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 3nm1_1_C DATA FIRST_RESID 2 DATA SEQUENCE KFSKEQFDYS LYLVTDSGMI PEGKTLYGQV EAGLQNGVTL VQIREKDADT DATA SEQUENCE KFFIEEALQI KELCHAHNVP LIINDRIDVA MAIGADGIHV GQDDMPIPMI DATA SEQUENCE RKLVGXXMVI GWSVGFPEEV DELSKMGPXX VDYIGVGTLF PTLTKKNPKK DATA SEQUENCE APMGTAGAIR VLDALERNNA HWCRTVGIGG LHPDNIERVL YQCVSSNGKR DATA SEQUENCE SLDGICVVSD IIASLDAAKS TKILRGLIDK TDYKFVNIGL SXXXSLTTTD DATA SEQUENCE EIQSIISNTL KARPLVQHIT NKVHQNFGAN VTLALGSSPI MSEIQSEVND DATA SEQUENCE LAAIPHATLL LNTGSVAPPE MLKAAIRAYN DVKRPIVFDP VGYSATETRL DATA SEQUENCE LLNNLLLTFG QFSCIKGNSS EILGLAELXX XXXXXXXXXX XXSNELLIQA DATA SEQUENCE TKIVAFKYKT VAVCTGEFDF IADGTIEGKY SLSXXTNGTS VEDIPCVAVE DATA SEQUENCE AGPIXXXXXX XXXGCSLGST IACMIGGQPS EGNLFHAVVA GVMLYKAAGK DATA SEQUENCE IASEKCNGSG SFQVELIDAL YRLTRENTPV TWAPKLTHT 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.314 176.600 -0.477 0.000 0.988 2 K CA 0.000 56.072 56.287 -0.358 0.000 0.838 2 K CB 0.000 32.427 32.500 -0.121 0.000 1.064 3 F N 0.537 120.375 119.950 -0.187 0.000 2.362 3 F HA 0.663 5.190 4.527 -0.000 0.000 0.340 3 F C 0.844 176.574 175.800 -0.117 0.000 1.088 3 F CA -0.465 57.389 58.000 -0.244 0.000 1.096 3 F CB 1.728 40.417 39.000 -0.519 0.000 1.486 3 F HN 0.556 nan 8.300 nan 0.000 0.500 4 S N -1.023 114.755 115.700 0.131 0.000 2.599 4 S HA 0.342 4.812 4.470 -0.000 0.000 0.287 4 S C 0.560 175.317 174.600 0.261 0.000 1.105 4 S CA -0.749 57.545 58.200 0.157 0.000 0.899 4 S CB 1.646 64.903 63.200 0.096 0.000 1.100 4 S HN 0.560 nan 8.310 nan 0.000 0.482 5 K N 1.407 121.993 120.400 0.310 0.000 2.044 5 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 5 K C 1.711 178.509 176.600 0.330 0.000 1.049 5 K CA 1.930 58.444 56.287 0.378 0.000 0.927 5 K CB -0.390 32.250 32.500 0.234 0.000 0.713 5 K HN 0.796 nan 8.250 nan 0.000 0.443 6 E N 1.470 121.791 120.200 0.201 0.000 2.382 6 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 6 E C 1.227 177.880 176.600 0.089 0.000 1.125 6 E CA 0.384 56.872 56.400 0.147 0.000 0.929 6 E CB -0.406 29.363 29.700 0.114 0.000 1.053 6 E HN 0.427 nan 8.360 nan 0.000 0.475 7 Q N -1.734 118.105 119.800 0.064 0.000 2.322 7 Q HA 0.259 4.599 4.340 -0.000 0.000 0.250 7 Q C -0.298 175.555 176.000 -0.244 0.000 0.853 7 Q CA -0.468 55.293 55.803 -0.070 0.000 0.951 7 Q CB 0.591 29.291 28.738 -0.063 0.000 1.114 7 Q HN 0.586 nan 8.270 nan 0.000 0.523 8 F N 1.944 121.717 119.950 -0.296 0.000 2.578 8 F HA -0.032 4.494 4.527 -0.000 0.000 0.376 8 F C 0.521 175.944 175.800 -0.627 0.000 1.085 8 F CA 0.279 57.928 58.000 -0.585 0.000 1.260 8 F CB 0.396 38.953 39.000 -0.739 0.000 1.095 8 F HN -0.105 nan 8.300 nan 0.000 0.573 9 D N 3.414 123.534 120.400 -0.466 0.000 2.472 9 D HA 0.162 4.802 4.640 -0.000 0.000 0.234 9 D C -0.117 175.976 176.300 -0.344 0.000 1.088 9 D CA -0.366 53.442 54.000 -0.321 0.000 0.882 9 D CB 0.115 40.793 40.800 -0.204 0.000 1.037 9 D HN 0.376 nan 8.370 nan 0.000 0.520 10 Y N 1.483 121.713 120.300 -0.117 0.000 2.553 10 Y HA -0.033 4.517 4.550 -0.000 0.000 0.303 10 Y C 2.302 178.161 175.900 -0.069 0.000 1.194 10 Y CA -0.072 57.928 58.100 -0.168 0.000 1.305 10 Y CB -0.133 38.222 38.460 -0.174 0.000 1.045 10 Y HN 0.298 nan 8.280 nan 0.000 0.514 11 S N 0.697 116.435 115.700 0.063 0.000 2.414 11 S HA -0.241 4.229 4.470 -0.000 0.000 0.238 11 S C 0.747 175.391 174.600 0.072 0.000 1.055 11 S CA 1.194 59.431 58.200 0.061 0.000 1.174 11 S CB -0.443 62.772 63.200 0.024 0.000 1.087 11 S HN 0.312 nan 8.310 nan 0.000 0.428 12 L N 1.049 122.305 121.223 0.055 0.000 2.433 12 L HA 0.455 4.795 4.340 -0.000 0.000 0.256 12 L C -1.324 175.614 176.870 0.113 0.000 1.063 12 L CA -0.873 54.008 54.840 0.068 0.000 0.922 12 L CB 0.585 42.664 42.059 0.032 0.000 1.238 12 L HN 0.278 nan 8.230 nan 0.000 0.466 13 Y N 4.689 124.980 120.300 -0.014 0.000 2.365 13 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 13 Y C -0.998 174.883 175.900 -0.032 0.000 1.016 13 Y CA -1.100 56.986 58.100 -0.022 0.000 1.196 13 Y CB 1.441 39.895 38.460 -0.010 0.000 1.167 13 Y HN 0.532 nan 8.280 nan 0.000 0.509 14 L N 7.887 129.272 121.223 0.270 0.000 2.280 14 L HA 0.503 4.843 4.340 -0.000 0.000 0.287 14 L C -1.287 175.572 176.870 -0.019 0.000 1.023 14 L CA -0.649 54.223 54.840 0.053 0.000 0.819 14 L CB 0.888 42.973 42.059 0.043 0.000 1.212 14 L HN 0.349 nan 8.230 nan 0.000 0.420 15 V N 4.464 124.295 119.914 -0.137 0.000 2.427 15 V HA 0.477 4.597 4.120 -0.000 0.000 0.286 15 V C 0.607 176.667 176.094 -0.056 0.000 1.034 15 V CA -0.462 61.755 62.300 -0.139 0.000 0.893 15 V CB 1.613 33.294 31.823 -0.237 0.000 0.982 15 V HN 0.829 nan 8.190 nan 0.000 0.452 16 T N 3.606 118.150 114.554 -0.017 0.000 2.922 16 T HA 0.440 4.790 4.350 -0.000 0.000 0.285 16 T C -0.779 173.922 174.700 0.003 0.000 1.005 16 T CA -0.098 62.005 62.100 0.005 0.000 1.061 16 T CB 0.956 69.843 68.868 0.031 0.000 1.007 16 T HN 0.871 nan 8.240 nan 0.000 0.502 17 D N -0.150 120.257 120.400 0.011 0.000 2.764 17 D HA 0.321 4.960 4.640 -0.000 0.000 0.227 17 D C 0.986 177.302 176.300 0.027 0.000 1.347 17 D CA -0.406 53.601 54.000 0.012 0.000 0.953 17 D CB 1.273 42.077 40.800 0.006 0.000 1.476 17 D HN 0.365 nan 8.370 nan 0.000 0.585 18 S N 1.638 117.360 115.700 0.036 0.000 2.335 18 S HA 0.034 4.504 4.470 -0.000 0.000 0.217 18 S C 1.701 176.322 174.600 0.036 0.000 1.032 18 S CA 0.468 58.703 58.200 0.057 0.000 0.985 18 S CB -0.385 62.871 63.200 0.093 0.000 0.896 18 S HN 0.471 nan 8.310 nan 0.000 0.445 19 G N 0.702 109.515 108.800 0.021 0.000 3.008 19 G HA2 0.532 4.492 3.960 -0.000 0.000 0.272 19 G HA3 0.532 4.492 3.960 -0.000 0.000 0.272 19 G C 0.036 174.943 174.900 0.012 0.000 0.764 19 G CA -0.117 44.990 45.100 0.011 0.000 2.029 19 G HN 0.549 nan 8.290 nan 0.000 0.587 20 M N 0.875 120.485 119.600 0.016 0.000 1.896 20 M HA 0.180 4.660 4.480 -0.000 0.000 0.408 20 M C -0.387 175.925 176.300 0.020 0.000 0.895 20 M CA -0.085 55.225 55.300 0.017 0.000 1.171 20 M CB 0.249 32.860 32.600 0.018 0.000 2.403 20 M HN 0.148 nan 8.290 nan 0.000 0.882 21 I N 4.448 125.032 120.570 0.024 0.000 2.598 21 I HA 0.161 4.331 4.170 -0.000 0.000 0.284 21 I C -1.955 174.175 176.117 0.023 0.000 1.140 21 I CA -1.415 59.902 61.300 0.028 0.000 1.420 21 I CB 0.192 38.215 38.000 0.038 0.000 1.387 21 I HN 0.081 nan 8.210 nan 0.000 0.553 22 P HA 0.133 nan 4.420 nan 0.000 0.269 22 P C -0.220 177.090 177.300 0.017 0.000 1.215 22 P CA -0.204 62.905 63.100 0.016 0.000 0.780 22 P CB 0.389 32.098 31.700 0.015 0.000 0.898 23 E N 0.930 121.138 120.200 0.012 0.000 2.415 23 E HA 0.390 4.740 4.350 -0.000 0.000 0.260 23 E C 1.250 177.858 176.600 0.014 0.000 1.016 23 E CA 0.077 56.484 56.400 0.011 0.000 0.924 23 E CB -1.020 28.684 29.700 0.007 0.000 0.961 23 E HN 0.903 nan 8.360 nan 0.000 0.459 24 G N 2.102 110.911 108.800 0.016 0.000 2.159 24 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.227 24 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.227 24 G C 0.329 175.244 174.900 0.026 0.000 0.986 24 G CA 0.392 45.503 45.100 0.018 0.000 0.651 24 G HN 0.701 nan 8.290 nan 0.000 0.523 25 K N 0.744 121.163 120.400 0.031 0.000 2.318 25 K HA 0.685 5.005 4.320 -0.000 0.000 0.249 25 K C 0.271 176.903 176.600 0.054 0.000 0.942 25 K CA -0.237 56.076 56.287 0.043 0.000 0.808 25 K CB 1.912 34.435 32.500 0.039 0.000 1.189 25 K HN 0.246 nan 8.250 nan 0.000 0.428 26 T N -1.248 113.352 114.554 0.076 0.000 2.937 26 T HA 0.236 4.586 4.350 -0.000 0.000 0.283 26 T C 0.920 175.690 174.700 0.115 0.000 1.012 26 T CA -0.906 61.254 62.100 0.099 0.000 0.997 26 T CB 0.989 69.929 68.868 0.121 0.000 1.136 26 T HN 0.430 nan 8.240 nan 0.000 0.551 27 L N 0.027 121.331 121.223 0.135 0.000 2.027 27 L HA 0.066 4.406 4.340 -0.000 0.000 0.206 27 L C 2.351 179.300 176.870 0.132 0.000 1.074 27 L CA 1.546 56.459 54.840 0.121 0.000 0.745 27 L CB -1.068 41.071 42.059 0.132 0.000 0.898 27 L HN 0.824 nan 8.230 nan 0.000 0.433 28 Y N -0.026 120.301 120.300 0.046 0.000 2.207 28 Y HA -0.194 4.356 4.550 -0.000 0.000 0.287 28 Y C 2.210 178.128 175.900 0.029 0.000 1.156 28 Y CA 1.753 59.875 58.100 0.037 0.000 1.182 28 Y CB -0.591 37.895 38.460 0.043 0.000 0.979 28 Y HN 0.250 nan 8.280 nan 0.000 0.521 29 G N -0.215 108.740 108.800 0.258 0.000 2.459 29 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 29 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 29 G C 1.420 176.356 174.900 0.059 0.000 1.183 29 G CA 1.050 46.250 45.100 0.166 0.000 0.776 29 G HN 0.348 nan 8.290 nan 0.000 0.552 30 Q N 0.113 119.936 119.800 0.038 0.000 2.046 30 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 30 Q C 3.020 178.997 176.000 -0.039 0.000 0.975 30 Q CA 1.065 56.871 55.803 0.005 0.000 0.836 30 Q CB -0.978 27.769 28.738 0.015 0.000 0.896 30 Q HN 0.381 nan 8.270 nan 0.000 0.428 31 V N 1.555 121.432 119.914 -0.062 0.000 2.469 31 V HA -0.253 3.867 4.120 -0.000 0.000 0.251 31 V C 2.320 178.301 176.094 -0.189 0.000 1.064 31 V CA 2.009 64.243 62.300 -0.110 0.000 1.066 31 V CB -0.545 31.210 31.823 -0.113 0.000 0.667 31 V HN 0.421 nan 8.190 nan 0.000 0.461 32 E N 0.458 120.514 120.200 -0.240 0.000 2.028 32 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 32 E C 2.298 178.798 176.600 -0.167 0.000 0.988 32 E CA 1.293 57.535 56.400 -0.263 0.000 0.799 32 E CB -0.323 29.240 29.700 -0.227 0.000 0.755 32 E HN 0.522 nan 8.360 nan 0.000 0.447 33 A N 0.576 123.345 122.820 -0.085 0.000 1.997 33 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 33 A C 2.311 179.855 177.584 -0.066 0.000 1.172 33 A CA 1.980 53.987 52.037 -0.050 0.000 0.645 33 A CB -1.143 17.846 19.000 -0.018 0.000 0.813 33 A HN 0.479 nan 8.150 nan 0.000 0.454 34 G N -0.931 107.817 108.800 -0.086 0.000 2.453 34 G HA2 0.044 4.004 3.960 -0.000 0.000 0.215 34 G HA3 0.044 4.004 3.960 -0.000 0.000 0.215 34 G C 1.501 176.336 174.900 -0.108 0.000 1.147 34 G CA 0.702 45.757 45.100 -0.076 0.000 0.802 34 G HN 0.428 nan 8.290 nan 0.000 0.535 35 L N -0.169 120.938 121.223 -0.193 0.000 2.072 35 L HA -0.052 4.287 4.340 -0.000 0.000 0.205 35 L C 3.075 179.812 176.870 -0.223 0.000 1.079 35 L CA 0.903 55.575 54.840 -0.280 0.000 0.752 35 L CB -0.417 41.294 42.059 -0.581 0.000 0.906 35 L HN 0.246 nan 8.230 nan 0.000 0.436 36 Q N -0.092 119.592 119.800 -0.193 0.000 2.226 36 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 36 Q C 0.821 176.808 176.000 -0.021 0.000 0.975 36 Q CA 1.009 56.779 55.803 -0.055 0.000 0.866 36 Q CB 0.020 28.747 28.738 -0.018 0.000 0.915 36 Q HN 0.485 nan 8.270 nan 0.000 0.440 37 N N -1.616 117.062 118.700 -0.037 0.000 2.282 37 N HA 0.148 4.888 4.740 -0.000 0.000 0.240 37 N C 0.244 175.744 175.510 -0.017 0.000 1.182 37 N CA 0.747 53.787 53.050 -0.017 0.000 0.874 37 N CB 1.870 40.349 38.487 -0.013 0.000 1.126 37 N HN 0.321 nan 8.380 nan 0.000 0.516 38 G N -0.352 108.433 108.800 -0.025 0.000 2.227 38 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.168 38 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.168 38 G C 0.061 174.948 174.900 -0.022 0.000 1.006 38 G CA -0.380 44.709 45.100 -0.018 0.000 0.684 38 G HN 0.130 nan 8.290 nan 0.000 0.489 39 V N 1.849 121.744 119.914 -0.032 0.000 2.788 39 V HA 0.410 4.530 4.120 -0.000 0.000 0.307 39 V C 1.679 177.747 176.094 -0.042 0.000 1.069 39 V CA 1.834 64.118 62.300 -0.026 0.000 1.173 39 V CB 1.362 33.166 31.823 -0.031 0.000 0.925 39 V HN 0.928 nan 8.190 nan 0.000 0.492 40 T N 1.199 115.725 114.554 -0.047 0.000 3.130 40 T HA 0.448 4.798 4.350 -0.000 0.000 0.288 40 T C -0.472 174.127 174.700 -0.169 0.000 0.936 40 T CA -0.121 61.921 62.100 -0.098 0.000 0.897 40 T CB 0.183 68.995 68.868 -0.093 0.000 1.178 40 T HN 0.331 nan 8.240 nan 0.000 0.543 41 L N 0.656 121.803 121.223 -0.126 0.000 2.582 41 L HA 0.819 5.159 4.340 -0.000 0.000 0.257 41 L C -2.102 174.790 176.870 0.036 0.000 0.974 41 L CA -0.802 53.926 54.840 -0.186 0.000 0.851 41 L CB 2.396 44.140 42.059 -0.526 0.000 1.424 41 L HN 0.006 nan 8.230 nan 0.000 0.412 42 V N 2.934 122.904 119.914 0.093 0.000 2.668 42 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 42 V C -0.944 175.313 176.094 0.271 0.000 1.071 42 V CA -0.472 61.944 62.300 0.194 0.000 0.894 42 V CB 1.850 33.722 31.823 0.081 0.000 1.008 42 V HN 0.847 nan 8.190 nan 0.000 0.425 43 Q N 5.003 124.987 119.800 0.307 0.000 2.293 43 Q HA 0.648 4.988 4.340 -0.000 0.000 0.261 43 Q C -1.339 174.745 176.000 0.140 0.000 0.960 43 Q CA -0.596 55.348 55.803 0.236 0.000 0.882 43 Q CB 1.810 30.643 28.738 0.158 0.000 1.275 43 Q HN 0.726 nan 8.270 nan 0.000 0.445 44 I N 4.127 124.797 120.570 0.166 0.000 2.331 44 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 44 I C -0.122 176.109 176.117 0.190 0.000 0.998 44 I CA -0.501 60.898 61.300 0.166 0.000 1.267 44 I CB 1.350 39.479 38.000 0.214 0.000 1.386 44 I HN 0.627 nan 8.210 nan 0.000 0.476 45 R N 5.632 126.189 120.500 0.095 0.000 2.371 45 R HA 0.312 4.652 4.340 -0.000 0.000 0.312 45 R C -1.108 175.144 176.300 -0.080 0.000 0.980 45 R CA -0.440 55.688 56.100 0.046 0.000 0.867 45 R CB 1.039 31.355 30.300 0.026 0.000 1.163 45 R HN 0.486 nan 8.270 nan 0.000 0.492 46 E N 4.123 124.167 120.200 -0.260 0.000 2.331 46 E HA 0.162 4.512 4.350 -0.000 0.000 0.243 46 E C -0.305 176.109 176.600 -0.311 0.000 0.925 46 E CA -0.525 55.610 56.400 -0.442 0.000 0.760 46 E CB 1.666 30.727 29.700 -1.065 0.000 1.254 46 E HN 0.484 nan 8.360 nan 0.000 0.419 47 K N 0.877 121.196 120.400 -0.134 0.000 2.305 47 K HA 0.039 4.359 4.320 -0.000 0.000 0.199 47 K C 0.451 177.019 176.600 -0.053 0.000 1.047 47 K CA 0.613 56.862 56.287 -0.063 0.000 0.976 47 K CB 0.710 33.197 32.500 -0.022 0.000 0.765 47 K HN 0.291 nan 8.250 nan 0.000 0.474 48 D N 0.187 120.547 120.400 -0.067 0.000 2.597 48 D HA 0.117 4.757 4.640 -0.000 0.000 0.261 48 D C 0.800 177.091 176.300 -0.015 0.000 1.023 48 D CA 0.174 54.157 54.000 -0.030 0.000 0.927 48 D CB 0.190 40.978 40.800 -0.021 0.000 1.168 48 D HN -0.017 nan 8.370 nan 0.000 0.491 49 A N 1.251 124.062 122.820 -0.016 0.000 2.377 49 A HA 0.029 4.349 4.320 -0.000 0.000 0.274 49 A C 0.287 177.931 177.584 0.099 0.000 1.178 49 A CA 0.362 52.446 52.037 0.078 0.000 0.836 49 A CB 0.067 19.236 19.000 0.281 0.000 1.111 49 A HN -0.007 nan 8.150 nan 0.000 0.517 50 D N -0.830 119.680 120.400 0.183 0.000 2.193 50 D HA 0.286 4.926 4.640 -0.000 0.000 0.249 50 D C 0.927 177.377 176.300 0.250 0.000 1.034 50 D CA 0.045 54.151 54.000 0.176 0.000 0.902 50 D CB 1.326 42.212 40.800 0.144 0.000 1.182 50 D HN 0.526 nan 8.370 nan 0.000 0.436 51 T N 1.109 115.796 114.554 0.220 0.000 2.802 51 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 51 T C 1.665 176.484 174.700 0.199 0.000 1.062 51 T CA 1.385 63.629 62.100 0.240 0.000 1.133 51 T CB 0.155 69.112 68.868 0.148 0.000 0.852 51 T HN 0.409 nan 8.240 nan 0.000 0.485 52 K N 0.016 120.523 120.400 0.178 0.000 2.021 52 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 52 K C 2.054 178.768 176.600 0.190 0.000 1.047 52 K CA 0.728 57.103 56.287 0.148 0.000 0.943 52 K CB -0.291 32.284 32.500 0.126 0.000 0.725 52 K HN 0.282 nan 8.250 nan 0.000 0.439 53 F N 1.351 121.369 119.950 0.113 0.000 2.161 53 F HA -0.217 4.311 4.527 0.000 0.000 0.300 53 F C 1.820 177.736 175.800 0.193 0.000 1.089 53 F CA 1.070 59.138 58.000 0.113 0.000 1.282 53 F CB -0.441 38.603 39.000 0.075 0.000 1.010 53 F HN 0.069 nan 8.300 nan 0.000 0.485 54 F N 1.588 121.447 119.950 -0.152 0.000 2.027 54 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 54 F C 2.277 177.939 175.800 -0.231 0.000 1.129 54 F CA 1.955 59.820 58.000 -0.224 0.000 1.195 54 F CB -1.241 37.738 39.000 -0.036 0.000 0.960 54 F HN 0.034 nan 8.300 nan 0.000 0.485 55 I N 0.143 120.720 120.570 0.012 0.000 2.151 55 I HA -0.358 3.812 4.170 -0.000 0.000 0.243 55 I C 2.343 178.415 176.117 -0.075 0.000 1.080 55 I CA 1.901 63.141 61.300 -0.099 0.000 1.339 55 I CB -0.792 37.169 38.000 -0.065 0.000 1.039 55 I HN 0.251 nan 8.210 nan 0.000 0.409 56 E N 0.255 120.417 120.200 -0.062 0.000 2.130 56 E HA -0.290 4.060 4.350 -0.000 0.000 0.196 56 E C 2.031 178.574 176.600 -0.095 0.000 0.998 56 E CA 1.509 57.880 56.400 -0.048 0.000 0.806 56 E CB -0.070 29.645 29.700 0.025 0.000 0.738 56 E HN 0.512 nan 8.360 nan 0.000 0.459 57 E N -0.692 119.375 120.200 -0.222 0.000 2.415 57 E HA 0.053 4.403 4.350 -0.000 0.000 0.197 57 E C 1.793 178.357 176.600 -0.059 0.000 1.007 57 E CA 0.409 56.699 56.400 -0.184 0.000 0.890 57 E CB 0.217 29.656 29.700 -0.435 0.000 0.891 57 E HN 0.188 nan 8.360 nan 0.000 0.496 58 A N 0.999 123.790 122.820 -0.048 0.000 1.929 58 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 58 A C 2.046 179.608 177.584 -0.038 0.000 1.176 58 A CA 0.673 52.694 52.037 -0.027 0.000 0.628 58 A CB -0.386 18.560 19.000 -0.090 0.000 0.816 58 A HN 0.248 nan 8.150 nan 0.000 0.444 59 L N -0.878 120.320 121.223 -0.041 0.000 2.156 59 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 59 L C 2.819 179.689 176.870 0.000 0.000 1.095 59 L CA 1.577 56.399 54.840 -0.029 0.000 0.770 59 L CB -0.503 41.543 42.059 -0.022 0.000 0.914 59 L HN 0.595 nan 8.230 nan 0.000 0.439 60 Q N 0.391 120.208 119.800 0.027 0.000 2.230 60 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 60 Q C 2.161 178.248 176.000 0.144 0.000 0.963 60 Q CA 1.152 57.012 55.803 0.095 0.000 0.866 60 Q CB 0.296 29.099 28.738 0.109 0.000 0.931 60 Q HN 0.538 nan 8.270 nan 0.000 0.452 61 I N 0.051 120.663 120.570 0.071 0.000 3.265 61 I HA -0.112 4.058 4.170 -0.000 0.000 0.282 61 I C 2.301 178.401 176.117 -0.028 0.000 1.207 61 I CA 0.256 61.573 61.300 0.029 0.000 1.449 61 I CB 0.048 38.061 38.000 0.021 0.000 1.121 61 I HN 0.114 nan 8.210 nan 0.000 0.442 62 K N 1.540 121.901 120.400 -0.066 0.000 2.057 62 K HA -0.274 4.046 4.320 -0.000 0.000 0.207 62 K C 1.949 178.392 176.600 -0.262 0.000 1.049 62 K CA 1.896 58.059 56.287 -0.207 0.000 0.931 62 K CB -0.051 32.316 32.500 -0.221 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 E N 0.942 121.082 120.200 -0.100 0.000 2.033 63 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 63 E C 2.102 178.733 176.600 0.052 0.000 1.011 63 E CA 1.488 57.881 56.400 -0.011 0.000 0.815 63 E CB -0.291 29.439 29.700 0.050 0.000 0.755 63 E HN 0.386 nan 8.360 nan 0.000 0.451 64 L N 0.550 121.818 121.223 0.075 0.000 2.089 64 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 64 L C 2.341 179.304 176.870 0.154 0.000 1.079 64 L CA 1.676 56.562 54.840 0.077 0.000 0.758 64 L CB -0.378 41.587 42.059 -0.157 0.000 0.891 64 L HN 0.535 nan 8.230 nan 0.000 0.433 65 C N -0.930 118.423 119.300 0.088 0.000 2.541 65 C HA -0.120 4.340 4.460 -0.000 0.000 0.282 65 C C 2.499 177.676 174.990 0.312 0.000 1.263 65 C CA 0.296 59.411 59.018 0.162 0.000 1.709 65 C CB -1.156 26.648 27.740 0.106 0.000 2.097 65 C HN 0.582 nan 8.230 nan 0.000 0.480 66 H N 1.029 120.179 119.070 0.132 0.000 2.518 66 H HA -0.048 4.508 4.556 0.000 0.000 0.294 66 H C 2.118 177.476 175.328 0.050 0.000 1.083 66 H CA 1.369 57.476 56.048 0.099 0.000 1.264 66 H CB -0.614 29.167 29.762 0.032 0.000 1.370 66 H HN 0.532 nan 8.280 nan 0.000 0.560 67 A N -0.247 122.674 122.820 0.169 0.000 2.067 67 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 67 A C 1.138 178.621 177.584 -0.168 0.000 1.156 67 A CA 0.869 52.898 52.037 -0.013 0.000 0.683 67 A CB -0.190 18.775 19.000 -0.059 0.000 0.808 67 A HN 0.439 nan 8.150 nan 0.000 0.455 68 H N -1.885 117.226 119.070 0.067 0.000 2.594 68 H HA 0.215 4.771 4.556 -0.000 0.000 0.279 68 H C 0.460 175.824 175.328 0.059 0.000 1.042 68 H CA 0.216 56.290 56.048 0.043 0.000 1.177 68 H CB 0.048 29.821 29.762 0.019 0.000 1.524 68 H HN 0.543 nan 8.280 nan 0.000 0.537 69 N N 0.314 119.127 118.700 0.189 0.000 2.758 69 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 69 N C -1.076 174.571 175.510 0.228 0.000 1.076 69 N CA 0.667 53.852 53.050 0.225 0.000 0.696 69 N CB -0.961 37.600 38.487 0.123 0.000 0.979 69 N HN 0.255 nan 8.380 nan 0.000 0.550 70 V N -0.045 119.995 119.914 0.211 0.000 2.495 70 V HA 0.779 4.899 4.120 -0.000 0.000 0.298 70 V C -2.117 173.986 176.094 0.015 0.000 1.031 70 V CA -1.829 60.448 62.300 -0.039 0.000 0.871 70 V CB 1.725 33.536 31.823 -0.020 0.000 0.988 70 V HN 0.069 nan 8.190 nan 0.000 0.432 71 P HA 0.285 nan 4.420 nan 0.000 0.280 71 P C -1.334 176.068 177.300 0.170 0.000 1.278 71 P CA -0.289 62.744 63.100 -0.110 0.000 0.787 71 P CB 0.388 31.773 31.700 -0.525 0.000 1.163 72 L N -0.172 121.212 121.223 0.268 0.000 2.482 72 L HA 0.475 4.815 4.340 -0.000 0.000 0.269 72 L C -1.226 175.776 176.870 0.220 0.000 0.967 72 L CA -0.329 54.626 54.840 0.191 0.000 0.851 72 L CB 0.767 42.894 42.059 0.114 0.000 1.242 72 L HN 0.133 nan 8.230 nan 0.000 0.404 73 I N 4.943 125.648 120.570 0.226 0.000 2.566 73 I HA 0.477 4.647 4.170 -0.000 0.000 0.303 73 I C -0.280 175.974 176.117 0.228 0.000 0.983 73 I CA -0.270 61.182 61.300 0.253 0.000 1.235 73 I CB 1.695 39.891 38.000 0.326 0.000 1.386 73 I HN 0.468 nan 8.210 nan 0.000 0.494 74 I N 3.465 124.164 120.570 0.215 0.000 2.433 74 I HA 0.245 4.415 4.170 -0.000 0.000 0.292 74 I C -0.389 175.875 176.117 0.245 0.000 1.001 74 I CA -0.644 60.775 61.300 0.197 0.000 1.119 74 I CB 1.808 39.859 38.000 0.084 0.000 1.289 74 I HN 0.550 nan 8.210 nan 0.000 0.438 75 N N 3.738 122.609 118.700 0.284 0.000 2.497 75 N HA 0.059 4.799 4.740 -0.000 0.000 0.271 75 N C 0.549 176.210 175.510 0.252 0.000 1.142 75 N CA 0.147 53.364 53.050 0.278 0.000 0.965 75 N CB 0.545 39.174 38.487 0.235 0.000 1.077 75 N HN 0.687 nan 8.380 nan 0.000 0.462 76 D N 0.520 121.039 120.400 0.198 0.000 3.030 76 D HA -0.346 4.294 4.640 -0.000 0.000 0.194 76 D C -0.477 175.905 176.300 0.137 0.000 1.199 76 D CA 1.368 55.456 54.000 0.146 0.000 0.891 76 D CB -0.579 40.293 40.800 0.121 0.000 0.954 76 D HN 0.542 nan 8.370 nan 0.000 0.366 77 R N 0.085 120.685 120.500 0.167 0.000 2.825 77 R HA 0.327 4.667 4.340 -0.000 0.000 0.261 77 R C 1.123 177.443 176.300 0.034 0.000 1.341 77 R CA -0.382 55.788 56.100 0.116 0.000 1.353 77 R CB 0.560 30.968 30.300 0.179 0.000 1.191 77 R HN 0.264 nan 8.270 nan 0.000 0.590 78 I N 2.597 123.191 120.570 0.039 0.000 2.127 78 I HA -0.330 3.839 4.170 -0.000 0.000 0.241 78 I C 1.859 177.974 176.117 -0.004 0.000 1.075 78 I CA 2.135 63.448 61.300 0.022 0.000 1.334 78 I CB -0.110 37.904 38.000 0.023 0.000 1.040 78 I HN 0.502 nan 8.210 nan 0.000 0.405 79 D N 0.689 121.086 120.400 -0.005 0.000 2.126 79 D HA -0.233 4.407 4.640 -0.000 0.000 0.190 79 D C 2.068 178.335 176.300 -0.056 0.000 1.001 79 D CA 2.387 56.376 54.000 -0.019 0.000 0.841 79 D CB -1.450 39.346 40.800 -0.005 0.000 0.949 79 D HN 0.336 nan 8.370 nan 0.000 0.446 80 V N 1.384 121.235 119.914 -0.105 0.000 2.380 80 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 80 V C 2.866 178.853 176.094 -0.179 0.000 1.063 80 V CA 2.056 64.226 62.300 -0.218 0.000 1.055 80 V CB -1.132 30.385 31.823 -0.509 0.000 0.657 80 V HN 0.486 nan 8.190 nan 0.000 0.455 81 A N 0.314 123.064 122.820 -0.116 0.000 1.845 81 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 81 A C 2.255 179.822 177.584 -0.028 0.000 1.195 81 A CA 2.341 54.344 52.037 -0.057 0.000 0.616 81 A CB -0.507 18.493 19.000 0.001 0.000 0.832 81 A HN 0.516 nan 8.150 nan 0.000 0.443 82 M N -0.142 119.449 119.600 -0.015 0.000 2.073 82 M HA -0.172 4.308 4.480 -0.000 0.000 0.258 82 M C 2.483 178.773 176.300 -0.016 0.000 1.070 82 M CA 1.678 56.976 55.300 -0.004 0.000 1.103 82 M CB -1.018 31.581 32.600 -0.003 0.000 1.321 82 M HN 0.413 nan 8.290 nan 0.000 0.405 83 A N 1.780 124.580 122.820 -0.034 0.000 1.923 83 A HA -0.228 4.092 4.320 -0.000 0.000 0.222 83 A C 2.043 179.605 177.584 -0.037 0.000 1.258 83 A CA 2.743 54.757 52.037 -0.039 0.000 0.670 83 A CB -1.241 17.721 19.000 -0.063 0.000 0.834 83 A HN 0.781 nan 8.150 nan 0.000 0.470 84 I N -4.540 116.000 120.570 -0.051 0.000 3.928 84 I HA 0.563 4.733 4.170 -0.000 0.000 0.335 84 I C 0.995 177.105 176.117 -0.012 0.000 1.325 84 I CA 0.506 61.781 61.300 -0.041 0.000 1.107 84 I CB -0.106 37.851 38.000 -0.072 0.000 1.014 84 I HN 0.551 nan 8.210 nan 0.000 0.400 85 G N 1.840 110.643 108.800 0.006 0.000 2.314 85 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.292 85 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.292 85 G C 0.435 175.380 174.900 0.075 0.000 1.059 85 G CA 0.128 45.253 45.100 0.041 0.000 0.982 85 G HN 0.979 nan 8.290 nan 0.000 0.505 86 A N -0.539 122.320 122.820 0.065 0.000 2.387 86 A HA 0.537 4.857 4.320 -0.000 0.000 0.251 86 A C 1.278 178.971 177.584 0.182 0.000 1.113 86 A CA 0.733 52.836 52.037 0.110 0.000 0.794 86 A CB 0.369 19.418 19.000 0.082 0.000 1.069 86 A HN 0.320 nan 8.150 nan 0.000 0.506 87 D N -0.601 119.958 120.400 0.264 0.000 2.367 87 D HA 0.315 4.955 4.640 -0.000 0.000 0.207 87 D C 0.644 177.159 176.300 0.358 0.000 1.034 87 D CA 1.379 55.591 54.000 0.354 0.000 0.861 87 D CB 0.418 41.513 40.800 0.491 0.000 0.943 87 D HN 0.768 nan 8.370 nan 0.000 0.515 88 G N 0.728 109.690 108.800 0.269 0.000 2.579 88 G HA2 0.494 4.454 3.960 -0.000 0.000 0.292 88 G HA3 0.494 4.454 3.960 -0.000 0.000 0.292 88 G C -1.394 173.628 174.900 0.204 0.000 1.484 88 G CA -0.861 44.368 45.100 0.214 0.000 0.813 88 G HN 0.097 nan 8.290 nan 0.000 0.515 89 I N -1.411 119.270 120.570 0.184 0.000 2.846 89 I HA 0.893 5.062 4.170 -0.000 0.000 0.307 89 I C -1.181 175.090 176.117 0.256 0.000 1.053 89 I CA -1.262 60.154 61.300 0.194 0.000 1.050 89 I CB 2.672 40.743 38.000 0.119 0.000 1.239 89 I HN 0.635 nan 8.210 nan 0.000 0.439 90 H N 4.881 124.056 119.070 0.176 0.000 2.970 90 H HA 0.619 5.175 4.556 -0.000 0.000 0.315 90 H C -1.445 173.964 175.328 0.134 0.000 0.992 90 H CA -0.584 55.564 56.048 0.168 0.000 1.363 90 H CB 1.398 31.334 29.762 0.291 0.000 1.532 90 H HN 0.687 nan 8.280 nan 0.000 0.514 91 V N 2.842 122.612 119.914 -0.241 0.000 2.732 91 V HA 0.910 5.030 4.120 -0.000 0.000 0.310 91 V C 0.621 176.623 176.094 -0.153 0.000 1.053 91 V CA -0.047 62.200 62.300 -0.088 0.000 0.957 91 V CB 1.514 33.358 31.823 0.036 0.000 1.018 91 V HN 0.797 nan 8.190 nan 0.000 0.452 92 G N 0.910 109.684 108.800 -0.043 0.000 2.606 92 G HA2 0.408 4.367 3.960 -0.000 0.000 0.262 92 G HA3 0.408 4.367 3.960 -0.000 0.000 0.262 92 G C 0.122 174.977 174.900 -0.075 0.000 1.394 92 G CA -0.124 44.919 45.100 -0.095 0.000 1.044 92 G HN 0.746 nan 8.290 nan 0.000 0.553 93 Q N -1.270 118.437 119.800 -0.156 0.000 2.331 93 Q HA 0.062 4.402 4.340 -0.000 0.000 0.203 93 Q C 0.984 176.980 176.000 -0.006 0.000 0.944 93 Q CA 1.121 56.832 55.803 -0.153 0.000 0.892 93 Q CB 0.265 28.858 28.738 -0.242 0.000 0.983 93 Q HN 0.465 nan 8.270 nan 0.000 0.482 94 D N 0.133 120.532 120.400 -0.000 0.000 2.368 94 D HA 0.075 4.715 4.640 -0.000 0.000 0.218 94 D C -0.455 175.871 176.300 0.043 0.000 1.112 94 D CA 0.069 54.081 54.000 0.020 0.000 0.834 94 D CB 0.306 41.108 40.800 0.004 0.000 0.953 94 D HN 0.205 nan 8.370 nan 0.000 0.505 95 D N -0.159 120.280 120.400 0.064 0.000 2.496 95 D HA 0.130 4.770 4.640 -0.000 0.000 0.283 95 D C 0.613 176.959 176.300 0.076 0.000 1.214 95 D CA -0.590 53.451 54.000 0.069 0.000 1.089 95 D CB 0.577 41.421 40.800 0.074 0.000 1.141 95 D HN -0.054 nan 8.370 nan 0.000 0.580 96 M N 1.017 120.653 119.600 0.060 0.000 2.252 96 M HA 0.103 4.583 4.480 -0.000 0.000 0.348 96 M C -2.255 174.066 176.300 0.036 0.000 1.334 96 M CA -0.759 54.565 55.300 0.040 0.000 1.071 96 M CB 0.653 33.268 32.600 0.024 0.000 1.763 96 M HN -0.061 nan 8.290 nan 0.000 0.452 97 P HA -0.069 nan 4.420 nan 0.000 0.266 97 P C 0.512 177.760 177.300 -0.086 0.000 1.193 97 P CA -0.131 62.962 63.100 -0.012 0.000 0.770 97 P CB 0.380 32.070 31.700 -0.016 0.000 0.836 98 I N 4.102 124.551 120.570 -0.201 0.000 2.252 98 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 98 I C -0.638 175.366 176.117 -0.188 0.000 1.102 98 I CA 1.683 62.815 61.300 -0.280 0.000 1.385 98 I CB -2.524 35.149 38.000 -0.545 0.000 1.064 98 I HN 0.376 nan 8.210 nan 0.000 0.414 99 P HA -0.193 nan 4.420 nan 0.000 0.215 99 P C 2.065 179.316 177.300 -0.081 0.000 1.157 99 P CA 1.770 64.802 63.100 -0.114 0.000 0.874 99 P CB -0.112 31.532 31.700 -0.093 0.000 0.790 100 M N -1.191 118.370 119.600 -0.065 0.000 2.108 100 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 100 M C 2.376 178.651 176.300 -0.042 0.000 1.066 100 M CA 1.758 57.032 55.300 -0.043 0.000 1.107 100 M CB -0.808 31.775 32.600 -0.028 0.000 1.356 100 M HN -0.157 nan 8.290 nan 0.000 0.406 101 I N -0.472 120.067 120.570 -0.052 0.000 2.208 101 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 101 I C 2.564 178.655 176.117 -0.044 0.000 1.097 101 I CA 1.297 62.571 61.300 -0.043 0.000 1.363 101 I CB -0.584 37.382 38.000 -0.057 0.000 1.051 101 I HN 0.273 nan 8.210 nan 0.000 0.413 102 R N 1.577 122.039 120.500 -0.063 0.000 2.189 102 R HA -0.100 4.240 4.340 -0.000 0.000 0.218 102 R C 2.005 178.280 176.300 -0.043 0.000 1.074 102 R CA 1.241 57.307 56.100 -0.057 0.000 0.991 102 R CB -0.297 29.954 30.300 -0.081 0.000 0.883 102 R HN 0.191 nan 8.270 nan 0.000 0.457 103 K N -0.065 120.310 120.400 -0.041 0.000 2.525 103 K HA 0.062 4.382 4.320 -0.000 0.000 0.192 103 K C 0.149 176.736 176.600 -0.022 0.000 1.029 103 K CA 0.495 56.763 56.287 -0.032 0.000 1.029 103 K CB 0.230 32.711 32.500 -0.032 0.000 0.814 103 K HN 0.241 nan 8.250 nan 0.000 0.503 104 L N 0.272 121.484 121.223 -0.018 0.000 3.168 104 L HA 0.133 4.473 4.340 -0.000 0.000 0.277 104 L C 0.545 177.412 176.870 -0.005 0.000 1.245 104 L CA -0.310 54.524 54.840 -0.010 0.000 1.035 104 L CB 1.015 43.070 42.059 -0.007 0.000 1.399 104 L HN -0.049 nan 8.230 nan 0.000 0.580 105 V N -4.992 114.918 119.914 -0.006 0.000 3.062 105 V HA 0.688 4.808 4.120 -0.000 0.000 0.231 105 V C 0.705 176.802 176.094 0.004 0.000 1.632 105 V CA 0.155 62.458 62.300 0.004 0.000 1.115 105 V CB 0.217 32.047 31.823 0.013 0.000 1.041 105 V HN 0.313 nan 8.190 nan 0.000 0.443 110 V N 4.305 124.294 119.914 0.126 0.000 2.465 110 V HA 0.533 4.653 4.120 -0.000 0.000 0.279 110 V C -0.376 175.764 176.094 0.077 0.000 1.045 110 V CA -0.222 62.106 62.300 0.047 0.000 0.938 110 V CB 1.500 33.191 31.823 -0.221 0.000 0.986 110 V HN 0.631 nan 8.190 nan 0.000 0.467 111 I N 4.005 124.608 120.570 0.054 0.000 2.436 111 I HA 0.564 4.734 4.170 -0.000 0.000 0.289 111 I C 0.574 176.590 176.117 -0.169 0.000 1.010 111 I CA -0.332 60.966 61.300 -0.004 0.000 1.098 111 I CB 1.972 39.934 38.000 -0.062 0.000 1.266 111 I HN 0.705 nan 8.210 nan 0.000 0.434 112 G N 4.971 113.580 108.800 -0.319 0.000 2.371 112 G HA2 0.445 4.405 3.960 -0.000 0.000 0.326 112 G HA3 0.445 4.405 3.960 -0.000 0.000 0.326 112 G C -2.104 172.491 174.900 -0.510 0.000 1.127 112 G CA -0.229 44.282 45.100 -0.981 0.000 0.885 112 G HN 0.496 nan 8.290 nan 0.000 0.477 113 W N 1.750 122.692 121.300 -0.596 0.000 2.656 113 W HA 0.562 5.222 4.660 -0.000 0.000 0.327 113 W C -0.161 176.209 176.519 -0.248 0.000 1.041 113 W CA -1.334 55.767 57.345 -0.406 0.000 1.229 113 W CB 2.011 31.335 29.460 -0.226 0.000 1.397 113 W HN 0.380 nan 8.180 nan 0.000 0.479 114 S N 3.806 119.306 115.700 -0.333 0.000 2.416 114 S HA 0.375 4.845 4.470 -0.000 0.000 0.302 114 S C -0.373 174.005 174.600 -0.370 0.000 1.120 114 S CA -0.457 57.627 58.200 -0.193 0.000 1.067 114 S CB -0.077 63.067 63.200 -0.093 0.000 1.057 114 S HN 0.207 nan 8.310 nan 0.000 0.518 115 V N 2.466 122.240 119.914 -0.234 0.000 2.513 115 V HA 0.730 4.850 4.120 -0.000 0.000 0.299 115 V C 1.011 177.021 176.094 -0.141 0.000 1.035 115 V CA -0.634 61.521 62.300 -0.241 0.000 0.889 115 V CB 1.778 33.504 31.823 -0.163 0.000 0.988 115 V HN 0.872 nan 8.190 nan 0.000 0.440 116 G N 2.374 111.118 108.800 -0.092 0.000 3.443 116 G HA2 0.396 4.356 3.960 -0.000 0.000 0.252 116 G HA3 0.396 4.356 3.960 -0.000 0.000 0.252 116 G C -0.377 174.218 174.900 -0.508 0.000 1.015 116 G CA 0.163 45.127 45.100 -0.228 0.000 0.891 116 G HN 0.430 nan 8.290 nan 0.000 0.510 117 F N -0.839 119.034 119.950 -0.128 0.000 2.588 117 F HA 0.430 4.957 4.527 -0.000 0.000 0.310 117 F C -1.921 173.830 175.800 -0.081 0.000 1.082 117 F CA -2.120 55.822 58.000 -0.097 0.000 0.929 117 F CB 2.652 41.596 39.000 -0.094 0.000 1.254 117 F HN -0.215 nan 8.300 nan 0.000 0.455 118 P HA -0.107 nan 4.420 nan 0.000 0.217 118 P C 0.926 178.266 177.300 0.066 0.000 1.150 118 P CA 1.399 64.528 63.100 0.048 0.000 0.832 118 P CB 0.306 32.026 31.700 0.032 0.000 0.787 119 E N 0.153 120.408 120.200 0.091 0.000 2.097 119 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 119 E C 1.896 178.540 176.600 0.074 0.000 1.000 119 E CA 1.353 57.790 56.400 0.063 0.000 0.804 119 E CB -0.817 28.902 29.700 0.033 0.000 0.740 119 E HN 0.439 nan 8.360 nan 0.000 0.454 120 E N -0.017 120.225 120.200 0.069 0.000 2.077 120 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 120 E C 2.089 178.802 176.600 0.187 0.000 0.989 120 E CA 1.233 57.673 56.400 0.067 0.000 0.800 120 E CB -0.070 29.547 29.700 -0.138 0.000 0.746 120 E HN 0.069 nan 8.360 nan 0.000 0.452 121 V N 1.979 121.959 119.914 0.110 0.000 2.407 121 V HA -0.256 3.863 4.120 -0.000 0.000 0.248 121 V C 1.649 177.802 176.094 0.097 0.000 1.055 121 V CA 1.836 64.195 62.300 0.099 0.000 1.049 121 V CB -0.469 31.365 31.823 0.018 0.000 0.662 121 V HN 0.222 nan 8.190 nan 0.000 0.455 122 D N 0.066 120.517 120.400 0.085 0.000 2.106 122 D HA -0.195 4.445 4.640 -0.000 0.000 0.191 122 D C 2.240 178.601 176.300 0.102 0.000 0.997 122 D CA 1.620 55.665 54.000 0.074 0.000 0.834 122 D CB -0.162 40.673 40.800 0.059 0.000 0.956 122 D HN 0.562 nan 8.370 nan 0.000 0.448 123 E N 0.310 120.597 120.200 0.144 0.000 2.106 123 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 123 E C 2.292 178.961 176.600 0.115 0.000 0.984 123 E CA 0.096 56.582 56.400 0.142 0.000 0.806 123 E CB -0.173 29.644 29.700 0.194 0.000 0.750 123 E HN 0.249 nan 8.360 nan 0.000 0.458 124 L N 0.572 121.913 121.223 0.196 0.000 2.189 124 L HA -0.219 4.121 4.340 -0.000 0.000 0.214 124 L C 1.806 178.798 176.870 0.204 0.000 1.097 124 L CA 1.381 56.294 54.840 0.122 0.000 0.764 124 L CB -0.025 42.188 42.059 0.257 0.000 0.900 124 L HN 0.016 nan 8.230 nan 0.000 0.436 125 S N -0.386 115.425 115.700 0.185 0.000 2.456 125 S HA 0.050 4.520 4.470 -0.000 0.000 0.224 125 S C 2.012 176.738 174.600 0.210 0.000 1.035 125 S CA 0.903 59.261 58.200 0.263 0.000 0.940 125 S CB 0.136 63.407 63.200 0.118 0.000 0.799 125 S HN 0.605 nan 8.310 nan 0.000 0.508 126 K N 1.015 121.484 120.400 0.115 0.000 2.611 126 K HA 0.266 4.586 4.320 -0.000 0.000 0.193 126 K C 1.349 177.967 176.600 0.029 0.000 1.026 126 K CA 0.625 56.952 56.287 0.066 0.000 1.063 126 K CB -0.918 31.610 32.500 0.046 0.000 0.839 126 K HN 0.447 nan 8.250 nan 0.000 0.505 127 M N -1.365 118.256 119.600 0.036 0.000 2.925 127 M HA 0.267 4.747 4.480 -0.000 0.000 0.249 127 M C 1.125 177.358 176.300 -0.111 0.000 1.439 127 M CA 0.800 56.072 55.300 -0.046 0.000 1.217 127 M CB 0.765 33.310 32.600 -0.093 0.000 1.245 127 M HN 0.499 nan 8.290 nan 0.000 0.552 128 G N 1.794 110.522 108.800 -0.119 0.000 2.758 128 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 128 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 128 G C -2.901 171.439 174.900 -0.934 0.000 1.389 128 G CA -1.277 43.480 45.100 -0.572 0.000 0.845 128 G HN 0.100 nan 8.290 nan 0.000 0.572 133 D N 2.177 122.641 120.400 0.106 0.000 2.422 133 D HA 0.169 4.809 4.640 -0.000 0.000 0.218 133 D C 0.080 176.512 176.300 0.220 0.000 1.047 133 D CA 1.097 55.224 54.000 0.211 0.000 0.885 133 D CB 1.354 42.260 40.800 0.176 0.000 1.035 133 D HN 0.667 nan 8.370 nan 0.000 0.502 134 Y N 0.233 120.552 120.300 0.031 0.000 2.705 134 Y HA 0.573 5.123 4.550 -0.000 0.000 0.332 134 Y C -1.781 174.142 175.900 0.039 0.000 1.221 134 Y CA -1.717 56.338 58.100 -0.076 0.000 1.059 134 Y CB 0.864 39.135 38.460 -0.314 0.000 1.298 134 Y HN -0.187 nan 8.280 nan 0.000 0.459 135 I N -0.186 120.424 120.570 0.066 0.000 2.656 135 I HA 0.870 5.040 4.170 -0.000 0.000 0.292 135 I C -0.347 175.897 176.117 0.211 0.000 1.144 135 I CA -1.175 60.155 61.300 0.050 0.000 1.038 135 I CB 2.399 40.422 38.000 0.039 0.000 1.244 135 I HN 1.023 nan 8.210 nan 0.000 0.420 136 G N 4.600 113.550 108.800 0.250 0.000 2.355 136 G HA2 0.514 4.474 3.960 -0.000 0.000 0.276 136 G HA3 0.514 4.474 3.960 -0.000 0.000 0.276 136 G C -0.474 174.452 174.900 0.044 0.000 1.198 136 G CA -0.504 44.702 45.100 0.176 0.000 0.876 136 G HN 0.519 nan 8.290 nan 0.000 0.478 137 V N 3.738 123.649 119.914 -0.005 0.000 2.368 137 V HA 0.553 4.673 4.120 -0.000 0.000 0.266 137 V C 1.349 177.381 176.094 -0.103 0.000 1.045 137 V CA 0.704 62.965 62.300 -0.066 0.000 0.899 137 V CB 0.063 31.839 31.823 -0.078 0.000 1.006 137 V HN 1.413 nan 8.190 nan 0.000 0.470 138 G N 5.684 114.406 108.800 -0.130 0.000 2.595 138 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.382 138 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.382 138 G C 0.121 174.942 174.900 -0.131 0.000 1.327 138 G CA 0.157 45.158 45.100 -0.165 0.000 0.916 138 G HN 0.785 nan 8.290 nan 0.000 0.547 139 T N 1.292 115.761 114.554 -0.142 0.000 2.853 139 T HA 0.440 4.790 4.350 -0.000 0.000 0.317 139 T C 1.447 176.033 174.700 -0.191 0.000 1.059 139 T CA -0.580 61.452 62.100 -0.113 0.000 0.954 139 T CB 1.329 70.160 68.868 -0.061 0.000 0.994 139 T HN 0.470 nan 8.240 nan 0.000 0.479 140 L N 2.212 123.284 121.223 -0.251 0.000 2.046 140 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 140 L C 0.250 176.630 176.870 -0.816 0.000 1.077 140 L CA 1.833 56.336 54.840 -0.561 0.000 0.747 140 L CB -0.665 41.044 42.059 -0.583 0.000 0.896 140 L HN 0.531 nan 8.230 nan 0.000 0.432 141 F N -2.431 117.500 119.950 -0.031 0.000 2.764 141 F HA 0.528 5.055 4.527 -0.000 0.000 0.347 141 F C -2.189 173.620 175.800 0.015 0.000 1.151 141 F CA -2.485 55.516 58.000 0.001 0.000 1.021 141 F CB 0.037 39.050 39.000 0.022 0.000 1.438 141 F HN -0.367 nan 8.300 nan 0.000 0.516 142 P HA 0.348 nan 4.420 nan 0.000 0.290 142 P C -1.028 176.356 177.300 0.140 0.000 1.276 142 P CA -0.364 62.830 63.100 0.157 0.000 0.808 142 P CB 1.628 33.416 31.700 0.146 0.000 0.966 143 T N 2.513 117.126 114.554 0.099 0.000 3.105 143 T HA 0.379 4.729 4.350 -0.000 0.000 0.321 143 T C -0.158 174.578 174.700 0.059 0.000 1.135 143 T CA -0.651 61.503 62.100 0.089 0.000 1.053 143 T CB 0.333 69.257 68.868 0.094 0.000 1.133 143 T HN 0.081 nan 8.240 nan 0.000 0.463 144 L N 3.413 124.667 121.223 0.052 0.000 2.688 144 L HA 0.467 4.807 4.340 -0.000 0.000 0.234 144 L C 1.482 178.370 176.870 0.030 0.000 1.192 144 L CA 0.084 54.946 54.840 0.035 0.000 0.984 144 L CB -1.753 40.322 42.059 0.027 0.000 1.232 144 L HN 0.582 nan 8.230 nan 0.000 0.465 145 T N -1.135 113.440 114.554 0.034 0.000 3.044 145 T HA 0.035 4.385 4.350 -0.000 0.000 0.255 145 T C 0.893 175.603 174.700 0.016 0.000 1.073 145 T CA 0.522 62.637 62.100 0.025 0.000 1.125 145 T CB 0.149 69.032 68.868 0.025 0.000 0.908 145 T HN 0.213 nan 8.240 nan 0.000 0.480 146 K N 2.803 123.214 120.400 0.017 0.000 2.263 146 K HA 0.235 4.554 4.320 -0.000 0.000 0.282 146 K C -0.544 176.065 176.600 0.014 0.000 1.089 146 K CA -0.193 56.101 56.287 0.013 0.000 0.907 146 K CB 0.308 32.815 32.500 0.012 0.000 1.148 146 K HN -0.066 nan 8.250 nan 0.000 0.470 147 K N 2.963 123.370 120.400 0.011 0.000 2.383 147 K HA 0.133 4.453 4.320 -0.000 0.000 0.286 147 K C -0.352 176.255 176.600 0.011 0.000 1.051 147 K CA 0.975 57.268 56.287 0.011 0.000 0.974 147 K CB -0.151 32.354 32.500 0.008 0.000 0.968 147 K HN 0.948 nan 8.250 nan 0.000 0.475 148 N N 2.863 121.569 118.700 0.011 0.000 2.610 148 N HA -0.105 4.635 4.740 -0.000 0.000 0.271 148 N C -2.521 172.995 175.510 0.011 0.000 1.146 148 N CA 0.253 53.309 53.050 0.010 0.000 0.711 148 N CB -1.781 36.711 38.487 0.009 0.000 0.883 148 N HN 0.395 nan 8.380 nan 0.000 0.548 149 P HA 0.675 nan 4.420 nan 0.000 0.300 149 P C 0.482 177.790 177.300 0.013 0.000 1.326 149 P CA 0.209 63.317 63.100 0.013 0.000 0.844 149 P CB 1.495 33.204 31.700 0.016 0.000 0.992 150 K N 2.144 122.550 120.400 0.011 0.000 2.404 150 K HA 0.117 4.437 4.320 -0.000 0.000 0.194 150 K C 0.886 177.501 176.600 0.024 0.000 1.023 150 K CA 0.680 56.971 56.287 0.008 0.000 1.094 150 K CB -0.184 32.312 32.500 -0.007 0.000 0.841 150 K HN 0.439 nan 8.250 nan 0.000 0.523 151 K N -1.406 119.019 120.400 0.042 0.000 2.359 151 K HA 0.841 5.160 4.320 -0.000 0.000 0.261 151 K C -0.850 175.783 176.600 0.055 0.000 1.050 151 K CA -0.372 55.964 56.287 0.082 0.000 1.053 151 K CB 1.966 34.516 32.500 0.083 0.000 1.492 151 K HN 0.272 nan 8.250 nan 0.000 0.640 152 A N 0.881 123.725 122.820 0.040 0.000 2.589 152 A HA 0.462 4.782 4.320 -0.000 0.000 0.296 152 A C -2.819 174.745 177.584 -0.034 0.000 1.062 152 A CA -1.337 50.707 52.037 0.012 0.000 0.686 152 A CB 1.065 20.079 19.000 0.024 0.000 1.282 152 A HN 0.320 nan 8.150 nan 0.000 0.404 153 P HA 0.017 nan 4.420 nan 0.000 0.255 153 P C 0.605 177.830 177.300 -0.124 0.000 1.173 153 P CA 0.516 63.577 63.100 -0.064 0.000 0.780 153 P CB 0.236 31.941 31.700 0.009 0.000 0.758 154 M N 2.768 122.245 119.600 -0.206 0.000 2.516 154 M HA 0.163 4.643 4.480 -0.000 0.000 0.259 154 M C 0.753 176.897 176.300 -0.259 0.000 1.146 154 M CA 1.214 56.370 55.300 -0.240 0.000 1.122 154 M CB 0.045 32.462 32.600 -0.304 0.000 1.341 154 M HN 0.549 nan 8.290 nan 0.000 0.478 155 G N 0.093 108.680 108.800 -0.355 0.000 2.757 155 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.638 155 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.638 155 G C 0.176 174.839 174.900 -0.394 0.000 1.344 155 G CA -0.041 44.821 45.100 -0.398 0.000 0.855 155 G HN 0.401 nan 8.290 nan 0.000 0.537 156 T N -1.588 112.780 114.554 -0.310 0.000 2.896 156 T HA 0.300 4.650 4.350 -0.000 0.000 0.263 156 T C 2.735 177.331 174.700 -0.174 0.000 1.050 156 T CA 2.317 64.280 62.100 -0.228 0.000 1.140 156 T CB -0.422 68.355 68.868 -0.151 0.000 0.877 156 T HN 1.997 nan 8.240 nan 0.000 0.457 157 A N 2.162 124.910 122.820 -0.120 0.000 1.883 157 A HA 0.149 4.468 4.320 -0.000 0.000 0.217 157 A C 2.730 180.234 177.584 -0.132 0.000 1.186 157 A CA 1.831 53.808 52.037 -0.100 0.000 0.624 157 A CB -1.677 17.334 19.000 0.018 0.000 0.822 157 A HN 0.587 nan 8.150 nan 0.000 0.444 158 G N -0.842 107.861 108.800 -0.161 0.000 2.432 158 G HA2 0.019 3.979 3.960 -0.000 0.000 0.219 158 G HA3 0.019 3.979 3.960 -0.000 0.000 0.219 158 G C 1.619 176.390 174.900 -0.215 0.000 1.135 158 G CA 1.384 46.361 45.100 -0.203 0.000 0.767 158 G HN 0.844 nan 8.290 nan 0.000 0.550 159 A N 0.315 123.010 122.820 -0.208 0.000 2.016 159 A HA 0.246 4.566 4.320 -0.000 0.000 0.217 159 A C 2.326 179.823 177.584 -0.144 0.000 1.162 159 A CA 0.663 52.590 52.037 -0.184 0.000 0.662 159 A CB -0.185 18.703 19.000 -0.187 0.000 0.812 159 A HN 0.363 nan 8.150 nan 0.000 0.450 160 I N -1.076 119.409 120.570 -0.140 0.000 2.142 160 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 160 I C 2.623 178.679 176.117 -0.102 0.000 1.078 160 I CA 1.444 62.675 61.300 -0.115 0.000 1.343 160 I CB -0.275 37.648 38.000 -0.128 0.000 1.046 160 I HN 0.233 nan 8.210 nan 0.000 0.405 161 R N 0.202 120.637 120.500 -0.109 0.000 2.174 161 R HA -0.192 4.148 4.340 -0.000 0.000 0.253 161 R C 2.106 178.355 176.300 -0.084 0.000 1.165 161 R CA 1.470 57.516 56.100 -0.091 0.000 0.984 161 R CB -0.346 29.897 30.300 -0.095 0.000 0.873 161 R HN 0.225 nan 8.270 nan 0.000 0.456 162 V N -0.011 119.841 119.914 -0.103 0.000 2.273 162 V HA -0.163 3.957 4.120 -0.000 0.000 0.242 162 V C 2.124 178.171 176.094 -0.079 0.000 1.035 162 V CA 1.538 63.784 62.300 -0.091 0.000 1.013 162 V CB -0.321 31.435 31.823 -0.112 0.000 0.652 162 V HN 0.288 nan 8.190 nan 0.000 0.452 163 L N 0.011 121.186 121.223 -0.082 0.000 2.089 163 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 163 L C 2.325 179.156 176.870 -0.065 0.000 1.079 163 L CA 1.810 56.608 54.840 -0.071 0.000 0.758 163 L CB -0.716 41.307 42.059 -0.061 0.000 0.891 163 L HN 0.378 nan 8.230 nan 0.000 0.433 164 D N -0.327 120.036 120.400 -0.062 0.000 2.178 164 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 164 D C 2.156 178.423 176.300 -0.054 0.000 0.974 164 D CA 1.335 55.302 54.000 -0.056 0.000 0.841 164 D CB 0.149 40.916 40.800 -0.055 0.000 0.953 164 D HN 0.332 nan 8.370 nan 0.000 0.478 165 A N 0.226 123.014 122.820 -0.054 0.000 2.014 165 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 165 A C 2.183 179.728 177.584 -0.065 0.000 1.163 165 A CA 0.363 52.372 52.037 -0.046 0.000 0.652 165 A CB -0.475 18.505 19.000 -0.032 0.000 0.808 165 A HN 0.228 nan 8.150 nan 0.000 0.449 166 L N -0.540 120.631 121.223 -0.087 0.000 2.622 166 L HA -0.062 4.278 4.340 -0.000 0.000 0.233 166 L C 1.915 178.716 176.870 -0.116 0.000 1.156 166 L CA 0.512 55.273 54.840 -0.132 0.000 0.866 166 L CB -0.171 41.799 42.059 -0.148 0.000 0.980 166 L HN 0.380 nan 8.230 nan 0.000 0.448 167 E N -0.569 119.585 120.200 -0.076 0.000 2.288 167 E HA 0.027 4.377 4.350 -0.000 0.000 0.200 167 E C 2.026 178.601 176.600 -0.042 0.000 0.880 167 E CA 0.055 56.421 56.400 -0.056 0.000 0.971 167 E CB 0.061 29.732 29.700 -0.049 0.000 0.954 167 E HN 0.266 nan 8.360 nan 0.000 0.489 168 R N 1.138 121.615 120.500 -0.040 0.000 2.119 168 R HA -0.139 4.201 4.340 -0.000 0.000 0.246 168 R C 1.301 177.589 176.300 -0.019 0.000 1.146 168 R CA 1.723 57.807 56.100 -0.026 0.000 0.962 168 R CB -0.086 30.200 30.300 -0.024 0.000 0.863 168 R HN 0.034 nan 8.270 nan 0.000 0.442 169 N N 0.224 118.903 118.700 -0.034 0.000 2.336 169 N HA -0.049 4.691 4.740 -0.000 0.000 0.189 169 N C -0.486 175.008 175.510 -0.026 0.000 1.113 169 N CA 0.035 53.069 53.050 -0.027 0.000 0.858 169 N CB -0.015 38.443 38.487 -0.048 0.000 0.970 169 N HN 0.101 nan 8.380 nan 0.000 0.471 170 N N 0.868 119.551 118.700 -0.028 0.000 2.724 170 N HA -0.262 4.478 4.740 -0.000 0.000 0.293 170 N C -0.605 174.867 175.510 -0.063 0.000 1.090 170 N CA 0.586 53.636 53.050 -0.000 0.000 0.793 170 N CB -0.646 37.886 38.487 0.077 0.000 0.958 170 N HN 0.297 nan 8.380 nan 0.000 0.575 171 A N 3.818 126.445 122.820 -0.321 0.000 3.159 171 A HA 0.127 4.447 4.320 -0.000 0.000 0.301 171 A C 1.532 178.622 177.584 -0.824 0.000 1.271 171 A CA 0.103 51.572 52.037 -0.948 0.000 0.998 171 A CB -0.525 17.837 19.000 -1.064 0.000 1.101 171 A HN 0.775 nan 8.150 nan 0.000 0.610 172 H N -1.099 117.825 119.070 -0.242 0.000 2.483 172 H HA -0.288 4.268 4.556 -0.000 0.000 0.292 172 H C 1.342 176.660 175.328 -0.017 0.000 1.128 172 H CA 2.119 58.124 56.048 -0.071 0.000 1.197 172 H CB -0.600 29.200 29.762 0.062 0.000 1.353 172 H HN 0.913 nan 8.280 nan 0.000 0.514 173 W N 0.900 121.904 121.300 -0.493 0.000 3.256 173 W HA 0.362 5.022 4.660 -0.000 0.000 0.269 173 W C -0.020 176.444 176.519 -0.093 0.000 1.310 173 W CA -0.957 56.222 57.345 -0.276 0.000 1.673 173 W CB -0.669 28.538 29.460 -0.422 0.000 1.115 173 W HN 0.181 nan 8.180 nan 0.000 0.686 174 C N 5.054 124.130 119.300 -0.373 0.000 2.293 174 C HA 0.537 4.997 4.460 -0.000 0.000 0.323 174 C C 0.624 175.536 174.990 -0.130 0.000 1.240 174 C CA -1.149 57.721 59.018 -0.247 0.000 1.497 174 C CB -0.179 27.226 27.740 -0.558 0.000 2.171 174 C HN 0.192 nan 8.230 nan 0.000 0.465 175 R N 2.929 123.404 120.500 -0.042 0.000 2.574 175 R HA 0.650 4.990 4.340 -0.000 0.000 0.266 175 R C 0.259 176.476 176.300 -0.139 0.000 1.157 175 R CA -0.057 55.973 56.100 -0.118 0.000 1.187 175 R CB 0.573 30.726 30.300 -0.245 0.000 1.179 175 R HN 0.858 nan 8.270 nan 0.000 0.600 176 T N -2.933 111.517 114.554 -0.172 0.000 2.916 176 T HA 0.594 4.944 4.350 -0.000 0.000 0.305 176 T C -0.347 174.297 174.700 -0.093 0.000 1.119 176 T CA -0.895 61.152 62.100 -0.089 0.000 1.008 176 T CB 1.533 70.367 68.868 -0.058 0.000 1.129 176 T HN 0.423 nan 8.240 nan 0.000 0.480 177 V N -1.202 118.708 119.914 -0.006 0.000 3.007 177 V HA 1.013 5.133 4.120 -0.000 0.000 0.311 177 V C 0.246 176.353 176.094 0.022 0.000 1.120 177 V CA -0.888 61.429 62.300 0.029 0.000 0.980 177 V CB 1.605 33.498 31.823 0.117 0.000 1.033 177 V HN 1.384 nan 8.190 nan 0.000 0.429 178 G N 1.555 110.359 108.800 0.007 0.000 2.356 178 G HA2 0.745 4.705 3.960 -0.000 0.000 0.322 178 G HA3 0.745 4.705 3.960 -0.000 0.000 0.322 178 G C -1.127 173.754 174.900 -0.032 0.000 1.125 178 G CA -0.642 44.443 45.100 -0.025 0.000 0.885 178 G HN 1.093 nan 8.290 nan 0.000 0.467 179 I N 0.475 121.013 120.570 -0.052 0.000 2.752 179 I HA 0.653 4.823 4.170 -0.000 0.000 0.295 179 I C -0.048 176.037 176.117 -0.052 0.000 1.219 179 I CA -0.370 60.891 61.300 -0.065 0.000 1.030 179 I CB 2.213 40.160 38.000 -0.089 0.000 1.259 179 I HN 1.143 nan 8.210 nan 0.000 0.423 180 G N 4.374 113.153 108.800 -0.035 0.000 2.602 180 G HA2 0.374 4.334 3.960 -0.000 0.000 0.291 180 G HA3 0.374 4.334 3.960 -0.000 0.000 0.291 180 G C 0.381 175.334 174.900 0.088 0.000 0.988 180 G CA -0.334 44.768 45.100 0.003 0.000 1.295 180 G HN 1.809 nan 8.290 nan 0.000 0.630 181 G N -0.738 108.086 108.800 0.039 0.000 2.130 181 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 181 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 181 G C 0.289 175.186 174.900 -0.004 0.000 0.999 181 G CA 0.129 45.280 45.100 0.085 0.000 0.686 181 G HN 1.449 nan 8.290 nan 0.000 0.515 182 L N 1.650 122.789 121.223 -0.140 0.000 2.331 182 L HA 0.603 4.943 4.340 -0.000 0.000 0.278 182 L C 0.732 177.311 176.870 -0.486 0.000 1.106 182 L CA 0.035 54.780 54.840 -0.159 0.000 0.824 182 L CB 0.085 42.111 42.059 -0.054 0.000 1.142 182 L HN 0.268 nan 8.230 nan 0.000 0.443 183 H N 3.383 122.412 119.070 -0.067 0.000 2.931 183 H HA 0.316 4.872 4.556 -0.000 0.000 0.331 183 H C -1.882 173.401 175.328 -0.075 0.000 1.273 183 H CA -1.525 54.485 56.048 -0.062 0.000 1.171 183 H CB 1.512 31.231 29.762 -0.071 0.000 1.898 183 H HN 0.176 nan 8.280 nan 0.000 0.562 184 P HA -0.068 nan 4.420 nan 0.000 0.239 184 P C 0.547 177.837 177.300 -0.017 0.000 1.184 184 P CA 1.186 64.293 63.100 0.011 0.000 0.760 184 P CB -0.101 31.610 31.700 0.019 0.000 0.884 185 D N -1.363 119.025 120.400 -0.021 0.000 2.339 185 D HA -0.063 4.577 4.640 -0.000 0.000 0.217 185 D C 1.075 177.313 176.300 -0.103 0.000 1.050 185 D CA 0.301 54.269 54.000 -0.053 0.000 0.856 185 D CB -0.476 40.286 40.800 -0.064 0.000 0.922 185 D HN 0.109 nan 8.370 nan 0.000 0.518 186 N N -0.490 118.130 118.700 -0.135 0.000 1.952 186 N HA 0.033 4.773 4.740 -0.000 0.000 0.231 186 N C 1.130 176.548 175.510 -0.152 0.000 1.378 186 N CA -0.210 52.729 53.050 -0.185 0.000 0.828 186 N CB -0.719 37.538 38.487 -0.383 0.000 1.097 186 N HN 0.137 nan 8.380 nan 0.000 0.476 187 I N 1.560 122.055 120.570 -0.124 0.000 2.181 187 I HA -0.321 3.849 4.170 -0.000 0.000 0.247 187 I C 2.153 178.127 176.117 -0.237 0.000 1.081 187 I CA 1.787 63.018 61.300 -0.115 0.000 1.340 187 I CB -0.112 37.845 38.000 -0.073 0.000 1.036 187 I HN 0.280 nan 8.210 nan 0.000 0.417 188 E N -0.138 119.830 120.200 -0.388 0.000 2.051 188 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 188 E C 2.309 178.350 176.600 -0.930 0.000 0.991 188 E CA 1.063 56.985 56.400 -0.796 0.000 0.799 188 E CB -0.137 28.961 29.700 -1.004 0.000 0.748 188 E HN 0.369 nan 8.360 nan 0.000 0.449 189 R N 0.604 120.723 120.500 -0.636 0.000 2.115 189 R HA -0.087 4.253 4.340 -0.000 0.000 0.226 189 R C 2.039 178.263 176.300 -0.126 0.000 1.100 189 R CA 0.774 56.712 56.100 -0.270 0.000 0.980 189 R CB 0.111 30.364 30.300 -0.078 0.000 0.875 189 R HN 0.026 nan 8.270 nan 0.000 0.445 190 V N 0.955 120.803 119.914 -0.110 0.000 2.379 190 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 190 V C 2.131 178.172 176.094 -0.088 0.000 1.044 190 V CA 0.997 63.275 62.300 -0.037 0.000 1.036 190 V CB -0.348 31.503 31.823 0.047 0.000 0.664 190 V HN 0.239 nan 8.190 nan 0.000 0.453 191 L N -0.823 120.309 121.223 -0.151 0.000 2.093 191 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 191 L C 2.245 179.082 176.870 -0.054 0.000 1.085 191 L CA 1.905 56.691 54.840 -0.091 0.000 0.755 191 L CB -1.139 40.861 42.059 -0.098 0.000 0.904 191 L HN 0.501 nan 8.230 nan 0.000 0.435 192 Y N 0.188 120.286 120.300 -0.336 0.000 2.395 192 Y HA -0.195 4.355 4.550 -0.000 0.000 0.293 192 Y C 2.184 178.012 175.900 -0.119 0.000 1.123 192 Y CA 1.126 59.112 58.100 -0.191 0.000 1.227 192 Y CB 0.345 38.695 38.460 -0.183 0.000 1.012 192 Y HN 0.428 nan 8.280 nan 0.000 0.552 193 Q N -2.157 117.489 119.800 -0.256 0.000 2.280 193 Q HA 0.174 4.513 4.340 -0.000 0.000 0.228 193 Q C 0.565 176.426 176.000 -0.232 0.000 0.857 193 Q CA 0.057 55.646 55.803 -0.357 0.000 0.939 193 Q CB 0.030 28.572 28.738 -0.328 0.000 1.114 193 Q HN 0.236 nan 8.270 nan 0.000 0.514 194 C N 2.858 122.070 119.300 -0.147 0.000 3.025 194 C HA 0.465 4.925 4.460 -0.000 0.000 0.547 194 C C 0.233 175.177 174.990 -0.075 0.000 1.058 194 C CA -0.672 58.280 59.018 -0.111 0.000 1.164 194 C CB -1.512 26.175 27.740 -0.087 0.000 1.405 194 C HN 0.355 nan 8.230 nan 0.000 0.610 195 V N 2.873 122.739 119.914 -0.079 0.000 2.789 195 V HA 0.724 4.843 4.120 -0.000 0.000 0.311 195 V C 0.158 176.277 176.094 0.042 0.000 1.073 195 V CA -0.273 62.021 62.300 -0.009 0.000 0.921 195 V CB 2.308 34.139 31.823 0.012 0.000 1.009 195 V HN 0.600 nan 8.190 nan 0.000 0.426 196 S N 4.319 120.043 115.700 0.040 0.000 2.573 196 S HA 0.135 4.605 4.470 -0.000 0.000 0.277 196 S C 1.186 175.827 174.600 0.068 0.000 1.346 196 S CA 0.411 58.626 58.200 0.025 0.000 1.034 196 S CB 1.099 64.293 63.200 -0.011 0.000 0.879 196 S HN 1.069 nan 8.310 nan 0.000 0.528 197 S N 2.267 117.959 115.700 -0.013 0.000 2.370 197 S HA -0.178 4.292 4.470 -0.000 0.000 0.226 197 S C 1.891 176.305 174.600 -0.311 0.000 1.033 197 S CA 1.632 59.748 58.200 -0.141 0.000 1.011 197 S CB -0.815 62.295 63.200 -0.150 0.000 0.852 197 S HN 0.997 nan 8.310 nan 0.000 0.457 198 N N 1.022 119.619 118.700 -0.172 0.000 2.520 198 N HA 0.078 4.817 4.740 -0.000 0.000 0.185 198 N C 1.155 176.594 175.510 -0.119 0.000 1.068 198 N CA 1.286 54.237 53.050 -0.164 0.000 0.911 198 N CB -0.685 37.743 38.487 -0.099 0.000 0.961 198 N HN 0.404 nan 8.380 nan 0.000 0.446 199 G N -1.110 107.666 108.800 -0.041 0.000 2.234 199 G HA2 -0.424 3.535 3.960 -0.000 0.000 0.260 199 G HA3 -0.424 3.535 3.960 -0.000 0.000 0.260 199 G C 1.245 176.176 174.900 0.052 0.000 0.987 199 G CA 1.033 46.177 45.100 0.075 0.000 0.625 199 G HN 0.836 nan 8.290 nan 0.000 0.532 200 K N -0.012 120.395 120.400 0.012 0.000 2.211 200 K HA 0.292 4.612 4.320 -0.000 0.000 0.203 200 K C 1.368 177.980 176.600 0.020 0.000 1.050 200 K CA 1.859 58.153 56.287 0.012 0.000 0.945 200 K CB -0.057 32.440 32.500 -0.004 0.000 0.732 200 K HN 0.926 nan 8.250 nan 0.000 0.451 201 R N 0.292 120.802 120.500 0.018 0.000 2.561 201 R HA 0.409 4.749 4.340 -0.000 0.000 0.297 201 R C -0.619 175.692 176.300 0.019 0.000 0.969 201 R CA 0.202 56.310 56.100 0.013 0.000 0.879 201 R CB 1.932 32.226 30.300 -0.010 0.000 1.178 201 R HN 0.386 nan 8.270 nan 0.000 0.445 202 S N 4.073 119.787 115.700 0.023 0.000 2.874 202 S HA 0.511 4.981 4.470 -0.000 0.000 0.318 202 S C -0.017 174.589 174.600 0.011 0.000 1.109 202 S CA -0.942 57.271 58.200 0.022 0.000 0.878 202 S CB 0.610 63.838 63.200 0.047 0.000 1.307 202 S HN 0.480 nan 8.310 nan 0.000 0.592 203 L N 1.289 122.521 121.223 0.015 0.000 2.467 203 L HA 0.232 4.572 4.340 -0.000 0.000 0.270 203 L C 0.709 177.596 176.870 0.027 0.000 1.205 203 L CA -0.050 54.796 54.840 0.009 0.000 0.828 203 L CB 0.224 42.291 42.059 0.013 0.000 1.101 203 L HN 0.759 nan 8.230 nan 0.000 0.479 204 D N 0.956 121.365 120.400 0.014 0.000 2.379 204 D HA 0.208 4.848 4.640 -0.000 0.000 0.208 204 D C 0.529 176.884 176.300 0.092 0.000 1.065 204 D CA 0.395 54.423 54.000 0.047 0.000 0.848 204 D CB 1.220 42.027 40.800 0.012 0.000 0.949 204 D HN 0.697 nan 8.370 nan 0.000 0.509 205 G N 0.539 109.383 108.800 0.074 0.000 2.384 205 G HA2 0.290 4.250 3.960 -0.000 0.000 0.300 205 G HA3 0.290 4.250 3.960 -0.000 0.000 0.300 205 G C -1.560 173.391 174.900 0.085 0.000 1.582 205 G CA -0.828 44.332 45.100 0.101 0.000 0.875 205 G HN -0.007 nan 8.290 nan 0.000 0.628 206 I N 0.351 120.969 120.570 0.080 0.000 2.385 206 I HA 0.482 4.652 4.170 -0.000 0.000 0.294 206 I C 0.127 176.279 176.117 0.057 0.000 0.988 206 I CA -0.523 60.807 61.300 0.049 0.000 1.265 206 I CB 1.660 39.679 38.000 0.032 0.000 1.388 206 I HN 0.600 nan 8.210 nan 0.000 0.480 207 C N 8.504 127.810 119.300 0.009 0.000 2.316 207 C HA 0.721 5.181 4.460 -0.000 0.000 0.324 207 C C -0.166 174.761 174.990 -0.105 0.000 1.226 207 C CA -0.424 58.566 59.018 -0.047 0.000 1.450 207 C CB 0.050 27.707 27.740 -0.138 0.000 2.123 207 C HN 0.636 nan 8.230 nan 0.000 0.454 208 V N 6.265 126.120 119.914 -0.098 0.000 3.093 208 V HA 0.875 4.995 4.120 -0.000 0.000 0.320 208 V C -0.153 175.875 176.094 -0.109 0.000 1.093 208 V CA -0.011 62.216 62.300 -0.121 0.000 1.016 208 V CB 1.789 33.541 31.823 -0.119 0.000 1.096 208 V HN 0.710 nan 8.190 nan 0.000 0.452 209 V N 1.499 121.357 119.914 -0.094 0.000 3.668 209 V HA 0.106 4.226 4.120 -0.000 0.000 0.199 209 V C 2.305 178.387 176.094 -0.020 0.000 1.241 209 V CA 1.215 63.480 62.300 -0.057 0.000 1.308 209 V CB 0.304 32.097 31.823 -0.051 0.000 1.411 209 V HN 1.083 nan 8.190 nan 0.000 0.535 210 S N -0.042 115.661 115.700 0.006 0.000 2.515 210 S HA -0.168 4.302 4.470 -0.000 0.000 0.231 210 S C 1.365 176.021 174.600 0.094 0.000 0.987 210 S CA 1.697 59.931 58.200 0.058 0.000 0.936 210 S CB -0.327 62.932 63.200 0.098 0.000 0.766 210 S HN 0.575 nan 8.310 nan 0.000 0.528 211 D N 0.936 121.377 120.400 0.069 0.000 2.224 211 D HA 0.136 4.776 4.640 -0.000 0.000 0.205 211 D C 1.499 177.831 176.300 0.054 0.000 0.965 211 D CA 0.922 54.989 54.000 0.111 0.000 0.852 211 D CB -0.028 40.807 40.800 0.059 0.000 0.947 211 D HN 0.553 nan 8.370 nan 0.000 0.494 212 I N -0.487 120.096 120.570 0.022 0.000 3.132 212 I HA -0.052 4.118 4.170 -0.000 0.000 0.255 212 I C 1.929 178.054 176.117 0.014 0.000 1.118 212 I CA -0.143 61.164 61.300 0.012 0.000 1.463 212 I CB 0.152 38.150 38.000 -0.002 0.000 1.356 212 I HN -0.084 nan 8.210 nan 0.000 0.463 213 I N 1.748 122.325 120.570 0.011 0.000 2.248 213 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 213 I C 2.211 178.341 176.117 0.022 0.000 1.107 213 I CA 1.744 63.052 61.300 0.015 0.000 1.373 213 I CB -1.114 36.893 38.000 0.012 0.000 1.055 213 I HN 0.215 nan 8.210 nan 0.000 0.418 214 A N -0.202 122.634 122.820 0.027 0.000 2.415 214 A HA 0.163 4.483 4.320 -0.000 0.000 0.248 214 A C 1.063 178.661 177.584 0.024 0.000 1.299 214 A CA -0.031 52.022 52.037 0.027 0.000 0.899 214 A CB -0.179 18.840 19.000 0.031 0.000 0.997 214 A HN 0.275 nan 8.150 nan 0.000 0.506 215 S N -0.429 115.285 115.700 0.024 0.000 2.554 215 S HA 0.476 4.946 4.470 -0.000 0.000 0.278 215 S C 1.105 175.715 174.600 0.016 0.000 1.242 215 S CA -0.637 57.574 58.200 0.020 0.000 1.051 215 S CB 0.430 63.643 63.200 0.021 0.000 0.986 215 S HN 0.391 nan 8.310 nan 0.000 0.502 216 L N 2.344 123.574 121.223 0.012 0.000 2.275 216 L HA 0.084 4.424 4.340 -0.000 0.000 0.215 216 L C 0.747 177.624 176.870 0.013 0.000 1.119 216 L CA 0.851 55.698 54.840 0.012 0.000 0.790 216 L CB -0.100 41.964 42.059 0.008 0.000 0.919 216 L HN 0.588 nan 8.230 nan 0.000 0.443 217 D N -0.585 119.823 120.400 0.012 0.000 2.613 217 D HA 0.280 4.920 4.640 -0.000 0.000 0.312 217 D C 1.054 177.360 176.300 0.011 0.000 1.202 217 D CA 0.164 54.171 54.000 0.012 0.000 0.825 217 D CB 1.004 41.810 40.800 0.010 0.000 1.113 217 D HN 0.020 nan 8.370 nan 0.000 0.502 218 A N 1.590 124.416 122.820 0.011 0.000 1.940 218 A HA -0.228 4.092 4.320 -0.000 0.000 0.221 218 A C 2.240 179.825 177.584 0.001 0.000 1.190 218 A CA 2.417 54.458 52.037 0.005 0.000 0.647 218 A CB -0.557 18.444 19.000 0.001 0.000 0.821 218 A HN 0.514 nan 8.150 nan 0.000 0.457 219 A N -0.495 122.326 122.820 0.003 0.000 1.849 219 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 219 A C 2.160 179.746 177.584 0.003 0.000 1.202 219 A CA 2.425 54.463 52.037 0.001 0.000 0.629 219 A CB -0.702 18.302 19.000 0.006 0.000 0.834 219 A HN 0.589 nan 8.150 nan 0.000 0.447 220 K N -0.693 119.711 120.400 0.007 0.000 2.044 220 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 220 K C 2.378 178.984 176.600 0.009 0.000 1.049 220 K CA 1.735 58.027 56.287 0.008 0.000 0.927 220 K CB -0.287 32.218 32.500 0.008 0.000 0.713 220 K HN 0.412 nan 8.250 nan 0.000 0.443 221 S N -0.241 115.466 115.700 0.010 0.000 2.370 221 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 221 S C 1.793 176.400 174.600 0.011 0.000 1.033 221 S CA 1.823 60.032 58.200 0.014 0.000 1.011 221 S CB -0.251 62.960 63.200 0.019 0.000 0.852 221 S HN 0.465 nan 8.310 nan 0.000 0.457 222 T N 1.501 116.058 114.554 0.005 0.000 2.904 222 T HA 0.004 4.354 4.350 -0.000 0.000 0.267 222 T C 2.309 177.010 174.700 0.002 0.000 1.059 222 T CA 1.560 63.660 62.100 0.000 0.000 1.137 222 T CB -0.333 68.529 68.868 -0.010 0.000 0.879 222 T HN 0.570 nan 8.240 nan 0.000 0.467 223 K N 1.444 121.846 120.400 0.004 0.000 2.148 223 K HA 0.084 4.404 4.320 -0.000 0.000 0.204 223 K C 2.073 178.679 176.600 0.010 0.000 1.050 223 K CA 1.103 57.393 56.287 0.006 0.000 0.942 223 K CB -1.057 31.447 32.500 0.007 0.000 0.724 223 K HN 0.504 nan 8.250 nan 0.000 0.446 224 I N 0.648 121.225 120.570 0.012 0.000 2.133 224 I HA -0.239 3.930 4.170 -0.000 0.000 0.238 224 I C 2.564 178.692 176.117 0.017 0.000 1.074 224 I CA 1.249 62.558 61.300 0.015 0.000 1.342 224 I CB -0.499 37.510 38.000 0.016 0.000 1.053 224 I HN 0.184 nan 8.210 nan 0.000 0.404 225 L N 0.142 121.373 121.223 0.014 0.000 2.013 225 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 225 L C 2.858 179.741 176.870 0.020 0.000 1.073 225 L CA 1.275 56.123 54.840 0.014 0.000 0.753 225 L CB -0.879 41.184 42.059 0.006 0.000 0.890 225 L HN 0.280 nan 8.230 nan 0.000 0.432 226 R N 0.708 121.218 120.500 0.017 0.000 2.094 226 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 226 R C 2.283 178.598 176.300 0.024 0.000 1.137 226 R CA 1.732 57.843 56.100 0.018 0.000 0.943 226 R CB -1.453 28.853 30.300 0.010 0.000 0.850 226 R HN 0.447 nan 8.270 nan 0.000 0.433 227 G N 0.540 109.353 108.800 0.023 0.000 2.469 227 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 227 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 227 G C 1.333 176.260 174.900 0.046 0.000 1.150 227 G CA 0.532 45.648 45.100 0.028 0.000 0.763 227 G HN 0.219 nan 8.290 nan 0.000 0.561 228 L N 0.423 121.679 121.223 0.054 0.000 2.156 228 L HA 0.208 4.548 4.340 -0.000 0.000 0.208 228 L C 2.735 179.689 176.870 0.140 0.000 1.095 228 L CA 0.775 55.668 54.840 0.088 0.000 0.770 228 L CB -0.455 41.630 42.059 0.042 0.000 0.914 228 L HN 0.229 nan 8.230 nan 0.000 0.439 229 I N -0.062 120.564 120.570 0.093 0.000 2.500 229 I HA -0.193 3.977 4.170 -0.000 0.000 0.252 229 I C 1.115 177.277 176.117 0.075 0.000 1.142 229 I CA 1.118 62.481 61.300 0.105 0.000 1.451 229 I CB -0.191 37.847 38.000 0.064 0.000 1.093 229 I HN 0.360 nan 8.210 nan 0.000 0.430 230 D N -0.276 120.141 120.400 0.028 0.000 2.363 230 D HA 0.033 4.673 4.640 -0.000 0.000 0.214 230 D C 0.714 176.975 176.300 -0.065 0.000 1.093 230 D CA -0.175 53.814 54.000 -0.019 0.000 0.837 230 D CB 0.004 40.798 40.800 -0.009 0.000 0.948 230 D HN 0.041 nan 8.370 nan 0.000 0.507 231 K N 0.106 120.468 120.400 -0.064 0.000 2.126 231 K HA 0.316 4.636 4.320 -0.000 0.000 0.257 231 K C 0.709 177.060 176.600 -0.416 0.000 1.007 231 K CA 0.105 56.323 56.287 -0.114 0.000 0.928 231 K CB 0.940 33.449 32.500 0.014 0.000 1.013 231 K HN 0.072 nan 8.250 nan 0.000 0.473 232 T N -1.865 112.458 114.554 -0.385 0.000 2.958 232 T HA 0.168 4.518 4.350 -0.000 0.000 0.256 232 T C -0.173 174.331 174.700 -0.325 0.000 0.983 232 T CA -0.257 61.495 62.100 -0.580 0.000 0.924 232 T CB 0.263 68.960 68.868 -0.285 0.000 1.136 232 T HN 0.431 nan 8.240 nan 0.000 0.506 233 D N 1.755 122.113 120.400 -0.070 0.000 2.329 233 D HA 0.179 4.819 4.640 -0.000 0.000 0.232 233 D C -1.488 174.987 176.300 0.292 0.000 1.088 233 D CA -0.386 53.669 54.000 0.093 0.000 0.835 233 D CB 1.264 42.083 40.800 0.032 0.000 1.078 233 D HN 0.210 nan 8.370 nan 0.000 0.495 234 Y N 3.470 123.868 120.300 0.163 0.000 2.650 234 Y HA 0.164 4.714 4.550 -0.000 0.000 0.343 234 Y C -0.022 175.832 175.900 -0.075 0.000 1.078 234 Y CA -1.228 56.881 58.100 0.014 0.000 1.356 234 Y CB 0.038 38.302 38.460 -0.326 0.000 1.204 234 Y HN 0.052 nan 8.280 nan 0.000 0.508 235 K N 6.403 126.779 120.400 -0.040 0.000 2.167 235 K HA 0.103 4.423 4.320 -0.000 0.000 0.275 235 K C 0.105 176.472 176.600 -0.387 0.000 1.103 235 K CA -0.054 56.081 56.287 -0.254 0.000 0.963 235 K CB -1.081 31.345 32.500 -0.123 0.000 1.243 235 K HN 0.574 nan 8.250 nan 0.000 0.407 236 F N 1.901 121.455 119.950 -0.660 0.000 2.569 236 F HA 0.254 4.781 4.527 -0.000 0.000 0.295 236 F C 0.257 175.911 175.800 -0.245 0.000 1.115 236 F CA -0.672 56.941 58.000 -0.646 0.000 1.450 236 F CB 0.310 38.736 39.000 -0.957 0.000 1.107 236 F HN 0.071 nan 8.300 nan 0.000 0.563 237 V N 1.817 121.448 119.914 -0.472 0.000 2.668 237 V HA 0.337 4.456 4.120 -0.000 0.000 0.304 237 V C -0.733 175.225 176.094 -0.228 0.000 1.071 237 V CA -1.018 61.159 62.300 -0.204 0.000 0.894 237 V CB 1.433 33.207 31.823 -0.081 0.000 1.008 237 V HN 0.277 nan 8.190 nan 0.000 0.425 238 N N 6.526 125.157 118.700 -0.115 0.000 2.991 238 N HA 0.224 4.964 4.740 -0.000 0.000 0.324 238 N C -0.689 174.774 175.510 -0.077 0.000 1.208 238 N CA 0.611 53.604 53.050 -0.096 0.000 1.190 238 N CB -0.660 37.787 38.487 -0.066 0.000 1.443 238 N HN 0.648 nan 8.380 nan 0.000 0.542 239 I N -0.832 119.671 120.570 -0.112 0.000 2.841 239 I HA 0.346 4.516 4.170 -0.000 0.000 0.298 239 I C 0.609 176.662 176.117 -0.108 0.000 1.304 239 I CA -1.551 59.706 61.300 -0.072 0.000 1.019 239 I CB 2.116 40.091 38.000 -0.042 0.000 1.282 239 I HN 0.135 nan 8.210 nan 0.000 0.432 240 G N 4.135 112.898 108.800 -0.061 0.000 2.442 240 G HA2 0.542 4.502 3.960 -0.000 0.000 0.249 240 G HA3 0.542 4.502 3.960 -0.000 0.000 0.249 240 G C -0.830 174.030 174.900 -0.068 0.000 1.263 240 G CA -0.200 44.861 45.100 -0.065 0.000 0.846 240 G HN 0.402 nan 8.290 nan 0.000 0.555 241 L N 1.802 122.977 121.223 -0.080 0.000 2.401 241 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 241 L C 0.147 177.000 176.870 -0.028 0.000 1.004 241 L CA -0.260 54.550 54.840 -0.050 0.000 0.881 241 L CB 1.385 43.394 42.059 -0.084 0.000 1.219 241 L HN 0.381 nan 8.230 nan 0.000 0.441 247 L N 1.993 123.331 121.223 0.191 0.000 2.557 247 L HA -0.008 4.332 4.340 -0.000 0.000 0.308 247 L C 0.945 177.853 176.870 0.064 0.000 1.283 247 L CA 0.682 55.557 54.840 0.058 0.000 0.847 247 L CB 0.115 42.120 42.059 -0.090 0.000 1.088 247 L HN 0.449 nan 8.230 nan 0.000 0.537 248 T N 1.028 115.578 114.554 -0.006 0.000 2.737 248 T HA 0.191 4.541 4.350 -0.000 0.000 0.296 248 T C 0.459 175.044 174.700 -0.191 0.000 0.922 248 T CA -0.447 61.530 62.100 -0.205 0.000 1.079 248 T CB 0.580 69.316 68.868 -0.219 0.000 0.892 248 T HN 0.770 nan 8.240 nan 0.000 0.514 249 T N 1.704 116.128 114.554 -0.216 0.000 2.802 249 T HA 0.047 4.397 4.350 -0.000 0.000 0.305 249 T C 1.648 176.240 174.700 -0.179 0.000 1.053 249 T CA -0.205 61.803 62.100 -0.154 0.000 1.058 249 T CB 0.566 69.363 68.868 -0.117 0.000 0.988 249 T HN 0.442 nan 8.240 nan 0.000 0.539 250 T N 1.553 116.009 114.554 -0.163 0.000 2.857 250 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 250 T C 1.350 175.922 174.700 -0.213 0.000 1.048 250 T CA 1.809 63.780 62.100 -0.215 0.000 1.139 250 T CB -0.534 68.209 68.868 -0.209 0.000 0.874 250 T HN 0.798 nan 8.240 nan 0.000 0.455 251 D N 0.969 121.274 120.400 -0.158 0.000 2.269 251 D HA -0.030 4.610 4.640 -0.000 0.000 0.208 251 D C 2.102 178.330 176.300 -0.120 0.000 0.963 251 D CA 0.610 54.532 54.000 -0.129 0.000 0.864 251 D CB -0.005 40.739 40.800 -0.093 0.000 0.936 251 D HN 0.493 nan 8.370 nan 0.000 0.505 252 E N 0.691 120.805 120.200 -0.143 0.000 2.016 252 E HA -0.075 4.275 4.350 -0.000 0.000 0.190 252 E C 2.227 178.749 176.600 -0.130 0.000 0.985 252 E CA 0.443 56.758 56.400 -0.142 0.000 0.802 252 E CB -0.060 29.488 29.700 -0.253 0.000 0.762 252 E HN 0.268 nan 8.360 nan 0.000 0.448 253 I N 1.535 122.005 120.570 -0.168 0.000 2.181 253 I HA -0.393 3.777 4.170 -0.000 0.000 0.247 253 I C 2.789 178.831 176.117 -0.125 0.000 1.081 253 I CA 1.531 62.748 61.300 -0.139 0.000 1.340 253 I CB -0.513 37.360 38.000 -0.212 0.000 1.036 253 I HN 0.267 nan 8.210 nan 0.000 0.417 254 Q N 1.134 120.837 119.800 -0.162 0.000 1.891 254 Q HA -0.255 4.085 4.340 -0.000 0.000 0.214 254 Q C 2.393 178.355 176.000 -0.064 0.000 0.995 254 Q CA 3.111 58.837 55.803 -0.129 0.000 0.866 254 Q CB -0.140 28.515 28.738 -0.137 0.000 0.931 254 Q HN 0.555 nan 8.270 nan 0.000 0.422 255 S N -0.034 115.634 115.700 -0.054 0.000 2.423 255 S HA -0.211 4.259 4.470 -0.000 0.000 0.238 255 S C 1.915 176.508 174.600 -0.011 0.000 1.028 255 S CA 1.431 59.615 58.200 -0.027 0.000 1.000 255 S CB -0.764 62.424 63.200 -0.021 0.000 0.797 255 S HN 0.467 nan 8.310 nan 0.000 0.487 256 I N 1.451 122.016 120.570 -0.009 0.000 2.142 256 I HA -0.163 4.007 4.170 -0.000 0.000 0.240 256 I C 2.431 178.560 176.117 0.020 0.000 1.078 256 I CA 1.706 63.014 61.300 0.014 0.000 1.343 256 I CB -0.415 37.599 38.000 0.022 0.000 1.046 256 I HN 0.320 nan 8.210 nan 0.000 0.405 257 I N -0.003 120.583 120.570 0.027 0.000 2.454 257 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 257 I C 2.545 178.677 176.117 0.024 0.000 1.156 257 I CA 0.943 62.272 61.300 0.048 0.000 1.433 257 I CB -0.399 37.655 38.000 0.089 0.000 1.082 257 I HN 0.205 nan 8.210 nan 0.000 0.432 258 S N 1.017 116.719 115.700 0.005 0.000 2.338 258 S HA -0.135 4.335 4.470 -0.000 0.000 0.218 258 S C 1.776 176.368 174.600 -0.013 0.000 1.032 258 S CA 1.265 59.462 58.200 -0.005 0.000 0.999 258 S CB -0.332 62.861 63.200 -0.012 0.000 0.905 258 S HN 0.460 nan 8.310 nan 0.000 0.439 259 N N 1.014 119.704 118.700 -0.017 0.000 2.061 259 N HA -0.138 4.602 4.740 -0.000 0.000 0.193 259 N C 1.941 177.411 175.510 -0.067 0.000 1.030 259 N CA 1.740 54.766 53.050 -0.040 0.000 0.856 259 N CB -1.099 37.376 38.487 -0.022 0.000 1.023 259 N HN 0.412 nan 8.380 nan 0.000 0.424 260 T N 0.982 115.517 114.554 -0.032 0.000 2.833 260 T HA -0.009 4.341 4.350 -0.000 0.000 0.269 260 T C 2.057 176.742 174.700 -0.024 0.000 1.054 260 T CA 0.674 62.758 62.100 -0.028 0.000 1.135 260 T CB -0.097 68.779 68.868 0.013 0.000 0.869 260 T HN 0.107 nan 8.240 nan 0.000 0.466 261 L N 0.092 121.309 121.223 -0.009 0.000 2.131 261 L HA 0.142 4.482 4.340 -0.000 0.000 0.206 261 L C 2.663 179.524 176.870 -0.015 0.000 1.087 261 L CA 1.204 56.046 54.840 0.003 0.000 0.767 261 L CB -0.290 41.779 42.059 0.016 0.000 0.917 261 L HN 0.195 nan 8.230 nan 0.000 0.441 262 K N 0.067 120.445 120.400 -0.036 0.000 2.439 262 K HA -0.045 4.275 4.320 -0.000 0.000 0.197 262 K C 1.621 178.176 176.600 -0.076 0.000 1.041 262 K CA 0.934 57.196 56.287 -0.043 0.000 0.970 262 K CB 0.176 32.651 32.500 -0.041 0.000 0.773 262 K HN 0.265 nan 8.250 nan 0.000 0.479 263 A N 0.268 123.013 122.820 -0.126 0.000 2.167 263 A HA 0.241 4.561 4.320 -0.000 0.000 0.208 263 A C 1.031 178.556 177.584 -0.099 0.000 1.198 263 A CA 0.581 52.484 52.037 -0.223 0.000 0.863 263 A CB 0.014 18.683 19.000 -0.551 0.000 0.904 263 A HN 0.357 nan 8.150 nan 0.000 0.484 264 R N -0.863 119.612 120.500 -0.043 0.000 3.333 264 R HA -0.149 4.191 4.340 -0.000 0.000 0.256 264 R C -2.134 174.186 176.300 0.033 0.000 1.010 264 R CA 1.144 57.247 56.100 0.006 0.000 0.680 264 R CB -3.432 26.878 30.300 0.017 0.000 1.102 264 R HN 0.506 nan 8.270 nan 0.000 0.440 265 P HA 0.188 nan 4.420 nan 0.000 0.261 265 P C 0.214 177.569 177.300 0.092 0.000 1.173 265 P CA -0.185 62.967 63.100 0.086 0.000 0.760 265 P CB 0.643 32.388 31.700 0.075 0.000 0.783 266 L N 5.336 126.626 121.223 0.112 0.000 2.260 266 L HA 0.356 4.696 4.340 -0.000 0.000 0.289 266 L C -0.930 176.016 176.870 0.128 0.000 1.057 266 L CA -0.132 54.774 54.840 0.111 0.000 0.811 266 L CB 0.667 42.788 42.059 0.104 0.000 1.184 266 L HN 0.031 nan 8.230 nan 0.000 0.429 267 V N 5.468 125.460 119.914 0.130 0.000 2.334 267 V HA 0.325 4.444 4.120 -0.000 0.000 0.281 267 V C 0.012 176.201 176.094 0.158 0.000 1.016 267 V CA -0.467 61.894 62.300 0.101 0.000 0.832 267 V CB 1.049 32.927 31.823 0.092 0.000 0.999 267 V HN 0.863 nan 8.190 nan 0.000 0.439 268 Q N 3.788 123.631 119.800 0.071 0.000 2.337 268 Q HA 0.275 4.615 4.340 -0.000 0.000 0.255 268 Q C -0.908 175.094 176.000 0.003 0.000 0.997 268 Q CA -0.416 55.448 55.803 0.102 0.000 0.925 268 Q CB 0.390 29.193 28.738 0.109 0.000 1.212 268 Q HN 0.802 nan 8.270 nan 0.000 0.436 269 H N 4.269 123.321 119.070 -0.029 0.000 2.594 269 H HA 0.309 4.865 4.556 -0.000 0.000 0.304 269 H C -0.710 174.586 175.328 -0.054 0.000 1.068 269 H CA -0.383 55.633 56.048 -0.054 0.000 1.308 269 H CB 0.478 30.215 29.762 -0.042 0.000 1.409 269 H HN 0.557 nan 8.280 nan 0.000 0.460 270 I N 3.417 123.982 120.570 -0.009 0.000 2.347 270 I HA 0.250 4.420 4.170 -0.000 0.000 0.283 270 I C 0.415 176.490 176.117 -0.070 0.000 1.058 270 I CA -0.083 61.202 61.300 -0.025 0.000 1.202 270 I CB 0.601 38.580 38.000 -0.036 0.000 1.386 270 I HN 0.515 nan 8.210 nan 0.000 0.475 271 T N 3.376 117.896 114.554 -0.056 0.000 2.778 271 T HA 0.436 4.785 4.350 -0.000 0.000 0.293 271 T C -0.065 174.553 174.700 -0.137 0.000 1.144 271 T CA -0.687 61.329 62.100 -0.139 0.000 1.010 271 T CB 1.119 69.927 68.868 -0.100 0.000 1.325 271 T HN 0.569 nan 8.240 nan 0.000 0.515 272 N N 0.213 118.760 118.700 -0.255 0.000 2.267 272 N HA 0.372 5.112 4.740 -0.000 0.000 0.266 272 N C 1.516 177.018 175.510 -0.013 0.000 1.295 272 N CA 0.069 53.041 53.050 -0.131 0.000 0.914 272 N CB 0.131 38.534 38.487 -0.140 0.000 1.083 272 N HN 0.683 nan 8.380 nan 0.000 0.507 273 K N 0.004 120.432 120.400 0.045 0.000 2.242 273 K HA 0.071 4.391 4.320 -0.000 0.000 0.200 273 K C 2.053 178.723 176.600 0.117 0.000 1.050 273 K CA 1.217 57.542 56.287 0.064 0.000 0.981 273 K CB -1.242 31.284 32.500 0.043 0.000 0.795 273 K HN 0.424 nan 8.250 nan 0.000 0.477 274 V N 0.166 120.193 119.914 0.189 0.000 2.261 274 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 274 V C 2.232 178.469 176.094 0.239 0.000 1.047 274 V CA 1.832 64.248 62.300 0.194 0.000 1.015 274 V CB -1.521 30.413 31.823 0.184 0.000 0.642 274 V HN 0.750 nan 8.190 nan 0.000 0.446 275 H N -0.113 119.010 119.070 0.088 0.000 2.561 275 H HA -0.054 4.502 4.556 -0.000 0.000 0.278 275 H C 2.274 177.653 175.328 0.086 0.000 1.014 275 H CA 1.116 57.231 56.048 0.111 0.000 1.211 275 H CB 0.295 30.090 29.762 0.056 0.000 1.365 275 H HN 0.554 nan 8.280 nan 0.000 0.594 276 Q N 1.429 121.343 119.800 0.190 0.000 2.061 276 Q HA -0.115 4.225 4.340 -0.000 0.000 0.195 276 Q C 2.155 178.179 176.000 0.039 0.000 0.967 276 Q CA 1.101 56.949 55.803 0.075 0.000 0.829 276 Q CB 0.217 28.983 28.738 0.047 0.000 0.900 276 Q HN 0.237 nan 8.270 nan 0.000 0.450 277 N N -0.529 118.217 118.700 0.077 0.000 2.084 277 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 277 N C 1.464 177.059 175.510 0.143 0.000 1.030 277 N CA 1.276 54.367 53.050 0.067 0.000 0.849 277 N CB -0.314 38.206 38.487 0.054 0.000 1.012 277 N HN 0.247 nan 8.380 nan 0.000 0.423 278 F N 1.162 121.105 119.950 -0.011 0.000 2.046 278 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 278 F C 2.263 178.060 175.800 -0.006 0.000 1.123 278 F CA 1.727 59.725 58.000 -0.004 0.000 1.199 278 F CB -1.195 37.811 39.000 0.010 0.000 0.972 278 F HN 0.115 nan 8.300 nan 0.000 0.474 279 G N -0.414 108.384 108.800 -0.003 0.000 2.476 279 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 279 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 279 G C 1.830 176.621 174.900 -0.183 0.000 1.164 279 G CA 1.328 46.349 45.100 -0.132 0.000 0.768 279 G HN 0.632 nan 8.290 nan 0.000 0.560 280 A N 0.781 123.464 122.820 -0.229 0.000 2.015 280 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 280 A C 2.143 179.673 177.584 -0.091 0.000 1.163 280 A CA 1.761 53.658 52.037 -0.233 0.000 0.646 280 A CB -0.482 18.399 19.000 -0.197 0.000 0.806 280 A HN 0.506 nan 8.150 nan 0.000 0.448 281 N N -0.090 118.596 118.700 -0.023 0.000 2.039 281 N HA -0.129 4.611 4.740 -0.000 0.000 0.193 281 N C 1.520 177.030 175.510 0.001 0.000 1.044 281 N CA 1.740 54.800 53.050 0.016 0.000 0.847 281 N CB -0.303 38.250 38.487 0.110 0.000 1.030 281 N HN 0.209 nan 8.380 nan 0.000 0.422 282 V N 0.727 120.630 119.914 -0.019 0.000 2.453 282 V HA -0.257 3.863 4.120 -0.000 0.000 0.252 282 V C 2.030 178.127 176.094 0.005 0.000 1.068 282 V CA 1.854 64.137 62.300 -0.028 0.000 1.070 282 V CB -0.965 30.785 31.823 -0.122 0.000 0.664 282 V HN 0.446 nan 8.190 nan 0.000 0.461 283 T N 0.037 114.594 114.554 0.005 0.000 2.770 283 T HA -0.050 4.300 4.350 -0.000 0.000 0.263 283 T C 1.905 176.621 174.700 0.027 0.000 1.039 283 T CA 0.959 63.085 62.100 0.042 0.000 1.142 283 T CB -0.247 68.668 68.868 0.078 0.000 0.868 283 T HN 0.143 nan 8.240 nan 0.000 0.435 284 L N 1.620 122.842 121.223 -0.002 0.000 2.017 284 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 284 L C 2.859 179.721 176.870 -0.012 0.000 1.073 284 L CA 1.762 56.592 54.840 -0.016 0.000 0.745 284 L CB -1.645 40.387 42.059 -0.045 0.000 0.894 284 L HN 0.264 nan 8.230 nan 0.000 0.432 285 A N -0.944 121.871 122.820 -0.008 0.000 1.986 285 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 285 A C 2.051 179.716 177.584 0.134 0.000 1.171 285 A CA 1.406 53.465 52.037 0.035 0.000 0.640 285 A CB -0.661 18.366 19.000 0.044 0.000 0.811 285 A HN 0.457 nan 8.150 nan 0.000 0.451 286 L N -1.019 120.257 121.223 0.088 0.000 2.653 286 L HA 0.254 4.594 4.340 -0.000 0.000 0.232 286 L C 1.426 178.348 176.870 0.087 0.000 1.169 286 L CA 0.350 55.245 54.840 0.093 0.000 0.951 286 L CB -0.377 41.722 42.059 0.068 0.000 1.181 286 L HN 0.553 nan 8.230 nan 0.000 0.460 287 G N -0.282 108.572 108.800 0.090 0.000 2.147 287 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.244 287 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.244 287 G C 0.156 175.085 174.900 0.047 0.000 1.005 287 G CA 0.387 45.531 45.100 0.073 0.000 0.713 287 G HN 0.377 nan 8.290 nan 0.000 0.515 288 S N -1.061 114.665 115.700 0.045 0.000 2.759 288 S HA 0.866 5.336 4.470 -0.000 0.000 0.310 288 S C -0.029 174.596 174.600 0.041 0.000 1.123 288 S CA -0.044 58.184 58.200 0.046 0.000 0.959 288 S CB 1.951 65.185 63.200 0.058 0.000 1.172 288 S HN 0.820 nan 8.310 nan 0.000 0.539 289 S N 2.557 118.289 115.700 0.052 0.000 2.659 289 S HA 0.559 5.028 4.470 -0.000 0.000 0.312 289 S C -2.907 171.732 174.600 0.063 0.000 1.114 289 S CA -1.261 56.965 58.200 0.043 0.000 1.063 289 S CB 1.189 64.413 63.200 0.040 0.000 0.996 289 S HN 0.385 nan 8.310 nan 0.000 0.478 290 P HA 0.457 nan 4.420 nan 0.000 0.276 290 P C -0.872 176.456 177.300 0.046 0.000 1.244 290 P CA -0.640 62.480 63.100 0.034 0.000 0.801 290 P CB 0.569 32.174 31.700 -0.160 0.000 1.006 291 I N 2.492 123.120 120.570 0.096 0.000 2.548 291 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 291 I C 0.090 176.258 176.117 0.085 0.000 1.103 291 I CA -0.721 60.623 61.300 0.074 0.000 1.049 291 I CB 2.100 40.153 38.000 0.089 0.000 1.232 291 I HN 0.240 nan 8.210 nan 0.000 0.429 292 M N 4.125 123.750 119.600 0.041 0.000 2.637 292 M HA 0.136 4.616 4.480 -0.000 0.000 0.286 292 M C 0.846 177.171 176.300 0.042 0.000 1.246 292 M CA -0.116 55.210 55.300 0.043 0.000 0.978 292 M CB -1.014 31.589 32.600 0.005 0.000 1.417 292 M HN 0.531 nan 8.290 nan 0.000 0.487 293 S N 1.901 117.632 115.700 0.050 0.000 2.537 293 S HA 0.086 4.556 4.470 -0.000 0.000 0.286 293 S C 0.534 175.160 174.600 0.044 0.000 1.299 293 S CA 0.267 58.494 58.200 0.044 0.000 1.067 293 S CB 0.497 63.726 63.200 0.049 0.000 0.864 293 S HN 0.534 nan 8.310 nan 0.000 0.494 294 E N 3.593 123.812 120.200 0.031 0.000 2.995 294 E HA 0.239 4.589 4.350 -0.000 0.000 0.203 294 E C -0.951 175.663 176.600 0.023 0.000 0.980 294 E CA -0.185 56.232 56.400 0.027 0.000 1.172 294 E CB 0.295 30.006 29.700 0.018 0.000 1.088 294 E HN 0.600 nan 8.360 nan 0.000 0.463 295 I N 1.580 122.165 120.570 0.025 0.000 2.331 295 I HA 0.030 4.200 4.170 -0.000 0.000 0.292 295 I C 1.595 177.723 176.117 0.019 0.000 0.998 295 I CA -0.102 61.209 61.300 0.018 0.000 1.267 295 I CB 1.451 39.460 38.000 0.016 0.000 1.386 295 I HN 0.018 nan 8.210 nan 0.000 0.476 296 Q N 2.814 122.620 119.800 0.010 0.000 2.079 296 Q HA -0.157 4.183 4.340 -0.000 0.000 0.200 296 Q C 1.925 177.926 176.000 0.002 0.000 0.974 296 Q CA 2.050 57.856 55.803 0.005 0.000 0.840 296 Q CB 0.216 28.951 28.738 -0.005 0.000 0.898 296 Q HN 0.911 nan 8.270 nan 0.000 0.430 297 S N -0.024 115.675 115.700 -0.000 0.000 2.428 297 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 297 S C 1.607 176.205 174.600 -0.003 0.000 1.014 297 S CA 1.038 59.235 58.200 -0.005 0.000 0.957 297 S CB -0.098 63.099 63.200 -0.005 0.000 0.784 297 S HN 0.351 nan 8.310 nan 0.000 0.499 298 E N 0.914 121.117 120.200 0.006 0.000 2.158 298 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 298 E C 1.912 178.518 176.600 0.011 0.000 0.982 298 E CA 0.519 56.925 56.400 0.009 0.000 0.823 298 E CB -0.154 29.557 29.700 0.018 0.000 0.766 298 E HN 0.284 nan 8.360 nan 0.000 0.468 299 V N 1.703 121.631 119.914 0.023 0.000 2.439 299 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 299 V C 1.894 177.976 176.094 -0.020 0.000 1.074 299 V CA 2.044 64.369 62.300 0.042 0.000 1.076 299 V CB -0.483 31.380 31.823 0.068 0.000 0.664 299 V HN 0.401 nan 8.190 nan 0.000 0.461 300 N N -0.264 118.415 118.700 -0.036 0.000 2.244 300 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 300 N C 1.525 176.979 175.510 -0.092 0.000 1.016 300 N CA 1.711 54.718 53.050 -0.071 0.000 0.866 300 N CB -0.183 38.274 38.487 -0.050 0.000 0.980 300 N HN 0.608 nan 8.380 nan 0.000 0.430 301 D N 0.244 120.608 120.400 -0.060 0.000 2.183 301 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 301 D C 1.967 178.232 176.300 -0.058 0.000 0.962 301 D CA 0.236 54.205 54.000 -0.052 0.000 0.849 301 D CB 0.198 40.983 40.800 -0.026 0.000 0.978 301 D HN 0.073 nan 8.370 nan 0.000 0.488 302 L N 1.711 122.907 121.223 -0.044 0.000 1.970 302 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 302 L C 2.601 179.404 176.870 -0.112 0.000 1.071 302 L CA 1.485 56.313 54.840 -0.019 0.000 0.751 302 L CB -1.478 40.618 42.059 0.062 0.000 0.889 302 L HN -0.061 nan 8.230 nan 0.000 0.432 303 A N -0.728 121.895 122.820 -0.328 0.000 2.024 303 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 303 A C 2.419 179.812 177.584 -0.319 0.000 1.164 303 A CA 1.732 53.367 52.037 -0.670 0.000 0.643 303 A CB -0.830 17.448 19.000 -1.203 0.000 0.806 303 A HN 0.416 nan 8.150 nan 0.000 0.451 304 A N -0.495 122.209 122.820 -0.193 0.000 2.066 304 A HA 0.220 4.540 4.320 -0.000 0.000 0.218 304 A C 1.021 178.559 177.584 -0.076 0.000 1.157 304 A CA 0.139 52.105 52.037 -0.118 0.000 0.670 304 A CB -0.434 18.515 19.000 -0.085 0.000 0.804 304 A HN 0.478 nan 8.150 nan 0.000 0.453 305 I N 1.223 121.759 120.570 -0.056 0.000 2.710 305 I HA 0.050 4.219 4.170 -0.000 0.000 0.286 305 I C -2.142 173.971 176.117 -0.007 0.000 1.181 305 I CA -1.511 59.780 61.300 -0.015 0.000 1.430 305 I CB 0.589 38.597 38.000 0.013 0.000 1.367 305 I HN 0.076 nan 8.210 nan 0.000 0.577 306 P HA 0.043 nan 4.420 nan 0.000 0.268 306 P C -0.580 176.763 177.300 0.072 0.000 1.205 306 P CA 0.239 63.332 63.100 -0.012 0.000 0.771 306 P CB 0.202 31.919 31.700 0.028 0.000 0.858 307 H N -0.925 118.165 119.070 0.033 0.000 2.741 307 H HA -0.165 4.391 4.556 -0.000 0.000 0.305 307 H C 0.179 175.549 175.328 0.069 0.000 1.169 307 H CA 0.486 56.562 56.048 0.047 0.000 1.144 307 H CB -1.729 28.056 29.762 0.039 0.000 1.397 307 H HN 0.504 nan 8.280 nan 0.000 0.409 308 A N 0.728 123.634 122.820 0.142 0.000 2.354 308 A HA 0.629 4.949 4.320 -0.000 0.000 0.269 308 A C 0.534 178.290 177.584 0.286 0.000 1.109 308 A CA 0.331 52.482 52.037 0.190 0.000 0.800 308 A CB 0.800 19.884 19.000 0.139 0.000 1.045 308 A HN 0.285 nan 8.150 nan 0.000 0.489 309 T N 2.055 116.764 114.554 0.259 0.000 2.916 309 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 309 T C -1.017 173.620 174.700 -0.106 0.000 1.031 309 T CA -0.347 61.825 62.100 0.120 0.000 0.993 309 T CB 1.292 70.190 68.868 0.051 0.000 1.045 309 T HN 0.673 nan 8.240 nan 0.000 0.454 310 L N 3.165 124.136 121.223 -0.421 0.000 2.317 310 L HA 0.762 5.102 4.340 -0.000 0.000 0.281 310 L C -1.432 175.213 176.870 -0.376 0.000 1.024 310 L CA -0.740 53.746 54.840 -0.589 0.000 0.810 310 L CB 1.133 42.516 42.059 -1.127 0.000 1.240 310 L HN 0.676 nan 8.230 nan 0.000 0.427 311 L N 5.304 126.309 121.223 -0.365 0.000 2.325 311 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 311 L C -1.308 175.383 176.870 -0.298 0.000 1.004 311 L CA -0.585 54.044 54.840 -0.352 0.000 0.823 311 L CB 1.495 43.253 42.059 -0.501 0.000 1.236 311 L HN 0.528 nan 8.230 nan 0.000 0.415 312 L N 3.925 124.964 121.223 -0.308 0.000 2.317 312 L HA 0.419 4.759 4.340 -0.000 0.000 0.281 312 L C -0.637 175.993 176.870 -0.400 0.000 1.024 312 L CA -0.244 54.408 54.840 -0.313 0.000 0.810 312 L CB 1.595 43.458 42.059 -0.326 0.000 1.240 312 L HN 0.641 nan 8.230 nan 0.000 0.427 313 N N 1.192 119.696 118.700 -0.327 0.000 2.690 313 N HA 0.154 4.894 4.740 -0.000 0.000 0.255 313 N C -0.664 174.670 175.510 -0.294 0.000 1.195 313 N CA -0.187 52.654 53.050 -0.347 0.000 0.790 313 N CB 0.724 39.031 38.487 -0.300 0.000 1.216 313 N HN 0.524 nan 8.380 nan 0.000 0.528 314 T N 1.845 116.198 114.554 -0.335 0.000 2.626 314 T HA 0.037 4.387 4.350 -0.000 0.000 0.232 314 T C 0.887 175.518 174.700 -0.116 0.000 1.014 314 T CA 1.986 63.982 62.100 -0.175 0.000 1.159 314 T CB -0.263 68.525 68.868 -0.133 0.000 1.026 314 T HN 0.893 nan 8.240 nan 0.000 0.449 315 G N 2.797 111.564 108.800 -0.055 0.000 2.387 315 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.270 315 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.270 315 G C 0.395 175.255 174.900 -0.066 0.000 0.957 315 G CA 0.332 45.407 45.100 -0.041 0.000 1.352 315 G HN 1.583 nan 8.290 nan 0.000 0.457 316 S N -0.727 114.942 115.700 -0.052 0.000 2.952 316 S HA 0.436 4.906 4.470 -0.000 0.000 0.251 316 S C 1.396 175.980 174.600 -0.027 0.000 1.021 316 S CA 0.828 58.992 58.200 -0.060 0.000 1.067 316 S CB 0.860 64.011 63.200 -0.082 0.000 1.002 316 S HN 1.834 nan 8.310 nan 0.000 0.574 317 V N -0.734 119.173 119.914 -0.012 0.000 0.391 317 V HA -0.294 3.825 4.120 -0.000 0.000 0.089 317 V C 1.347 177.444 176.094 0.006 0.000 2.771 317 V CA 1.321 63.620 62.300 -0.001 0.000 3.824 317 V CB -2.378 29.445 31.823 -0.001 0.000 1.089 317 V HN 1.202 nan 8.190 nan 0.000 1.139 318 A N 2.158 124.981 122.820 0.005 0.000 2.524 318 A HA 0.487 4.807 4.320 -0.000 0.000 0.250 318 A C -1.559 176.039 177.584 0.024 0.000 1.078 318 A CA -0.132 51.913 52.037 0.013 0.000 0.761 318 A CB -0.252 18.755 19.000 0.012 0.000 1.012 318 A HN 0.476 nan 8.150 nan 0.000 0.500 319 P HA 0.200 nan 4.420 nan 0.000 0.271 319 P C -2.062 175.261 177.300 0.039 0.000 1.216 319 P CA -1.260 61.857 63.100 0.029 0.000 0.776 319 P CB 0.239 31.949 31.700 0.017 0.000 0.881 320 P HA -0.163 nan 4.420 nan 0.000 0.218 320 P C 0.891 178.188 177.300 -0.004 0.000 1.148 320 P CA 1.403 64.569 63.100 0.109 0.000 0.822 320 P CB -0.088 31.723 31.700 0.185 0.000 0.784 321 E N -1.032 119.149 120.200 -0.031 0.000 2.333 321 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 321 E C 1.835 178.366 176.600 -0.115 0.000 1.007 321 E CA 1.047 57.386 56.400 -0.102 0.000 0.845 321 E CB -0.569 29.097 29.700 -0.056 0.000 0.766 321 E HN 0.353 nan 8.360 nan 0.000 0.507 322 M N -0.531 119.034 119.600 -0.058 0.000 2.447 322 M HA 0.066 4.546 4.480 -0.000 0.000 0.266 322 M C 1.615 177.903 176.300 -0.021 0.000 1.120 322 M CA 1.206 56.486 55.300 -0.033 0.000 1.166 322 M CB 0.158 32.755 32.600 -0.004 0.000 1.349 322 M HN -0.030 nan 8.290 nan 0.000 0.463 323 L N 0.411 121.635 121.223 0.002 0.000 2.046 323 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 323 L C 2.651 179.513 176.870 -0.013 0.000 1.077 323 L CA 1.706 56.582 54.840 0.060 0.000 0.747 323 L CB -1.163 40.997 42.059 0.169 0.000 0.896 323 L HN 0.481 nan 8.230 nan 0.000 0.432 324 K N 0.805 121.016 120.400 -0.314 0.000 2.009 324 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 324 K C 2.177 178.616 176.600 -0.268 0.000 1.049 324 K CA 1.703 57.556 56.287 -0.723 0.000 0.929 324 K CB -0.133 31.677 32.500 -1.150 0.000 0.714 324 K HN 0.245 nan 8.250 nan 0.000 0.440 325 A N 0.818 123.535 122.820 -0.171 0.000 1.972 325 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 325 A C 2.263 179.859 177.584 0.020 0.000 1.169 325 A CA 1.818 53.813 52.037 -0.070 0.000 0.635 325 A CB -0.721 18.245 19.000 -0.057 0.000 0.810 325 A HN 0.530 nan 8.150 nan 0.000 0.446 326 A N 0.280 123.132 122.820 0.054 0.000 1.835 326 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 326 A C 2.089 179.813 177.584 0.233 0.000 1.199 326 A CA 1.511 53.639 52.037 0.152 0.000 0.615 326 A CB -0.768 18.299 19.000 0.111 0.000 0.838 326 A HN 0.459 nan 8.150 nan 0.000 0.444 327 I N -0.893 119.787 120.570 0.184 0.000 2.068 327 I HA -0.371 3.799 4.170 -0.000 0.000 0.238 327 I C 2.742 178.993 176.117 0.223 0.000 1.046 327 I CA 2.252 63.699 61.300 0.245 0.000 1.306 327 I CB -0.362 37.825 38.000 0.312 0.000 1.023 327 I HN 0.398 nan 8.210 nan 0.000 0.399 328 R N 0.885 121.462 120.500 0.129 0.000 2.103 328 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 328 R C 2.324 178.683 176.300 0.099 0.000 1.142 328 R CA 1.875 58.024 56.100 0.082 0.000 0.960 328 R CB -0.436 29.866 30.300 0.004 0.000 0.858 328 R HN 0.445 nan 8.270 nan 0.000 0.439 329 A N -0.510 122.376 122.820 0.111 0.000 1.958 329 A HA -0.220 4.100 4.320 -0.000 0.000 0.221 329 A C 1.857 179.444 177.584 0.005 0.000 1.178 329 A CA 1.638 53.700 52.037 0.043 0.000 0.642 329 A CB -0.713 18.311 19.000 0.039 0.000 0.816 329 A HN 0.555 nan 8.150 nan 0.000 0.453 330 Y N -0.796 119.534 120.300 0.050 0.000 2.397 330 Y HA 0.022 4.572 4.550 -0.000 0.000 0.292 330 Y C 2.228 178.171 175.900 0.073 0.000 1.115 330 Y CA 1.205 59.341 58.100 0.061 0.000 1.208 330 Y CB -0.282 38.225 38.460 0.079 0.000 1.046 330 Y HN 0.398 nan 8.280 nan 0.000 0.552 331 N N -0.150 118.688 118.700 0.229 0.000 2.396 331 N HA -0.155 4.585 4.740 -0.000 0.000 0.180 331 N C 0.888 176.469 175.510 0.118 0.000 1.028 331 N CA 0.836 53.991 53.050 0.175 0.000 0.893 331 N CB 0.011 38.596 38.487 0.163 0.000 0.967 331 N HN 0.233 nan 8.380 nan 0.000 0.440 332 D N 0.088 120.535 120.400 0.078 0.000 2.219 332 D HA -0.047 4.593 4.640 -0.000 0.000 0.205 332 D C 1.237 177.547 176.300 0.016 0.000 0.970 332 D CA 0.813 54.835 54.000 0.036 0.000 0.851 332 D CB 0.250 41.054 40.800 0.006 0.000 0.943 332 D HN 0.093 nan 8.370 nan 0.000 0.488 333 V N 0.433 120.352 119.914 0.007 0.000 3.483 333 V HA 0.092 4.211 4.120 -0.000 0.000 0.301 333 V C 0.570 176.668 176.094 0.007 0.000 1.389 333 V CA -0.216 62.072 62.300 -0.021 0.000 1.101 333 V CB -0.213 31.558 31.823 -0.087 0.000 0.971 333 V HN 0.043 nan 8.190 nan 0.000 0.434 334 K N 0.451 120.877 120.400 0.045 0.000 3.160 334 K HA -0.172 4.148 4.320 -0.000 0.000 0.280 334 K C 0.179 176.815 176.600 0.060 0.000 1.154 334 K CA 0.659 56.970 56.287 0.040 0.000 0.822 334 K CB -1.039 31.457 32.500 -0.007 0.000 1.239 334 K HN 0.491 nan 8.250 nan 0.000 0.489 335 R N 0.043 120.621 120.500 0.129 0.000 2.720 335 R HA 0.415 4.754 4.340 -0.000 0.000 0.272 335 R C -2.453 173.991 176.300 0.242 0.000 0.991 335 R CA -2.080 54.131 56.100 0.185 0.000 1.010 335 R CB 0.963 31.404 30.300 0.236 0.000 1.141 335 R HN -0.171 nan 8.270 nan 0.000 0.494 336 P HA 0.267 nan 4.420 nan 0.000 0.282 336 P C -0.490 176.860 177.300 0.083 0.000 1.262 336 P CA 0.019 63.211 63.100 0.152 0.000 0.773 336 P CB 0.506 32.272 31.700 0.110 0.000 0.879 337 I N 2.969 123.610 120.570 0.117 0.000 2.404 337 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 337 I C -0.280 175.840 176.117 0.005 0.000 0.992 337 I CA -1.219 60.092 61.300 0.019 0.000 1.149 337 I CB 2.032 40.123 38.000 0.153 0.000 1.315 337 I HN -0.034 nan 8.210 nan 0.000 0.446 338 V N 5.993 125.840 119.914 -0.111 0.000 2.459 338 V HA 0.388 4.508 4.120 -0.000 0.000 0.295 338 V C -0.722 175.256 176.094 -0.193 0.000 1.029 338 V CA -0.637 61.602 62.300 -0.102 0.000 0.874 338 V CB 1.853 33.609 31.823 -0.112 0.000 0.985 338 V HN 0.501 nan 8.190 nan 0.000 0.438 339 F N 3.652 123.381 119.950 -0.368 0.000 2.467 339 F HA 0.656 5.183 4.527 -0.000 0.000 0.336 339 F C -0.435 175.207 175.800 -0.264 0.000 1.123 339 F CA -0.510 57.198 58.000 -0.487 0.000 0.964 339 F CB 1.608 40.127 39.000 -0.802 0.000 1.136 339 F HN 0.544 nan 8.300 nan 0.000 0.447 340 D N 8.187 128.143 120.400 -0.741 0.000 2.408 340 D HA 0.367 5.007 4.640 -0.000 0.000 0.261 340 D C -2.671 173.290 176.300 -0.565 0.000 1.190 340 D CA -2.464 51.259 54.000 -0.462 0.000 0.910 340 D CB 1.424 42.062 40.800 -0.270 0.000 1.097 340 D HN 0.128 nan 8.370 nan 0.000 0.522 341 P HA 0.016 nan 4.420 nan 0.000 0.226 341 P C 1.561 178.830 177.300 -0.051 0.000 1.783 341 P CA -0.285 62.666 63.100 -0.249 0.000 0.980 341 P CB 0.159 31.903 31.700 0.074 0.000 1.967 342 V N 0.261 120.123 119.914 -0.085 0.000 2.222 342 V HA -0.308 3.812 4.120 -0.000 0.000 0.252 342 V C 2.201 178.335 176.094 0.066 0.000 1.060 342 V CA 2.525 64.833 62.300 0.013 0.000 1.027 342 V CB -2.291 29.555 31.823 0.039 0.000 0.644 342 V HN 0.341 nan 8.190 nan 0.000 0.448 343 G N -1.606 107.229 108.800 0.059 0.000 2.701 343 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.215 343 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.215 343 G C 0.689 175.670 174.900 0.135 0.000 1.297 343 G CA 2.003 47.147 45.100 0.074 0.000 0.807 343 G HN 1.010 nan 8.290 nan 0.000 0.608 344 Y N -0.825 119.489 120.300 0.023 0.000 2.925 344 Y HA -0.363 4.186 4.550 -0.000 0.000 0.464 344 Y C 2.169 178.091 175.900 0.037 0.000 1.216 344 Y CA 1.706 59.830 58.100 0.041 0.000 2.433 344 Y CB -1.220 37.276 38.460 0.060 0.000 1.252 344 Y HN 0.647 nan 8.280 nan 0.000 0.636 345 S N 0.800 116.368 115.700 -0.219 0.000 2.571 345 S HA -0.003 4.467 4.470 -0.000 0.000 0.245 345 S C 1.651 176.223 174.600 -0.046 0.000 0.976 345 S CA 1.185 59.286 58.200 -0.165 0.000 0.954 345 S CB -0.737 62.492 63.200 0.048 0.000 0.756 345 S HN 1.182 nan 8.310 nan 0.000 0.535 346 A N 1.677 124.494 122.820 -0.006 0.000 1.940 346 A HA 0.108 4.428 4.320 -0.000 0.000 0.219 346 A C 1.607 179.183 177.584 -0.013 0.000 1.176 346 A CA 1.557 53.599 52.037 0.009 0.000 0.631 346 A CB -0.912 18.105 19.000 0.029 0.000 0.814 346 A HN 0.840 nan 8.150 nan 0.000 0.446 347 T N -6.178 108.353 114.554 -0.039 0.000 2.804 347 T HA 0.523 4.873 4.350 -0.000 0.000 0.290 347 T C 0.405 175.069 174.700 -0.060 0.000 1.099 347 T CA -0.368 61.710 62.100 -0.036 0.000 1.011 347 T CB 1.338 70.193 68.868 -0.022 0.000 1.291 347 T HN -0.008 nan 8.240 nan 0.000 0.523 348 E N 0.778 120.953 120.200 -0.043 0.000 2.016 348 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 348 E C 2.265 178.836 176.600 -0.049 0.000 0.985 348 E CA 1.839 58.211 56.400 -0.046 0.000 0.802 348 E CB -0.884 28.800 29.700 -0.027 0.000 0.762 348 E HN 0.839 nan 8.360 nan 0.000 0.448 349 T N 1.112 115.648 114.554 -0.031 0.000 2.849 349 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 349 T C 1.935 176.618 174.700 -0.029 0.000 1.066 349 T CA 1.155 63.242 62.100 -0.021 0.000 1.130 349 T CB -0.022 68.842 68.868 -0.007 0.000 0.864 349 T HN 0.075 nan 8.240 nan 0.000 0.481 350 R N -0.410 120.060 120.500 -0.051 0.000 2.090 350 R HA 0.248 4.588 4.340 -0.000 0.000 0.219 350 R C 2.298 178.518 176.300 -0.133 0.000 1.100 350 R CA 0.212 56.279 56.100 -0.055 0.000 0.991 350 R CB -0.398 29.880 30.300 -0.037 0.000 0.893 350 R HN 0.185 nan 8.270 nan 0.000 0.443 351 L N 1.120 122.194 121.223 -0.248 0.000 1.978 351 L HA -0.254 4.086 4.340 -0.000 0.000 0.218 351 L C 2.063 178.819 176.870 -0.190 0.000 1.075 351 L CA 1.714 56.307 54.840 -0.413 0.000 0.767 351 L CB -0.546 41.315 42.059 -0.330 0.000 0.890 351 L HN 0.203 nan 8.230 nan 0.000 0.434 352 L N -1.009 120.151 121.223 -0.104 0.000 2.081 352 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 352 L C 2.512 179.370 176.870 -0.020 0.000 1.080 352 L CA 2.004 56.815 54.840 -0.048 0.000 0.754 352 L CB -1.021 41.021 42.059 -0.029 0.000 0.893 352 L HN 0.438 nan 8.230 nan 0.000 0.433 353 L N -0.269 120.953 121.223 -0.002 0.000 2.044 353 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 353 L C 2.239 179.152 176.870 0.072 0.000 1.075 353 L CA 1.557 56.420 54.840 0.039 0.000 0.747 353 L CB -0.661 41.429 42.059 0.051 0.000 0.903 353 L HN 0.246 nan 8.230 nan 0.000 0.435 354 N N 0.174 118.951 118.700 0.128 0.000 2.084 354 N HA -0.217 4.523 4.740 -0.000 0.000 0.190 354 N C 1.580 177.175 175.510 0.141 0.000 1.030 354 N CA 1.910 55.122 53.050 0.270 0.000 0.849 354 N CB -0.437 38.346 38.487 0.494 0.000 1.012 354 N HN 0.563 nan 8.380 nan 0.000 0.423 355 N N 0.771 119.531 118.700 0.101 0.000 2.149 355 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 355 N C 1.764 177.202 175.510 -0.121 0.000 1.019 355 N CA 0.467 53.526 53.050 0.015 0.000 0.857 355 N CB -0.033 38.472 38.487 0.030 0.000 0.997 355 N HN 0.069 nan 8.380 nan 0.000 0.426 356 L N 0.846 121.980 121.223 -0.148 0.000 2.005 356 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 356 L C 1.807 178.225 176.870 -0.752 0.000 1.072 356 L CA 1.363 56.001 54.840 -0.337 0.000 0.744 356 L CB -0.665 41.289 42.059 -0.174 0.000 0.895 356 L HN 0.099 nan 8.230 nan 0.000 0.433 357 L N -0.698 120.277 121.223 -0.414 0.000 2.081 357 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 357 L C 2.314 179.033 176.870 -0.251 0.000 1.080 357 L CA 1.593 56.285 54.840 -0.248 0.000 0.754 357 L CB -0.897 41.331 42.059 0.282 0.000 0.893 357 L HN 0.241 nan 8.230 nan 0.000 0.433 358 L N -0.858 120.185 121.223 -0.300 0.000 2.622 358 L HA -0.107 4.233 4.340 -0.000 0.000 0.233 358 L C 1.738 178.370 176.870 -0.397 0.000 1.156 358 L CA 1.125 55.704 54.840 -0.434 0.000 0.866 358 L CB -0.610 41.122 42.059 -0.546 0.000 0.980 358 L HN 0.489 nan 8.230 nan 0.000 0.448 359 T N -6.051 108.287 114.554 -0.359 0.000 3.044 359 T HA 0.094 4.444 4.350 -0.000 0.000 0.260 359 T C 1.282 176.006 174.700 0.040 0.000 1.019 359 T CA -0.147 61.866 62.100 -0.145 0.000 0.921 359 T CB -0.232 68.567 68.868 -0.114 0.000 1.053 359 T HN 0.171 nan 8.240 nan 0.000 0.533 360 F N 1.956 121.896 119.950 -0.016 0.000 2.615 360 F HA 0.441 4.968 4.527 -0.000 0.000 0.297 360 F C 1.724 177.484 175.800 -0.067 0.000 1.124 360 F CA 0.056 58.054 58.000 -0.003 0.000 1.451 360 F CB 0.378 39.417 39.000 0.064 0.000 1.103 360 F HN 0.547 nan 8.300 nan 0.000 0.569 361 G N -0.731 108.047 108.800 -0.038 0.000 2.320 361 G HA2 0.143 4.103 3.960 -0.000 0.000 0.296 361 G HA3 0.143 4.103 3.960 -0.000 0.000 0.296 361 G C -1.976 172.657 174.900 -0.446 0.000 1.306 361 G CA -0.767 44.260 45.100 -0.121 0.000 0.836 361 G HN -0.275 nan 8.290 nan 0.000 0.517 362 Q N 0.293 119.920 119.800 -0.289 0.000 2.296 362 Q HA 0.499 4.839 4.340 -0.000 0.000 0.257 362 Q C -0.829 174.986 176.000 -0.309 0.000 0.942 362 Q CA -0.197 55.356 55.803 -0.417 0.000 0.939 362 Q CB 0.856 29.364 28.738 -0.382 0.000 1.198 362 Q HN 0.379 nan 8.270 nan 0.000 0.429 363 F N 0.333 120.173 119.950 -0.183 0.000 2.379 363 F HA 0.192 4.719 4.527 -0.000 0.000 0.332 363 F C 1.614 177.420 175.800 0.009 0.000 1.096 363 F CA -0.619 57.334 58.000 -0.077 0.000 1.105 363 F CB 1.279 40.223 39.000 -0.094 0.000 1.189 363 F HN 0.451 nan 8.300 nan 0.000 0.515 364 S N 0.346 116.251 115.700 0.343 0.000 2.439 364 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 364 S C -0.047 174.710 174.600 0.262 0.000 1.029 364 S CA 0.088 58.501 58.200 0.354 0.000 0.946 364 S CB 0.236 63.608 63.200 0.287 0.000 0.797 364 S HN 0.677 nan 8.310 nan 0.000 0.504 365 C N 1.226 120.651 119.300 0.208 0.000 3.006 365 C HA 0.611 5.070 4.460 -0.000 0.000 0.359 365 C C -1.842 173.235 174.990 0.144 0.000 1.103 365 C CA -1.114 58.004 59.018 0.166 0.000 1.286 365 C CB 0.115 27.925 27.740 0.118 0.000 1.694 365 C HN 0.411 nan 8.230 nan 0.000 0.511 366 I N 5.820 126.484 120.570 0.158 0.000 2.382 366 I HA 0.400 4.570 4.170 -0.000 0.000 0.285 366 I C -0.187 175.997 176.117 0.111 0.000 1.007 366 I CA -0.267 61.131 61.300 0.163 0.000 1.142 366 I CB 1.234 39.350 38.000 0.194 0.000 1.289 366 I HN 0.616 nan 8.210 nan 0.000 0.453 367 K N 5.999 126.432 120.400 0.054 0.000 2.185 367 K HA 0.807 5.127 4.320 -0.000 0.000 0.269 367 K C -0.590 176.018 176.600 0.012 0.000 0.987 367 K CA -0.296 56.006 56.287 0.026 0.000 0.865 367 K CB 1.956 34.442 32.500 -0.024 0.000 1.090 367 K HN 0.802 nan 8.250 nan 0.000 0.450 368 G N 2.151 110.972 108.800 0.034 0.000 2.684 368 G HA2 0.258 4.218 3.960 -0.000 0.000 0.290 368 G HA3 0.258 4.218 3.960 -0.000 0.000 0.290 368 G C -1.608 173.325 174.900 0.055 0.000 1.425 368 G CA -1.071 44.047 45.100 0.030 0.000 0.822 368 G HN 0.790 nan 8.290 nan 0.000 0.482 369 N N -1.353 117.382 118.700 0.058 0.000 2.476 369 N HA 0.398 5.138 4.740 -0.000 0.000 0.276 369 N C 1.617 177.180 175.510 0.088 0.000 1.204 369 N CA 0.184 53.281 53.050 0.077 0.000 0.974 369 N CB 1.520 40.048 38.487 0.068 0.000 1.204 369 N HN 0.677 nan 8.380 nan 0.000 0.543 370 S N 0.287 116.050 115.700 0.105 0.000 2.429 370 S HA -0.357 4.113 4.470 -0.000 0.000 0.251 370 S C 1.479 176.129 174.600 0.085 0.000 1.104 370 S CA 2.127 60.389 58.200 0.103 0.000 1.130 370 S CB -1.489 61.775 63.200 0.107 0.000 1.000 370 S HN 0.620 nan 8.310 nan 0.000 0.449 371 S N 2.469 118.218 115.700 0.082 0.000 2.338 371 S HA -0.092 4.378 4.470 -0.000 0.000 0.218 371 S C 1.925 176.588 174.600 0.104 0.000 1.032 371 S CA 1.235 59.487 58.200 0.087 0.000 0.999 371 S CB -0.661 62.589 63.200 0.083 0.000 0.905 371 S HN 0.787 nan 8.310 nan 0.000 0.439 372 E N 1.189 121.448 120.200 0.098 0.000 2.049 372 E HA -0.136 4.213 4.350 -0.000 0.000 0.198 372 E C 1.969 178.579 176.600 0.016 0.000 1.007 372 E CA 1.152 57.601 56.400 0.081 0.000 0.809 372 E CB -0.348 29.387 29.700 0.058 0.000 0.749 372 E HN 0.326 nan 8.360 nan 0.000 0.450 373 I N 1.016 121.609 120.570 0.038 0.000 2.315 373 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 373 I C 2.453 178.592 176.117 0.036 0.000 1.117 373 I CA 1.011 62.331 61.300 0.034 0.000 1.404 373 I CB -0.696 37.345 38.000 0.070 0.000 1.071 373 I HN 0.181 nan 8.210 nan 0.000 0.419 374 L N 0.376 121.631 121.223 0.054 0.000 2.056 374 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 374 L C 2.541 179.457 176.870 0.077 0.000 1.078 374 L CA 1.458 56.331 54.840 0.056 0.000 0.749 374 L CB -0.672 41.423 42.059 0.059 0.000 0.901 374 L HN 0.245 nan 8.230 nan 0.000 0.433 375 G N -0.224 108.646 108.800 0.117 0.000 2.459 375 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 375 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 375 G C 1.559 176.577 174.900 0.197 0.000 1.183 375 G CA 0.681 45.915 45.100 0.222 0.000 0.776 375 G HN 0.282 nan 8.290 nan 0.000 0.552 376 L N 0.598 121.793 121.223 -0.047 0.000 2.129 376 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 376 L C 3.116 180.029 176.870 0.071 0.000 1.087 376 L CA 1.051 55.831 54.840 -0.101 0.000 0.757 376 L CB -0.130 41.818 42.059 -0.184 0.000 0.896 376 L HN 0.354 nan 8.230 nan 0.000 0.434 377 A N -1.421 121.429 122.820 0.050 0.000 2.238 377 A HA 0.003 4.322 4.320 -0.000 0.000 0.210 377 A C 0.953 178.553 177.584 0.026 0.000 1.179 377 A CA 0.233 52.286 52.037 0.027 0.000 0.827 377 A CB 0.004 19.014 19.000 0.016 0.000 0.856 377 A HN 0.469 nan 8.150 nan 0.000 0.488 378 E N -3.535 116.701 120.200 0.059 0.000 2.759 378 E HA -0.202 4.148 4.350 -0.000 0.000 0.280 378 E C -0.017 176.603 176.600 0.033 0.000 1.009 378 E CA 0.510 56.944 56.400 0.056 0.000 0.849 378 E CB -2.677 27.047 29.700 0.040 0.000 1.415 378 E HN 0.889 nan 8.360 nan 0.000 0.412 395 N N -0.808 117.911 118.700 0.032 0.000 2.026 395 N HA 0.234 4.974 4.740 -0.000 0.000 0.239 395 N C 1.023 176.473 175.510 -0.101 0.000 1.283 395 N CA 1.341 54.416 53.050 0.042 0.000 0.816 395 N CB 0.237 38.795 38.487 0.118 0.000 1.263 395 N HN 0.551 nan 8.380 nan 0.000 0.470 396 E N 0.725 120.871 120.200 -0.090 0.000 2.122 396 E HA 0.111 4.461 4.350 -0.000 0.000 0.190 396 E C 1.750 178.256 176.600 -0.157 0.000 0.977 396 E CA 1.013 57.333 56.400 -0.134 0.000 0.820 396 E CB -0.633 29.020 29.700 -0.078 0.000 0.770 396 E HN 0.225 nan 8.360 nan 0.000 0.462 397 L N 0.252 121.412 121.223 -0.105 0.000 2.083 397 L HA -0.011 4.329 4.340 -0.000 0.000 0.209 397 L C 2.466 179.262 176.870 -0.123 0.000 1.083 397 L CA 1.432 56.219 54.840 -0.088 0.000 0.752 397 L CB -0.313 41.721 42.059 -0.042 0.000 0.899 397 L HN 0.387 nan 8.230 nan 0.000 0.433 398 L N -0.875 120.252 121.223 -0.160 0.000 1.970 398 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 398 L C 2.570 179.229 176.870 -0.353 0.000 1.071 398 L CA 1.742 56.462 54.840 -0.201 0.000 0.751 398 L CB -0.667 41.287 42.059 -0.175 0.000 0.889 398 L HN 0.280 nan 8.230 nan 0.000 0.432 399 I N -0.321 119.872 120.570 -0.629 0.000 2.145 399 I HA -0.420 3.750 4.170 -0.000 0.000 0.244 399 I C 2.631 178.608 176.117 -0.233 0.000 1.075 399 I CA 1.890 62.863 61.300 -0.545 0.000 1.332 399 I CB -0.857 36.852 38.000 -0.483 0.000 1.033 399 I HN 0.531 nan 8.210 nan 0.000 0.410 400 Q N 1.068 120.760 119.800 -0.180 0.000 2.030 400 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 400 Q C 2.335 178.289 176.000 -0.077 0.000 0.986 400 Q CA 2.431 58.169 55.803 -0.109 0.000 0.843 400 Q CB -0.086 28.597 28.738 -0.091 0.000 0.904 400 Q HN 0.539 nan 8.270 nan 0.000 0.420 401 A N -0.224 122.554 122.820 -0.069 0.000 1.969 401 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 401 A C 2.198 179.780 177.584 -0.002 0.000 1.169 401 A CA 1.686 53.706 52.037 -0.029 0.000 0.635 401 A CB -0.817 18.175 19.000 -0.013 0.000 0.810 401 A HN 0.494 nan 8.150 nan 0.000 0.445 402 T N 0.440 114.991 114.554 -0.004 0.000 2.622 402 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 402 T C 1.958 176.694 174.700 0.059 0.000 1.047 402 T CA 1.605 63.737 62.100 0.053 0.000 1.159 402 T CB -0.215 68.706 68.868 0.088 0.000 0.863 402 T HN 0.455 nan 8.240 nan 0.000 0.422 403 K N 1.057 121.474 120.400 0.029 0.000 2.032 403 K HA -0.136 4.184 4.320 -0.000 0.000 0.218 403 K C 2.239 178.866 176.600 0.044 0.000 1.054 403 K CA 1.403 57.711 56.287 0.034 0.000 0.941 403 K CB -0.918 31.573 32.500 -0.014 0.000 0.720 403 K HN 0.360 nan 8.250 nan 0.000 0.449 404 I N 1.120 121.692 120.570 0.003 0.000 2.145 404 I HA -0.300 3.870 4.170 -0.000 0.000 0.244 404 I C 2.510 178.637 176.117 0.017 0.000 1.075 404 I CA 1.573 62.869 61.300 -0.007 0.000 1.332 404 I CB -0.630 37.353 38.000 -0.030 0.000 1.033 404 I HN -0.052 nan 8.210 nan 0.000 0.410 405 V N 0.870 120.806 119.914 0.036 0.000 2.453 405 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 405 V C 2.682 178.834 176.094 0.097 0.000 1.048 405 V CA 1.686 64.025 62.300 0.065 0.000 1.049 405 V CB -0.775 31.124 31.823 0.127 0.000 0.672 405 V HN 0.477 nan 8.190 nan 0.000 0.457 406 A N -0.690 122.199 122.820 0.115 0.000 1.930 406 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 406 A C 2.088 179.720 177.584 0.079 0.000 1.175 406 A CA 1.772 53.883 52.037 0.123 0.000 0.627 406 A CB -0.605 18.478 19.000 0.138 0.000 0.815 406 A HN 0.522 nan 8.150 nan 0.000 0.443 407 F N 0.511 120.425 119.950 -0.060 0.000 2.163 407 F HA -0.032 4.495 4.527 -0.000 0.000 0.297 407 F C 2.172 177.856 175.800 -0.194 0.000 1.094 407 F CA 1.950 59.886 58.000 -0.105 0.000 1.290 407 F CB -0.039 38.902 39.000 -0.098 0.000 1.017 407 F HN 0.167 nan 8.300 nan 0.000 0.483 408 K N -0.751 119.598 120.400 -0.084 0.000 2.211 408 K HA -0.186 4.134 4.320 -0.000 0.000 0.203 408 K C 0.715 176.906 176.600 -0.681 0.000 1.050 408 K CA 1.510 57.565 56.287 -0.386 0.000 0.945 408 K CB -0.289 31.897 32.500 -0.523 0.000 0.732 408 K HN 0.439 nan 8.250 nan 0.000 0.451 409 Y N 0.956 121.155 120.300 -0.168 0.000 2.636 409 Y HA 0.210 4.760 4.550 -0.000 0.000 0.260 409 Y C -0.449 175.277 175.900 -0.289 0.000 1.177 409 Y CA -0.945 57.021 58.100 -0.224 0.000 1.209 409 Y CB 0.827 39.188 38.460 -0.165 0.000 1.166 409 Y HN -0.177 nan 8.280 nan 0.000 0.531 410 K N 1.856 122.075 120.400 -0.301 0.000 5.095 410 K HA -0.218 4.102 4.320 -0.000 0.000 0.311 410 K C -0.209 176.359 176.600 -0.054 0.000 0.785 410 K CA 1.054 57.142 56.287 -0.332 0.000 0.935 410 K CB -1.181 30.837 32.500 -0.803 0.000 1.912 410 K HN 0.475 nan 8.250 nan 0.000 0.396 411 T N -1.188 113.400 114.554 0.057 0.000 2.749 411 T HA 0.405 4.754 4.350 -0.000 0.000 0.310 411 T C -1.058 173.758 174.700 0.192 0.000 1.496 411 T CA -0.565 61.633 62.100 0.164 0.000 1.006 411 T CB 1.348 70.311 68.868 0.159 0.000 1.457 411 T HN 0.014 nan 8.240 nan 0.000 0.497 412 V N 2.647 122.703 119.914 0.237 0.000 2.470 412 V HA 0.600 4.720 4.120 -0.000 0.000 0.276 412 V C 0.664 176.887 176.094 0.215 0.000 1.040 412 V CA -0.137 62.316 62.300 0.256 0.000 1.008 412 V CB 0.289 32.285 31.823 0.288 0.000 0.990 412 V HN 0.976 nan 8.190 nan 0.000 0.477 413 A N 5.768 128.714 122.820 0.210 0.000 2.285 413 A HA 0.727 5.047 4.320 -0.000 0.000 0.310 413 A C -0.548 177.143 177.584 0.179 0.000 1.266 413 A CA -0.478 51.667 52.037 0.180 0.000 0.832 413 A CB 1.023 20.125 19.000 0.169 0.000 1.163 413 A HN 0.602 nan 8.150 nan 0.000 0.499 414 V N 1.451 121.453 119.914 0.146 0.000 2.607 414 V HA 0.411 4.531 4.120 -0.000 0.000 0.289 414 V C 0.175 176.350 176.094 0.135 0.000 1.053 414 V CA -0.442 61.939 62.300 0.136 0.000 0.996 414 V CB 1.261 33.132 31.823 0.080 0.000 0.995 414 V HN 0.978 nan 8.190 nan 0.000 0.476 415 C N 5.246 124.652 119.300 0.176 0.000 2.396 415 C HA 0.805 5.265 4.460 -0.000 0.000 0.321 415 C C 0.492 175.590 174.990 0.180 0.000 1.233 415 C CA -0.042 59.090 59.018 0.190 0.000 1.440 415 C CB 0.535 28.431 27.740 0.260 0.000 2.110 415 C HN 1.096 nan 8.230 nan 0.000 0.473 416 T N 2.918 117.547 114.554 0.126 0.000 2.937 416 T HA 0.980 5.330 4.350 -0.000 0.000 0.283 416 T C 0.319 175.083 174.700 0.106 0.000 1.012 416 T CA 0.309 62.463 62.100 0.089 0.000 0.997 416 T CB 1.551 70.449 68.868 0.049 0.000 1.136 416 T HN 2.257 nan 8.240 nan 0.000 0.551 417 G N -0.232 108.611 108.800 0.071 0.000 2.325 417 G HA2 0.076 4.036 3.960 -0.000 0.000 0.285 417 G HA3 0.076 4.036 3.960 -0.000 0.000 0.285 417 G C 0.258 175.162 174.900 0.007 0.000 1.303 417 G CA 0.193 45.333 45.100 0.067 0.000 0.970 417 G HN 0.901 nan 8.290 nan 0.000 0.490 418 E N -0.966 119.220 120.200 -0.023 0.000 2.070 418 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 418 E C 0.332 176.737 176.600 -0.325 0.000 1.004 418 E CA 1.232 57.532 56.400 -0.168 0.000 0.805 418 E CB -0.110 29.477 29.700 -0.188 0.000 0.744 418 E HN 0.282 nan 8.360 nan 0.000 0.451 419 F N 1.448 121.323 119.950 -0.124 0.000 2.408 419 F HA 0.260 4.787 4.527 -0.000 0.000 0.344 419 F C -0.244 175.235 175.800 -0.535 0.000 1.112 419 F CA -0.873 56.901 58.000 -0.376 0.000 1.096 419 F CB 1.283 39.957 39.000 -0.542 0.000 1.129 419 F HN -0.151 nan 8.300 nan 0.000 0.486 420 D N 4.006 124.238 120.400 -0.281 0.000 2.233 420 D HA 0.291 4.931 4.640 -0.000 0.000 0.240 420 D C -0.738 175.346 176.300 -0.361 0.000 1.074 420 D CA 0.021 53.895 54.000 -0.211 0.000 0.838 420 D CB 1.099 41.870 40.800 -0.048 0.000 1.124 420 D HN 0.146 nan 8.370 nan 0.000 0.475 421 F N 1.332 121.367 119.950 0.142 0.000 2.480 421 F HA 0.516 5.043 4.527 -0.000 0.000 0.329 421 F C 0.553 176.434 175.800 0.136 0.000 1.091 421 F CA -0.938 57.139 58.000 0.128 0.000 0.972 421 F CB 1.581 40.643 39.000 0.103 0.000 1.150 421 F HN 0.048 nan 8.300 nan 0.000 0.467 422 I N 2.960 123.735 120.570 0.342 0.000 2.493 422 I HA 0.462 4.632 4.170 -0.000 0.000 0.279 422 I C -0.487 175.889 176.117 0.431 0.000 1.045 422 I CA -0.622 60.872 61.300 0.323 0.000 1.106 422 I CB 1.281 39.417 38.000 0.227 0.000 1.216 422 I HN 0.674 nan 8.210 nan 0.000 0.459 423 A N 3.692 126.709 122.820 0.328 0.000 2.304 423 A HA 0.544 4.864 4.320 -0.000 0.000 0.301 423 A C -0.613 177.100 177.584 0.214 0.000 1.132 423 A CA -0.297 51.881 52.037 0.235 0.000 0.819 423 A CB 0.846 19.940 19.000 0.156 0.000 1.094 423 A HN 0.651 nan 8.150 nan 0.000 0.492 424 D N 1.661 122.057 120.400 -0.006 0.000 2.464 424 D HA 0.441 5.081 4.640 -0.000 0.000 0.243 424 D C 0.664 176.958 176.300 -0.009 0.000 1.104 424 D CA 0.165 54.119 54.000 -0.076 0.000 0.883 424 D CB 0.701 41.175 40.800 -0.542 0.000 1.050 424 D HN 0.471 nan 8.370 nan 0.000 0.524 425 G N 1.899 110.743 108.800 0.073 0.000 3.434 425 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.258 425 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.258 425 G C 1.246 176.160 174.900 0.022 0.000 1.128 425 G CA 0.372 45.514 45.100 0.070 0.000 0.792 425 G HN 0.504 nan 8.290 nan 0.000 0.539 426 T N -1.158 113.461 114.554 0.109 0.000 2.985 426 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 426 T C 1.441 176.281 174.700 0.234 0.000 1.076 426 T CA 0.353 62.597 62.100 0.240 0.000 1.135 426 T CB -0.270 68.788 68.868 0.317 0.000 0.890 426 T HN 0.543 nan 8.240 nan 0.000 0.480 427 I N 2.436 123.081 120.570 0.124 0.000 6.833 427 I HA -0.281 3.889 4.170 -0.000 0.000 0.126 427 I C 0.644 176.841 176.117 0.135 0.000 1.810 427 I CA 0.799 62.169 61.300 0.117 0.000 2.119 427 I CB -1.984 36.088 38.000 0.120 0.000 3.512 427 I HN 0.476 nan 8.210 nan 0.000 0.194 428 E N -1.097 119.156 120.200 0.089 0.000 3.912 428 E HA -0.344 4.006 4.350 -0.000 0.000 0.335 428 E C 1.221 177.855 176.600 0.056 0.000 0.654 428 E CA 1.214 57.645 56.400 0.052 0.000 1.177 428 E CB -1.591 28.134 29.700 0.042 0.000 1.650 428 E HN 1.693 nan 8.360 nan 0.000 0.430 429 G N 1.300 110.199 108.800 0.165 0.000 2.203 429 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.231 429 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.231 429 G C -0.145 174.850 174.900 0.158 0.000 1.058 429 G CA 0.580 45.737 45.100 0.096 0.000 0.781 429 G HN 0.164 nan 8.290 nan 0.000 0.496 430 K N -0.050 120.525 120.400 0.292 0.000 2.183 430 K HA 0.612 4.932 4.320 -0.000 0.000 0.274 430 K C 0.096 176.949 176.600 0.422 0.000 1.009 430 K CA -0.718 55.721 56.287 0.253 0.000 0.888 430 K CB 0.981 33.569 32.500 0.148 0.000 1.078 430 K HN 0.492 nan 8.250 nan 0.000 0.459 431 Y N -1.084 119.320 120.300 0.173 0.000 2.633 431 Y HA 0.725 5.275 4.550 -0.000 0.000 0.339 431 Y C -0.388 175.565 175.900 0.088 0.000 1.045 431 Y CA -1.209 56.986 58.100 0.159 0.000 1.098 431 Y CB 1.399 39.974 38.460 0.190 0.000 1.296 431 Y HN 0.612 nan 8.280 nan 0.000 0.494 432 S N -0.178 115.613 115.700 0.151 0.000 2.661 432 S HA 0.497 4.967 4.470 -0.000 0.000 0.268 432 S C -1.338 173.320 174.600 0.097 0.000 1.162 432 S CA -1.126 57.098 58.200 0.039 0.000 0.817 432 S CB 0.870 64.083 63.200 0.022 0.000 1.141 432 S HN 0.761 nan 8.310 nan 0.000 0.477 433 L N 1.539 122.799 121.223 0.061 0.000 2.978 433 L HA 0.596 4.936 4.340 -0.000 0.000 0.239 433 L C -0.032 176.872 176.870 0.055 0.000 1.293 433 L CA 0.024 54.904 54.840 0.068 0.000 1.085 433 L CB -0.696 41.403 42.059 0.066 0.000 1.432 433 L HN 0.830 nan 8.230 nan 0.000 0.512 438 N N 1.274 120.020 118.700 0.077 0.000 2.251 438 N HA -0.187 4.553 4.740 -0.000 0.000 0.196 438 N C 2.075 177.648 175.510 0.106 0.000 0.993 438 N CA 2.433 55.543 53.050 0.101 0.000 0.896 438 N CB -1.577 36.962 38.487 0.087 0.000 0.994 438 N HN 0.700 nan 8.380 nan 0.000 0.452 439 G N -1.057 107.784 108.800 0.068 0.000 2.564 439 G HA2 0.004 3.964 3.960 -0.000 0.000 0.217 439 G HA3 0.004 3.964 3.960 -0.000 0.000 0.217 439 G C 0.740 175.662 174.900 0.037 0.000 1.120 439 G CA 1.138 46.264 45.100 0.044 0.000 0.752 439 G HN 0.569 nan 8.290 nan 0.000 0.558 440 T N 2.043 116.640 114.554 0.071 0.000 3.185 440 T HA 0.380 4.730 4.350 -0.000 0.000 0.287 440 T C 1.049 175.758 174.700 0.015 0.000 1.051 440 T CA 0.138 62.273 62.100 0.059 0.000 1.051 440 T CB 0.278 69.213 68.868 0.111 0.000 1.034 440 T HN 0.423 nan 8.240 nan 0.000 0.685 441 S N 2.437 118.071 115.700 -0.110 0.000 2.589 441 S HA 0.028 4.497 4.470 -0.000 0.000 0.256 441 S C 1.831 176.098 174.600 -0.555 0.000 1.383 441 S CA -0.636 57.373 58.200 -0.319 0.000 0.983 441 S CB 0.252 63.312 63.200 -0.233 0.000 0.908 441 S HN 0.311 nan 8.310 nan 0.000 0.572 442 V N 1.789 121.183 119.914 -0.867 0.000 2.278 442 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 442 V C 2.447 178.358 176.094 -0.306 0.000 1.062 442 V CA 2.488 64.329 62.300 -0.766 0.000 1.038 442 V CB -1.670 29.837 31.823 -0.525 0.000 0.646 442 V HN 1.006 nan 8.190 nan 0.000 0.447 443 E N 0.084 120.145 120.200 -0.231 0.000 2.511 443 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 443 E C 0.956 177.501 176.600 -0.092 0.000 1.066 443 E CA 0.795 57.115 56.400 -0.133 0.000 0.871 443 E CB -0.181 29.449 29.700 -0.117 0.000 0.863 443 E HN 0.568 nan 8.360 nan 0.000 0.520 444 D N 1.271 121.616 120.400 -0.091 0.000 2.366 444 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 444 D C 1.008 177.292 176.300 -0.026 0.000 1.022 444 D CA -0.067 53.902 54.000 -0.052 0.000 0.868 444 D CB 0.154 40.928 40.800 -0.044 0.000 0.953 444 D HN 0.385 nan 8.370 nan 0.000 0.514 445 I N 0.204 120.770 120.570 -0.007 0.000 2.588 445 I HA 0.215 4.385 4.170 -0.000 0.000 0.283 445 I C -2.226 173.876 176.117 -0.024 0.000 1.119 445 I CA -1.691 59.614 61.300 0.008 0.000 1.419 445 I CB 0.137 38.180 38.000 0.072 0.000 1.394 445 I HN -0.312 nan 8.210 nan 0.000 0.562 446 P HA 0.016 nan 4.420 nan 0.000 0.264 446 P C -0.799 176.482 177.300 -0.032 0.000 1.193 446 P CA -0.187 62.873 63.100 -0.067 0.000 0.763 446 P CB 0.746 32.346 31.700 -0.166 0.000 0.810 447 C N 4.603 123.969 119.300 0.110 0.000 2.608 447 C HA 0.628 5.088 4.460 -0.000 0.000 0.325 447 C C -0.072 175.102 174.990 0.308 0.000 1.147 447 C CA -0.330 58.814 59.018 0.210 0.000 1.359 447 C CB 0.805 28.636 27.740 0.152 0.000 1.912 447 C HN 0.578 nan 8.230 nan 0.000 0.466 448 V N 3.231 123.366 119.914 0.367 0.000 3.234 448 V HA 1.054 5.174 4.120 -0.000 0.000 0.317 448 V C 0.031 176.285 176.094 0.268 0.000 1.147 448 V CA -0.143 62.331 62.300 0.289 0.000 1.037 448 V CB 1.411 33.381 31.823 0.244 0.000 1.148 448 V HN 1.542 nan 8.190 nan 0.000 0.455 449 A N 0.319 123.237 122.820 0.164 0.000 2.413 449 A HA 0.905 5.225 4.320 -0.000 0.000 0.307 449 A C -1.080 176.535 177.584 0.052 0.000 1.087 449 A CA -0.704 51.375 52.037 0.071 0.000 0.750 449 A CB 2.073 21.100 19.000 0.044 0.000 1.296 449 A HN 1.437 nan 8.150 nan 0.000 0.423 450 V N 1.794 121.723 119.914 0.025 0.000 2.524 450 V HA 0.440 4.560 4.120 -0.000 0.000 0.297 450 V C -0.352 175.777 176.094 0.058 0.000 1.035 450 V CA -0.389 61.942 62.300 0.051 0.000 0.867 450 V CB 1.427 33.267 31.823 0.029 0.000 1.004 450 V HN 0.982 nan 8.190 nan 0.000 0.426 451 E N 3.753 123.997 120.200 0.073 0.000 2.244 451 E HA 0.819 5.169 4.350 -0.000 0.000 0.266 451 E C -0.141 176.426 176.600 -0.055 0.000 0.914 451 E CA -0.265 56.104 56.400 -0.052 0.000 0.794 451 E CB 2.357 32.098 29.700 0.069 0.000 1.210 451 E HN 0.679 nan 8.360 nan 0.000 0.414 452 A N 2.589 125.337 122.820 -0.119 0.000 2.631 452 A HA 0.505 4.825 4.320 -0.000 0.000 0.258 452 A C 0.445 177.975 177.584 -0.090 0.000 1.027 452 A CA 0.508 52.504 52.037 -0.070 0.000 1.015 452 A CB 0.127 19.098 19.000 -0.047 0.000 1.206 452 A HN 1.049 nan 8.150 nan 0.000 0.556 453 G N 0.544 109.253 108.800 -0.152 0.000 2.756 453 G HA2 0.036 3.996 3.960 -0.000 0.000 0.678 453 G HA3 0.036 3.996 3.960 -0.000 0.000 0.678 453 G C -2.793 172.023 174.900 -0.140 0.000 1.349 453 G CA -0.401 44.616 45.100 -0.138 0.000 0.847 453 G HN 0.498 nan 8.290 nan 0.000 0.548 454 P HA 0.547 nan 4.420 nan 0.000 0.267 454 P C 0.502 177.754 177.300 -0.080 0.000 1.205 454 P CA 1.049 64.090 63.100 -0.099 0.000 0.765 454 P CB 0.460 32.115 31.700 -0.076 0.000 0.828 466 C N 3.008 122.285 119.300 -0.038 0.000 2.434 466 C HA 0.222 4.682 4.460 -0.000 0.000 0.298 466 C C 2.766 177.650 174.990 -0.176 0.000 1.495 466 C CA 1.844 60.823 59.018 -0.065 0.000 1.756 466 C CB -1.672 26.134 27.740 0.109 0.000 1.647 466 C HN 0.337 nan 8.230 nan 0.000 0.579 467 S N 0.828 116.344 115.700 -0.307 0.000 2.447 467 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 467 S C 1.538 175.856 174.600 -0.470 0.000 1.006 467 S CA 1.076 59.017 58.200 -0.431 0.000 0.957 467 S CB -0.438 62.398 63.200 -0.607 0.000 0.773 467 S HN 0.657 nan 8.310 nan 0.000 0.507 468 L N 3.031 123.792 121.223 -0.770 0.000 1.989 468 L HA -0.007 4.333 4.340 -0.000 0.000 0.211 468 L C 2.349 178.999 176.870 -0.367 0.000 1.071 468 L CA 2.136 56.483 54.840 -0.821 0.000 0.749 468 L CB -1.628 40.010 42.059 -0.701 0.000 0.890 468 L HN 0.298 nan 8.230 nan 0.000 0.431 469 G N -1.302 107.341 108.800 -0.261 0.000 2.599 469 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.219 469 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.219 469 G C 1.617 176.420 174.900 -0.161 0.000 1.193 469 G CA 1.288 46.280 45.100 -0.180 0.000 0.778 469 G HN 0.509 nan 8.290 nan 0.000 0.589 470 S N -0.138 115.478 115.700 -0.141 0.000 2.382 470 S HA -0.110 4.360 4.470 -0.000 0.000 0.228 470 S C 2.499 177.070 174.600 -0.047 0.000 1.027 470 S CA 1.725 59.892 58.200 -0.054 0.000 0.991 470 S CB -0.410 62.813 63.200 0.038 0.000 0.823 470 S HN 0.518 nan 8.310 nan 0.000 0.469 471 T N 3.011 117.519 114.554 -0.077 0.000 2.639 471 T HA 0.028 4.378 4.350 -0.000 0.000 0.261 471 T C 1.792 176.480 174.700 -0.020 0.000 1.053 471 T CA 1.222 63.309 62.100 -0.023 0.000 1.158 471 T CB -0.501 68.367 68.868 -0.000 0.000 0.863 471 T HN 0.287 nan 8.240 nan 0.000 0.413 472 I N 1.764 122.304 120.570 -0.050 0.000 2.113 472 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 472 I C 2.978 179.083 176.117 -0.019 0.000 1.057 472 I CA 1.679 62.961 61.300 -0.029 0.000 1.314 472 I CB -0.945 37.028 38.000 -0.046 0.000 1.022 472 I HN 0.234 nan 8.210 nan 0.000 0.408 473 A N 0.314 123.104 122.820 -0.050 0.000 1.892 473 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 473 A C 2.516 180.095 177.584 -0.009 0.000 1.188 473 A CA 2.287 54.292 52.037 -0.054 0.000 0.631 473 A CB -1.280 17.642 19.000 -0.131 0.000 0.822 473 A HN 0.587 nan 8.150 nan 0.000 0.447 474 C N -1.097 118.206 119.300 0.004 0.000 2.436 474 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 474 C C 2.910 177.922 174.990 0.037 0.000 1.241 474 C CA 1.315 60.352 59.018 0.031 0.000 1.721 474 C CB -1.087 26.677 27.740 0.040 0.000 2.043 474 C HN 0.593 nan 8.230 nan 0.000 0.472 475 M N 0.816 120.437 119.600 0.035 0.000 2.110 475 M HA -0.157 4.323 4.480 -0.000 0.000 0.257 475 M C 2.033 178.361 176.300 0.047 0.000 1.071 475 M CA 1.915 57.241 55.300 0.043 0.000 1.096 475 M CB -1.472 31.154 32.600 0.045 0.000 1.300 475 M HN 0.373 nan 8.290 nan 0.000 0.411 476 I N -0.482 120.116 120.570 0.047 0.000 2.264 476 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 476 I C 2.514 178.679 176.117 0.080 0.000 1.111 476 I CA 1.435 62.771 61.300 0.060 0.000 1.382 476 I CB -1.118 36.916 38.000 0.058 0.000 1.060 476 I HN 0.373 nan 8.210 nan 0.000 0.418 477 G N 0.483 109.331 108.800 0.080 0.000 2.422 477 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 477 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 477 G C 1.667 176.666 174.900 0.166 0.000 1.140 477 G CA 0.754 45.927 45.100 0.122 0.000 0.775 477 G HN 0.507 nan 8.290 nan 0.000 0.545 478 G N -0.506 108.337 108.800 0.072 0.000 2.511 478 G HA2 0.026 3.986 3.960 -0.000 0.000 0.217 478 G HA3 0.026 3.986 3.960 -0.000 0.000 0.217 478 G C 0.892 175.805 174.900 0.022 0.000 1.133 478 G CA -0.111 44.970 45.100 -0.032 0.000 0.792 478 G HN 0.295 nan 8.290 nan 0.000 0.539 479 Q N 1.196 121.052 119.800 0.093 0.000 2.286 479 Q HA 0.152 4.492 4.340 -0.000 0.000 0.290 479 Q C -2.275 173.824 176.000 0.165 0.000 1.049 479 Q CA -0.912 54.951 55.803 0.099 0.000 0.923 479 Q CB 0.943 29.730 28.738 0.082 0.000 1.183 479 Q HN 0.208 nan 8.270 nan 0.000 0.383 480 P HA 0.163 nan 4.420 nan 0.000 0.284 480 P C 0.683 178.026 177.300 0.072 0.000 1.258 480 P CA -0.373 62.818 63.100 0.151 0.000 0.824 480 P CB 1.074 32.840 31.700 0.110 0.000 1.038 481 S N 1.757 117.482 115.700 0.042 0.000 2.264 481 S HA -0.285 4.185 4.470 -0.000 0.000 0.361 481 S C 0.854 175.456 174.600 0.002 0.000 1.089 481 S CA 2.428 60.631 58.200 0.005 0.000 1.906 481 S CB -1.173 62.026 63.200 -0.001 0.000 1.538 481 S HN 0.721 nan 8.310 nan 0.000 0.491 482 E N 1.606 121.812 120.200 0.010 0.000 2.528 482 E HA 0.417 4.767 4.350 -0.000 0.000 0.237 482 E C 0.517 177.131 176.600 0.022 0.000 1.408 482 E CA 0.359 56.764 56.400 0.009 0.000 1.571 482 E CB -0.860 28.846 29.700 0.011 0.000 1.395 482 E HN 0.471 nan 8.360 nan 0.000 0.438 483 G N 0.522 109.338 108.800 0.027 0.000 2.630 483 G HA2 0.316 4.276 3.960 -0.000 0.000 0.223 483 G HA3 0.316 4.276 3.960 -0.000 0.000 0.223 483 G C -0.656 174.269 174.900 0.042 0.000 1.434 483 G CA -0.831 44.295 45.100 0.044 0.000 1.057 483 G HN 0.331 nan 8.290 nan 0.000 0.570 484 N N -1.775 116.961 118.700 0.060 0.000 2.425 484 N HA 0.259 4.999 4.740 -0.000 0.000 0.289 484 N C 0.517 176.065 175.510 0.062 0.000 1.074 484 N CA -0.642 52.437 53.050 0.048 0.000 0.905 484 N CB 1.929 40.442 38.487 0.043 0.000 1.586 484 N HN 0.264 nan 8.380 nan 0.000 0.490 485 L N 3.945 125.199 121.223 0.051 0.000 1.994 485 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 485 L C 1.578 178.532 176.870 0.141 0.000 1.071 485 L CA 1.809 56.700 54.840 0.085 0.000 0.745 485 L CB -0.828 41.276 42.059 0.074 0.000 0.892 485 L HN 0.749 nan 8.230 nan 0.000 0.431 486 F N -0.177 119.764 119.950 -0.016 0.000 2.095 486 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 486 F C 2.606 178.448 175.800 0.070 0.000 1.104 486 F CA 1.988 59.989 58.000 0.002 0.000 1.232 486 F CB -0.565 38.397 39.000 -0.063 0.000 0.987 486 F HN 0.283 nan 8.300 nan 0.000 0.475 487 H N -0.082 118.982 119.070 -0.010 0.000 2.353 487 H HA -0.022 4.534 4.556 -0.000 0.000 0.300 487 H C 2.388 177.644 175.328 -0.119 0.000 1.090 487 H CA 1.192 57.169 56.048 -0.118 0.000 1.327 487 H CB -1.114 28.648 29.762 -0.000 0.000 1.383 487 H HN 0.348 nan 8.280 nan 0.000 0.508 488 A N 0.586 123.458 122.820 0.087 0.000 1.865 488 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 488 A C 2.858 180.447 177.584 0.008 0.000 1.191 488 A CA 2.176 54.244 52.037 0.052 0.000 0.623 488 A CB -1.044 17.994 19.000 0.063 0.000 0.826 488 A HN 0.232 nan 8.150 nan 0.000 0.444 489 V N -0.365 119.539 119.914 -0.018 0.000 2.332 489 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 489 V C 2.576 178.622 176.094 -0.080 0.000 1.055 489 V CA 2.060 64.340 62.300 -0.033 0.000 1.038 489 V CB -0.890 30.931 31.823 -0.004 0.000 0.651 489 V HN 0.381 nan 8.190 nan 0.000 0.450 490 V N 0.188 119.983 119.914 -0.198 0.000 2.295 490 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 490 V C 2.730 178.798 176.094 -0.044 0.000 1.049 490 V CA 2.026 64.217 62.300 -0.182 0.000 1.024 490 V CB -1.202 30.422 31.823 -0.332 0.000 0.648 490 V HN 0.570 nan 8.190 nan 0.000 0.447 491 A N 0.603 123.414 122.820 -0.015 0.000 1.873 491 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 491 A C 2.465 180.111 177.584 0.104 0.000 1.193 491 A CA 2.355 54.430 52.037 0.063 0.000 0.629 491 A CB -1.489 17.544 19.000 0.055 0.000 0.826 491 A HN 0.549 nan 8.150 nan 0.000 0.447 492 G N -0.684 108.153 108.800 0.061 0.000 2.476 492 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 492 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 492 G C 1.499 176.441 174.900 0.070 0.000 1.164 492 G CA 1.510 46.646 45.100 0.059 0.000 0.768 492 G HN 0.421 nan 8.290 nan 0.000 0.560 493 V N 1.131 121.072 119.914 0.045 0.000 2.515 493 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 493 V C 2.884 179.039 176.094 0.101 0.000 1.058 493 V CA 1.570 63.906 62.300 0.061 0.000 1.064 493 V CB -0.357 31.483 31.823 0.029 0.000 0.675 493 V HN 0.306 nan 8.190 nan 0.000 0.461 494 M N -0.738 118.928 119.600 0.110 0.000 2.101 494 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 494 M C 2.322 178.663 176.300 0.068 0.000 1.083 494 M CA 1.751 57.142 55.300 0.150 0.000 1.114 494 M CB -1.134 31.629 32.600 0.272 0.000 1.281 494 M HN 0.241 nan 8.290 nan 0.000 0.422 495 L N -0.682 120.589 121.223 0.081 0.000 2.113 495 L HA -0.343 3.997 4.340 -0.000 0.000 0.221 495 L C 2.532 179.287 176.870 -0.191 0.000 1.084 495 L CA 2.211 56.919 54.840 -0.220 0.000 0.787 495 L CB -0.614 41.450 42.059 0.009 0.000 0.893 495 L HN 0.304 nan 8.230 nan 0.000 0.440 496 Y N 0.302 120.523 120.300 -0.132 0.000 2.153 496 Y HA -0.266 4.284 4.550 -0.000 0.000 0.289 496 Y C 2.669 178.508 175.900 -0.102 0.000 1.119 496 Y CA 1.955 59.989 58.100 -0.110 0.000 1.116 496 Y CB -0.164 38.258 38.460 -0.063 0.000 1.004 496 Y HN -0.037 nan 8.280 nan 0.000 0.501 497 K N 0.702 121.150 120.400 0.079 0.000 2.127 497 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 497 K C 2.087 178.608 176.600 -0.131 0.000 1.047 497 K CA 1.504 57.785 56.287 -0.010 0.000 0.927 497 K CB -0.792 31.731 32.500 0.038 0.000 0.716 497 K HN 0.455 nan 8.250 nan 0.000 0.450 498 A N 0.368 123.070 122.820 -0.197 0.000 1.835 498 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 498 A C 2.372 179.745 177.584 -0.351 0.000 1.199 498 A CA 2.330 54.180 52.037 -0.311 0.000 0.615 498 A CB -1.382 17.244 19.000 -0.623 0.000 0.838 498 A HN 0.378 nan 8.150 nan 0.000 0.444 499 A N -0.598 121.964 122.820 -0.430 0.000 1.997 499 A HA -0.020 4.300 4.320 -0.000 0.000 0.221 499 A C 2.411 179.794 177.584 -0.336 0.000 1.172 499 A CA 2.300 54.106 52.037 -0.385 0.000 0.645 499 A CB -1.550 17.211 19.000 -0.399 0.000 0.813 499 A HN 0.892 nan 8.150 nan 0.000 0.454 500 G N -0.747 107.856 108.800 -0.328 0.000 2.459 500 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 500 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 500 G C 1.795 176.679 174.900 -0.026 0.000 1.183 500 G CA 2.650 47.656 45.100 -0.158 0.000 0.776 500 G HN 0.855 nan 8.290 nan 0.000 0.552 501 K N 1.056 121.413 120.400 -0.071 0.000 1.978 501 K HA 0.016 4.336 4.320 -0.000 0.000 0.214 501 K C 2.392 178.966 176.600 -0.043 0.000 1.049 501 K CA 1.483 57.746 56.287 -0.040 0.000 0.939 501 K CB -1.002 31.464 32.500 -0.056 0.000 0.721 501 K HN 0.382 nan 8.250 nan 0.000 0.441 502 I N 0.860 121.370 120.570 -0.100 0.000 2.091 502 I HA -0.369 3.801 4.170 -0.000 0.000 0.240 502 I C 3.007 179.074 176.117 -0.083 0.000 1.046 502 I CA 1.844 63.084 61.300 -0.100 0.000 1.306 502 I CB -0.626 37.285 38.000 -0.149 0.000 1.018 502 I HN 0.493 nan 8.210 nan 0.000 0.404 503 A N 0.782 123.517 122.820 -0.141 0.000 1.908 503 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 503 A C 2.478 180.104 177.584 0.070 0.000 1.181 503 A CA 2.492 54.422 52.037 -0.179 0.000 0.627 503 A CB -1.005 17.655 19.000 -0.567 0.000 0.818 503 A HN 0.594 nan 8.150 nan 0.000 0.445 504 S N -0.272 115.568 115.700 0.234 0.000 2.420 504 S HA -0.215 4.255 4.470 -0.000 0.000 0.237 504 S C 1.516 176.190 174.600 0.122 0.000 1.023 504 S CA 1.732 60.107 58.200 0.291 0.000 0.991 504 S CB -0.422 62.871 63.200 0.156 0.000 0.792 504 S HN 0.692 nan 8.310 nan 0.000 0.488 505 E N 0.514 120.751 120.200 0.062 0.000 2.364 505 E HA 0.118 4.468 4.350 -0.000 0.000 0.196 505 E C 1.205 177.816 176.600 0.018 0.000 0.990 505 E CA 0.384 56.798 56.400 0.024 0.000 0.886 505 E CB 0.192 29.893 29.700 0.002 0.000 0.866 505 E HN 0.646 nan 8.360 nan 0.000 0.493 506 K N 0.566 120.976 120.400 0.017 0.000 2.399 506 K HA 0.147 4.467 4.320 -0.000 0.000 0.204 506 K C 0.500 177.111 176.600 0.018 0.000 1.023 506 K CA -0.203 56.087 56.287 0.004 0.000 1.127 506 K CB 0.348 32.836 32.500 -0.020 0.000 0.856 506 K HN 0.083 nan 8.250 nan 0.000 0.514 507 C N -0.358 118.976 119.300 0.057 0.000 2.403 507 C HA 0.397 4.857 4.460 -0.000 0.000 0.361 507 C C 0.882 175.898 174.990 0.043 0.000 1.274 507 C CA -0.749 58.316 59.018 0.078 0.000 2.433 507 C CB 0.562 28.420 27.740 0.196 0.000 2.323 507 C HN 0.345 nan 8.230 nan 0.000 0.614 508 N N 0.266 118.986 118.700 0.035 0.000 2.159 508 N HA 0.370 5.110 4.740 -0.000 0.000 0.217 508 N C 0.348 175.864 175.510 0.009 0.000 1.223 508 N CA 0.812 53.871 53.050 0.014 0.000 0.896 508 N CB 1.339 39.829 38.487 0.005 0.000 1.064 508 N HN 1.125 nan 8.380 nan 0.000 0.518 509 G N -0.227 108.586 108.800 0.022 0.000 2.321 509 G HA2 0.057 4.017 3.960 -0.000 0.000 0.298 509 G HA3 0.057 4.017 3.960 -0.000 0.000 0.298 509 G C 0.212 175.131 174.900 0.031 0.000 1.385 509 G CA -0.160 44.943 45.100 0.005 0.000 0.856 509 G HN -0.049 nan 8.290 nan 0.000 0.584 510 S N -0.540 115.156 115.700 -0.006 0.000 2.400 510 S HA -0.049 4.421 4.470 -0.000 0.000 0.232 510 S C 2.475 177.105 174.600 0.049 0.000 1.025 510 S CA 2.189 60.391 58.200 0.002 0.000 0.993 510 S CB -0.540 62.631 63.200 -0.047 0.000 0.808 510 S HN 1.552 nan 8.310 nan 0.000 0.478 511 G N 2.482 111.289 108.800 0.012 0.000 2.484 511 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 511 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 511 G C 1.721 176.622 174.900 0.001 0.000 1.219 511 G CA 1.442 46.536 45.100 -0.010 0.000 0.791 511 G HN 0.724 nan 8.290 nan 0.000 0.550 512 S N 0.170 115.881 115.700 0.018 0.000 2.447 512 S HA -0.041 4.429 4.470 -0.000 0.000 0.233 512 S C 2.060 176.675 174.600 0.026 0.000 1.006 512 S CA 1.175 59.381 58.200 0.009 0.000 0.957 512 S CB -0.436 62.769 63.200 0.008 0.000 0.773 512 S HN 0.359 nan 8.310 nan 0.000 0.507 513 F N 2.496 122.407 119.950 -0.065 0.000 2.095 513 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 513 F C 2.644 178.404 175.800 -0.067 0.000 1.104 513 F CA 1.966 59.928 58.000 -0.063 0.000 1.232 513 F CB -0.646 38.318 39.000 -0.061 0.000 0.987 513 F HN 0.289 nan 8.300 nan 0.000 0.475 514 Q N -0.041 119.731 119.800 -0.047 0.000 2.050 514 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 514 Q C 2.364 178.247 176.000 -0.195 0.000 0.980 514 Q CA 2.248 57.943 55.803 -0.181 0.000 0.840 514 Q CB -0.506 28.099 28.738 -0.222 0.000 0.898 514 Q HN 0.443 nan 8.270 nan 0.000 0.424 515 V N 0.335 120.164 119.914 -0.141 0.000 2.515 515 V HA -0.172 3.948 4.120 -0.000 0.000 0.250 515 V C 1.758 177.783 176.094 -0.116 0.000 1.058 515 V CA 1.902 64.142 62.300 -0.101 0.000 1.064 515 V CB -0.284 31.495 31.823 -0.073 0.000 0.675 515 V HN 0.381 nan 8.190 nan 0.000 0.461 516 E N 0.076 120.175 120.200 -0.168 0.000 2.107 516 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 516 E C 2.177 178.615 176.600 -0.269 0.000 0.982 516 E CA 1.392 57.679 56.400 -0.189 0.000 0.809 516 E CB -0.309 29.285 29.700 -0.178 0.000 0.756 516 E HN 0.651 nan 8.360 nan 0.000 0.459 517 L N 0.830 121.791 121.223 -0.436 0.000 2.012 517 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 517 L C 2.352 179.098 176.870 -0.207 0.000 1.073 517 L CA 1.191 55.763 54.840 -0.446 0.000 0.748 517 L CB -0.185 41.551 42.059 -0.537 0.000 0.891 517 L HN 0.096 nan 8.230 nan 0.000 0.431 518 I N -0.344 120.175 120.570 -0.085 0.000 2.202 518 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 518 I C 2.076 178.190 176.117 -0.005 0.000 1.091 518 I CA 1.332 62.631 61.300 -0.002 0.000 1.368 518 I CB -0.396 37.636 38.000 0.054 0.000 1.058 518 I HN 0.264 nan 8.210 nan 0.000 0.410 519 D N 1.006 121.392 120.400 -0.023 0.000 2.106 519 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 519 D C 2.261 178.568 176.300 0.012 0.000 0.997 519 D CA 1.762 55.778 54.000 0.026 0.000 0.834 519 D CB -0.239 40.555 40.800 -0.009 0.000 0.956 519 D HN 0.323 nan 8.370 nan 0.000 0.448 520 A N 0.320 123.090 122.820 -0.083 0.000 1.892 520 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 520 A C 2.413 179.920 177.584 -0.127 0.000 1.188 520 A CA 1.276 53.234 52.037 -0.131 0.000 0.631 520 A CB -0.959 17.918 19.000 -0.206 0.000 0.822 520 A HN 0.304 nan 8.150 nan 0.000 0.447 521 L N -2.191 118.970 121.223 -0.105 0.000 2.083 521 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 521 L C 2.592 179.474 176.870 0.019 0.000 1.083 521 L CA 1.800 56.596 54.840 -0.073 0.000 0.752 521 L CB -0.480 41.555 42.059 -0.040 0.000 0.899 521 L HN 0.640 nan 8.230 nan 0.000 0.433 522 Y N 0.823 121.085 120.300 -0.064 0.000 2.109 522 Y HA -0.221 4.329 4.550 -0.000 0.000 0.285 522 Y C 2.738 178.621 175.900 -0.028 0.000 1.131 522 Y CA 1.468 59.547 58.100 -0.035 0.000 1.121 522 Y CB -0.306 38.135 38.460 -0.030 0.000 0.987 522 Y HN -0.041 nan 8.280 nan 0.000 0.495 523 R N -0.696 119.678 120.500 -0.211 0.000 2.096 523 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 523 R C 2.107 178.307 176.300 -0.166 0.000 1.127 523 R CA 1.416 57.360 56.100 -0.261 0.000 0.968 523 R CB -0.604 29.618 30.300 -0.130 0.000 0.861 523 R HN 0.304 nan 8.270 nan 0.000 0.440 524 L N 0.587 121.737 121.223 -0.121 0.000 2.017 524 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 524 L C 2.537 179.442 176.870 0.057 0.000 1.073 524 L CA 2.277 57.078 54.840 -0.066 0.000 0.745 524 L CB -0.995 40.914 42.059 -0.250 0.000 0.894 524 L HN 0.320 nan 8.230 nan 0.000 0.432 525 T N -4.413 110.150 114.554 0.014 0.000 3.055 525 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 525 T C 2.074 176.778 174.700 0.006 0.000 1.111 525 T CA 0.607 62.749 62.100 0.070 0.000 1.118 525 T CB -0.066 68.841 68.868 0.066 0.000 0.909 525 T HN 0.056 nan 8.240 nan 0.000 0.501 526 R N 2.306 122.746 120.500 -0.099 0.000 2.062 526 R HA 0.118 4.458 4.340 -0.000 0.000 0.226 526 R C 1.157 177.414 176.300 -0.071 0.000 1.125 526 R CA 1.045 57.062 56.100 -0.138 0.000 0.966 526 R CB -0.223 29.877 30.300 -0.333 0.000 0.861 526 R HN 0.812 nan 8.270 nan 0.000 0.433 527 E N 1.004 121.176 120.200 -0.046 0.000 1.941 527 E HA 0.057 4.407 4.350 -0.000 0.000 0.275 527 E C -0.625 176.008 176.600 0.056 0.000 1.113 527 E CA -0.241 56.159 56.400 0.001 0.000 0.878 527 E CB 0.275 29.980 29.700 0.008 0.000 1.070 527 E HN -0.069 nan 8.360 nan 0.000 0.399 528 N N 3.796 122.510 118.700 0.023 0.000 3.254 528 N HA -0.009 4.731 4.740 -0.000 0.000 0.308 528 N C -0.816 174.664 175.510 -0.051 0.000 1.281 528 N CA 0.087 53.149 53.050 0.021 0.000 1.212 528 N CB 0.301 38.784 38.487 -0.007 0.000 1.478 528 N HN 0.600 nan 8.380 nan 0.000 0.548 529 T N -1.560 112.969 114.554 -0.042 0.000 3.466 529 T HA 0.342 4.692 4.350 -0.000 0.000 0.297 529 T C -2.084 172.367 174.700 -0.414 0.000 1.640 529 T CA -1.553 60.457 62.100 -0.151 0.000 1.631 529 T CB 1.389 70.228 68.868 -0.047 0.000 0.928 529 T HN -0.028 nan 8.240 nan 0.000 0.688 530 P HA 0.035 nan 4.420 nan 0.000 0.221 530 P C 1.983 178.735 177.300 -0.913 0.000 1.145 530 P CA 0.702 62.719 63.100 -1.805 0.000 0.795 530 P CB -0.200 30.624 31.700 -1.459 0.000 0.775 531 V N 0.089 119.731 119.914 -0.454 0.000 2.688 531 V HA -0.219 3.901 4.120 -0.000 0.000 0.256 531 V C 2.070 178.095 176.094 -0.113 0.000 1.084 531 V CA 2.767 64.931 62.300 -0.227 0.000 1.103 531 V CB -1.833 29.900 31.823 -0.149 0.000 0.688 531 V HN 0.325 nan 8.190 nan 0.000 0.480 532 T N -4.470 110.040 114.554 -0.072 0.000 3.244 532 T HA 0.204 4.554 4.350 -0.000 0.000 0.254 532 T C -0.160 174.712 174.700 0.288 0.000 1.024 532 T CA -0.577 61.577 62.100 0.089 0.000 0.920 532 T CB -0.573 68.356 68.868 0.101 0.000 1.042 532 T HN 0.465 nan 8.240 nan 0.000 0.572 533 W N 0.738 122.022 121.300 -0.026 0.000 2.365 533 W HA 0.750 5.410 4.660 -0.000 0.000 0.316 533 W C 1.265 177.771 176.519 -0.023 0.000 1.164 533 W CA -1.933 55.396 57.345 -0.027 0.000 1.204 533 W CB 0.938 30.381 29.460 -0.028 0.000 1.213 533 W HN 0.208 nan 8.180 nan 0.000 0.539 534 A N 4.300 127.220 122.820 0.168 0.000 1.972 534 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 534 A C -1.107 176.522 177.584 0.074 0.000 1.169 534 A CA 0.923 53.009 52.037 0.081 0.000 0.635 534 A CB -1.973 17.040 19.000 0.021 0.000 0.810 534 A HN 0.402 nan 8.150 nan 0.000 0.446 535 P HA 0.476 nan 4.420 nan 0.000 0.285 535 P C -0.735 176.617 177.300 0.086 0.000 1.259 535 P CA 0.022 63.165 63.100 0.071 0.000 0.794 535 P CB 1.068 32.810 31.700 0.069 0.000 0.940 536 K N 2.932 123.370 120.400 0.064 0.000 2.185 536 K HA 0.480 4.800 4.320 -0.000 0.000 0.269 536 K C -0.785 175.853 176.600 0.063 0.000 0.987 536 K CA -0.858 55.466 56.287 0.061 0.000 0.865 536 K CB 0.965 33.501 32.500 0.060 0.000 1.090 536 K HN 0.646 nan 8.250 nan 0.000 0.450 537 L N 2.232 123.480 121.223 0.043 0.000 2.298 537 L HA 0.672 5.012 4.340 -0.000 0.000 0.284 537 L C 0.289 177.158 176.870 -0.001 0.000 1.013 537 L CA 0.173 55.029 54.840 0.027 0.000 0.824 537 L CB 1.711 43.775 42.059 0.008 0.000 1.221 537 L HN 0.934 nan 8.230 nan 0.000 0.418 538 T N 0.712 115.274 114.554 0.013 0.000 2.807 538 T HA 0.515 4.865 4.350 -0.000 0.000 0.277 538 T C -0.228 174.452 174.700 -0.034 0.000 1.006 538 T CA -0.655 61.442 62.100 -0.005 0.000 1.006 538 T CB 0.874 69.780 68.868 0.062 0.000 1.274 538 T HN 0.561 nan 8.240 nan 0.000 0.569 539 H N 0.702 119.828 119.070 0.093 0.000 2.502 539 H HA 0.555 5.111 4.556 -0.000 0.000 0.327 539 H C 1.069 176.451 175.328 0.090 0.000 1.099 539 H CA 0.296 56.403 56.048 0.099 0.000 1.323 539 H CB 1.126 30.935 29.762 0.077 0.000 1.450 539 H HN 1.099 nan 8.280 nan 0.000 0.502 540 T N 0.000 114.709 114.554 0.259 0.000 3.816 540 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 540 T CA 0.000 62.204 62.100 0.173 0.000 1.349 540 T CB 0.000 68.989 68.868 0.201 0.000 0.612 540 T HN 0.000 nan 8.240 nan 0.000 0.658