1.013 653 T CA -0.428 61.775 62.100 0.171 0.000 0.957 653 T CB 1.552 70.509 68.868 0.149 0.000 1.130 653 T HN 1.104 nan 8.240 nan 0.000 0.526 654 L N 0.726 122.044 121.223 0.159 0.000 2.564 654 L HA 0.387 4.727 4.340 -0.000 0.000 0.259 654 L C -0.635 176.331 176.870 0.159 0.000 1.101 654 L CA -0.264 54.665 54.840 0.148 0.000 0.900 654 L CB 1.130 43.235 42.059 0.076 0.000 1.110 654 L HN 0.967 nan 8.230 nan 0.000 0.468 655 E N 3.438 123.736 120.200 0.163 0.000 2.001 655 E HA 0.188 4.538 4.350 -0.000 0.000 0.279 655 E C -0.292 176.404 176.600 0.160 0.000 1.045 655 E CA -0.252 56.230 56.400 0.137 0.000 0.833 655 E CB 0.705 30.461 29.700 0.094 0.000 1.077 655 E HN 0.678 nan 8.360 nan 0.000 0.397 656 Q N 3.222 123.117 119.800 0.159 0.000 2.454 656 Q HA 0.016 4.356 4.340 -0.000 0.000 0.247 656 Q C -0.820 175.136 176.000 -0.074 0.000 1.028 656 Q CA 0.178 55.953 55.803 -0.047 0.000 0.910 656 Q CB 0.744 29.412 28.738 -0.117 0.000 1.276 656 Q HN 0.445 nan 8.270 nan 0.000 0.489 657 Q N 2.251 121.954 119.800 -0.163 0.000 2.296 657 Q HA 0.209 4.549 4.340 -0.000 0.000 0.254 657 Q C -1.066 174.868 176.000 -0.110 0.000 0.936 657 Q CA -0.251 55.499 55.803 -0.087 0.000 0.834 657 Q CB 1.713 30.424 28.738 -0.045 0.000 1.340 657 Q HN 0.877 nan 8.270 nan 0.000 0.428 658 D N 1.018 121.370 120.400 -0.081 0.000 4.352 658 D HA -0.217 4.423 4.640 -0.000 0.000 0.135 658 D C 0.393 176.610 176.300 -0.139 0.000 0.758 658 D CA 2.080 56.025 54.000 -0.092 0.000 1.133 658 D CB -0.980 39.777 40.800 -0.072 0.000 0.571 658 D HN 0.705 nan 8.370 nan 0.000 0.555 659 G N -0.379 108.344 108.800 -0.129 0.000 2.332 659 G HA2 0.535 4.495 3.960 -0.000 0.000 0.310 659 G HA3 0.535 4.495 3.960 -0.000 0.000 0.310 659 G C 0.850 175.673 174.900 -0.127 0.000 1.123 659 G CA 0.425 45.441 45.100 -0.139 0.000 0.873 659 G HN 0.405 nan 8.290 nan 0.000 0.460 660 M N 1.050 120.572 119.600 -0.129 0.000 7.319 660 M HA -0.208 4.272 4.480 -0.000 0.000 0.313 660 M C -0.036 176.246 176.300 -0.030 0.000 0.480 660 M CA 1.465 56.731 55.300 -0.057 0.000 1.311 660 M CB -1.265 31.314 32.600 -0.036 0.000 0.421 660 M HN 0.524 nan 8.290 nan 0.000 0.852 661 D N 2.555 122.984 120.400 0.048 0.000 3.057 661 D HA 0.245 4.885 4.640 -0.000 0.000 0.246 661 D C -0.032 176.337 176.300 0.115 0.000 1.238 661 D CA 0.193 54.303 54.000 0.185 0.000 0.949 661 D CB -0.057 40.922 40.800 0.298 0.000 1.086 661 D HN 0.152 nan 8.370 nan 0.000 0.487 662 R N 1.052 121.445 120.500 -0.178 0.000 2.346 662 R HA 0.526 4.866 4.340 -0.000 0.000 0.311 662 R C -0.518 175.546 176.300 -0.393 0.000 0.983 662 R CA -0.469 55.549 56.100 -0.137 0.000 0.880 662 R CB 1.096 31.329 30.300 -0.112 0.000 1.100 662 R HN 0.125 nan 8.270 nan 0.000 0.453 663 Y N 0.703 121.032 120.300 0.048 0.000 2.715 663 Y HA 0.562 5.112 4.550 -0.000 0.000 0.331 663 Y C -0.708 175.214 175.900 0.036 0.000 1.197 663 Y CA -1.163 56.959 58.100 0.037 0.000 1.079 663 Y CB 1.664 40.139 38.460 0.025 0.000 1.298 663 Y HN 0.386 nan 8.280 nan 0.000 0.477 664 L N 2.027 123.395 121.223 0.241 0.000 2.596 664 L HA 0.678 5.018 4.340 -0.000 0.000 0.265 664 L C -2.235 174.726 176.870 0.153 0.000 0.962 664 L CA -0.179 54.751 54.840 0.150 0.000 0.891 664 L CB 0.843 42.966 42.059 0.107 0.000 1.248 664 L HN 0.449 nan 8.230 nan 0.000 0.410 665 I N 4.394 125.042 120.570 0.131 0.000 2.693 665 I HA 0.496 4.666 4.170 -0.000 0.000 0.303 665 I C -1.273 174.958 176.117 0.191 0.000 1.025 665 I CA -0.595 60.787 61.300 0.136 0.000 1.086 665 I CB 1.971 39.996 38.000 0.042 0.000 1.268 665 I HN 0.581 nan 8.210 nan 0.000 0.440 666 Y N 4.819 125.177 120.300 0.097 0.000 2.402 666 Y HA 0.646 5.196 4.550 -0.000 0.000 0.325 666 Y C -1.189 174.800 175.900 0.149 0.000 1.009 666 Y CA -0.981 57.177 58.100 0.096 0.000 1.278 666 Y CB 1.134 39.643 38.460 0.082 0.000 1.105 666 Y HN 0.314 nan 8.280 nan 0.000 0.476 667 V N 5.819 125.561 119.914 -0.287 0.000 2.405 667 V HA 0.037 4.157 4.120 -0.000 0.000 0.264 667 V C 0.279 176.172 176.094 -0.335 0.000 1.048 667 V CA -0.398 61.828 62.300 -0.123 0.000 0.966 667 V CB 0.380 32.216 31.823 0.022 0.000 1.015 667 V HN 0.756 nan 8.190 nan 0.000 0.477 668 D N 4.702 125.041 120.400 -0.103 0.000 2.571 668 D HA -0.102 4.538 4.640 -0.000 0.000 0.231 668 D C 0.944 177.289 176.300 0.075 0.000 1.133 668 D CA 0.133 54.127 54.000 -0.009 0.000 0.862 668 D CB 0.732 41.627 40.800 0.158 0.000 1.179 668 D HN 0.815 nan 8.370 nan 0.000 0.474 669 E N 1.615 121.830 120.200 0.025 0.000 1.999 669 E HA 0.236 4.586 4.350 -0.000 0.000 0.296 669 E C -0.537 176.154 176.600 0.152 0.000 1.187 669 E CA -0.568 55.849 56.400 0.029 0.000 1.229 669 E CB -0.203 29.483 29.700 -0.023 0.000 1.131 669 E HN 0.155 nan 8.360 nan 0.000 0.478 670 S N 1.719 117.607 115.700 0.312 0.000 2.597 670 S HA 0.488 4.958 4.470 -0.000 0.000 0.274 670 S C -1.421 173.331 174.600 0.254 0.000 1.132 670 S CA -0.859 57.490 58.200 0.248 0.000 0.835 670 S CB 1.365 64.661 63.200 0.160 0.000 1.092 670 S HN 0.491 nan 8.310 nan 0.000 0.457 671 R N 0.664 121.270 120.500 0.177 0.000 2.810 671 R HA 0.622 4.962 4.340 -0.000 0.000 0.266 671 R C -1.448 174.934 176.300 0.137 0.000 1.061 671 R CA -0.937 55.231 56.100 0.113 0.000 0.943 671 R CB 1.795 32.129 30.300 0.057 0.000 1.237 671 R HN 0.689 nan 8.270 nan 0.000 0.459 672 E N 0.605 120.906 120.200 0.168 0.000 2.759 672 E HA 0.235 4.585 4.350 -0.000 0.000 0.318 672 E C -1.220 175.535 176.600 0.257 0.000 1.093 672 E CA -0.346 56.195 56.400 0.236 0.000 0.762 672 E CB 1.232 31.129 29.700 0.329 0.000 1.543 672 E HN 0.351 nan 8.360 nan 0.000 0.381 673 c N 0.000 118.686 118.600 0.143 0.000 2.653 673 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 673 c CA 0.000 56.381 56.329 0.087 0.000 1.963 673 c CB 0.000 42.533 42.510 0.039 0.000 2.134 673 c HN 0.000 nan 8.230 nan 0.000 0.568