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 3ifh_1_V DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.871 174.900 -0.049 0.000 0.946 3 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 4 S N 0.347 116.025 115.700 -0.036 0.000 2.410 4 S HA 0.810 5.280 4.470 0.000 0.000 0.304 4 S C -0.390 174.196 174.600 -0.023 0.000 1.095 4 S CA -0.196 57.988 58.200 -0.027 0.000 1.089 4 S CB 0.814 64.003 63.200 -0.018 0.000 0.968 4 S HN 0.508 nan 8.310 nan 0.000 0.480 5 M N 2.308 121.894 119.600 -0.023 0.000 2.414 5 M HA 0.404 4.884 4.480 0.000 0.000 0.287 5 M C 0.854 177.148 176.300 -0.010 0.000 1.181 5 M CA -0.495 54.796 55.300 -0.015 0.000 0.933 5 M CB 2.082 34.670 32.600 -0.020 0.000 1.732 5 M HN 0.620 nan 8.290 nan 0.000 0.486 6 K N 0.457 120.855 120.400 -0.003 0.000 2.228 6 K HA -0.130 4.190 4.320 0.000 0.000 0.205 6 K C 0.244 176.847 176.600 0.005 0.000 1.045 6 K CA 2.308 58.595 56.287 0.001 0.000 0.931 6 K CB -0.357 32.145 32.500 0.004 0.000 0.727 6 K HN 0.688 nan 8.250 nan 0.000 0.458 7 D N -1.761 118.644 120.400 0.009 0.000 2.323 7 D HA 0.275 4.915 4.640 0.000 0.000 0.242 7 D C -2.659 173.648 176.300 0.012 0.000 1.347 7 D CA -2.025 51.989 54.000 0.022 0.000 0.988 7 D CB 1.958 42.785 40.800 0.046 0.000 1.314 7 D HN -0.035 nan 8.370 nan 0.000 0.564 8 P HA 0.050 nan 4.420 nan 0.000 0.245 8 P C 0.937 178.189 177.300 -0.080 0.000 1.203 8 P CA 0.239 63.309 63.100 -0.050 0.000 0.792 8 P CB 0.203 31.864 31.700 -0.064 0.000 0.997 9 S N -0.869 114.793 115.700 -0.064 0.000 2.660 9 S HA 0.051 4.521 4.470 0.000 0.000 0.228 9 S C 1.462 175.931 174.600 -0.218 0.000 0.966 9 S CA 0.346 58.445 58.200 -0.170 0.000 0.940 9 S CB -1.358 61.763 63.200 -0.131 0.000 0.773 9 S HN 0.113 nan 8.310 nan 0.000 0.535 10 L N -0.262 120.946 121.223 -0.025 0.000 2.375 10 L HA 0.291 4.631 4.340 0.000 0.000 0.215 10 L C 0.975 177.812 176.870 -0.056 0.000 1.108 10 L CA 0.112 54.986 54.840 0.058 0.000 0.830 10 L CB -0.238 41.898 42.059 0.127 0.000 0.959 10 L HN 0.324 nan 8.230 nan 0.000 0.457 11 L N 2.350 123.504 121.223 -0.115 0.000 2.437 11 L HA 0.140 4.480 4.340 0.000 0.000 0.243 11 L C 0.523 177.329 176.870 -0.107 0.000 1.346 11 L CA 0.050 54.791 54.840 -0.166 0.000 1.233 11 L CB -0.838 41.090 42.059 -0.218 0.000 1.436 11 L HN 0.035 nan 8.230 nan 0.000 0.416 12 R N 1.052 121.498 120.500 -0.090 0.000 2.694 12 R HA 0.114 4.454 4.340 0.000 0.000 0.268 12 R C -0.074 176.289 176.300 0.106 0.000 1.061 12 R CA -0.007 56.037 56.100 -0.093 0.000 1.133 12 R CB 0.011 30.153 30.300 -0.264 0.000 1.020 12 R HN 0.424 nan 8.270 nan 0.000 0.475 13 H N -0.808 118.236 119.070 -0.043 0.000 2.767 13 H HA 0.309 4.865 4.556 0.000 0.000 0.260 13 H C -0.397 174.948 175.328 0.029 0.000 1.172 13 H CA -0.125 55.939 56.048 0.026 0.000 1.048 13 H CB 0.700 30.446 29.762 -0.027 0.000 1.697 13 H HN 0.377 nan 8.280 nan 0.000 0.606 14 Q N -0.035 119.880 119.800 0.192 0.000 2.423 14 Q HA 0.748 5.088 4.340 0.000 0.000 0.278 14 Q C -0.625 175.613 176.000 0.397 0.000 1.097 14 Q CA -1.154 54.803 55.803 0.255 0.000 0.809 14 Q CB 3.085 32.001 28.738 0.298 0.000 1.391 14 Q HN 0.345 nan 8.270 nan 0.000 0.428 15 A N 0.783 123.761 122.820 0.264 0.000 2.313 15 A HA 0.273 4.593 4.320 0.000 0.000 0.261 15 A C -1.410 176.262 177.584 0.145 0.000 1.090 15 A CA 0.087 52.246 52.037 0.204 0.000 0.807 15 A CB 0.244 19.295 19.000 0.086 0.000 1.055 15 A HN 0.652 nan 8.150 nan 0.000 0.492 16 Y N 1.896 122.047 120.300 -0.248 0.000 2.491 16 Y HA 0.478 5.028 4.550 0.000 0.000 0.334 16 Y C -0.784 174.895 175.900 -0.368 0.000 0.969 16 Y CA -1.426 56.287 58.100 -0.645 0.000 1.241 16 Y CB 0.682 38.622 38.460 -0.866 0.000 1.105 16 Y HN 0.372 nan 8.280 nan 0.000 0.503 17 I N 5.520 125.750 120.570 -0.566 0.000 2.390 17 I HA 0.308 4.478 4.170 0.000 0.000 0.283 17 I C 1.062 176.894 176.117 -0.474 0.000 1.016 17 I CA -0.577 60.484 61.300 -0.397 0.000 1.151 17 I CB 0.752 38.631 38.000 -0.202 0.000 1.293 17 I HN 0.883 nan 8.210 nan 0.000 0.458 18 G N 4.720 113.244 108.800 -0.460 0.000 2.258 18 G HA2 -0.162 3.798 3.960 0.000 0.000 0.274 18 G HA3 -0.162 3.798 3.960 0.000 0.000 0.274 18 G C 1.014 175.642 174.900 -0.452 0.000 1.021 18 G CA 0.856 45.732 45.100 -0.373 0.000 0.798 18 G HN 1.615 nan 8.290 nan 0.000 0.507 19 G N -1.897 106.402 108.800 -0.835 0.000 2.179 19 G HA2 -0.141 3.819 3.960 0.000 0.000 0.220 19 G HA3 -0.141 3.819 3.960 0.000 0.000 0.220 19 G C -0.051 174.530 174.900 -0.532 0.000 0.990 19 G CA 0.644 45.321 45.100 -0.706 0.000 0.646 19 G HN 0.975 nan 8.290 nan 0.000 0.517 20 E N -1.016 118.848 120.200 -0.559 0.000 2.207 20 E HA 0.509 4.859 4.350 0.000 0.000 0.270 20 E C -0.846 175.558 176.600 -0.326 0.000 0.927 20 E CA -1.101 55.139 56.400 -0.268 0.000 0.799 20 E CB 1.139 30.764 29.700 -0.125 0.000 1.172 20 E HN 0.264 nan 8.360 nan 0.000 0.404 21 W N 2.509 123.859 121.300 0.083 0.000 2.416 21 W HA 0.189 4.849 4.660 0.000 0.000 0.318 21 W C 0.328 176.866 176.519 0.032 0.000 1.150 21 W CA -0.208 57.197 57.345 0.099 0.000 1.392 21 W CB 0.486 29.999 29.460 0.088 0.000 1.311 21 W HN 0.262 nan 8.180 nan 0.000 0.436 22 Q N 1.941 121.846 119.800 0.175 0.000 2.378 22 Q HA 0.847 5.187 4.340 0.000 0.000 0.276 22 Q C -0.418 175.643 176.000 0.101 0.000 1.083 22 Q CA -1.092 54.768 55.803 0.095 0.000 0.856 22 Q CB 2.197 30.944 28.738 0.014 0.000 1.383 22 Q HN 0.503 nan 8.270 nan 0.000 0.458 23 A N 0.350 123.208 122.820 0.064 0.000 2.350 23 A HA 0.805 5.125 4.320 0.000 0.000 0.318 23 A C -0.871 176.733 177.584 0.034 0.000 1.132 23 A CA -0.524 51.544 52.037 0.051 0.000 0.811 23 A CB 1.088 20.112 19.000 0.041 0.000 1.313 23 A HN 0.732 nan 8.150 nan 0.000 0.454 24 A N 0.531 123.369 122.820 0.031 0.000 2.546 24 A HA 0.295 4.615 4.320 0.000 0.000 0.243 24 A C 0.568 178.166 177.584 0.024 0.000 1.063 24 A CA 0.145 52.200 52.037 0.029 0.000 0.757 24 A CB -0.214 18.808 19.000 0.037 0.000 0.991 24 A HN 0.768 nan 8.150 nan 0.000 0.503 25 D N 1.374 121.785 120.400 0.019 0.000 2.292 25 D HA -0.158 4.482 4.640 0.000 0.000 0.205 25 D C 1.814 178.124 176.300 0.016 0.000 0.994 25 D CA 2.226 56.235 54.000 0.014 0.000 0.897 25 D CB 0.062 40.868 40.800 0.011 0.000 0.907 25 D HN 0.674 nan 8.370 nan 0.000 0.467 26 S N -1.574 114.139 115.700 0.021 0.000 2.603 26 S HA 0.119 4.589 4.470 0.000 0.000 0.232 26 S C 0.645 175.259 174.600 0.023 0.000 1.016 26 S CA 0.330 58.543 58.200 0.021 0.000 0.976 26 S CB 0.928 64.142 63.200 0.025 0.000 0.921 26 S HN 0.001 nan 8.310 nan 0.000 0.516 27 D N 0.963 121.378 120.400 0.023 0.000 3.077 27 D HA -0.191 4.449 4.640 0.000 0.000 0.217 27 D C 0.270 176.586 176.300 0.027 0.000 1.162 27 D CA 0.913 54.926 54.000 0.022 0.000 0.943 27 D CB -1.457 39.353 40.800 0.017 0.000 1.122 27 D HN 0.873 nan 8.370 nan 0.000 0.413 28 A N 0.152 122.995 122.820 0.038 0.000 2.520 28 A HA 0.494 4.814 4.320 0.000 0.000 0.245 28 A C 0.846 178.464 177.584 0.057 0.000 1.072 28 A CA 1.001 53.071 52.037 0.054 0.000 0.761 28 A CB 0.352 19.393 19.000 0.067 0.000 1.004 28 A HN 0.611 nan 8.150 nan 0.000 0.499 29 T N -0.354 114.235 114.554 0.059 0.000 2.896 29 T HA 0.751 5.101 4.350 0.000 0.000 0.297 29 T C -0.571 174.186 174.700 0.095 0.000 1.108 29 T CA -0.599 61.505 62.100 0.006 0.000 1.004 29 T CB 1.290 70.129 68.868 -0.049 0.000 1.159 29 T HN 1.231 nan 8.240 nan 0.000 0.499 30 F N -0.932 119.029 119.950 0.018 0.000 2.577 30 F HA 0.839 5.366 4.527 0.000 0.000 0.318 30 F C -0.171 175.632 175.800 0.005 0.000 1.065 30 F CA -1.330 56.682 58.000 0.020 0.000 0.929 30 F CB 1.367 40.377 39.000 0.018 0.000 1.237 30 F HN 0.774 nan 8.300 nan 0.000 0.468 31 E N 1.236 121.563 120.200 0.213 0.000 2.313 31 E HA 0.566 4.916 4.350 0.000 0.000 0.272 31 E C -1.433 175.206 176.600 0.065 0.000 1.038 31 E CA -0.800 55.609 56.400 0.014 0.000 0.863 31 E CB 1.696 31.347 29.700 -0.082 0.000 1.060 31 E HN 0.622 nan 8.360 nan 0.000 0.402 32 V N 4.771 124.606 119.914 -0.131 0.000 2.448 32 V HA 0.365 4.485 4.120 0.000 0.000 0.295 32 V C -0.751 175.252 176.094 -0.151 0.000 1.025 32 V CA -0.601 61.685 62.300 -0.023 0.000 0.859 32 V CB 0.802 32.571 31.823 -0.089 0.000 0.988 32 V HN 0.541 nan 8.190 nan 0.000 0.431 33 F N 2.050 122.039 119.950 0.065 0.000 2.483 33 F HA 0.447 4.974 4.527 0.000 0.000 0.329 33 F C 0.552 176.369 175.800 0.029 0.000 1.064 33 F CA -0.630 57.398 58.000 0.045 0.000 0.986 33 F CB 1.183 40.194 39.000 0.019 0.000 1.218 33 F HN 0.462 nan 8.300 nan 0.000 0.484 34 D N 3.696 124.207 120.400 0.186 0.000 2.295 34 D HA 0.137 4.777 4.640 0.000 0.000 0.248 34 D C -1.819 174.494 176.300 0.022 0.000 1.154 34 D CA -2.014 52.038 54.000 0.086 0.000 0.857 34 D CB 1.851 42.682 40.800 0.052 0.000 1.117 34 D HN 0.171 nan 8.370 nan 0.000 0.468 35 P HA -0.081 nan 4.420 nan 0.000 0.225 35 P C 0.882 178.071 177.300 -0.184 0.000 1.148 35 P CA 0.613 63.648 63.100 -0.107 0.000 0.779 35 P CB 0.275 31.891 31.700 -0.140 0.000 0.780 36 A N -0.093 122.645 122.820 -0.136 0.000 2.021 36 A HA 0.022 4.342 4.320 0.000 0.000 0.216 36 A C 1.835 179.344 177.584 -0.125 0.000 1.163 36 A CA 1.830 53.849 52.037 -0.029 0.000 0.676 36 A CB -0.912 18.174 19.000 0.144 0.000 0.818 36 A HN 0.342 nan 8.150 nan 0.000 0.453 37 T N -5.909 108.449 114.554 -0.327 0.000 3.009 37 T HA 0.424 4.774 4.350 0.000 0.000 0.267 37 T C 1.311 175.714 174.700 -0.496 0.000 0.942 37 T CA 0.927 62.727 62.100 -0.499 0.000 0.883 37 T CB 0.333 69.143 68.868 -0.098 0.000 1.192 37 T HN 1.561 nan 8.240 nan 0.000 0.524 38 G N 2.907 111.549 108.800 -0.263 0.000 2.155 38 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 38 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 38 G C -0.111 174.953 174.900 0.274 0.000 0.983 38 G CA 0.490 45.628 45.100 0.064 0.000 0.676 38 G HN 1.037 nan 8.290 nan 0.000 0.528 39 E N 0.024 120.323 120.200 0.165 0.000 2.343 39 E HA 0.588 4.938 4.350 0.000 0.000 0.269 39 E C 0.301 176.962 176.600 0.101 0.000 1.047 39 E CA -0.121 56.370 56.400 0.152 0.000 0.874 39 E CB 1.254 30.996 29.700 0.071 0.000 1.033 39 E HN 0.193 nan 8.360 nan 0.000 0.409 40 S N 0.901 116.594 115.700 -0.011 0.000 2.549 40 S HA 0.181 4.651 4.470 0.000 0.000 0.283 40 S C 0.638 175.164 174.600 -0.123 0.000 1.320 40 S CA 0.086 58.144 58.200 -0.236 0.000 1.058 40 S CB 0.412 63.473 63.200 -0.232 0.000 0.882 40 S HN 0.617 nan 8.310 nan 0.000 0.498 41 L N 3.312 124.465 121.223 -0.117 0.000 2.693 41 L HA 0.681 5.021 4.340 0.000 0.000 0.235 41 L C 1.312 178.182 176.870 0.001 0.000 1.127 41 L CA 0.779 55.598 54.840 -0.035 0.000 0.914 41 L CB -1.599 40.520 42.059 0.099 0.000 1.193 41 L HN 1.279 nan 8.230 nan 0.000 0.502 42 G N -1.012 107.799 108.800 0.018 0.000 2.306 42 G HA2 0.409 4.369 3.960 0.000 0.000 0.262 42 G HA3 0.409 4.369 3.960 0.000 0.000 0.262 42 G C -0.085 174.860 174.900 0.074 0.000 1.263 42 G CA 0.409 45.597 45.100 0.147 0.000 1.088 42 G HN 1.763 nan 8.290 nan 0.000 0.489 43 T N -2.606 112.039 114.554 0.153 0.000 2.901 43 T HA 0.938 5.288 4.350 0.000 0.000 0.293 43 T C -0.154 174.463 174.700 -0.139 0.000 1.084 43 T CA 0.145 62.220 62.100 -0.042 0.000 1.008 43 T CB 1.655 70.507 68.868 -0.027 0.000 1.170 43 T HN 2.251 nan 8.240 nan 0.000 0.509 44 V N -2.394 117.270 119.914 -0.416 0.000 3.102 44 V HA 0.830 4.950 4.120 0.000 0.000 0.312 44 V C -3.159 172.655 176.094 -0.466 0.000 1.135 44 V CA -3.208 58.845 62.300 -0.412 0.000 1.022 44 V CB 1.299 32.818 31.823 -0.507 0.000 1.056 44 V HN 0.769 nan 8.190 nan 0.000 0.436 45 P HA 0.202 nan 4.420 nan 0.000 0.269 45 P C -0.947 176.324 177.300 -0.049 0.000 1.215 45 P CA -0.059 62.981 63.100 -0.100 0.000 0.780 45 P CB 0.382 32.078 31.700 -0.006 0.000 0.898 46 K N 3.383 123.835 120.400 0.087 0.000 2.360 46 K HA 0.305 4.625 4.320 0.000 0.000 0.235 46 K C -0.196 176.489 176.600 0.141 0.000 1.077 46 K CA -0.183 56.252 56.287 0.247 0.000 1.035 46 K CB -0.231 32.438 32.500 0.282 0.000 1.623 46 K HN 0.446 nan 8.250 nan 0.000 0.462 47 M N 0.272 119.947 119.600 0.124 0.000 2.219 47 M HA 0.429 4.909 4.480 0.000 0.000 0.280 47 M C 0.840 177.178 176.300 0.062 0.000 1.189 47 M CA -0.236 55.108 55.300 0.074 0.000 1.010 47 M CB 1.510 34.144 32.600 0.055 0.000 1.422 47 M HN 0.622 nan 8.290 nan 0.000 0.504 48 G N -0.987 107.835 108.800 0.037 0.000 3.000 48 G HA2 0.530 4.490 3.960 0.000 0.000 0.170 48 G HA3 0.530 4.490 3.960 0.000 0.000 0.170 48 G C 0.201 175.108 174.900 0.012 0.000 1.160 48 G CA 0.114 45.229 45.100 0.024 0.000 0.945 48 G HN 0.712 nan 8.290 nan 0.000 0.593 49 A N -0.276 122.547 122.820 0.006 0.000 1.902 49 A HA 0.297 4.617 4.320 0.000 0.000 0.217 49 A C 2.634 180.215 177.584 -0.004 0.000 1.181 49 A CA 3.039 55.076 52.037 -0.001 0.000 0.623 49 A CB -0.944 18.055 19.000 -0.003 0.000 0.818 49 A HN 1.518 nan 8.150 nan 0.000 0.443 50 A N -0.410 122.409 122.820 -0.002 0.000 1.930 50 A HA 0.003 4.323 4.320 0.000 0.000 0.215 50 A C 1.876 179.454 177.584 -0.011 0.000 1.176 50 A CA 1.652 53.685 52.037 -0.006 0.000 0.632 50 A CB -0.329 18.670 19.000 -0.002 0.000 0.819 50 A HN 0.502 nan 8.150 nan 0.000 0.445 51 E N -0.314 119.881 120.200 -0.008 0.000 2.076 51 E HA -0.057 4.293 4.350 0.000 0.000 0.190 51 E C 2.047 178.632 176.600 -0.026 0.000 0.979 51 E CA 1.587 57.977 56.400 -0.017 0.000 0.807 51 E CB -0.629 29.067 29.700 -0.007 0.000 0.761 51 E HN 0.537 nan 8.360 nan 0.000 0.454 52 T N 1.054 115.598 114.554 -0.016 0.000 2.665 52 T HA -0.259 4.091 4.350 0.000 0.000 0.268 52 T C 2.040 176.722 174.700 -0.030 0.000 1.035 52 T CA 1.596 63.683 62.100 -0.021 0.000 1.151 52 T CB -0.550 68.312 68.868 -0.011 0.000 0.862 52 T HN 0.296 nan 8.240 nan 0.000 0.438 53 A N 1.493 124.298 122.820 -0.024 0.000 1.908 53 A HA -0.150 4.170 4.320 0.000 0.000 0.218 53 A C 2.394 179.958 177.584 -0.033 0.000 1.181 53 A CA 1.770 53.791 52.037 -0.026 0.000 0.627 53 A CB -0.605 18.384 19.000 -0.019 0.000 0.818 53 A HN 0.403 nan 8.150 nan 0.000 0.445 54 R N -0.781 119.697 120.500 -0.037 0.000 2.096 54 R HA -0.069 4.271 4.340 0.000 0.000 0.235 54 R C 2.462 178.722 176.300 -0.067 0.000 1.127 54 R CA 1.157 57.228 56.100 -0.047 0.000 0.968 54 R CB -0.378 29.893 30.300 -0.048 0.000 0.861 54 R HN 0.544 nan 8.270 nan 0.000 0.440 55 A N 1.055 123.830 122.820 -0.074 0.000 1.845 55 A HA -0.161 4.159 4.320 0.000 0.000 0.215 55 A C 2.093 179.626 177.584 -0.085 0.000 1.195 55 A CA 1.308 53.286 52.037 -0.098 0.000 0.616 55 A CB -0.563 18.381 19.000 -0.094 0.000 0.832 55 A HN 0.202 nan 8.150 nan 0.000 0.443 56 I N -0.517 120.014 120.570 -0.064 0.000 2.145 56 I HA -0.333 3.837 4.170 0.000 0.000 0.244 56 I C 2.533 178.622 176.117 -0.048 0.000 1.075 56 I CA 2.056 63.321 61.300 -0.058 0.000 1.332 56 I CB -0.448 37.525 38.000 -0.045 0.000 1.033 56 I HN 0.410 nan 8.210 nan 0.000 0.410 57 E N 0.475 120.652 120.200 -0.038 0.000 2.118 57 E HA -0.222 4.128 4.350 0.000 0.000 0.195 57 E C 2.266 178.851 176.600 -0.025 0.000 0.992 57 E CA 1.309 57.694 56.400 -0.024 0.000 0.804 57 E CB -0.145 29.543 29.700 -0.020 0.000 0.741 57 E HN 0.537 nan 8.360 nan 0.000 0.458 58 A N 0.825 123.615 122.820 -0.051 0.000 1.930 58 A HA -0.104 4.216 4.320 0.000 0.000 0.217 58 A C 2.333 179.887 177.584 -0.049 0.000 1.175 58 A CA 1.612 53.612 52.037 -0.062 0.000 0.627 58 A CB -0.655 18.279 19.000 -0.110 0.000 0.815 58 A HN 0.329 nan 8.150 nan 0.000 0.443 59 A N -0.893 121.890 122.820 -0.061 0.000 1.902 59 A HA -0.226 4.094 4.320 0.000 0.000 0.217 59 A C 2.189 179.788 177.584 0.024 0.000 1.181 59 A CA 1.748 53.753 52.037 -0.054 0.000 0.623 59 A CB -0.600 18.342 19.000 -0.097 0.000 0.818 59 A HN 0.632 nan 8.150 nan 0.000 0.443 60 Q N -0.752 119.067 119.800 0.030 0.000 2.170 60 Q HA -0.134 4.206 4.340 0.000 0.000 0.203 60 Q C 2.105 178.191 176.000 0.142 0.000 0.976 60 Q CA 1.402 57.270 55.803 0.108 0.000 0.858 60 Q CB -0.261 28.519 28.738 0.069 0.000 0.907 60 Q HN 0.644 nan 8.270 nan 0.000 0.433 61 A N -0.039 122.828 122.820 0.079 0.000 2.016 61 A HA 0.091 4.411 4.320 0.000 0.000 0.217 61 A C 2.066 179.701 177.584 0.085 0.000 1.162 61 A CA 1.134 53.211 52.037 0.067 0.000 0.662 61 A CB -0.362 18.654 19.000 0.026 0.000 0.812 61 A HN 0.467 nan 8.150 nan 0.000 0.450 62 A N -1.773 121.104 122.820 0.094 0.000 2.021 62 A HA 0.013 4.333 4.320 0.000 0.000 0.216 62 A C 1.813 179.541 177.584 0.239 0.000 1.163 62 A CA 1.097 53.204 52.037 0.116 0.000 0.676 62 A CB -0.710 18.316 19.000 0.043 0.000 0.818 62 A HN 0.748 nan 8.150 nan 0.000 0.453 63 W N 1.366 122.699 121.300 0.056 0.000 2.321 63 W HA -0.264 4.396 4.660 0.000 0.000 0.306 63 W C 2.326 178.921 176.519 0.127 0.000 1.217 63 W CA 1.805 59.215 57.345 0.107 0.000 1.257 63 W CB -0.655 28.849 29.460 0.073 0.000 1.145 63 W HN 0.361 nan 8.180 nan 0.000 0.509 64 A N 0.366 123.206 122.820 0.033 0.000 1.933 64 A HA -0.032 4.288 4.320 0.000 0.000 0.218 64 A C 2.308 179.866 177.584 -0.043 0.000 1.175 64 A CA 2.260 54.211 52.037 -0.143 0.000 0.628 64 A CB -1.555 17.383 19.000 -0.104 0.000 0.814 64 A HN 0.391 nan 8.150 nan 0.000 0.444 65 G N -1.470 107.368 108.800 0.063 0.000 2.453 65 G HA2 -0.289 3.671 3.960 0.000 0.000 0.215 65 G HA3 -0.289 3.671 3.960 0.000 0.000 0.215 65 G C 1.539 176.527 174.900 0.146 0.000 1.201 65 G CA 0.863 46.018 45.100 0.092 0.000 0.784 65 G HN 0.658 nan 8.290 nan 0.000 0.545 66 W N 2.630 123.958 121.300 0.046 0.000 2.325 66 W HA -0.175 4.485 4.660 0.000 0.000 0.299 66 W C 2.709 179.269 176.519 0.069 0.000 1.215 66 W CA 1.759 59.150 57.345 0.076 0.000 1.244 66 W CB 0.089 29.631 29.460 0.136 0.000 1.140 66 W HN 0.351 nan 8.180 nan 0.000 0.523 67 R N -0.042 120.516 120.500 0.097 0.000 2.275 67 R HA -0.064 4.276 4.340 0.000 0.000 0.199 67 R C 2.019 178.239 176.300 -0.134 0.000 0.989 67 R CA 1.155 57.222 56.100 -0.054 0.000 1.016 67 R CB -0.846 29.386 30.300 -0.114 0.000 0.918 67 R HN 0.189 nan 8.270 nan 0.000 0.473 68 M N 1.187 120.717 119.600 -0.117 0.000 2.349 68 M HA 0.066 4.546 4.480 0.000 0.000 0.266 68 M C -0.045 176.181 176.300 -0.122 0.000 1.076 68 M CA 1.047 56.282 55.300 -0.108 0.000 1.126 68 M CB 0.343 32.897 32.600 -0.077 0.000 1.392 68 M HN -0.024 nan 8.290 nan 0.000 0.440 69 K N 1.609 121.907 120.400 -0.171 0.000 2.436 69 K HA 0.036 4.356 4.320 0.000 0.000 0.275 69 K C 0.379 176.849 176.600 -0.216 0.000 0.999 69 K CA 0.250 56.407 56.287 -0.216 0.000 0.980 69 K CB 0.130 32.413 32.500 -0.362 0.000 0.919 69 K HN 0.291 nan 8.250 nan 0.000 0.484 70 T N -0.857 113.600 114.554 -0.162 0.000 2.813 70 T HA 0.200 4.550 4.350 0.000 0.000 0.297 70 T C 1.475 176.081 174.700 -0.156 0.000 1.036 70 T CA -0.309 61.712 62.100 -0.132 0.000 1.044 70 T CB 1.370 70.184 68.868 -0.090 0.000 0.993 70 T HN 0.566 nan 8.240 nan 0.000 0.535 71 A N 1.494 124.244 122.820 -0.116 0.000 1.884 71 A HA -0.179 4.141 4.320 0.000 0.000 0.219 71 A C 2.376 179.906 177.584 -0.090 0.000 1.197 71 A CA 2.359 54.336 52.037 -0.099 0.000 0.637 71 A CB -1.180 17.782 19.000 -0.064 0.000 0.827 71 A HN 0.999 nan 8.150 nan 0.000 0.450 72 K N -0.760 119.596 120.400 -0.073 0.000 2.034 72 K HA -0.247 4.073 4.320 0.000 0.000 0.214 72 K C 2.131 178.695 176.600 -0.059 0.000 1.051 72 K CA 2.079 58.333 56.287 -0.056 0.000 0.931 72 K CB -0.199 32.273 32.500 -0.047 0.000 0.715 72 K HN 0.651 nan 8.250 nan 0.000 0.446 73 E N -0.303 119.845 120.200 -0.086 0.000 2.153 73 E HA -0.160 4.190 4.350 0.000 0.000 0.194 73 E C 2.003 178.523 176.600 -0.134 0.000 0.988 73 E CA 0.962 57.305 56.400 -0.095 0.000 0.811 73 E CB 0.198 29.828 29.700 -0.115 0.000 0.746 73 E HN 0.226 nan 8.360 nan 0.000 0.466 74 R N -0.363 120.006 120.500 -0.217 0.000 2.093 74 R HA 0.004 4.344 4.340 0.000 0.000 0.224 74 R C 2.308 178.593 176.300 -0.024 0.000 1.101 74 R CA 0.799 56.731 56.100 -0.281 0.000 0.979 74 R CB -0.108 29.919 30.300 -0.456 0.000 0.877 74 R HN 0.089 nan 8.270 nan 0.000 0.441 75 A N 1.448 124.260 122.820 -0.012 0.000 1.902 75 A HA -0.120 4.200 4.320 0.000 0.000 0.217 75 A C 2.366 179.996 177.584 0.077 0.000 1.181 75 A CA 1.688 53.750 52.037 0.041 0.000 0.623 75 A CB -0.547 18.453 19.000 -0.001 0.000 0.818 75 A HN 0.373 nan 8.150 nan 0.000 0.443 76 A N -0.265 122.587 122.820 0.053 0.000 1.933 76 A HA -0.079 4.241 4.320 0.000 0.000 0.218 76 A C 2.102 179.761 177.584 0.125 0.000 1.175 76 A CA 1.590 53.671 52.037 0.073 0.000 0.628 76 A CB -0.542 18.484 19.000 0.043 0.000 0.814 76 A HN 0.507 nan 8.150 nan 0.000 0.444 77 I N -0.764 119.896 120.570 0.150 0.000 2.233 77 I HA -0.186 3.984 4.170 0.000 0.000 0.243 77 I C 2.332 178.625 176.117 0.293 0.000 1.093 77 I CA 0.849 62.278 61.300 0.214 0.000 1.380 77 I CB -0.232 37.935 38.000 0.277 0.000 1.067 77 I HN 0.258 nan 8.210 nan 0.000 0.413 78 L N 0.208 121.629 121.223 0.330 0.000 2.046 78 L HA -0.197 4.143 4.340 0.000 0.000 0.208 78 L C 2.719 179.816 176.870 0.378 0.000 1.077 78 L CA 1.276 56.370 54.840 0.425 0.000 0.747 78 L CB -0.490 41.795 42.059 0.376 0.000 0.896 78 L HN 0.174 nan 8.230 nan 0.000 0.432 79 R N 0.100 120.759 120.500 0.264 0.000 2.120 79 R HA -0.139 4.201 4.340 0.000 0.000 0.234 79 R C 2.399 178.897 176.300 0.329 0.000 1.123 79 R CA 1.268 57.522 56.100 0.257 0.000 0.975 79 R CB -0.012 30.379 30.300 0.151 0.000 0.866 79 R HN 0.265 nan 8.270 nan 0.000 0.446 80 R N -1.175 119.487 120.500 0.271 0.000 2.119 80 R HA -0.136 4.204 4.340 0.000 0.000 0.222 80 R C 1.828 178.300 176.300 0.286 0.000 1.088 80 R CA 1.142 57.380 56.100 0.229 0.000 0.984 80 R CB -0.350 30.051 30.300 0.169 0.000 0.884 80 R HN 0.331 nan 8.270 nan 0.000 0.447 81 W N 1.454 122.833 121.300 0.133 0.000 2.379 81 W HA -0.210 4.450 4.660 0.000 0.000 0.307 81 W C 1.827 178.423 176.519 0.130 0.000 1.200 81 W CA 0.730 58.140 57.345 0.109 0.000 1.297 81 W CB -0.874 28.658 29.460 0.121 0.000 1.140 81 W HN -0.019 nan 8.180 nan 0.000 0.507 82 F N 2.206 122.180 119.950 0.039 0.000 2.043 82 F HA -0.312 4.215 4.527 0.000 0.000 0.297 82 F C 2.078 177.864 175.800 -0.024 0.000 1.118 82 F CA 2.793 60.742 58.000 -0.084 0.000 1.202 82 F CB -1.001 37.990 39.000 -0.015 0.000 0.965 82 F HN -0.219 nan 8.300 nan 0.000 0.482 83 D N 0.770 121.068 120.400 -0.171 0.000 2.133 83 D HA -0.232 4.408 4.640 0.000 0.000 0.192 83 D C 2.396 178.568 176.300 -0.214 0.000 1.001 83 D CA 2.073 55.919 54.000 -0.257 0.000 0.844 83 D CB -0.659 40.143 40.800 0.003 0.000 0.944 83 D HN 0.386 nan 8.370 nan 0.000 0.447 84 L N -0.029 121.153 121.223 -0.068 0.000 2.093 84 L HA -0.135 4.205 4.340 0.000 0.000 0.208 84 L C 2.492 179.319 176.870 -0.071 0.000 1.085 84 L CA 0.489 55.312 54.840 -0.028 0.000 0.755 84 L CB -0.233 41.870 42.059 0.074 0.000 0.904 84 L HN -0.034 nan 8.230 nan 0.000 0.435 85 V N -0.246 119.590 119.914 -0.130 0.000 2.407 85 V HA -0.269 3.851 4.120 0.000 0.000 0.248 85 V C 2.407 178.396 176.094 -0.175 0.000 1.055 85 V CA 1.280 63.492 62.300 -0.146 0.000 1.049 85 V CB -0.398 31.288 31.823 -0.228 0.000 0.662 85 V HN 0.275 nan 8.190 nan 0.000 0.455 86 I N 0.844 121.223 120.570 -0.318 0.000 2.142 86 I HA -0.217 3.953 4.170 0.000 0.000 0.240 86 I C 2.783 178.803 176.117 -0.161 0.000 1.078 86 I CA 2.039 63.165 61.300 -0.290 0.000 1.343 86 I CB -1.626 36.074 38.000 -0.500 0.000 1.046 86 I HN 0.318 nan 8.210 nan 0.000 0.405 87 A N 0.656 123.387 122.820 -0.148 0.000 1.908 87 A HA -0.197 4.123 4.320 0.000 0.000 0.218 87 A C 1.870 179.425 177.584 -0.049 0.000 1.181 87 A CA 1.761 53.750 52.037 -0.081 0.000 0.627 87 A CB -0.617 18.344 19.000 -0.065 0.000 0.818 87 A HN 0.482 nan 8.150 nan 0.000 0.445 88 N N -0.072 118.603 118.700 -0.042 0.000 2.279 88 N HA 0.016 4.756 4.740 0.000 0.000 0.226 88 N C 1.402 176.910 175.510 -0.003 0.000 1.126 88 N CA 0.753 53.796 53.050 -0.011 0.000 0.846 88 N CB 0.235 38.726 38.487 0.008 0.000 1.050 88 N HN 0.629 nan 8.380 nan 0.000 0.502 89 S N -0.134 115.555 115.700 -0.019 0.000 2.400 89 S HA -0.126 4.344 4.470 0.000 0.000 0.232 89 S C 1.403 176.012 174.600 0.015 0.000 1.025 89 S CA 0.959 59.157 58.200 -0.004 0.000 0.993 89 S CB 0.077 63.267 63.200 -0.016 0.000 0.808 89 S HN 0.180 nan 8.310 nan 0.000 0.478 90 D N 1.533 121.940 120.400 0.011 0.000 2.149 90 D HA -0.054 4.586 4.640 0.000 0.000 0.201 90 D C 1.442 177.756 176.300 0.022 0.000 0.972 90 D CA 1.124 55.134 54.000 0.017 0.000 0.835 90 D CB -0.224 40.583 40.800 0.011 0.000 0.966 90 D HN 0.421 nan 8.370 nan 0.000 0.476 91 D N 0.542 120.955 120.400 0.022 0.000 2.103 91 D HA -0.055 4.585 4.640 0.000 0.000 0.199 91 D C 2.445 178.768 176.300 0.039 0.000 0.978 91 D CA 0.323 54.339 54.000 0.026 0.000 0.829 91 D CB -0.074 40.743 40.800 0.027 0.000 0.981 91 D HN 0.239 nan 8.370 nan 0.000 0.464 92 L N 0.948 122.201 121.223 0.050 0.000 2.083 92 L HA -0.146 4.194 4.340 0.000 0.000 0.209 92 L C 2.609 179.522 176.870 0.072 0.000 1.083 92 L CA 1.030 55.912 54.840 0.070 0.000 0.752 92 L CB -0.470 41.634 42.059 0.075 0.000 0.899 92 L HN -0.039 nan 8.230 nan 0.000 0.433 93 A N -0.155 122.701 122.820 0.060 0.000 1.933 93 A HA -0.191 4.129 4.320 0.000 0.000 0.218 93 A C 2.197 179.815 177.584 0.056 0.000 1.175 93 A CA 1.423 53.498 52.037 0.063 0.000 0.628 93 A CB -0.515 18.518 19.000 0.055 0.000 0.814 93 A HN 0.296 nan 8.150 nan 0.000 0.444 94 L N -0.171 121.079 121.223 0.044 0.000 2.109 94 L HA 0.028 4.368 4.340 0.000 0.000 0.207 94 L C 2.189 179.080 176.870 0.035 0.000 1.086 94 L CA 1.289 56.149 54.840 0.034 0.000 0.760 94 L CB -0.532 41.539 42.059 0.020 0.000 0.910 94 L HN 0.428 nan 8.230 nan 0.000 0.437 95 I N -1.270 119.324 120.570 0.040 0.000 2.179 95 I HA -0.340 3.830 4.170 0.000 0.000 0.242 95 I C 2.442 178.617 176.117 0.098 0.000 1.088 95 I CA 1.397 62.727 61.300 0.050 0.000 1.357 95 I CB -0.300 37.739 38.000 0.065 0.000 1.051 95 I HN 0.255 nan 8.210 nan 0.000 0.409 96 L N 0.195 121.478 121.223 0.100 0.000 1.994 96 L HA -0.241 4.099 4.340 0.000 0.000 0.208 96 L C 2.632 179.554 176.870 0.086 0.000 1.071 96 L CA 1.851 56.755 54.840 0.106 0.000 0.745 96 L CB -0.433 41.687 42.059 0.102 0.000 0.892 96 L HN 0.217 nan 8.230 nan 0.000 0.431 97 T N -0.955 113.640 114.554 0.069 0.000 2.737 97 T HA -0.201 4.149 4.350 0.000 0.000 0.269 97 T C 1.666 176.401 174.700 0.058 0.000 1.040 97 T CA 1.979 64.113 62.100 0.058 0.000 1.142 97 T CB -0.416 68.483 68.868 0.053 0.000 0.861 97 T HN 0.499 nan 8.240 nan 0.000 0.456 98 T N 2.197 116.788 114.554 0.063 0.000 2.770 98 T HA -0.082 4.268 4.350 0.000 0.000 0.263 98 T C 1.994 176.744 174.700 0.083 0.000 1.039 98 T CA 1.376 63.512 62.100 0.060 0.000 1.142 98 T CB -0.237 68.655 68.868 0.040 0.000 0.868 98 T HN 0.749 nan 8.240 nan 0.000 0.435 99 E N 0.364 120.641 120.200 0.127 0.000 2.371 99 E HA -0.009 4.341 4.350 0.000 0.000 0.194 99 E C 2.141 178.790 176.600 0.082 0.000 1.012 99 E CA 0.506 56.996 56.400 0.150 0.000 0.860 99 E CB 0.040 29.889 29.700 0.249 0.000 0.811 99 E HN 0.273 nan 8.360 nan 0.000 0.502 100 Q N -0.303 119.539 119.800 0.070 0.000 2.422 100 Q HA 0.115 4.455 4.340 0.000 0.000 0.255 100 Q C 1.249 177.265 176.000 0.027 0.000 0.864 100 Q CA 1.263 57.103 55.803 0.063 0.000 0.968 100 Q CB 1.421 30.210 28.738 0.086 0.000 1.130 100 Q HN 0.429 nan 8.270 nan 0.000 0.556 101 G N 1.773 110.581 108.800 0.014 0.000 2.376 101 G HA2 -0.262 3.698 3.960 0.000 0.000 0.208 101 G HA3 -0.262 3.698 3.960 0.000 0.000 0.208 101 G C 0.032 174.941 174.900 0.015 0.000 1.032 101 G CA 0.099 45.189 45.100 -0.018 0.000 0.641 101 G HN 0.364 nan 8.290 nan 0.000 0.503 102 K N 2.516 122.928 120.400 0.021 0.000 2.436 102 K HA 0.465 4.785 4.320 0.000 0.000 0.275 102 K C -2.269 174.359 176.600 0.046 0.000 0.999 102 K CA -0.838 55.466 56.287 0.028 0.000 0.980 102 K CB 0.648 33.146 32.500 -0.004 0.000 0.919 102 K HN 0.202 nan 8.250 nan 0.000 0.484 103 P HA -0.142 nan 4.420 nan 0.000 0.267 103 P C 0.814 178.145 177.300 0.052 0.000 1.195 103 P CA 0.074 63.209 63.100 0.058 0.000 0.773 103 P CB 0.522 32.256 31.700 0.057 0.000 0.837 104 L N 1.813 123.065 121.223 0.049 0.000 2.079 104 L HA -0.276 4.064 4.340 0.000 0.000 0.210 104 L C 2.466 179.365 176.870 0.049 0.000 1.081 104 L CA 2.202 57.070 54.840 0.047 0.000 0.752 104 L CB -0.855 41.228 42.059 0.040 0.000 0.896 104 L HN 0.429 nan 8.230 nan 0.000 0.433 105 A N -0.537 122.310 122.820 0.046 0.000 1.908 105 A HA -0.251 4.069 4.320 0.000 0.000 0.218 105 A C 2.125 179.744 177.584 0.058 0.000 1.181 105 A CA 1.765 53.830 52.037 0.047 0.000 0.627 105 A CB -0.434 18.590 19.000 0.040 0.000 0.818 105 A HN 0.465 nan 8.150 nan 0.000 0.445 106 E N -0.478 119.759 120.200 0.061 0.000 2.051 106 E HA -0.126 4.224 4.350 0.000 0.000 0.192 106 E C 2.430 179.087 176.600 0.095 0.000 0.991 106 E CA 0.922 57.367 56.400 0.075 0.000 0.799 106 E CB -0.291 29.445 29.700 0.059 0.000 0.748 106 E HN 0.605 nan 8.360 nan 0.000 0.449 107 A N 1.947 124.814 122.820 0.079 0.000 1.883 107 A HA -0.246 4.074 4.320 0.000 0.000 0.217 107 A C 1.993 179.640 177.584 0.105 0.000 1.186 107 A CA 1.614 53.707 52.037 0.092 0.000 0.624 107 A CB -0.404 18.640 19.000 0.073 0.000 0.822 107 A HN 0.067 nan 8.150 nan 0.000 0.444 108 K N -0.922 119.527 120.400 0.083 0.000 2.103 108 K HA -0.139 4.181 4.320 0.000 0.000 0.207 108 K C 2.105 178.761 176.600 0.093 0.000 1.048 108 K CA 1.139 57.471 56.287 0.076 0.000 0.930 108 K CB -0.495 32.038 32.500 0.055 0.000 0.716 108 K HN 0.511 nan 8.250 nan 0.000 0.444 109 G N 1.463 110.325 108.800 0.102 0.000 2.418 109 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 109 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 109 G C 1.383 176.396 174.900 0.188 0.000 1.158 109 G CA 0.755 45.924 45.100 0.114 0.000 0.771 109 G HN 0.410 nan 8.290 nan 0.000 0.545 110 E N -0.016 120.332 120.200 0.247 0.000 2.077 110 E HA -0.127 4.223 4.350 0.000 0.000 0.193 110 E C 2.505 179.273 176.600 0.280 0.000 0.989 110 E CA 0.690 57.316 56.400 0.376 0.000 0.800 110 E CB -0.072 29.880 29.700 0.420 0.000 0.746 110 E HN 0.302 nan 8.360 nan 0.000 0.452 111 I N 1.518 122.196 120.570 0.180 0.000 2.099 111 I HA -0.278 3.892 4.170 0.000 0.000 0.239 111 I C 2.642 178.823 176.117 0.106 0.000 1.066 111 I CA 1.575 62.944 61.300 0.115 0.000 1.324 111 I CB -1.800 36.244 38.000 0.073 0.000 1.037 111 I HN 0.177 nan 8.210 nan 0.000 0.401 112 A N 0.080 122.969 122.820 0.115 0.000 1.908 112 A HA -0.292 4.028 4.320 0.000 0.000 0.218 112 A C 2.384 180.061 177.584 0.155 0.000 1.181 112 A CA 1.718 53.823 52.037 0.113 0.000 0.627 112 A CB -1.243 17.814 19.000 0.095 0.000 0.818 112 A HN 0.490 nan 8.150 nan 0.000 0.445 113 Y N 0.821 121.140 120.300 0.030 0.000 2.114 113 Y HA -0.194 4.356 4.550 0.000 0.000 0.282 113 Y C 2.664 178.616 175.900 0.086 0.000 1.165 113 Y CA 1.245 59.343 58.100 -0.002 0.000 1.148 113 Y CB -0.879 37.594 38.460 0.020 0.000 0.972 113 Y HN 0.309 nan 8.280 nan 0.000 0.504 114 A N 0.204 123.066 122.820 0.070 0.000 1.930 114 A HA -0.018 4.302 4.320 0.000 0.000 0.217 114 A C 2.475 180.085 177.584 0.042 0.000 1.175 114 A CA 1.842 53.892 52.037 0.022 0.000 0.627 114 A CB -1.416 17.592 19.000 0.013 0.000 0.815 114 A HN 0.581 nan 8.150 nan 0.000 0.443 115 A N 0.463 123.321 122.820 0.064 0.000 1.898 115 A HA -0.081 4.239 4.320 0.000 0.000 0.216 115 A C 2.483 180.217 177.584 0.250 0.000 1.181 115 A CA 2.227 54.361 52.037 0.161 0.000 0.620 115 A CB -0.984 18.113 19.000 0.162 0.000 0.819 115 A HN 0.869 nan 8.150 nan 0.000 0.442 116 S N -0.668 115.102 115.700 0.117 0.000 2.368 116 S HA -0.172 4.298 4.470 0.000 0.000 0.225 116 S C 1.691 176.246 174.600 -0.075 0.000 1.030 116 S CA 1.453 59.636 58.200 -0.028 0.000 0.999 116 S CB -0.818 62.304 63.200 -0.129 0.000 0.844 116 S HN 0.344 nan 8.310 nan 0.000 0.459 117 F N 2.072 121.986 119.950 -0.060 0.000 2.126 117 F HA 0.009 4.536 4.527 0.000 0.000 0.299 117 F C 2.213 178.104 175.800 0.151 0.000 1.096 117 F CA 0.668 58.667 58.000 -0.002 0.000 1.255 117 F CB -0.610 38.347 39.000 -0.072 0.000 0.997 117 F HN 0.179 nan 8.300 nan 0.000 0.479 118 I N -0.597 120.115 120.570 0.237 0.000 2.163 118 I HA -0.268 3.902 4.170 0.000 0.000 0.240 118 I C 2.488 178.666 176.117 0.102 0.000 1.081 118 I CA 1.532 62.927 61.300 0.159 0.000 1.353 118 I CB -0.684 37.282 38.000 -0.057 0.000 1.054 118 I HN 0.128 nan 8.210 nan 0.000 0.407 119 E N 1.107 121.240 120.200 -0.112 0.000 2.048 119 E HA -0.313 4.037 4.350 0.000 0.000 0.202 119 E C 2.167 178.699 176.600 -0.113 0.000 1.021 119 E CA 2.149 58.326 56.400 -0.372 0.000 0.825 119 E CB -0.346 28.867 29.700 -0.812 0.000 0.756 119 E HN 0.596 nan 8.360 nan 0.000 0.454 120 W N 0.176 121.333 121.300 -0.237 0.000 2.317 120 W HA -0.277 4.383 4.660 0.000 0.000 0.318 120 W C 1.778 178.168 176.519 -0.216 0.000 1.227 120 W CA 1.359 58.540 57.345 -0.273 0.000 1.269 120 W CB -0.512 28.703 29.460 -0.407 0.000 1.155 120 W HN 0.151 nan 8.180 nan 0.000 0.484 121 F N 0.833 120.824 119.950 0.068 0.000 2.325 121 F HA -0.034 4.493 4.527 0.000 0.000 0.299 121 F C 2.677 178.439 175.800 -0.063 0.000 1.090 121 F CA 1.643 59.631 58.000 -0.019 0.000 1.392 121 F CB -1.344 37.720 39.000 0.107 0.000 1.053 121 F HN -0.097 nan 8.300 nan 0.000 0.521 122 A N 0.095 122.990 122.820 0.125 0.000 1.972 122 A HA -0.196 4.124 4.320 0.000 0.000 0.219 122 A C 2.094 179.646 177.584 -0.052 0.000 1.169 122 A CA 1.801 53.872 52.037 0.057 0.000 0.635 122 A CB -0.607 18.423 19.000 0.051 0.000 0.810 122 A HN 0.473 nan 8.150 nan 0.000 0.446 123 E N -0.599 119.498 120.200 -0.171 0.000 2.158 123 E HA -0.099 4.251 4.350 0.000 0.000 0.191 123 E C 1.672 178.099 176.600 -0.288 0.000 0.982 123 E CA 0.689 56.935 56.400 -0.258 0.000 0.823 123 E CB -0.106 29.365 29.700 -0.383 0.000 0.766 123 E HN 0.552 nan 8.360 nan 0.000 0.468 124 E N 0.719 120.729 120.200 -0.318 0.000 2.152 124 E HA -0.069 4.281 4.350 0.000 0.000 0.192 124 E C 2.230 178.800 176.600 -0.050 0.000 0.983 124 E CA 0.749 57.013 56.400 -0.228 0.000 0.818 124 E CB -0.182 29.413 29.700 -0.174 0.000 0.758 124 E HN 0.327 nan 8.360 nan 0.000 0.467 125 G N 1.944 110.748 108.800 0.005 0.000 2.479 125 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 125 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 125 G C 1.265 176.156 174.900 -0.014 0.000 1.115 125 G CA 0.560 45.674 45.100 0.023 0.000 0.757 125 G HN 0.244 nan 8.290 nan 0.000 0.560 126 K N -0.334 120.038 120.400 -0.047 0.000 2.446 126 K HA 0.307 4.627 4.320 0.000 0.000 0.203 126 K C 1.447 178.013 176.600 -0.057 0.000 1.027 126 K CA -0.144 56.111 56.287 -0.053 0.000 1.166 126 K CB 0.595 33.056 32.500 -0.064 0.000 0.869 126 K HN 0.133 nan 8.250 nan 0.000 0.504 127 R N 0.263 120.731 120.500 -0.054 0.000 2.517 127 R HA 0.138 4.478 4.340 0.000 0.000 0.265 127 R C -0.177 176.108 176.300 -0.025 0.000 0.921 127 R CA -0.148 55.916 56.100 -0.060 0.000 1.054 127 R CB 1.015 31.251 30.300 -0.106 0.000 1.340 127 R HN -0.107 nan 8.270 nan 0.000 0.551 128 V N 2.354 122.272 119.914 0.007 0.000 2.486 128 V HA 0.067 4.187 4.120 0.000 0.000 0.290 128 V C 0.148 176.257 176.094 0.025 0.000 0.991 128 V CA 0.437 62.760 62.300 0.039 0.000 1.142 128 V CB 0.417 32.277 31.823 0.061 0.000 0.926 128 V HN 0.231 nan 8.190 nan 0.000 0.472 129 A N 4.917 127.753 122.820 0.026 0.000 2.374 129 A HA 0.836 5.156 4.320 0.000 0.000 0.305 129 A C 0.303 177.905 177.584 0.031 0.000 1.053 129 A CA 0.022 52.069 52.037 0.016 0.000 0.726 129 A CB 1.540 20.536 19.000 -0.006 0.000 1.229 129 A HN 0.903 nan 8.150 nan 0.000 0.431 130 G N 0.747 109.566 108.800 0.033 0.000 2.531 130 G HA2 0.611 4.571 3.960 0.000 0.000 0.281 130 G HA3 0.611 4.571 3.960 0.000 0.000 0.281 130 G C -0.703 174.215 174.900 0.031 0.000 1.382 130 G CA 0.013 45.137 45.100 0.041 0.000 1.045 130 G HN 0.881 nan 8.290 nan 0.000 0.533 131 D N -2.835 117.588 120.400 0.038 0.000 2.626 131 D HA 0.501 5.141 4.640 0.000 0.000 0.278 131 D C -0.772 175.551 176.300 0.039 0.000 1.211 131 D CA -0.672 53.346 54.000 0.030 0.000 0.903 131 D CB 1.256 42.070 40.800 0.023 0.000 1.408 131 D HN 0.512 nan 8.370 nan 0.000 0.454 132 T N -1.076 113.497 114.554 0.031 0.000 2.842 132 T HA 0.629 4.979 4.350 0.000 0.000 0.308 132 T C -0.267 174.453 174.700 0.033 0.000 1.041 132 T CA -0.815 61.306 62.100 0.036 0.000 0.964 132 T CB -0.134 68.749 68.868 0.026 0.000 0.972 132 T HN 0.344 nan 8.240 nan 0.000 0.460 133 L N 3.772 125.020 121.223 0.042 0.000 2.360 133 L HA 0.583 4.923 4.340 0.000 0.000 0.271 133 L C -2.138 174.750 176.870 0.030 0.000 1.057 133 L CA -2.567 52.291 54.840 0.030 0.000 0.803 133 L CB 0.698 42.770 42.059 0.022 0.000 1.207 133 L HN 0.394 nan 8.230 nan 0.000 0.445 134 P HA 0.112 nan 4.420 nan 0.000 0.276 134 P C -0.514 176.799 177.300 0.022 0.000 1.230 134 P CA -0.342 62.769 63.100 0.019 0.000 0.776 134 P CB 0.946 32.654 31.700 0.013 0.000 0.888 135 T N 2.760 117.329 114.554 0.026 0.000 2.889 135 T HA 0.356 4.706 4.350 0.000 0.000 0.291 135 T C -1.304 173.410 174.700 0.023 0.000 0.995 135 T CA -1.544 60.575 62.100 0.032 0.000 1.092 135 T CB 0.031 68.922 68.868 0.038 0.000 0.954 135 T HN 0.303 nan 8.240 nan 0.000 0.506 136 P HA 0.299 nan 4.420 nan 0.000 0.261 136 P C -0.579 176.732 177.300 0.020 0.000 1.268 136 P CA 0.088 63.198 63.100 0.017 0.000 0.833 136 P CB 0.297 32.004 31.700 0.012 0.000 1.231 137 D N -0.376 120.040 120.400 0.026 0.000 2.593 137 D HA 0.459 5.099 4.640 0.000 0.000 0.251 137 D C 0.931 177.244 176.300 0.022 0.000 1.140 137 D CA -0.705 53.309 54.000 0.023 0.000 0.855 137 D CB 1.955 42.772 40.800 0.028 0.000 1.267 137 D HN -0.149 nan 8.370 nan 0.000 0.532 138 A N 3.963 126.792 122.820 0.016 0.000 2.019 138 A HA -0.167 4.153 4.320 0.000 0.000 0.219 138 A C 1.509 179.101 177.584 0.013 0.000 1.164 138 A CA 0.971 53.016 52.037 0.014 0.000 0.644 138 A CB -0.275 18.731 19.000 0.010 0.000 0.805 138 A HN 0.614 nan 8.150 nan 0.000 0.449 139 N N -0.132 118.577 118.700 0.014 0.000 2.461 139 N HA 0.065 4.805 4.740 0.000 0.000 0.188 139 N C -0.240 175.278 175.510 0.013 0.000 1.134 139 N CA 0.639 53.696 53.050 0.011 0.000 0.878 139 N CB 0.158 38.651 38.487 0.010 0.000 0.972 139 N HN 0.551 nan 8.380 nan 0.000 0.456 140 K N -0.232 120.180 120.400 0.020 0.000 2.508 140 K HA 0.453 4.773 4.320 0.000 0.000 0.260 140 K C -0.784 175.836 176.600 0.033 0.000 0.949 140 K CA -0.739 55.563 56.287 0.026 0.000 0.834 140 K CB 2.086 34.609 32.500 0.039 0.000 1.365 140 K HN -0.298 nan 8.250 nan 0.000 0.437 141 R N 2.299 122.818 120.500 0.033 0.000 2.629 141 R HA 0.350 4.690 4.340 0.000 0.000 0.275 141 R C -1.201 175.131 176.300 0.054 0.000 1.719 141 R CA -0.369 55.752 56.100 0.036 0.000 1.472 141 R CB -0.096 30.214 30.300 0.017 0.000 1.237 141 R HN 0.592 nan 8.270 nan 0.000 0.589 142 I N 2.884 123.519 120.570 0.108 0.000 2.845 142 I HA -0.028 4.142 4.170 0.000 0.000 0.290 142 I C -0.103 176.091 176.117 0.130 0.000 1.202 142 I CA 0.538 61.954 61.300 0.194 0.000 1.406 142 I CB 0.198 38.331 38.000 0.221 0.000 1.383 142 I HN 0.044 nan 8.210 nan 0.000 0.549 143 V N 7.644 127.626 119.914 0.114 0.000 2.588 143 V HA 0.392 4.512 4.120 0.000 0.000 0.304 143 V C -0.113 176.053 176.094 0.120 0.000 1.042 143 V CA -0.687 61.662 62.300 0.082 0.000 0.877 143 V CB 2.140 33.981 31.823 0.030 0.000 0.996 143 V HN 0.362 nan 8.190 nan 0.000 0.425 144 V N 5.665 125.648 119.914 0.115 0.000 2.409 144 V HA 0.613 4.733 4.120 0.000 0.000 0.291 144 V C -0.135 176.006 176.094 0.078 0.000 1.020 144 V CA -0.486 61.889 62.300 0.126 0.000 0.848 144 V CB 1.882 33.780 31.823 0.125 0.000 0.990 144 V HN 0.748 nan 8.190 nan 0.000 0.430 145 V N 2.630 122.588 119.914 0.072 0.000 3.019 145 V HA 0.734 4.854 4.120 0.000 0.000 0.317 145 V C -0.535 175.597 176.094 0.063 0.000 1.094 145 V CA -1.108 61.224 62.300 0.054 0.000 1.000 145 V CB 2.055 33.899 31.823 0.035 0.000 1.060 145 V HN 0.757 nan 8.190 nan 0.000 0.443 146 K N 1.047 121.483 120.400 0.059 0.000 2.324 146 K HA 0.739 5.059 4.320 0.000 0.000 0.253 146 K C -1.104 175.542 176.600 0.078 0.000 0.932 146 K CA -0.528 55.803 56.287 0.074 0.000 0.799 146 K CB 2.375 34.920 32.500 0.076 0.000 1.154 146 K HN 0.896 nan 8.250 nan 0.000 0.425 147 E N 2.127 122.388 120.200 0.102 0.000 2.383 147 E HA 0.306 4.656 4.350 0.000 0.000 0.275 147 E C -2.692 174.021 176.600 0.187 0.000 0.918 147 E CA -2.324 54.151 56.400 0.125 0.000 0.764 147 E CB 2.198 31.964 29.700 0.110 0.000 1.252 147 E HN 0.294 nan 8.360 nan 0.000 0.449 148 P HA -0.022 nan 4.420 nan 0.000 0.265 148 P C 0.288 177.806 177.300 0.364 0.000 1.187 148 P CA 0.380 63.693 63.100 0.355 0.000 0.766 148 P CB 0.916 32.966 31.700 0.582 0.000 0.820 149 I N 0.994 121.670 120.570 0.176 0.000 2.277 149 I HA 0.060 4.230 4.170 0.000 0.000 0.243 149 I C 1.060 177.089 176.117 -0.146 0.000 1.094 149 I CA 1.924 63.261 61.300 0.062 0.000 1.393 149 I CB -0.248 37.751 38.000 -0.002 0.000 1.078 149 I HN 0.690 nan 8.210 nan 0.000 0.417 150 G N -0.775 107.690 108.800 -0.558 0.000 2.332 150 G HA2 0.004 3.964 3.960 0.000 0.000 0.265 150 G HA3 0.004 3.964 3.960 0.000 0.000 0.265 150 G C -1.113 173.266 174.900 -0.869 0.000 1.329 150 G CA -0.303 44.008 45.100 -1.315 0.000 0.949 150 G HN -0.050 nan 8.290 nan 0.000 0.476 151 V N 0.583 120.109 119.914 -0.648 0.000 2.493 151 V HA 0.308 4.428 4.120 0.000 0.000 0.292 151 V C 0.858 176.814 176.094 -0.229 0.000 1.016 151 V CA 0.082 62.164 62.300 -0.365 0.000 1.097 151 V CB -0.107 31.581 31.823 -0.224 0.000 0.947 151 V HN 0.824 nan 8.190 nan 0.000 0.479 152 C N 4.267 123.470 119.300 -0.162 0.000 2.345 152 C HA 0.987 5.447 4.460 0.000 0.000 0.370 152 C C 0.580 175.541 174.990 -0.049 0.000 1.209 152 C CA -0.349 58.629 59.018 -0.068 0.000 2.133 152 C CB 1.267 29.029 27.740 0.037 0.000 2.293 152 C HN 1.056 nan 8.230 nan 0.000 0.544 153 A N 0.216 123.027 122.820 -0.014 0.000 2.587 153 A HA 0.950 5.270 4.320 0.000 0.000 0.293 153 A C -1.378 176.226 177.584 0.034 0.000 1.087 153 A CA -0.139 51.897 52.037 -0.001 0.000 0.692 153 A CB 1.192 20.186 19.000 -0.011 0.000 1.291 153 A HN 1.846 nan 8.150 nan 0.000 0.407 154 A N 0.933 123.779 122.820 0.044 0.000 2.465 154 A HA 0.667 4.987 4.320 0.000 0.000 0.292 154 A C -1.263 176.368 177.584 0.079 0.000 1.041 154 A CA -0.197 51.879 52.037 0.065 0.000 0.718 154 A CB 0.609 19.641 19.000 0.053 0.000 1.266 154 A HN 0.791 nan 8.150 nan 0.000 0.403 155 I N 2.888 123.536 120.570 0.130 0.000 2.339 155 I HA 0.472 4.642 4.170 0.000 0.000 0.290 155 I C 0.475 176.633 176.117 0.069 0.000 0.994 155 I CA -0.294 61.105 61.300 0.165 0.000 1.191 155 I CB 2.202 40.402 38.000 0.332 0.000 1.343 155 I HN 0.764 nan 8.210 nan 0.000 0.458 156 T N 4.185 118.760 114.554 0.035 0.000 2.912 156 T HA 0.683 5.033 4.350 0.000 0.000 0.288 156 T C -2.628 172.056 174.700 -0.026 0.000 1.030 156 T CA -1.896 60.182 62.100 -0.036 0.000 1.020 156 T CB 2.277 71.143 68.868 -0.004 0.000 1.056 156 T HN 0.262 nan 8.240 nan 0.000 0.480 157 P HA 0.381 nan 4.420 nan 0.000 0.325 157 P C 0.383 177.676 177.300 -0.013 0.000 1.298 157 P CA -0.756 62.285 63.100 -0.098 0.000 0.771 157 P CB 1.095 32.604 31.700 -0.317 0.000 1.389 158 W N -0.273 121.002 121.300 -0.042 0.000 3.058 158 W HA 0.106 4.766 4.660 0.000 0.000 0.306 158 W C 0.878 177.365 176.519 -0.054 0.000 1.188 158 W CA 0.052 57.372 57.345 -0.042 0.000 1.651 158 W CB -1.604 27.816 29.460 -0.068 0.000 1.051 158 W HN 0.147 nan 8.180 nan 0.000 0.592 159 N N 1.843 120.183 118.700 -0.600 0.000 2.188 159 N HA -0.175 4.565 4.740 0.000 0.000 0.184 159 N C -0.238 174.999 175.510 -0.455 0.000 1.018 159 N CA 0.962 53.672 53.050 -0.568 0.000 0.858 159 N CB -0.941 37.190 38.487 -0.592 0.000 0.989 159 N HN 0.073 nan 8.380 nan 0.000 0.426 160 F N 0.371 120.273 119.950 -0.080 0.000 2.686 160 F HA 0.393 4.920 4.527 0.000 0.000 0.365 160 F C -1.771 174.040 175.800 0.018 0.000 1.196 160 F CA -2.154 55.851 58.000 0.009 0.000 1.198 160 F CB 2.199 41.215 39.000 0.026 0.000 1.454 160 F HN -0.203 nan 8.300 nan 0.000 0.539 161 P HA -0.244 nan 4.420 nan 0.000 0.217 161 P C 1.231 178.612 177.300 0.136 0.000 1.151 161 P CA 1.930 65.112 63.100 0.137 0.000 0.849 161 P CB 0.425 32.205 31.700 0.133 0.000 0.787 162 A N -1.059 121.854 122.820 0.156 0.000 1.944 162 A HA 0.357 4.677 4.320 0.000 0.000 0.207 162 A C 2.237 179.869 177.584 0.080 0.000 1.265 162 A CA 0.890 53.003 52.037 0.127 0.000 0.712 162 A CB -1.251 17.828 19.000 0.131 0.000 0.915 162 A HN 0.104 nan 8.150 nan 0.000 0.470 163 A N -0.075 122.814 122.820 0.115 0.000 1.892 163 A HA -0.215 4.105 4.320 0.000 0.000 0.218 163 A C 2.172 179.637 177.584 -0.198 0.000 1.188 163 A CA 2.223 54.233 52.037 -0.044 0.000 0.631 163 A CB -0.601 18.402 19.000 0.005 0.000 0.822 163 A HN 0.411 nan 8.150 nan 0.000 0.447 164 M N -1.259 118.284 119.600 -0.095 0.000 2.159 164 M HA -0.107 4.373 4.480 0.000 0.000 0.263 164 M C 2.120 178.344 176.300 -0.128 0.000 1.063 164 M CA 1.328 56.538 55.300 -0.150 0.000 1.110 164 M CB -1.235 31.327 32.600 -0.063 0.000 1.374 164 M HN 0.370 nan 8.290 nan 0.000 0.411 165 I N 0.595 121.142 120.570 -0.039 0.000 2.163 165 I HA -0.179 3.991 4.170 0.000 0.000 0.240 165 I C 2.633 178.750 176.117 0.000 0.000 1.081 165 I CA 1.501 62.812 61.300 0.018 0.000 1.353 165 I CB -0.885 37.175 38.000 0.100 0.000 1.054 165 I HN 0.218 nan 8.210 nan 0.000 0.407 166 A N 0.023 122.816 122.820 -0.046 0.000 1.948 166 A HA -0.263 4.057 4.320 0.000 0.000 0.220 166 A C 2.444 179.910 177.584 -0.197 0.000 1.177 166 A CA 1.811 53.788 52.037 -0.101 0.000 0.636 166 A CB -0.707 18.219 19.000 -0.124 0.000 0.815 166 A HN 0.349 nan 8.150 nan 0.000 0.449 167 R N -1.041 119.207 120.500 -0.420 0.000 2.237 167 R HA -0.040 4.300 4.340 0.000 0.000 0.219 167 R C 1.558 177.645 176.300 -0.355 0.000 1.080 167 R CA 1.471 57.162 56.100 -0.681 0.000 0.995 167 R CB -0.029 29.777 30.300 -0.822 0.000 0.875 167 R HN 0.553 nan 8.270 nan 0.000 0.462 168 K N -1.503 118.767 120.400 -0.218 0.000 2.462 168 K HA 0.115 4.435 4.320 0.000 0.000 0.201 168 K C 1.706 178.199 176.600 -0.178 0.000 1.268 168 K CA 0.084 56.284 56.287 -0.145 0.000 0.933 168 K CB 0.627 33.103 32.500 -0.039 0.000 1.162 168 K HN -0.110 nan 8.250 nan 0.000 0.527 169 V N 1.453 121.321 119.914 -0.077 0.000 2.270 169 V HA -0.150 3.970 4.120 0.000 0.000 0.245 169 V C 2.324 178.389 176.094 -0.047 0.000 1.043 169 V CA 2.344 64.636 62.300 -0.012 0.000 1.014 169 V CB -1.003 30.929 31.823 0.182 0.000 0.645 169 V HN 0.477 nan 8.190 nan 0.000 0.447 170 G N 1.725 110.539 108.800 0.023 0.000 2.719 170 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 170 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 170 G C 0.082 174.811 174.900 -0.285 0.000 1.234 170 G CA 1.620 46.743 45.100 0.038 0.000 0.788 170 G HN 0.557 nan 8.290 nan 0.000 0.619 171 P HA -0.029 nan 4.420 nan 0.000 0.217 171 P C 2.083 178.853 177.300 -0.883 0.000 1.150 171 P CA 2.108 64.442 63.100 -1.275 0.000 0.832 171 P CB -0.251 30.352 31.700 -1.827 0.000 0.787 172 A N 0.070 122.317 122.820 -0.955 0.000 1.865 172 A HA -0.178 4.142 4.320 0.000 0.000 0.217 172 A C 2.273 179.793 177.584 -0.107 0.000 1.191 172 A CA 1.777 53.495 52.037 -0.532 0.000 0.623 172 A CB -1.666 17.162 19.000 -0.288 0.000 0.826 172 A HN 0.087 nan 8.150 nan 0.000 0.444 173 L N -0.413 120.798 121.223 -0.020 0.000 2.056 173 L HA -0.089 4.251 4.340 0.000 0.000 0.207 173 L C 3.022 180.178 176.870 0.476 0.000 1.078 173 L CA 1.833 56.856 54.840 0.306 0.000 0.749 173 L CB -0.894 41.293 42.059 0.213 0.000 0.901 173 L HN 0.401 nan 8.230 nan 0.000 0.433 174 A N -0.532 122.411 122.820 0.206 0.000 1.908 174 A HA -0.185 4.135 4.320 0.000 0.000 0.218 174 A C 2.294 179.951 177.584 0.121 0.000 1.181 174 A CA 1.878 54.011 52.037 0.161 0.000 0.627 174 A CB -0.907 18.170 19.000 0.128 0.000 0.818 174 A HN 0.379 nan 8.150 nan 0.000 0.445 175 A N -1.951 120.931 122.820 0.104 0.000 2.238 175 A HA 0.423 4.743 4.320 0.000 0.000 0.208 175 A C 1.569 179.271 177.584 0.197 0.000 1.177 175 A CA 1.147 53.262 52.037 0.130 0.000 0.804 175 A CB -0.935 18.148 19.000 0.138 0.000 0.823 175 A HN 2.006 nan 8.150 nan 0.000 0.482 176 G N -1.921 107.047 108.800 0.281 0.000 2.164 176 G HA2 -0.176 3.784 3.960 0.000 0.000 0.212 176 G HA3 -0.176 3.784 3.960 0.000 0.000 0.212 176 G C -0.162 175.124 174.900 0.644 0.000 1.031 176 G CA -0.175 45.160 45.100 0.392 0.000 0.730 176 G HN 0.656 nan 8.290 nan 0.000 0.501 177 C N 1.373 120.956 119.300 0.473 0.000 2.455 177 C HA 0.792 5.252 4.460 0.000 0.000 0.320 177 C C -1.710 173.267 174.990 -0.023 0.000 1.226 177 C CA -1.547 57.553 59.018 0.137 0.000 1.569 177 C CB 2.226 29.976 27.740 0.017 0.000 2.200 177 C HN 0.420 nan 8.230 nan 0.000 0.491 178 P HA 0.512 nan 4.420 nan 0.000 0.277 178 P C -0.978 176.205 177.300 -0.195 0.000 1.240 178 P CA -0.066 62.890 63.100 -0.240 0.000 0.798 178 P CB 1.378 32.976 31.700 -0.170 0.000 0.979 179 I N 0.737 121.198 120.570 -0.181 0.000 2.802 179 I HA 0.340 4.510 4.170 0.000 0.000 0.298 179 I C -1.406 174.651 176.117 -0.101 0.000 1.176 179 I CA -1.227 60.004 61.300 -0.116 0.000 1.025 179 I CB 2.431 40.379 38.000 -0.088 0.000 1.243 179 I HN -0.046 nan 8.210 nan 0.000 0.424 180 V N 7.297 127.171 119.914 -0.067 0.000 2.407 180 V HA 0.423 4.543 4.120 0.000 0.000 0.291 180 V C -0.370 175.714 176.094 -0.017 0.000 1.018 180 V CA -0.537 61.732 62.300 -0.052 0.000 0.842 180 V CB 1.676 33.465 31.823 -0.056 0.000 0.996 180 V HN 0.415 nan 8.190 nan 0.000 0.426 181 V N 4.998 124.911 119.914 -0.002 0.000 2.547 181 V HA 0.546 4.666 4.120 0.000 0.000 0.299 181 V C 0.074 176.191 176.094 0.039 0.000 1.040 181 V CA -0.841 61.475 62.300 0.025 0.000 0.913 181 V CB 2.011 33.855 31.823 0.036 0.000 0.992 181 V HN 0.752 nan 8.190 nan 0.000 0.449 182 K N 6.735 127.168 120.400 0.054 0.000 2.449 182 K HA 0.439 4.759 4.320 0.000 0.000 0.257 182 K C -2.749 173.898 176.600 0.078 0.000 0.989 182 K CA -1.908 54.419 56.287 0.067 0.000 0.916 182 K CB 2.188 34.729 32.500 0.069 0.000 1.136 182 K HN 0.352 nan 8.250 nan 0.000 0.439 183 P HA 0.043 nan 4.420 nan 0.000 0.275 183 P C -0.706 176.650 177.300 0.093 0.000 1.270 183 P CA -0.383 62.767 63.100 0.082 0.000 0.791 183 P CB 0.434 32.181 31.700 0.078 0.000 1.089 184 A N -0.421 122.462 122.820 0.105 0.000 2.328 184 A HA 0.446 4.766 4.320 0.000 0.000 0.284 184 A C 1.590 179.228 177.584 0.089 0.000 1.160 184 A CA 0.143 52.255 52.037 0.125 0.000 0.818 184 A CB -0.687 18.445 19.000 0.219 0.000 1.087 184 A HN 0.552 nan 8.150 nan 0.000 0.504 185 E N 1.508 121.743 120.200 0.057 0.000 2.339 185 E HA -0.180 4.170 4.350 0.000 0.000 0.201 185 E C 1.889 178.516 176.600 0.044 0.000 1.015 185 E CA 2.139 58.565 56.400 0.044 0.000 0.841 185 E CB -0.383 29.198 29.700 -0.198 0.000 0.754 185 E HN 0.698 nan 8.360 nan 0.000 0.508 186 S N -0.834 114.859 115.700 -0.011 0.000 2.456 186 S HA 0.032 4.502 4.470 0.000 0.000 0.224 186 S C 1.323 175.899 174.600 -0.039 0.000 1.035 186 S CA 1.103 59.261 58.200 -0.069 0.000 0.940 186 S CB 0.290 63.355 63.200 -0.225 0.000 0.799 186 S HN 0.776 nan 8.310 nan 0.000 0.508 187 T N -0.117 114.440 114.554 0.006 0.000 3.410 187 T HA 0.454 4.804 4.350 0.000 0.000 0.328 187 T C -2.583 172.085 174.700 -0.054 0.000 1.567 187 T CA -1.309 60.789 62.100 -0.002 0.000 1.626 187 T CB 1.359 70.294 68.868 0.111 0.000 0.939 187 T HN 0.005 nan 8.240 nan 0.000 0.656 188 P HA 0.159 nan 4.420 nan 0.000 0.222 188 P C 1.129 178.346 177.300 -0.139 0.000 1.157 188 P CA 0.185 63.151 63.100 -0.223 0.000 0.816 188 P CB -0.104 31.370 31.700 -0.376 0.000 0.813 189 F N 0.662 120.622 119.950 0.016 0.000 2.134 189 F HA -0.124 4.403 4.527 0.000 0.000 0.299 189 F C 2.422 178.253 175.800 0.053 0.000 1.097 189 F CA 1.238 59.238 58.000 -0.000 0.000 1.264 189 F CB -1.820 37.157 39.000 -0.038 0.000 1.001 189 F HN -0.109 nan 8.300 nan 0.000 0.479 190 S N 0.052 115.894 115.700 0.238 0.000 2.368 190 S HA -0.147 4.323 4.470 0.000 0.000 0.225 190 S C 2.370 177.081 174.600 0.184 0.000 1.030 190 S CA 1.005 59.320 58.200 0.192 0.000 0.999 190 S CB -0.739 62.558 63.200 0.162 0.000 0.844 190 S HN 0.369 nan 8.310 nan 0.000 0.459 191 A N 0.963 123.880 122.820 0.162 0.000 2.019 191 A HA 0.047 4.367 4.320 0.000 0.000 0.219 191 A C 1.998 179.697 177.584 0.191 0.000 1.164 191 A CA 1.060 53.192 52.037 0.159 0.000 0.644 191 A CB -0.485 18.588 19.000 0.122 0.000 0.805 191 A HN 0.473 nan 8.150 nan 0.000 0.449 192 L N -1.544 119.812 121.223 0.222 0.000 2.298 192 L HA 0.106 4.446 4.340 0.000 0.000 0.209 192 L C 2.917 179.980 176.870 0.321 0.000 1.084 192 L CA 0.670 55.693 54.840 0.305 0.000 0.816 192 L CB -0.476 41.789 42.059 0.343 0.000 0.967 192 L HN 0.309 nan 8.230 nan 0.000 0.460 193 A N 0.692 123.666 122.820 0.257 0.000 1.917 193 A HA -0.233 4.087 4.320 0.000 0.000 0.219 193 A C 2.314 180.074 177.584 0.294 0.000 1.182 193 A CA 2.017 54.204 52.037 0.249 0.000 0.633 193 A CB -0.488 18.628 19.000 0.194 0.000 0.819 193 A HN 0.383 nan 8.150 nan 0.000 0.448 194 M N -0.913 118.862 119.600 0.291 0.000 2.349 194 M HA 0.018 4.498 4.480 0.000 0.000 0.266 194 M C 2.441 178.941 176.300 0.333 0.000 1.076 194 M CA 1.025 56.562 55.300 0.395 0.000 1.126 194 M CB -0.490 32.375 32.600 0.441 0.000 1.392 194 M HN 0.461 nan 8.290 nan 0.000 0.440 195 A N 0.792 123.722 122.820 0.183 0.000 1.898 195 A HA -0.172 4.148 4.320 0.000 0.000 0.216 195 A C 1.981 179.499 177.584 -0.111 0.000 1.181 195 A CA 1.246 53.223 52.037 -0.099 0.000 0.620 195 A CB -0.899 18.001 19.000 -0.167 0.000 0.819 195 A HN 0.458 nan 8.150 nan 0.000 0.442 196 F N 0.842 120.831 119.950 0.064 0.000 2.126 196 F HA -0.129 4.398 4.527 0.000 0.000 0.299 196 F C 1.836 177.661 175.800 0.043 0.000 1.096 196 F CA 1.413 59.500 58.000 0.145 0.000 1.255 196 F CB -0.494 38.563 39.000 0.095 0.000 0.997 196 F HN 0.142 nan 8.300 nan 0.000 0.479 197 L N -0.476 120.750 121.223 0.005 0.000 2.156 197 L HA -0.104 4.236 4.340 0.000 0.000 0.208 197 L C 2.702 179.513 176.870 -0.099 0.000 1.095 197 L CA 0.977 55.796 54.840 -0.035 0.000 0.770 197 L CB -1.153 41.040 42.059 0.224 0.000 0.914 197 L HN 0.171 nan 8.230 nan 0.000 0.439 198 A N -0.145 122.469 122.820 -0.345 0.000 1.969 198 A HA -0.220 4.100 4.320 0.000 0.000 0.218 198 A C 2.289 179.650 177.584 -0.373 0.000 1.169 198 A CA 1.553 53.124 52.037 -0.777 0.000 0.635 198 A CB -0.384 17.881 19.000 -1.225 0.000 0.810 198 A HN 0.467 nan 8.150 nan 0.000 0.445 199 E N -0.181 119.875 120.200 -0.239 0.000 2.072 199 E HA -0.192 4.158 4.350 0.000 0.000 0.191 199 E C 2.229 178.787 176.600 -0.070 0.000 0.985 199 E CA 0.852 57.208 56.400 -0.074 0.000 0.801 199 E CB -0.141 29.602 29.700 0.071 0.000 0.750 199 E HN 0.551 nan 8.360 nan 0.000 0.452 200 R N -0.249 120.159 120.500 -0.153 0.000 2.105 200 R HA -0.106 4.234 4.340 0.000 0.000 0.239 200 R C 2.190 178.459 176.300 -0.051 0.000 1.135 200 R CA 1.173 57.187 56.100 -0.144 0.000 0.967 200 R CB -0.209 29.941 30.300 -0.251 0.000 0.861 200 R HN 0.170 nan 8.270 nan 0.000 0.442 201 A N -0.318 122.484 122.820 -0.030 0.000 2.206 201 A HA 0.146 4.466 4.320 0.000 0.000 0.211 201 A C 1.185 178.795 177.584 0.042 0.000 1.158 201 A CA 0.913 52.975 52.037 0.041 0.000 0.761 201 A CB 0.029 19.102 19.000 0.121 0.000 0.801 201 A HN 0.474 nan 8.150 nan 0.000 0.473 202 G N -1.078 107.727 108.800 0.009 0.000 2.203 202 G HA2 -0.143 3.817 3.960 0.000 0.000 0.231 202 G HA3 -0.143 3.817 3.960 0.000 0.000 0.231 202 G C -0.028 174.906 174.900 0.056 0.000 1.058 202 G CA -0.062 45.061 45.100 0.039 0.000 0.781 202 G HN 0.740 nan 8.290 nan 0.000 0.496 203 V N 1.561 121.464 119.914 -0.019 0.000 2.446 203 V HA 0.248 4.368 4.120 0.000 0.000 0.276 203 V C -0.870 175.189 176.094 -0.058 0.000 1.030 203 V CA -0.875 61.381 62.300 -0.072 0.000 1.033 203 V CB 0.708 32.358 31.823 -0.288 0.000 0.993 203 V HN 0.277 nan 8.190 nan 0.000 0.477 204 P HA 0.115 nan 4.420 nan 0.000 0.264 204 P C 0.116 177.383 177.300 -0.054 0.000 1.179 204 P CA 0.256 63.370 63.100 0.025 0.000 0.763 204 P CB 0.265 32.040 31.700 0.125 0.000 0.806 205 K N 2.041 122.421 120.400 -0.034 0.000 2.472 205 K HA 0.381 4.701 4.320 0.000 0.000 0.280 205 K C 1.406 177.940 176.600 -0.111 0.000 1.028 205 K CA 0.300 56.535 56.287 -0.087 0.000 1.045 205 K CB -1.147 31.314 32.500 -0.065 0.000 0.902 205 K HN 0.924 nan 8.250 nan 0.000 0.478 206 G N 0.430 109.121 108.800 -0.181 0.000 2.279 206 G HA2 -0.280 3.680 3.960 0.000 0.000 0.223 206 G HA3 -0.280 3.680 3.960 0.000 0.000 0.223 206 G C 1.440 176.233 174.900 -0.179 0.000 1.015 206 G CA 0.519 45.521 45.100 -0.163 0.000 0.621 206 G HN 1.033 nan 8.290 nan 0.000 0.506 207 V N 0.458 120.237 119.914 -0.225 0.000 2.358 207 V HA 0.260 4.380 4.120 0.000 0.000 0.246 207 V C 1.271 177.162 176.094 -0.340 0.000 1.047 207 V CA 2.029 64.115 62.300 -0.357 0.000 1.035 207 V CB -0.088 31.341 31.823 -0.656 0.000 0.658 207 V HN 0.563 nan 8.190 nan 0.000 0.452 208 L N -0.275 120.785 121.223 -0.271 0.000 2.341 208 L HA 0.637 4.977 4.340 0.000 0.000 0.278 208 L C -0.505 176.301 176.870 -0.106 0.000 1.005 208 L CA 0.320 55.052 54.840 -0.181 0.000 0.818 208 L CB 1.884 43.825 42.059 -0.197 0.000 1.259 208 L HN 0.020 nan 8.230 nan 0.000 0.418 209 S N 3.403 119.047 115.700 -0.093 0.000 2.536 209 S HA 0.765 5.235 4.470 0.000 0.000 0.287 209 S C -1.196 173.397 174.600 -0.012 0.000 1.101 209 S CA -0.604 57.534 58.200 -0.103 0.000 0.950 209 S CB 2.056 65.160 63.200 -0.160 0.000 1.056 209 S HN 0.395 nan 8.310 nan 0.000 0.481 210 V N 3.273 123.204 119.914 0.029 0.000 2.357 210 V HA 0.364 4.484 4.120 0.000 0.000 0.281 210 V C -0.457 175.662 176.094 0.042 0.000 1.015 210 V CA -0.596 61.736 62.300 0.054 0.000 0.827 210 V CB 1.327 33.208 31.823 0.098 0.000 1.018 210 V HN 0.726 nan 8.190 nan 0.000 0.432 211 V N 6.427 126.359 119.914 0.030 0.000 2.567 211 V HA 0.548 4.668 4.120 0.000 0.000 0.289 211 V C -0.024 176.108 176.094 0.064 0.000 1.049 211 V CA -0.343 61.977 62.300 0.033 0.000 0.969 211 V CB 1.792 33.626 31.823 0.018 0.000 0.995 211 V HN 0.649 nan 8.190 nan 0.000 0.471 212 I N 2.724 123.341 120.570 0.078 0.000 2.582 212 I HA 0.837 5.007 4.170 0.000 0.000 0.292 212 I C 0.540 176.762 176.117 0.175 0.000 1.066 212 I CA -0.016 61.356 61.300 0.121 0.000 1.053 212 I CB 2.145 40.196 38.000 0.085 0.000 1.241 212 I HN 0.886 nan 8.210 nan 0.000 0.421 213 G N 4.394 113.357 108.800 0.272 0.000 2.480 213 G HA2 -0.083 3.877 3.960 0.000 0.000 0.109 213 G HA3 -0.083 3.877 3.960 0.000 0.000 0.109 213 G C -1.435 173.536 174.900 0.118 0.000 1.172 213 G CA -0.667 44.632 45.100 0.332 0.000 1.091 213 G HN 0.529 nan 8.290 nan 0.000 0.464 214 D N 2.752 123.188 120.400 0.060 0.000 2.349 214 D HA 0.238 4.878 4.640 0.000 0.000 0.266 214 D C -0.601 175.694 176.300 -0.008 0.000 1.293 214 D CA -1.012 52.979 54.000 -0.014 0.000 0.926 214 D CB 1.576 42.376 40.800 0.001 0.000 1.090 214 D HN 0.010 nan 8.370 nan 0.000 0.502 215 P HA -0.213 nan 4.420 nan 0.000 0.215 215 P C 1.295 178.590 177.300 -0.009 0.000 1.153 215 P CA 1.718 64.815 63.100 -0.005 0.000 0.853 215 P CB 0.177 31.870 31.700 -0.012 0.000 0.788 216 K N 0.468 120.854 120.400 -0.022 0.000 2.032 216 K HA -0.060 4.260 4.320 0.000 0.000 0.209 216 K C 2.405 178.994 176.600 -0.019 0.000 1.048 216 K CA 2.072 58.344 56.287 -0.025 0.000 0.927 216 K CB -1.721 30.762 32.500 -0.028 0.000 0.712 216 K HN 0.236 nan 8.250 nan 0.000 0.441 217 A N 0.646 123.458 122.820 -0.012 0.000 1.898 217 A HA 0.071 4.391 4.320 0.000 0.000 0.216 217 A C 2.486 180.069 177.584 -0.003 0.000 1.181 217 A CA 1.519 53.552 52.037 -0.006 0.000 0.620 217 A CB -0.318 18.683 19.000 0.001 0.000 0.819 217 A HN 0.489 nan 8.150 nan 0.000 0.442 218 I N -0.105 120.468 120.570 0.005 0.000 2.179 218 I HA -0.203 3.967 4.170 0.000 0.000 0.242 218 I C 2.751 178.868 176.117 -0.001 0.000 1.088 218 I CA 1.227 62.532 61.300 0.008 0.000 1.357 218 I CB -0.702 37.312 38.000 0.023 0.000 1.051 218 I HN 0.374 nan 8.210 nan 0.000 0.409 219 G N 0.240 109.037 108.800 -0.005 0.000 2.476 219 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 219 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 219 G C 1.655 176.536 174.900 -0.030 0.000 1.164 219 G CA 1.704 46.792 45.100 -0.021 0.000 0.768 219 G HN 0.330 nan 8.290 nan 0.000 0.560 220 T N 0.513 115.050 114.554 -0.028 0.000 2.759 220 T HA -0.089 4.261 4.350 0.000 0.000 0.269 220 T C 2.190 176.876 174.700 -0.023 0.000 1.042 220 T CA 1.661 63.745 62.100 -0.028 0.000 1.140 220 T CB -0.116 68.739 68.868 -0.023 0.000 0.864 220 T HN 0.394 nan 8.240 nan 0.000 0.455 221 E N 1.144 121.333 120.200 -0.018 0.000 2.047 221 E HA -0.006 4.344 4.350 0.000 0.000 0.191 221 E C 2.043 178.631 176.600 -0.020 0.000 0.987 221 E CA 0.926 57.316 56.400 -0.017 0.000 0.799 221 E CB -0.550 29.142 29.700 -0.013 0.000 0.752 221 E HN 0.493 nan 8.360 nan 0.000 0.449 222 I N 0.679 121.237 120.570 -0.019 0.000 2.194 222 I HA -0.333 3.837 4.170 0.000 0.000 0.246 222 I C 2.380 178.481 176.117 -0.027 0.000 1.093 222 I CA 1.951 63.238 61.300 -0.021 0.000 1.355 222 I CB -0.627 37.365 38.000 -0.013 0.000 1.046 222 I HN 0.338 nan 8.210 nan 0.000 0.413 223 T N -2.484 112.051 114.554 -0.031 0.000 2.896 223 T HA -0.070 4.280 4.350 0.000 0.000 0.263 223 T C 1.863 176.545 174.700 -0.031 0.000 1.050 223 T CA 1.052 63.130 62.100 -0.036 0.000 1.140 223 T CB -0.461 68.379 68.868 -0.046 0.000 0.877 223 T HN 0.422 nan 8.240 nan 0.000 0.457 224 S N 0.973 116.657 115.700 -0.027 0.000 2.501 224 S HA 0.102 4.572 4.470 0.000 0.000 0.220 224 S C 1.026 175.614 174.600 -0.020 0.000 0.997 224 S CA -0.360 57.826 58.200 -0.023 0.000 0.919 224 S CB -0.706 62.482 63.200 -0.020 0.000 0.778 224 S HN 0.430 nan 8.310 nan 0.000 0.523 225 N N 3.965 122.652 118.700 -0.022 0.000 2.427 225 N HA 0.149 4.889 4.740 0.000 0.000 0.269 225 N C -1.830 173.666 175.510 -0.023 0.000 1.235 225 N CA -1.402 51.636 53.050 -0.021 0.000 0.934 225 N CB 1.263 39.736 38.487 -0.024 0.000 1.121 225 N HN 0.172 nan 8.380 nan 0.000 0.480 226 P HA -0.074 nan 4.420 nan 0.000 0.231 226 P C 1.210 178.500 177.300 -0.017 0.000 1.158 226 P CA 0.809 63.901 63.100 -0.015 0.000 0.763 226 P CB 0.382 32.079 31.700 -0.006 0.000 0.805 227 I N -0.971 119.585 120.570 -0.023 0.000 2.400 227 I HA -0.059 4.111 4.170 0.000 0.000 0.248 227 I C 0.848 176.927 176.117 -0.063 0.000 1.109 227 I CA 0.363 61.645 61.300 -0.031 0.000 1.425 227 I CB -0.275 37.711 38.000 -0.024 0.000 1.094 227 I HN -0.307 nan 8.210 nan 0.000 0.425 228 V N 2.995 122.872 119.914 -0.061 0.000 2.434 228 V HA -0.036 4.084 4.120 0.000 0.000 0.281 228 V C 1.257 177.307 176.094 -0.073 0.000 1.005 228 V CA 0.686 62.942 62.300 -0.074 0.000 1.089 228 V CB 0.038 31.827 31.823 -0.056 0.000 0.978 228 V HN 0.333 nan 8.190 nan 0.000 0.474 229 R N 2.754 123.194 120.500 -0.099 0.000 2.265 229 R HA 0.165 4.505 4.340 0.000 0.000 0.194 229 R C 0.444 176.693 176.300 -0.085 0.000 0.931 229 R CA 0.063 56.111 56.100 -0.087 0.000 1.032 229 R CB 0.400 30.635 30.300 -0.108 0.000 0.980 229 R HN 0.618 nan 8.270 nan 0.000 0.497 230 K N 0.784 121.126 120.400 -0.096 0.000 2.581 230 K HA 0.244 4.564 4.320 0.000 0.000 0.249 230 K C -1.921 174.629 176.600 -0.084 0.000 0.966 230 K CA -0.715 55.508 56.287 -0.107 0.000 0.811 230 K CB 1.431 33.837 32.500 -0.157 0.000 1.223 230 K HN -0.110 nan 8.250 nan 0.000 0.438 231 L N 2.235 123.419 121.223 -0.066 0.000 2.334 231 L HA 0.780 5.120 4.340 0.000 0.000 0.273 231 L C -1.190 175.674 176.870 -0.011 0.000 1.013 231 L CA 0.081 54.906 54.840 -0.024 0.000 0.816 231 L CB 2.272 44.324 42.059 -0.011 0.000 1.278 231 L HN 0.742 nan 8.230 nan 0.000 0.431 232 S N 3.852 119.577 115.700 0.042 0.000 2.733 232 S HA 0.618 5.088 4.470 0.000 0.000 0.294 232 S C -1.356 173.332 174.600 0.147 0.000 1.149 232 S CA -0.458 57.783 58.200 0.069 0.000 1.034 232 S CB 0.284 63.516 63.200 0.055 0.000 1.015 232 S HN 0.516 nan 8.310 nan 0.000 0.486 233 F N 3.580 123.531 119.950 0.002 0.000 2.522 233 F HA 0.773 5.300 4.527 0.000 0.000 0.324 233 F C -0.500 175.312 175.800 0.021 0.000 1.077 233 F CA -0.247 57.759 58.000 0.010 0.000 0.944 233 F CB 2.291 41.296 39.000 0.008 0.000 1.175 233 F HN 0.426 nan 8.300 nan 0.000 0.468 234 T N 4.061 117.972 114.554 -1.072 0.000 3.078 234 T HA 0.681 5.031 4.350 0.000 0.000 0.328 234 T C -0.241 173.754 174.700 -1.174 0.000 0.987 234 T CA -0.325 61.264 62.100 -0.850 0.000 1.049 234 T CB 0.782 69.437 68.868 -0.356 0.000 1.011 234 T HN 1.089 nan 8.240 nan 0.000 0.463 235 G N 1.797 109.941 108.800 -1.094 0.000 2.562 235 G HA2 0.576 4.536 3.960 0.000 0.000 0.190 235 G HA3 0.576 4.536 3.960 0.000 0.000 0.190 235 G C -0.549 174.395 174.900 0.072 0.000 1.196 235 G CA -0.213 44.642 45.100 -0.409 0.000 0.986 235 G HN 0.808 nan 8.290 nan 0.000 0.512 236 S N -0.377 115.491 115.700 0.281 0.000 2.585 236 S HA 0.401 4.871 4.470 0.000 0.000 0.273 236 S C 1.346 176.116 174.600 0.284 0.000 1.339 236 S CA 1.022 59.357 58.200 0.224 0.000 1.028 236 S CB 1.243 64.543 63.200 0.168 0.000 0.906 236 S HN 0.725 nan 8.310 nan 0.000 0.528 237 T N 2.527 117.208 114.554 0.212 0.000 2.788 237 T HA -0.066 4.284 4.350 0.000 0.000 0.268 237 T C 2.148 176.949 174.700 0.167 0.000 1.044 237 T CA 1.445 63.684 62.100 0.231 0.000 1.139 237 T CB -0.820 68.253 68.868 0.342 0.000 0.867 237 T HN 0.858 nan 8.240 nan 0.000 0.454 238 A N 0.907 123.812 122.820 0.142 0.000 1.933 238 A HA -0.021 4.299 4.320 0.000 0.000 0.218 238 A C 2.564 180.160 177.584 0.021 0.000 1.175 238 A CA 1.278 53.364 52.037 0.081 0.000 0.628 238 A CB -0.837 18.210 19.000 0.080 0.000 0.814 238 A HN 0.379 nan 8.150 nan 0.000 0.444 239 V N -0.462 119.459 119.914 0.012 0.000 2.446 239 V HA -0.060 4.060 4.120 0.000 0.000 0.244 239 V C 2.824 178.714 176.094 -0.341 0.000 1.039 239 V CA 1.574 63.792 62.300 -0.137 0.000 1.045 239 V CB -1.337 30.426 31.823 -0.100 0.000 0.681 239 V HN 0.580 nan 8.190 nan 0.000 0.459 240 G N 0.025 108.653 108.800 -0.287 0.000 2.469 240 G HA2 -0.291 3.669 3.960 0.000 0.000 0.219 240 G HA3 -0.291 3.669 3.960 0.000 0.000 0.219 240 G C 1.730 176.552 174.900 -0.130 0.000 1.150 240 G CA 0.954 45.895 45.100 -0.264 0.000 0.763 240 G HN 0.404 nan 8.290 nan 0.000 0.561 241 R N -0.338 120.134 120.500 -0.047 0.000 2.103 241 R HA -0.025 4.315 4.340 0.000 0.000 0.242 241 R C 2.644 178.906 176.300 -0.064 0.000 1.142 241 R CA 1.327 57.409 56.100 -0.030 0.000 0.960 241 R CB -0.402 29.899 30.300 0.001 0.000 0.858 241 R HN 0.368 nan 8.270 nan 0.000 0.439 242 L N 0.177 121.343 121.223 -0.095 0.000 2.072 242 L HA -0.139 4.201 4.340 0.000 0.000 0.205 242 L C 2.327 179.128 176.870 -0.116 0.000 1.079 242 L CA 0.971 55.754 54.840 -0.094 0.000 0.752 242 L CB -0.462 41.542 42.059 -0.092 0.000 0.906 242 L HN 0.196 nan 8.230 nan 0.000 0.436 243 L N -0.654 120.458 121.223 -0.185 0.000 2.081 243 L HA -0.285 4.055 4.340 0.000 0.000 0.212 243 L C 2.689 179.494 176.870 -0.109 0.000 1.080 243 L CA 1.485 56.217 54.840 -0.179 0.000 0.754 243 L CB -0.425 41.454 42.059 -0.299 0.000 0.893 243 L HN 0.350 nan 8.230 nan 0.000 0.433 244 M N -0.418 119.127 119.600 -0.092 0.000 2.132 244 M HA -0.186 4.294 4.480 0.000 0.000 0.263 244 M C 2.387 178.659 176.300 -0.046 0.000 1.065 244 M CA 1.928 57.196 55.300 -0.054 0.000 1.122 244 M CB -0.089 32.489 32.600 -0.037 0.000 1.365 244 M HN 0.249 nan 8.290 nan 0.000 0.411 245 A N 0.014 122.805 122.820 -0.048 0.000 1.877 245 A HA -0.244 4.076 4.320 0.000 0.000 0.216 245 A C 1.918 179.478 177.584 -0.040 0.000 1.186 245 A CA 1.985 53.998 52.037 -0.039 0.000 0.620 245 A CB -0.843 18.135 19.000 -0.037 0.000 0.822 245 A HN 0.704 nan 8.150 nan 0.000 0.443 246 Q N -0.237 119.534 119.800 -0.049 0.000 2.119 246 Q HA -0.083 4.257 4.340 0.000 0.000 0.201 246 Q C 2.249 178.225 176.000 -0.041 0.000 0.972 246 Q CA 1.653 57.428 55.803 -0.046 0.000 0.847 246 Q CB -0.131 28.574 28.738 -0.056 0.000 0.903 246 Q HN 0.648 nan 8.270 nan 0.000 0.433 247 S N 0.671 116.344 115.700 -0.044 0.000 2.481 247 S HA -0.037 4.433 4.470 0.000 0.000 0.231 247 S C 1.950 176.532 174.600 -0.030 0.000 0.996 247 S CA 0.551 58.728 58.200 -0.038 0.000 0.942 247 S CB -0.115 63.061 63.200 -0.040 0.000 0.768 247 S HN 0.456 nan 8.310 nan 0.000 0.520 248 A N 2.772 125.575 122.820 -0.029 0.000 1.892 248 A HA -0.085 4.235 4.320 0.000 0.000 0.218 248 A C -0.001 177.571 177.584 -0.019 0.000 1.188 248 A CA 1.525 53.548 52.037 -0.023 0.000 0.631 248 A CB -1.875 17.111 19.000 -0.022 0.000 0.822 248 A HN 0.405 nan 8.150 nan 0.000 0.447 249 P HA -0.079 nan 4.420 nan 0.000 0.220 249 P C 1.252 178.544 177.300 -0.014 0.000 1.148 249 P CA 1.860 64.951 63.100 -0.015 0.000 0.803 249 P CB -0.225 31.466 31.700 -0.015 0.000 0.782 250 T N -5.155 109.389 114.554 -0.017 0.000 3.086 250 T HA 0.158 4.508 4.350 0.000 0.000 0.250 250 T C 0.866 175.556 174.700 -0.016 0.000 1.074 250 T CA -0.287 61.803 62.100 -0.015 0.000 0.988 250 T CB -0.712 68.145 68.868 -0.018 0.000 0.988 250 T HN -0.104 nan 8.240 nan 0.000 0.530 251 V N 1.513 121.417 119.914 -0.018 0.000 5.767 251 V HA -0.236 3.884 4.120 0.000 0.000 0.311 251 V C 0.291 176.373 176.094 -0.021 0.000 0.532 251 V CA 0.677 62.966 62.300 -0.017 0.000 0.659 251 V CB -1.688 30.128 31.823 -0.011 0.000 0.353 251 V HN 0.659 nan 8.190 nan 0.000 1.082 252 K N 0.558 120.941 120.400 -0.028 0.000 2.180 252 K HA 0.338 4.658 4.320 0.000 0.000 0.251 252 K C 0.240 176.817 176.600 -0.040 0.000 1.014 252 K CA -0.404 55.862 56.287 -0.036 0.000 0.913 252 K CB 0.587 33.062 32.500 -0.041 0.000 1.008 252 K HN 0.373 nan 8.250 nan 0.000 0.490 253 K N 1.511 121.879 120.400 -0.053 0.000 2.249 253 K HA 0.232 4.552 4.320 0.000 0.000 0.280 253 K C -1.296 175.259 176.600 -0.075 0.000 1.033 253 K CA -0.210 56.038 56.287 -0.065 0.000 0.946 253 K CB 0.424 32.873 32.500 -0.085 0.000 1.005 253 K HN 0.240 nan 8.250 nan 0.000 0.469 254 L N 2.997 124.183 121.223 -0.062 0.000 2.408 254 L HA 0.438 4.778 4.340 0.000 0.000 0.268 254 L C -0.858 175.990 176.870 -0.036 0.000 0.986 254 L CA -0.234 54.582 54.840 -0.041 0.000 0.820 254 L CB 2.358 44.407 42.059 -0.016 0.000 1.303 254 L HN 0.717 nan 8.230 nan 0.000 0.411 255 T N 4.277 118.820 114.554 -0.018 0.000 2.809 255 T HA 0.649 4.999 4.350 0.000 0.000 0.296 255 T C -0.434 174.311 174.700 0.076 0.000 1.015 255 T CA -0.265 61.840 62.100 0.009 0.000 0.954 255 T CB 0.461 69.318 68.868 -0.017 0.000 0.950 255 T HN 0.239 nan 8.240 nan 0.000 0.450 256 L N 3.454 124.730 121.223 0.089 0.000 2.298 256 L HA 0.455 4.795 4.340 0.000 0.000 0.284 256 L C 0.360 177.296 176.870 0.111 0.000 1.013 256 L CA -0.649 54.283 54.840 0.154 0.000 0.824 256 L CB 1.281 43.434 42.059 0.156 0.000 1.221 256 L HN 0.457 nan 8.230 nan 0.000 0.418 257 E N 5.853 126.102 120.200 0.081 0.000 2.167 257 E HA 0.361 4.711 4.350 0.000 0.000 0.247 257 E C -0.348 176.271 176.600 0.031 0.000 0.961 257 E CA -0.162 56.273 56.400 0.057 0.000 0.797 257 E CB 1.206 30.940 29.700 0.057 0.000 1.182 257 E HN 0.523 nan 8.360 nan 0.000 0.437 258 L N -0.295 120.979 121.223 0.084 0.000 2.970 258 L HA 0.521 4.861 4.340 0.000 0.000 0.214 258 L C 1.331 178.229 176.870 0.047 0.000 1.317 258 L CA -1.050 53.857 54.840 0.111 0.000 1.187 258 L CB -0.140 42.028 42.059 0.183 0.000 2.155 258 L HN 0.299 nan 8.230 nan 0.000 0.554 259 G N -1.495 107.303 108.800 -0.004 0.000 2.667 259 G HA2 0.451 4.411 3.960 0.000 0.000 0.250 259 G HA3 0.451 4.411 3.960 0.000 0.000 0.250 259 G C -0.268 174.444 174.900 -0.312 0.000 1.212 259 G CA 0.339 45.288 45.100 -0.250 0.000 0.874 259 G HN 0.771 nan 8.290 nan 0.000 0.561 260 G N -1.227 107.325 108.800 -0.413 0.000 3.086 260 G HA2 0.463 4.423 3.960 0.000 0.000 0.282 260 G HA3 0.463 4.423 3.960 0.000 0.000 0.282 260 G C -0.759 174.011 174.900 -0.216 0.000 1.343 260 G CA -0.425 44.555 45.100 -0.201 0.000 0.895 260 G HN 0.797 nan 8.290 nan 0.000 0.557 261 N N -1.022 117.696 118.700 0.030 0.000 2.728 261 N HA 0.300 5.040 4.740 0.000 0.000 0.221 261 N C -0.012 175.582 175.510 0.140 0.000 1.412 261 N CA 0.140 53.238 53.050 0.080 0.000 1.003 261 N CB 0.296 38.908 38.487 0.208 0.000 1.525 261 N HN 0.821 nan 8.380 nan 0.000 0.552 262 A N 1.836 124.703 122.820 0.078 0.000 2.580 262 A HA 0.274 4.594 4.320 0.000 0.000 0.244 262 A C -2.223 175.372 177.584 0.017 0.000 1.045 262 A CA 0.032 52.083 52.037 0.023 0.000 0.761 262 A CB -0.269 18.756 19.000 0.042 0.000 0.962 262 A HN 0.347 nan 8.150 nan 0.000 0.512 263 P HA 0.395 nan 4.420 nan 0.000 0.298 263 P C -1.074 176.261 177.300 0.057 0.000 1.314 263 P CA -0.300 62.828 63.100 0.047 0.000 0.854 263 P CB 0.897 32.574 31.700 -0.038 0.000 1.019 264 F N 4.265 124.186 119.950 -0.049 0.000 2.308 264 F HA 0.464 4.991 4.527 0.000 0.000 0.370 264 F C -0.341 175.548 175.800 0.148 0.000 1.100 264 F CA -0.851 57.158 58.000 0.015 0.000 1.108 264 F CB 0.328 39.127 39.000 -0.335 0.000 1.293 264 F HN 0.119 nan 8.300 nan 0.000 0.478 265 I N 6.711 127.228 120.570 -0.089 0.000 2.312 265 I HA 0.245 4.415 4.170 0.000 0.000 0.291 265 I C -0.756 175.372 176.117 0.018 0.000 1.031 265 I CA -0.614 60.663 61.300 -0.038 0.000 1.293 265 I CB 1.248 39.099 38.000 -0.249 0.000 1.403 265 I HN 0.205 nan 8.210 nan 0.000 0.484 266 V N 7.714 127.710 119.914 0.135 0.000 2.293 266 V HA 0.313 4.433 4.120 0.000 0.000 0.275 266 V C -0.105 176.119 176.094 0.217 0.000 1.021 266 V CA -0.484 61.876 62.300 0.101 0.000 0.815 266 V CB 0.504 32.175 31.823 -0.253 0.000 1.025 266 V HN 0.369 nan 8.190 nan 0.000 0.448 267 F N 2.195 122.314 119.950 0.282 0.000 2.370 267 F HA 0.289 4.816 4.527 0.000 0.000 0.324 267 F C 1.662 177.515 175.800 0.088 0.000 1.116 267 F CA -0.167 58.026 58.000 0.321 0.000 1.123 267 F CB 0.883 40.030 39.000 0.245 0.000 1.238 267 F HN 0.536 nan 8.300 nan 0.000 0.536 268 D N 0.938 121.442 120.400 0.173 0.000 2.370 268 D HA -0.284 4.356 4.640 0.000 0.000 0.190 268 D C 1.299 177.596 176.300 -0.005 0.000 1.019 268 D CA 2.304 56.183 54.000 -0.201 0.000 0.869 268 D CB -0.183 40.360 40.800 -0.427 0.000 0.944 268 D HN 0.630 nan 8.370 nan 0.000 0.456 269 D N -0.872 119.562 120.400 0.057 0.000 2.395 269 D HA 0.214 4.854 4.640 0.000 0.000 0.226 269 D C -0.133 176.230 176.300 0.105 0.000 1.146 269 D CA -0.193 53.839 54.000 0.053 0.000 0.830 269 D CB -0.362 40.446 40.800 0.013 0.000 0.958 269 D HN 0.211 nan 8.370 nan 0.000 0.501 270 A N 0.509 123.428 122.820 0.165 0.000 2.354 270 A HA 0.190 4.510 4.320 0.000 0.000 0.269 270 A C 0.173 177.867 177.584 0.183 0.000 1.109 270 A CA -0.521 51.644 52.037 0.213 0.000 0.800 270 A CB 0.509 19.686 19.000 0.295 0.000 1.045 270 A HN 0.081 nan 8.150 nan 0.000 0.489 271 D N 1.721 122.243 120.400 0.203 0.000 2.426 271 D HA 0.035 4.675 4.640 0.000 0.000 0.261 271 D C 0.809 177.217 176.300 0.179 0.000 1.245 271 D CA 0.086 54.193 54.000 0.177 0.000 0.917 271 D CB 0.430 41.345 40.800 0.191 0.000 1.123 271 D HN 0.329 nan 8.370 nan 0.000 0.508 272 L N 4.119 125.433 121.223 0.152 0.000 2.109 272 L HA -0.100 4.240 4.340 0.000 0.000 0.207 272 L C 1.966 178.931 176.870 0.159 0.000 1.086 272 L CA 1.213 56.163 54.840 0.184 0.000 0.760 272 L CB -0.228 41.939 42.059 0.181 0.000 0.910 272 L HN 0.429 nan 8.230 nan 0.000 0.437 273 D N -0.439 120.025 120.400 0.106 0.000 2.097 273 D HA -0.151 4.489 4.640 0.000 0.000 0.197 273 D C 2.174 178.521 176.300 0.078 0.000 0.984 273 D CA 1.528 55.571 54.000 0.070 0.000 0.826 273 D CB -0.037 40.798 40.800 0.058 0.000 0.973 273 D HN 0.335 nan 8.370 nan 0.000 0.460 274 A N 1.148 124.040 122.820 0.121 0.000 1.972 274 A HA -0.027 4.293 4.320 0.000 0.000 0.219 274 A C 2.287 179.904 177.584 0.056 0.000 1.169 274 A CA 1.998 54.141 52.037 0.178 0.000 0.635 274 A CB -0.448 18.733 19.000 0.300 0.000 0.810 274 A HN 0.249 nan 8.150 nan 0.000 0.446 275 A N -0.706 122.019 122.820 -0.158 0.000 1.930 275 A HA 0.113 4.433 4.320 0.000 0.000 0.215 275 A C 2.177 179.757 177.584 -0.006 0.000 1.176 275 A CA 1.432 53.140 52.037 -0.549 0.000 0.632 275 A CB -0.730 18.093 19.000 -0.295 0.000 0.819 275 A HN 0.326 nan 8.150 nan 0.000 0.445 276 V N 0.297 120.275 119.914 0.107 0.000 2.295 276 V HA -0.230 3.890 4.120 0.000 0.000 0.246 276 V C 3.119 179.184 176.094 -0.047 0.000 1.049 276 V CA 2.670 64.957 62.300 -0.021 0.000 1.024 276 V CB -1.337 30.407 31.823 -0.133 0.000 0.648 276 V HN 0.778 nan 8.190 nan 0.000 0.447 277 E N 0.500 120.701 120.200 0.001 0.000 2.038 277 E HA -0.227 4.123 4.350 0.000 0.000 0.195 277 E C 2.308 178.942 176.600 0.057 0.000 1.000 277 E CA 1.692 58.110 56.400 0.030 0.000 0.803 277 E CB -1.450 28.289 29.700 0.066 0.000 0.750 277 E HN 0.662 nan 8.360 nan 0.000 0.448 278 G N -0.248 108.623 108.800 0.118 0.000 2.509 278 G HA2 0.149 4.109 3.960 0.000 0.000 0.218 278 G HA3 0.149 4.109 3.960 0.000 0.000 0.218 278 G C 1.829 176.741 174.900 0.020 0.000 1.124 278 G CA 1.400 46.633 45.100 0.223 0.000 0.776 278 G HN 0.826 nan 8.290 nan 0.000 0.547 279 A N 0.965 123.652 122.820 -0.222 0.000 1.898 279 A HA 0.157 4.477 4.320 0.000 0.000 0.214 279 A C 2.290 179.808 177.584 -0.111 0.000 1.183 279 A CA 0.817 52.565 52.037 -0.481 0.000 0.622 279 A CB -0.187 18.617 19.000 -0.327 0.000 0.824 279 A HN 0.231 nan 8.150 nan 0.000 0.444 280 I N 0.414 120.982 120.570 -0.004 0.000 2.076 280 I HA -0.292 3.878 4.170 0.000 0.000 0.237 280 I C 3.001 179.184 176.117 0.109 0.000 1.059 280 I CA 1.715 63.100 61.300 0.141 0.000 1.317 280 I CB -1.704 36.331 38.000 0.058 0.000 1.037 280 I HN 0.358 nan 8.210 nan 0.000 0.398 281 A N 0.754 123.601 122.820 0.045 0.000 1.997 281 A HA -0.228 4.092 4.320 0.000 0.000 0.221 281 A C 2.350 179.927 177.584 -0.011 0.000 1.172 281 A CA 2.678 54.736 52.037 0.035 0.000 0.645 281 A CB -0.750 18.276 19.000 0.043 0.000 0.813 281 A HN 0.625 nan 8.150 nan 0.000 0.454 282 S N -2.739 112.897 115.700 -0.105 0.000 2.540 282 S HA 0.241 4.711 4.470 0.000 0.000 0.218 282 S C 1.265 175.756 174.600 -0.182 0.000 0.977 282 S CA 0.690 58.767 58.200 -0.204 0.000 0.918 282 S CB 0.291 63.148 63.200 -0.572 0.000 0.806 282 S HN 0.383 nan 8.310 nan 0.000 0.496 283 K N 0.228 120.513 120.400 -0.190 0.000 2.425 283 K HA 0.378 4.698 4.320 0.000 0.000 0.201 283 K C -0.429 175.790 176.600 -0.635 0.000 1.128 283 K CA 0.252 56.301 56.287 -0.397 0.000 1.000 283 K CB 0.245 32.493 32.500 -0.420 0.000 0.961 283 K HN 0.423 nan 8.250 nan 0.000 0.555 284 Y N -0.127 120.188 120.300 0.025 0.000 2.721 284 Y HA 0.406 4.956 4.550 0.000 0.000 0.251 284 Y C -0.319 175.599 175.900 0.031 0.000 1.136 284 Y CA -0.789 57.330 58.100 0.031 0.000 1.142 284 Y CB 0.573 39.043 38.460 0.017 0.000 1.212 284 Y HN -0.213 nan 8.280 nan 0.000 0.565 285 R N 1.553 122.121 120.500 0.113 0.000 2.357 285 R HA 0.249 4.589 4.340 0.000 0.000 0.296 285 R C 0.522 176.867 176.300 0.075 0.000 1.052 285 R CA 0.073 56.231 56.100 0.097 0.000 0.988 285 R CB 0.250 30.608 30.300 0.097 0.000 1.025 285 R HN 0.243 nan 8.270 nan 0.000 0.469 286 N N 3.010 121.741 118.700 0.051 0.000 2.735 286 N HA -0.277 4.463 4.740 0.000 0.000 0.248 286 N C -0.752 174.794 175.510 0.060 0.000 1.083 286 N CA 1.230 54.283 53.050 0.004 0.000 0.703 286 N CB -1.185 37.234 38.487 -0.113 0.000 1.005 286 N HN 0.886 nan 8.380 nan 0.000 0.550 287 N N -0.821 117.940 118.700 0.102 0.000 2.681 287 N HA -0.203 4.537 4.740 0.000 0.000 0.250 287 N C 0.728 176.305 175.510 0.112 0.000 1.133 287 N CA 2.573 55.709 53.050 0.144 0.000 0.732 287 N CB -1.441 37.120 38.487 0.124 0.000 1.107 287 N HN 1.374 nan 8.380 nan 0.000 0.559 288 G N -1.281 107.554 108.800 0.058 0.000 2.137 288 G HA2 -0.323 3.637 3.960 0.000 0.000 0.237 288 G HA3 -0.323 3.637 3.960 0.000 0.000 0.237 288 G C 0.319 175.249 174.900 0.049 0.000 1.002 288 G CA 0.524 45.618 45.100 -0.011 0.000 0.702 288 G HN 0.598 nan 8.290 nan 0.000 0.515 289 Q N 0.225 120.094 119.800 0.113 0.000 2.220 289 Q HA 0.201 4.541 4.340 0.000 0.000 0.205 289 Q C 1.375 177.478 176.000 0.171 0.000 0.865 289 Q CA 0.576 56.525 55.803 0.243 0.000 0.960 289 Q CB 0.614 29.502 28.738 0.250 0.000 1.097 289 Q HN 0.716 nan 8.270 nan 0.000 0.493 290 T N -2.808 111.820 114.554 0.125 0.000 2.868 290 T HA 0.053 4.403 4.350 0.000 0.000 0.292 290 T C 1.691 176.506 174.700 0.192 0.000 1.028 290 T CA -0.532 61.701 62.100 0.222 0.000 1.059 290 T CB 1.294 70.386 68.868 0.373 0.000 0.991 290 T HN 0.423 nan 8.240 nan 0.000 0.531 291 C N 1.665 121.108 119.300 0.237 0.000 2.411 291 C HA -0.014 4.446 4.460 0.000 0.000 0.279 291 C C 2.444 177.490 174.990 0.094 0.000 1.288 291 C CA 0.539 59.661 59.018 0.173 0.000 1.764 291 C CB -2.115 25.747 27.740 0.203 0.000 1.974 291 C HN 0.871 nan 8.230 nan 0.000 0.498 292 V N -2.040 117.978 119.914 0.173 0.000 3.649 292 V HA 0.267 4.387 4.120 0.000 0.000 0.275 292 V C 1.082 177.283 176.094 0.178 0.000 1.281 292 V CA -0.515 61.881 62.300 0.160 0.000 1.143 292 V CB -2.088 29.885 31.823 0.250 0.000 0.892 292 V HN 0.620 nan 8.190 nan 0.000 0.441 293 C N 2.592 121.945 119.300 0.089 0.000 2.596 293 C HA 0.221 4.681 4.460 0.000 0.000 0.414 293 C C 1.485 176.485 174.990 0.017 0.000 1.396 293 C CA 0.463 59.506 59.018 0.042 0.000 1.698 293 C CB -0.636 27.081 27.740 -0.038 0.000 2.572 293 C HN 0.650 nan 8.230 nan 0.000 0.604 294 T N 4.517 119.094 114.554 0.038 0.000 2.849 294 T HA -0.087 4.263 4.350 0.000 0.000 0.289 294 T C 1.017 175.642 174.700 -0.126 0.000 1.010 294 T CA 0.851 62.925 62.100 -0.042 0.000 1.161 294 T CB 0.017 68.692 68.868 -0.322 0.000 0.989 294 T HN 0.820 nan 8.240 nan 0.000 0.523 295 N N 2.532 121.185 118.700 -0.078 0.000 2.348 295 N HA 0.105 4.845 4.740 0.000 0.000 0.183 295 N C 0.014 175.555 175.510 0.052 0.000 1.094 295 N CA 0.213 53.245 53.050 -0.030 0.000 0.885 295 N CB 0.588 39.060 38.487 -0.026 0.000 1.065 295 N HN 0.435 nan 8.380 nan 0.000 0.472 296 R N -0.069 120.438 120.500 0.012 0.000 2.515 296 R HA 0.263 4.603 4.340 0.000 0.000 0.291 296 R C -1.581 174.733 176.300 0.023 0.000 1.046 296 R CA -0.587 55.585 56.100 0.120 0.000 0.914 296 R CB 1.145 31.457 30.300 0.020 0.000 1.191 296 R HN -0.021 nan 8.270 nan 0.000 0.435 297 F N 3.122 123.212 119.950 0.234 0.000 2.405 297 F HA 0.374 4.901 4.527 0.000 0.000 0.355 297 F C -0.122 175.764 175.800 0.143 0.000 1.121 297 F CA -0.252 57.899 58.000 0.252 0.000 1.112 297 F CB 0.711 39.852 39.000 0.235 0.000 1.126 297 F HN 0.347 nan 8.300 nan 0.000 0.481 298 F N 3.763 123.974 119.950 0.435 0.000 2.325 298 F HA 0.501 5.028 4.527 0.000 0.000 0.369 298 F C -0.443 175.626 175.800 0.449 0.000 1.095 298 F CA -0.923 57.311 58.000 0.390 0.000 1.082 298 F CB 1.003 40.052 39.000 0.081 0.000 1.289 298 F HN 0.007 nan 8.300 nan 0.000 0.462 299 V N 2.800 123.042 119.914 0.546 0.000 2.483 299 V HA 0.257 4.377 4.120 0.000 0.000 0.295 299 V C 0.368 176.466 176.094 0.007 0.000 1.035 299 V CA -1.029 61.435 62.300 0.275 0.000 0.896 299 V CB 1.269 33.159 31.823 0.111 0.000 0.986 299 V HN 0.601 nan 8.190 nan 0.000 0.447 300 H N 2.718 121.509 119.070 -0.465 0.000 2.929 300 H HA 0.004 4.560 4.556 0.000 0.000 0.358 300 H C 1.311 176.409 175.328 -0.383 0.000 1.111 300 H CA 1.179 56.640 56.048 -0.978 0.000 1.409 300 H CB 0.926 30.364 29.762 -0.540 0.000 1.373 300 H HN 0.984 nan 8.280 nan 0.000 0.610 301 E N 2.971 122.734 120.200 -0.728 0.000 2.119 301 E HA -0.388 3.962 4.350 0.000 0.000 0.221 301 E C 2.293 178.924 176.600 0.052 0.000 1.062 301 E CA 2.662 58.883 56.400 -0.298 0.000 0.894 301 E CB 0.021 29.485 29.700 -0.394 0.000 0.785 301 E HN 0.800 nan 8.360 nan 0.000 0.472 302 R N 0.205 120.878 120.500 0.289 0.000 2.066 302 R HA -0.065 4.275 4.340 0.000 0.000 0.232 302 R C 2.509 178.908 176.300 0.165 0.000 1.131 302 R CA 1.796 58.014 56.100 0.197 0.000 0.955 302 R CB -1.623 28.776 30.300 0.165 0.000 0.851 302 R HN 0.342 nan 8.270 nan 0.000 0.432 303 V N -2.442 117.578 119.914 0.177 0.000 3.646 303 V HA 0.156 4.276 4.120 0.000 0.000 0.277 303 V C 1.960 178.167 176.094 0.189 0.000 1.274 303 V CA 0.474 62.863 62.300 0.148 0.000 1.164 303 V CB -1.089 30.800 31.823 0.110 0.000 0.926 303 V HN 0.514 nan 8.190 nan 0.000 0.442 304 Y N 2.042 122.386 120.300 0.075 0.000 2.114 304 Y HA -0.174 4.376 4.550 0.000 0.000 0.284 304 Y C 2.234 178.206 175.900 0.120 0.000 1.143 304 Y CA 2.445 60.597 58.100 0.087 0.000 1.135 304 Y CB -0.119 38.359 38.460 0.030 0.000 0.980 304 Y HN 0.308 nan 8.280 nan 0.000 0.499 305 D N 0.283 120.807 120.400 0.208 0.000 2.088 305 D HA -0.227 4.413 4.640 0.000 0.000 0.191 305 D C 2.332 178.638 176.300 0.010 0.000 0.992 305 D CA 1.763 55.814 54.000 0.085 0.000 0.831 305 D CB -0.944 39.929 40.800 0.123 0.000 0.973 305 D HN 0.470 nan 8.370 nan 0.000 0.447 306 A N 0.263 123.118 122.820 0.058 0.000 1.986 306 A HA -0.212 4.108 4.320 0.000 0.000 0.220 306 A C 2.089 179.694 177.584 0.035 0.000 1.171 306 A CA 1.281 53.344 52.037 0.043 0.000 0.640 306 A CB -0.952 18.090 19.000 0.071 0.000 0.811 306 A HN 0.289 nan 8.150 nan 0.000 0.451 307 F N 0.401 120.294 119.950 -0.094 0.000 2.293 307 F HA 0.175 4.702 4.527 0.000 0.000 0.297 307 F C 2.414 178.091 175.800 -0.204 0.000 1.089 307 F CA 0.748 58.672 58.000 -0.127 0.000 1.377 307 F CB -0.302 38.637 39.000 -0.102 0.000 1.051 307 F HN 0.236 nan 8.300 nan 0.000 0.511 308 A N 0.203 122.876 122.820 -0.245 0.000 1.902 308 A HA -0.188 4.132 4.320 0.000 0.000 0.217 308 A C 2.017 179.413 177.584 -0.313 0.000 1.181 308 A CA 2.061 53.891 52.037 -0.346 0.000 0.623 308 A CB -0.942 17.872 19.000 -0.310 0.000 0.818 308 A HN 0.428 nan 8.150 nan 0.000 0.443 309 D N -0.269 119.999 120.400 -0.219 0.000 2.097 309 D HA -0.105 4.535 4.640 0.000 0.000 0.197 309 D C 1.891 178.063 176.300 -0.213 0.000 0.984 309 D CA 1.276 55.172 54.000 -0.174 0.000 0.826 309 D CB -0.303 40.434 40.800 -0.105 0.000 0.973 309 D HN 0.449 nan 8.370 nan 0.000 0.460 310 K N 0.162 120.413 120.400 -0.247 0.000 2.147 310 K HA -0.110 4.210 4.320 0.000 0.000 0.205 310 K C 2.109 178.492 176.600 -0.361 0.000 1.049 310 K CA 0.331 56.463 56.287 -0.257 0.000 0.936 310 K CB -0.101 32.273 32.500 -0.210 0.000 0.722 310 K HN 0.024 nan 8.250 nan 0.000 0.446 311 L N 0.760 121.644 121.223 -0.566 0.000 2.072 311 L HA -0.065 4.275 4.340 0.000 0.000 0.205 311 L C 2.186 178.840 176.870 -0.361 0.000 1.079 311 L CA 1.469 55.965 54.840 -0.573 0.000 0.752 311 L CB -0.475 41.066 42.059 -0.863 0.000 0.906 311 L HN 0.073 nan 8.230 nan 0.000 0.436 312 A N -0.465 122.172 122.820 -0.306 0.000 1.908 312 A HA -0.160 4.160 4.320 0.000 0.000 0.218 312 A C 2.444 179.919 177.584 -0.181 0.000 1.181 312 A CA 1.887 53.796 52.037 -0.214 0.000 0.627 312 A CB -1.162 17.733 19.000 -0.175 0.000 0.818 312 A HN 0.540 nan 8.150 nan 0.000 0.445 313 A N -0.093 122.623 122.820 -0.173 0.000 1.858 313 A HA 0.133 4.453 4.320 0.000 0.000 0.216 313 A C 2.563 180.060 177.584 -0.145 0.000 1.190 313 A CA 2.349 54.303 52.037 -0.138 0.000 0.617 313 A CB -1.220 17.708 19.000 -0.120 0.000 0.827 313 A HN 1.138 nan 8.150 nan 0.000 0.443 314 A N -0.606 122.112 122.820 -0.169 0.000 1.892 314 A HA -0.088 4.232 4.320 0.000 0.000 0.218 314 A C 2.262 179.728 177.584 -0.196 0.000 1.188 314 A CA 2.017 53.956 52.037 -0.165 0.000 0.631 314 A CB -1.191 17.704 19.000 -0.175 0.000 0.822 314 A HN 0.455 nan 8.150 nan 0.000 0.447 315 V N 0.923 120.689 119.914 -0.247 0.000 2.282 315 V HA -0.284 3.836 4.120 0.000 0.000 0.249 315 V C 2.989 178.942 176.094 -0.235 0.000 1.057 315 V CA 2.630 64.738 62.300 -0.320 0.000 1.032 315 V CB -0.828 30.808 31.823 -0.312 0.000 0.645 315 V HN 0.857 nan 8.190 nan 0.000 0.447 316 S N 0.176 115.776 115.700 -0.167 0.000 2.481 316 S HA -0.062 4.408 4.470 0.000 0.000 0.231 316 S C 1.831 176.369 174.600 -0.104 0.000 0.996 316 S CA 1.114 59.242 58.200 -0.120 0.000 0.942 316 S CB -0.409 62.733 63.200 -0.097 0.000 0.768 316 S HN 0.643 nan 8.310 nan 0.000 0.520 317 K N 0.892 121.225 120.400 -0.112 0.000 2.551 317 K HA 0.489 4.809 4.320 0.000 0.000 0.192 317 K C 0.546 177.093 176.600 -0.087 0.000 1.027 317 K CA 0.375 56.608 56.287 -0.089 0.000 1.059 317 K CB -0.836 31.613 32.500 -0.084 0.000 0.831 317 K HN 0.618 nan 8.250 nan 0.000 0.508 318 L N -0.053 121.104 121.223 -0.110 0.000 2.352 318 L HA 0.464 4.804 4.340 0.000 0.000 0.269 318 L C 0.198 177.024 176.870 -0.073 0.000 1.034 318 L CA -0.993 53.785 54.840 -0.102 0.000 0.806 318 L CB 2.041 44.001 42.059 -0.164 0.000 1.244 318 L HN 0.096 nan 8.230 nan 0.000 0.447 319 K N 0.849 121.218 120.400 -0.052 0.000 2.270 319 K HA 0.626 4.946 4.320 0.000 0.000 0.255 319 K C -1.593 174.982 176.600 -0.043 0.000 0.936 319 K CA -0.598 55.664 56.287 -0.041 0.000 0.809 319 K CB 2.069 34.552 32.500 -0.028 0.000 1.131 319 K HN 0.290 nan 8.250 nan 0.000 0.427 320 V N 2.823 122.688 119.914 -0.082 0.000 2.378 320 V HA 0.734 4.854 4.120 0.000 0.000 0.288 320 V C 0.215 176.169 176.094 -0.233 0.000 1.016 320 V CA -0.467 61.744 62.300 -0.149 0.000 0.840 320 V CB 1.120 32.739 31.823 -0.341 0.000 0.994 320 V HN 1.010 nan 8.190 nan 0.000 0.431 321 G N 2.850 111.570 108.800 -0.133 0.000 2.495 321 G HA2 0.644 4.604 3.960 0.000 0.000 0.294 321 G HA3 0.644 4.604 3.960 0.000 0.000 0.294 321 G C -0.580 174.359 174.900 0.065 0.000 1.397 321 G CA -0.349 44.627 45.100 -0.206 0.000 0.790 321 G HN 0.858 nan 8.290 nan 0.000 0.486 322 R N -0.568 119.974 120.500 0.070 0.000 2.585 322 R HA 0.506 4.846 4.340 0.000 0.000 0.275 322 R C 1.718 178.093 176.300 0.125 0.000 1.018 322 R CA 1.064 57.280 56.100 0.194 0.000 1.072 322 R CB -0.307 30.068 30.300 0.125 0.000 0.953 322 R HN 2.151 nan 8.270 nan 0.000 0.419 323 G N 0.165 109.041 108.800 0.127 0.000 2.479 323 G HA2 -0.274 3.686 3.960 0.000 0.000 0.220 323 G HA3 -0.274 3.686 3.960 0.000 0.000 0.220 323 G C 1.511 176.446 174.900 0.060 0.000 1.115 323 G CA 1.614 46.765 45.100 0.085 0.000 0.757 323 G HN 0.971 nan 8.290 nan 0.000 0.560 324 T N -1.951 112.635 114.554 0.054 0.000 3.081 324 T HA 0.167 4.517 4.350 0.000 0.000 0.255 324 T C 0.854 175.572 174.700 0.030 0.000 1.113 324 T CA 0.175 62.297 62.100 0.038 0.000 1.082 324 T CB 0.208 69.095 68.868 0.032 0.000 0.939 324 T HN 0.383 nan 8.240 nan 0.000 0.506 325 E N 1.989 122.208 120.200 0.031 0.000 2.289 325 E HA 0.269 4.619 4.350 0.000 0.000 0.278 325 E C -0.729 175.881 176.600 0.017 0.000 1.032 325 E CA -0.378 56.033 56.400 0.019 0.000 0.854 325 E CB 0.718 30.424 29.700 0.010 0.000 1.046 325 E HN 0.221 nan 8.360 nan 0.000 0.409 326 S N 2.261 117.968 115.700 0.011 0.000 2.562 326 S HA 0.312 4.782 4.470 0.000 0.000 0.281 326 S C 0.997 175.601 174.600 0.006 0.000 1.333 326 S CA 0.397 58.603 58.200 0.010 0.000 1.052 326 S CB 1.041 64.245 63.200 0.007 0.000 0.884 326 S HN 0.872 nan 8.310 nan 0.000 0.506 327 G N 1.360 110.165 108.800 0.008 0.000 2.234 327 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 327 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 327 G C 0.244 175.146 174.900 0.004 0.000 0.987 327 G CA -0.035 45.068 45.100 0.004 0.000 0.625 327 G HN 1.251 nan 8.290 nan 0.000 0.532 328 A N 0.489 123.315 122.820 0.010 0.000 2.488 328 A HA 0.644 4.964 4.320 0.000 0.000 0.249 328 A C 1.372 178.972 177.584 0.027 0.000 1.083 328 A CA 1.629 53.675 52.037 0.014 0.000 0.768 328 A CB 0.314 19.329 19.000 0.024 0.000 1.017 328 A HN 1.462 nan 8.150 nan 0.000 0.496 329 T N -0.220 114.349 114.554 0.024 0.000 3.016 329 T HA 0.405 4.755 4.350 0.000 0.000 0.271 329 T C 0.029 174.762 174.700 0.055 0.000 0.968 329 T CA 0.054 62.174 62.100 0.033 0.000 0.891 329 T CB -0.327 68.549 68.868 0.014 0.000 1.149 329 T HN 0.367 nan 8.240 nan 0.000 0.524 330 L N 2.026 123.287 121.223 0.063 0.000 2.415 330 L HA 0.706 5.046 4.340 0.000 0.000 0.268 330 L C 0.784 177.752 176.870 0.163 0.000 0.984 330 L CA -1.131 53.771 54.840 0.102 0.000 0.853 330 L CB 1.764 43.875 42.059 0.086 0.000 1.215 330 L HN 0.289 nan 8.230 nan 0.000 0.419 331 G N 3.412 112.303 108.800 0.151 0.000 2.489 331 G HA2 0.540 4.500 3.960 0.000 0.000 0.271 331 G HA3 0.540 4.500 3.960 0.000 0.000 0.271 331 G C -2.686 172.209 174.900 -0.008 0.000 1.427 331 G CA -0.762 44.438 45.100 0.168 0.000 1.057 331 G HN 0.321 nan 8.290 nan 0.000 0.532 332 P HA 0.362 nan 4.420 nan 0.000 0.287 332 P C -0.613 176.508 177.300 -0.299 0.000 1.279 332 P CA -0.788 61.840 63.100 -0.787 0.000 0.867 332 P CB 1.501 32.335 31.700 -1.444 0.000 1.127 333 L N 2.248 123.355 121.223 -0.194 0.000 2.461 333 L HA 0.025 4.365 4.340 0.000 0.000 0.272 333 L C 2.147 178.908 176.870 -0.183 0.000 1.197 333 L CA 0.066 54.842 54.840 -0.107 0.000 0.836 333 L CB -0.775 41.243 42.059 -0.068 0.000 1.105 333 L HN 0.409 nan 8.230 nan 0.000 0.477 334 I N 2.180 122.613 120.570 -0.229 0.000 2.361 334 I HA -0.174 3.996 4.170 0.000 0.000 0.251 334 I C 0.962 176.876 176.117 -0.339 0.000 1.133 334 I CA 0.967 62.048 61.300 -0.364 0.000 1.413 334 I CB -0.252 37.263 38.000 -0.809 0.000 1.073 334 I HN 0.941 nan 8.210 nan 0.000 0.424 335 N N -1.823 116.696 118.700 -0.302 0.000 3.106 335 N HA 0.038 4.778 4.740 0.000 0.000 0.253 335 N C 0.444 175.858 175.510 -0.160 0.000 1.506 335 N CA -0.520 52.391 53.050 -0.232 0.000 0.876 335 N CB 0.447 38.763 38.487 -0.284 0.000 1.452 335 N HN -0.184 nan 8.380 nan 0.000 0.542 336 E N 0.209 120.333 120.200 -0.126 0.000 2.150 336 E HA -0.001 4.349 4.350 0.000 0.000 0.193 336 E C 1.524 178.074 176.600 -0.083 0.000 0.985 336 E CA 1.262 57.612 56.400 -0.082 0.000 0.814 336 E CB -0.201 29.455 29.700 -0.073 0.000 0.752 336 E HN 0.640 nan 8.360 nan 0.000 0.466 337 A N 0.779 123.534 122.820 -0.107 0.000 1.968 337 A HA 0.022 4.342 4.320 0.000 0.000 0.217 337 A C 2.282 179.808 177.584 -0.097 0.000 1.169 337 A CA 1.422 53.403 52.037 -0.094 0.000 0.638 337 A CB -0.299 18.641 19.000 -0.100 0.000 0.812 337 A HN 0.247 nan 8.150 nan 0.000 0.446 338 A N -0.638 122.109 122.820 -0.121 0.000 2.168 338 A HA 0.200 4.520 4.320 0.000 0.000 0.215 338 A C 1.959 179.469 177.584 -0.124 0.000 1.152 338 A CA 1.390 53.364 52.037 -0.104 0.000 0.716 338 A CB -0.407 18.529 19.000 -0.105 0.000 0.794 338 A HN 0.318 nan 8.150 nan 0.000 0.465 339 V N -0.207 119.639 119.914 -0.114 0.000 2.426 339 V HA -0.049 4.071 4.120 0.000 0.000 0.242 339 V C 2.975 178.996 176.094 -0.122 0.000 1.036 339 V CA 1.982 64.206 62.300 -0.128 0.000 1.044 339 V CB -0.814 31.000 31.823 -0.015 0.000 0.688 339 V HN 0.564 nan 8.190 nan 0.000 0.462 340 K N 0.313 120.671 120.400 -0.069 0.000 2.515 340 K HA -0.085 4.235 4.320 0.000 0.000 0.196 340 K C 1.987 178.554 176.600 -0.055 0.000 1.038 340 K CA 1.461 57.724 56.287 -0.040 0.000 0.967 340 K CB -0.477 32.009 32.500 -0.024 0.000 0.780 340 K HN 0.506 nan 8.250 nan 0.000 0.483 341 K N -0.307 120.030 120.400 -0.105 0.000 2.141 341 K HA 0.045 4.365 4.320 0.000 0.000 0.202 341 K C 1.926 178.405 176.600 -0.202 0.000 1.045 341 K CA 0.895 57.095 56.287 -0.145 0.000 0.971 341 K CB 0.179 32.577 32.500 -0.171 0.000 0.795 341 K HN 0.146 nan 8.250 nan 0.000 0.459 342 V N 1.896 121.659 119.914 -0.252 0.000 2.515 342 V HA -0.175 3.945 4.120 0.000 0.000 0.250 342 V C 1.816 177.796 176.094 -0.190 0.000 1.058 342 V CA 1.614 63.732 62.300 -0.302 0.000 1.064 342 V CB -0.367 31.091 31.823 -0.609 0.000 0.675 342 V HN 0.333 nan 8.190 nan 0.000 0.461 343 E N 0.023 120.143 120.200 -0.132 0.000 2.072 343 E HA -0.195 4.155 4.350 0.000 0.000 0.191 343 E C 2.431 179.075 176.600 0.074 0.000 0.985 343 E CA 1.506 57.933 56.400 0.045 0.000 0.801 343 E CB -0.209 29.534 29.700 0.071 0.000 0.750 343 E HN 0.527 nan 8.360 nan 0.000 0.452 344 S N -0.334 115.401 115.700 0.059 0.000 2.371 344 S HA -0.152 4.318 4.470 0.000 0.000 0.224 344 S C 1.797 176.508 174.600 0.185 0.000 1.029 344 S CA 0.928 59.191 58.200 0.106 0.000 0.978 344 S CB -0.210 63.049 63.200 0.098 0.000 0.833 344 S HN 0.377 nan 8.310 nan 0.000 0.466 345 H N -0.215 118.868 119.070 0.021 0.000 2.457 345 H HA 0.053 4.609 4.556 0.000 0.000 0.294 345 H C 1.947 177.297 175.328 0.038 0.000 1.064 345 H CA 1.335 57.402 56.048 0.031 0.000 1.330 345 H CB 0.066 29.844 29.762 0.026 0.000 1.395 345 H HN 0.401 nan 8.280 nan 0.000 0.541 346 I N 0.364 121.032 120.570 0.164 0.000 2.193 346 I HA -0.174 3.996 4.170 0.000 0.000 0.240 346 I C 2.777 178.947 176.117 0.089 0.000 1.084 346 I CA 0.750 62.124 61.300 0.123 0.000 1.365 346 I CB -0.180 37.916 38.000 0.160 0.000 1.064 346 I HN 0.173 nan 8.210 nan 0.000 0.410 347 A N 0.211 123.085 122.820 0.091 0.000 2.032 347 A HA -0.322 3.998 4.320 0.000 0.000 0.221 347 A C 1.871 179.485 177.584 0.050 0.000 1.165 347 A CA 2.503 54.580 52.037 0.068 0.000 0.645 347 A CB -0.766 18.275 19.000 0.068 0.000 0.807 347 A HN 0.542 nan 8.150 nan 0.000 0.453 348 D N -0.840 119.589 120.400 0.048 0.000 2.107 348 D HA 0.106 4.746 4.640 0.000 0.000 0.204 348 D C 2.132 178.436 176.300 0.005 0.000 0.978 348 D CA 1.472 55.485 54.000 0.022 0.000 0.852 348 D CB -0.272 40.529 40.800 0.001 0.000 1.008 348 D HN 0.266 nan 8.370 nan 0.000 0.458 349 A N 0.796 123.614 122.820 -0.004 0.000 1.883 349 A HA -0.144 4.176 4.320 0.000 0.000 0.217 349 A C 2.316 179.897 177.584 -0.005 0.000 1.186 349 A CA 1.126 53.152 52.037 -0.018 0.000 0.624 349 A CB -0.999 17.985 19.000 -0.026 0.000 0.822 349 A HN 0.402 nan 8.150 nan 0.000 0.444 350 L N -0.861 120.370 121.223 0.014 0.000 2.043 350 L HA -0.252 4.088 4.340 0.000 0.000 0.212 350 L C 3.009 179.886 176.870 0.012 0.000 1.075 350 L CA 2.165 57.015 54.840 0.016 0.000 0.752 350 L CB -1.502 40.574 42.059 0.029 0.000 0.891 350 L HN 0.509 nan 8.230 nan 0.000 0.432 351 A N -0.347 122.481 122.820 0.014 0.000 1.872 351 A HA -0.177 4.143 4.320 0.000 0.000 0.214 351 A C 2.092 179.681 177.584 0.007 0.000 1.187 351 A CA 1.063 53.108 52.037 0.012 0.000 0.614 351 A CB -0.318 18.692 19.000 0.016 0.000 0.826 351 A HN 0.307 nan 8.150 nan 0.000 0.442 352 K N -0.716 119.686 120.400 0.003 0.000 2.611 352 K HA 0.204 4.524 4.320 0.000 0.000 0.193 352 K C 0.559 177.155 176.600 -0.006 0.000 1.026 352 K CA 0.435 56.722 56.287 -0.000 0.000 1.063 352 K CB -0.333 32.166 32.500 -0.003 0.000 0.839 352 K HN 0.698 nan 8.250 nan 0.000 0.505 353 G N 0.516 109.313 108.800 -0.005 0.000 2.270 353 G HA2 -0.184 3.776 3.960 0.000 0.000 0.224 353 G HA3 -0.184 3.776 3.960 0.000 0.000 0.224 353 G C -0.085 174.808 174.900 -0.012 0.000 1.079 353 G CA -0.095 45.001 45.100 -0.006 0.000 0.807 353 G HN 0.415 nan 8.290 nan 0.000 0.492 354 A N -0.625 122.188 122.820 -0.012 0.000 2.261 354 A HA 0.956 5.276 4.320 0.000 0.000 0.323 354 A C 0.454 178.037 177.584 -0.002 0.000 1.107 354 A CA 0.065 52.092 52.037 -0.016 0.000 0.883 354 A CB 1.516 20.498 19.000 -0.030 0.000 1.251 354 A HN 1.132 nan 8.150 nan 0.000 0.502 355 S N -0.995 114.706 115.700 0.001 0.000 2.605 355 S HA 0.553 5.023 4.470 0.000 0.000 0.308 355 S C -0.313 174.291 174.600 0.007 0.000 1.113 355 S CA -0.277 57.927 58.200 0.007 0.000 1.049 355 S CB 0.997 64.203 63.200 0.010 0.000 1.001 355 S HN 1.487 nan 8.310 nan 0.000 0.480 356 L N 5.113 126.343 121.223 0.011 0.000 2.369 356 L HA 0.530 4.870 4.340 0.000 0.000 0.279 356 L C 1.008 177.878 176.870 0.000 0.000 1.108 356 L CA 0.133 54.981 54.840 0.015 0.000 0.852 356 L CB -0.712 41.363 42.059 0.026 0.000 1.169 356 L HN 1.052 nan 8.230 nan 0.000 0.452 357 M N 1.734 121.329 119.600 -0.009 0.000 2.121 357 M HA 0.130 4.610 4.480 0.000 0.000 0.250 357 M C 1.203 177.486 176.300 -0.029 0.000 1.120 357 M CA 1.980 57.264 55.300 -0.027 0.000 1.141 357 M CB 0.564 33.135 32.600 -0.049 0.000 1.254 357 M HN 0.809 nan 8.290 nan 0.000 0.433 358 T N -0.385 114.150 114.554 -0.031 0.000 2.885 358 T HA 0.596 4.946 4.350 0.000 0.000 0.285 358 T C -0.129 174.571 174.700 -0.001 0.000 1.019 358 T CA 0.095 62.177 62.100 -0.030 0.000 1.010 358 T CB 1.316 70.150 68.868 -0.056 0.000 1.022 358 T HN 0.828 nan 8.240 nan 0.000 0.466 359 G N 2.041 110.836 108.800 -0.007 0.000 2.484 359 G HA2 0.317 4.277 3.960 0.000 0.000 0.225 359 G HA3 0.317 4.277 3.960 0.000 0.000 0.225 359 G C 0.806 175.708 174.900 0.004 0.000 1.250 359 G CA 0.649 45.754 45.100 0.010 0.000 0.926 359 G HN 2.306 nan 8.290 nan 0.000 0.581 360 G N -3.010 105.836 108.800 0.077 0.000 2.258 360 G HA2 0.439 4.399 3.960 0.000 0.000 0.233 360 G HA3 0.439 4.399 3.960 0.000 0.000 0.233 360 G C 0.809 175.726 174.900 0.028 0.000 1.006 360 G CA 1.790 46.962 45.100 0.119 0.000 0.620 360 G HN 2.541 nan 8.290 nan 0.000 0.511 361 K N 0.652 120.874 120.400 -0.296 0.000 2.328 361 K HA 0.862 5.182 4.320 0.000 0.000 0.246 361 K C 0.351 176.381 176.600 -0.950 0.000 0.955 361 K CA -0.303 55.749 56.287 -0.392 0.000 0.817 361 K CB 0.654 33.037 32.500 -0.195 0.000 1.208 361 K HN 0.668 nan 8.250 nan 0.000 0.432 362 R N 2.135 122.301 120.500 -0.558 0.000 2.538 362 R HA 0.032 4.372 4.340 0.000 0.000 0.282 362 R C 0.540 176.730 176.300 -0.184 0.000 1.009 362 R CA -0.333 55.586 56.100 -0.302 0.000 1.063 362 R CB 0.011 30.359 30.300 0.079 0.000 0.945 362 R HN 0.772 nan 8.270 nan 0.000 0.414 363 H N 1.393 120.373 119.070 -0.151 0.000 2.871 363 H HA -0.033 4.523 4.556 0.000 0.000 0.377 363 H C 0.574 175.883 175.328 -0.032 0.000 1.307 363 H CA 0.658 56.667 56.048 -0.065 0.000 1.449 363 H CB 0.930 30.724 29.762 0.054 0.000 1.452 363 H HN 0.742 nan 8.280 nan 0.000 0.619 364 A N 3.206 125.717 122.820 -0.516 0.000 2.307 364 A HA 0.182 4.502 4.320 0.000 0.000 0.218 364 A C 2.060 179.574 177.584 -0.117 0.000 1.228 364 A CA 0.663 52.529 52.037 -0.285 0.000 0.857 364 A CB -0.598 18.203 19.000 -0.332 0.000 0.897 364 A HN 0.577 nan 8.150 nan 0.000 0.495 365 L N -2.277 118.991 121.223 0.075 0.000 2.529 365 L HA 0.523 4.863 4.340 0.000 0.000 0.223 365 L C 1.647 178.647 176.870 0.216 0.000 1.113 365 L CA 1.183 56.085 54.840 0.104 0.000 0.861 365 L CB -1.820 40.174 42.059 -0.108 0.000 1.012 365 L HN 1.430 nan 8.230 nan 0.000 0.461 366 G N -1.732 107.199 108.800 0.219 0.000 2.512 366 G HA2 -0.228 3.732 3.960 0.000 0.000 0.240 366 G HA3 -0.228 3.732 3.960 0.000 0.000 0.240 366 G C 0.443 175.512 174.900 0.281 0.000 1.246 366 G CA 0.756 45.936 45.100 0.134 0.000 0.919 366 G HN 1.543 nan 8.290 nan 0.000 0.577 367 H N -1.555 117.618 119.070 0.173 0.000 1.452 367 H HA -0.279 4.277 4.556 0.000 0.000 0.090 367 H C 1.993 177.357 175.328 0.059 0.000 0.613 367 H CA 3.360 59.476 56.048 0.112 0.000 1.901 367 H CB -1.318 28.528 29.762 0.141 0.000 2.257 367 H HN 1.838 nan 8.280 nan 0.000 0.961 368 G N -0.660 108.225 108.800 0.142 0.000 3.969 368 G HA2 0.387 4.347 3.960 0.000 0.000 0.291 368 G HA3 0.387 4.347 3.960 0.000 0.000 0.291 368 G C -0.776 174.083 174.900 -0.067 0.000 1.016 368 G CA -0.304 44.786 45.100 -0.018 0.000 0.819 368 G HN 0.143 nan 8.290 nan 0.000 0.493 369 F N 0.756 120.815 119.950 0.182 0.000 2.410 369 F HA 0.693 5.220 4.527 0.000 0.000 0.348 369 F C -0.177 175.786 175.800 0.272 0.000 1.106 369 F CA -0.873 57.225 58.000 0.164 0.000 1.163 369 F CB 1.150 40.215 39.000 0.109 0.000 1.129 369 F HN 0.003 nan 8.300 nan 0.000 0.516 370 F N 1.425 121.520 119.950 0.243 0.000 2.613 370 F HA 0.399 4.926 4.527 0.000 0.000 0.310 370 F C -0.476 175.425 175.800 0.168 0.000 1.085 370 F CA -0.937 57.180 58.000 0.195 0.000 0.945 370 F CB 1.564 40.643 39.000 0.131 0.000 1.298 370 F HN 0.422 nan 8.300 nan 0.000 0.455 371 E N 4.711 124.905 120.200 -0.010 0.000 2.366 371 E HA 0.248 4.598 4.350 0.000 0.000 0.266 371 E C -2.391 174.341 176.600 0.220 0.000 1.051 371 E CA -1.748 54.699 56.400 0.078 0.000 0.884 371 E CB 0.455 30.132 29.700 -0.039 0.000 1.006 371 E HN 0.168 nan 8.360 nan 0.000 0.417 372 P HA 0.004 nan 4.420 nan 0.000 0.271 372 P C -0.926 176.464 177.300 0.151 0.000 1.220 372 P CA -0.051 63.147 63.100 0.163 0.000 0.768 372 P CB 0.740 32.321 31.700 -0.198 0.000 0.848 373 T N 2.326 117.038 114.554 0.263 0.000 2.841 373 T HA 0.343 4.693 4.350 0.000 0.000 0.285 373 T C -0.264 174.528 174.700 0.153 0.000 0.991 373 T CA -0.471 61.742 62.100 0.188 0.000 0.966 373 T CB 1.236 70.252 68.868 0.247 0.000 0.962 373 T HN 0.055 nan 8.240 nan 0.000 0.438 374 V N 4.633 124.585 119.914 0.062 0.000 2.398 374 V HA 0.489 4.609 4.120 0.000 0.000 0.286 374 V C -0.329 175.767 176.094 0.004 0.000 1.026 374 V CA -0.763 61.541 62.300 0.007 0.000 0.868 374 V CB 1.432 33.208 31.823 -0.078 0.000 0.982 374 V HN 0.734 nan 8.190 nan 0.000 0.443 375 L N 5.062 126.287 121.223 0.003 0.000 2.313 375 L HA 0.580 4.920 4.340 0.000 0.000 0.283 375 L C 0.413 177.269 176.870 -0.023 0.000 1.013 375 L CA -0.315 54.521 54.840 -0.007 0.000 0.816 375 L CB 2.269 44.325 42.059 -0.005 0.000 1.236 375 L HN 0.785 nan 8.230 nan 0.000 0.419 376 T N -1.304 113.248 114.554 -0.002 0.000 2.928 376 T HA 0.581 4.931 4.350 0.000 0.000 0.284 376 T C 0.799 175.519 174.700 0.033 0.000 1.008 376 T CA -0.010 62.123 62.100 0.055 0.000 1.057 376 T CB 1.706 70.622 68.868 0.080 0.000 1.018 376 T HN 0.918 nan 8.240 nan 0.000 0.493 377 G N 0.810 109.647 108.800 0.062 0.000 2.212 377 G HA2 -0.161 3.799 3.960 0.000 0.000 0.255 377 G HA3 -0.161 3.799 3.960 0.000 0.000 0.255 377 G C -0.139 174.697 174.900 -0.107 0.000 1.062 377 G CA -0.220 44.865 45.100 -0.024 0.000 0.815 377 G HN 1.085 nan 8.290 nan 0.000 0.497 378 V N 0.212 119.997 119.914 -0.214 0.000 2.389 378 V HA 0.690 4.810 4.120 0.000 0.000 0.264 378 V C 0.796 176.583 176.094 -0.512 0.000 1.049 378 V CA 0.510 62.532 62.300 -0.463 0.000 0.932 378 V CB 0.639 31.984 31.823 -0.797 0.000 1.011 378 V HN 0.868 nan 8.190 nan 0.000 0.475 379 K N 6.220 126.486 120.400 -0.223 0.000 2.123 379 K HA 0.651 4.971 4.320 0.000 0.000 0.259 379 K C -2.325 174.397 176.600 0.204 0.000 0.960 379 K CA -1.975 54.324 56.287 0.020 0.000 0.872 379 K CB 0.695 33.211 32.500 0.028 0.000 1.079 379 K HN 0.509 nan 8.250 nan 0.000 0.440 380 P HA -0.037 nan 4.420 nan 0.000 0.259 380 P C -0.147 177.273 177.300 0.200 0.000 1.307 380 P CA 0.663 63.993 63.100 0.383 0.000 0.768 380 P CB 0.204 32.076 31.700 0.287 0.000 1.199 381 D N -2.504 117.980 120.400 0.140 0.000 2.369 381 D HA 0.037 4.677 4.640 0.000 0.000 0.211 381 D C 0.511 176.848 176.300 0.061 0.000 1.077 381 D CA 0.190 54.240 54.000 0.083 0.000 0.842 381 D CB -0.062 40.773 40.800 0.059 0.000 0.947 381 D HN 0.157 nan 8.370 nan 0.000 0.509 382 M N 0.706 120.344 119.600 0.064 0.000 2.368 382 M HA 0.144 4.624 4.480 0.000 0.000 0.311 382 M C 0.700 176.999 176.300 -0.002 0.000 1.168 382 M CA -0.658 54.651 55.300 0.014 0.000 1.044 382 M CB 1.164 33.750 32.600 -0.024 0.000 1.506 382 M HN -0.363 nan 8.290 nan 0.000 0.475 383 D N 0.642 120.998 120.400 -0.074 0.000 2.149 383 D HA -0.129 4.511 4.640 0.000 0.000 0.198 383 D C 1.680 177.835 176.300 -0.242 0.000 0.990 383 D CA 1.100 55.024 54.000 -0.126 0.000 0.839 383 D CB -0.072 40.637 40.800 -0.152 0.000 0.948 383 D HN 0.375 nan 8.370 nan 0.000 0.460 384 V N 0.268 119.962 119.914 -0.367 0.000 3.241 384 V HA -0.011 4.109 4.120 0.000 0.000 0.269 384 V C 1.687 177.840 176.094 0.098 0.000 1.151 384 V CA 1.411 63.564 62.300 -0.246 0.000 1.158 384 V CB -0.371 31.355 31.823 -0.160 0.000 0.764 384 V HN 0.170 nan 8.190 nan 0.000 0.508 385 A N -0.888 122.018 122.820 0.144 0.000 2.218 385 A HA 0.326 4.646 4.320 0.000 0.000 0.209 385 A C 2.050 179.726 177.584 0.153 0.000 1.168 385 A CA 1.110 53.276 52.037 0.216 0.000 0.804 385 A CB -0.221 18.941 19.000 0.269 0.000 0.834 385 A HN 0.582 nan 8.150 nan 0.000 0.482 386 K N 0.000 120.486 120.400 0.143 0.000 2.362 386 K HA 0.322 4.642 4.320 0.000 0.000 0.203 386 K C 0.631 177.388 176.600 0.261 0.000 1.198 386 K CA 0.677 57.071 56.287 0.179 0.000 0.908 386 K CB -0.055 32.526 32.500 0.135 0.000 1.236 386 K HN 0.567 nan 8.250 nan 0.000 0.487 387 E N 0.769 121.108 120.200 0.233 0.000 2.283 387 E HA 0.297 4.647 4.350 0.000 0.000 0.271 387 E C -1.011 175.726 176.600 0.228 0.000 1.031 387 E CA -0.575 55.983 56.400 0.263 0.000 0.868 387 E CB 1.606 31.507 29.700 0.334 0.000 1.094 387 E HN 0.431 nan 8.360 nan 0.000 0.401 388 E N 0.387 120.643 120.200 0.093 0.000 2.354 388 E HA 0.052 4.402 4.350 0.000 0.000 0.269 388 E C 0.219 176.838 176.600 0.032 0.000 1.036 388 E CA 0.002 56.367 56.400 -0.058 0.000 0.876 388 E CB 0.998 30.468 29.700 -0.384 0.000 1.009 388 E HN 0.470 nan 8.360 nan 0.000 0.416 389 T N 2.401 116.940 114.554 -0.025 0.000 3.009 389 T HA -0.025 4.325 4.350 0.000 0.000 0.258 389 T C 0.332 175.056 174.700 0.040 0.000 1.063 389 T CA -0.088 61.976 62.100 -0.060 0.000 1.139 389 T CB -0.108 68.794 68.868 0.056 0.000 0.890 389 T HN 0.571 nan 8.240 nan 0.000 0.471 390 F N 1.290 121.223 119.950 -0.029 0.000 3.090 390 F HA -0.131 4.396 4.527 0.000 0.000 0.282 390 F C 1.025 176.824 175.800 -0.003 0.000 0.923 390 F CA 0.477 58.476 58.000 -0.002 0.000 0.977 390 F CB -1.648 37.379 39.000 0.045 0.000 0.954 390 F HN 0.379 nan 8.300 nan 0.000 0.695 391 G N -1.100 107.746 108.800 0.078 0.000 3.086 391 G HA2 0.749 4.709 3.960 0.000 0.000 0.282 391 G HA3 0.749 4.709 3.960 0.000 0.000 0.282 391 G C -2.982 171.944 174.900 0.044 0.000 1.343 391 G CA -0.868 44.258 45.100 0.043 0.000 0.895 391 G HN -0.191 nan 8.290 nan 0.000 0.557 392 P HA 0.368 nan 4.420 nan 0.000 0.206 392 P C -0.965 176.485 177.300 0.250 0.000 1.854 392 P CA -0.262 62.974 63.100 0.227 0.000 0.969 392 P CB 0.419 32.366 31.700 0.411 0.000 1.843 393 L N 0.871 122.159 121.223 0.108 0.000 2.325 393 L HA 0.756 5.096 4.340 0.000 0.000 0.281 393 L C -0.526 176.427 176.870 0.140 0.000 1.004 393 L CA -0.720 54.208 54.840 0.148 0.000 0.823 393 L CB 1.690 43.829 42.059 0.133 0.000 1.236 393 L HN 0.077 nan 8.230 nan 0.000 0.415 394 A N 7.147 130.077 122.820 0.184 0.000 2.280 394 A HA 0.787 5.107 4.320 0.000 0.000 0.320 394 A C -2.640 175.049 177.584 0.175 0.000 1.366 394 A CA -1.365 50.814 52.037 0.238 0.000 0.938 394 A CB -0.072 18.957 19.000 0.048 0.000 1.157 394 A HN 0.458 nan 8.150 nan 0.000 0.536 395 P HA 0.469 nan 4.420 nan 0.000 0.294 395 P C -0.934 176.417 177.300 0.085 0.000 1.294 395 P CA -0.279 62.856 63.100 0.058 0.000 0.827 395 P CB 1.212 32.913 31.700 0.003 0.000 0.992 396 L N 4.105 125.294 121.223 -0.057 0.000 2.301 396 L HA 0.448 4.788 4.340 0.000 0.000 0.278 396 L C -0.054 176.819 176.870 0.005 0.000 1.022 396 L CA -0.601 54.286 54.840 0.079 0.000 0.854 396 L CB -0.060 42.039 42.059 0.067 0.000 1.226 396 L HN 0.232 nan 8.230 nan 0.000 0.429 397 F N 2.717 122.660 119.950 -0.012 0.000 2.384 397 F HA 0.477 5.004 4.527 0.000 0.000 0.338 397 F C 0.869 176.760 175.800 0.152 0.000 1.103 397 F CA -0.643 57.298 58.000 -0.099 0.000 1.157 397 F CB 0.872 39.448 39.000 -0.708 0.000 1.167 397 F HN 0.467 nan 8.300 nan 0.000 0.529 398 R N 3.271 123.935 120.500 0.273 0.000 2.474 398 R HA 0.640 4.980 4.340 0.000 0.000 0.295 398 R C -1.705 174.758 176.300 0.271 0.000 0.980 398 R CA -0.496 55.684 56.100 0.134 0.000 0.934 398 R CB 1.291 31.417 30.300 -0.290 0.000 1.101 398 R HN 0.684 nan 8.270 nan 0.000 0.469 399 F N -0.264 119.723 119.950 0.063 0.000 2.556 399 F HA 0.704 5.231 4.527 0.000 0.000 0.314 399 F C 0.020 175.706 175.800 -0.190 0.000 1.106 399 F CA -0.794 57.202 58.000 -0.008 0.000 0.911 399 F CB 1.946 40.959 39.000 0.022 0.000 1.190 399 F HN 0.637 nan 8.300 nan 0.000 0.448 400 A N 2.282 125.087 122.820 -0.025 0.000 1.935 400 A HA 0.368 4.688 4.320 0.000 0.000 0.214 400 A C 0.834 178.405 177.584 -0.022 0.000 1.178 400 A CA 1.176 53.134 52.037 -0.131 0.000 0.640 400 A CB -0.706 18.277 19.000 -0.028 0.000 0.825 400 A HN 1.004 nan 8.150 nan 0.000 0.447 401 S N -2.243 113.582 115.700 0.208 0.000 2.697 401 S HA 0.451 4.921 4.470 0.000 0.000 0.289 401 S C 0.426 175.274 174.600 0.413 0.000 1.149 401 S CA 0.116 58.497 58.200 0.302 0.000 0.850 401 S CB 1.469 64.776 63.200 0.179 0.000 1.151 401 S HN 0.322 nan 8.310 nan 0.000 0.491 402 E N 0.674 121.112 120.200 0.397 0.000 2.031 402 E HA -0.217 4.133 4.350 0.000 0.000 0.193 402 E C 1.581 178.270 176.600 0.149 0.000 0.994 402 E CA 1.494 58.120 56.400 0.378 0.000 0.800 402 E CB -0.193 29.669 29.700 0.271 0.000 0.752 402 E HN 0.751 nan 8.360 nan 0.000 0.447 403 E N 0.657 120.916 120.200 0.099 0.000 2.481 403 E HA -0.167 4.183 4.350 0.000 0.000 0.195 403 E C 1.661 178.263 176.600 0.003 0.000 1.047 403 E CA 0.444 56.863 56.400 0.032 0.000 0.867 403 E CB 0.070 29.789 29.700 0.030 0.000 0.858 403 E HN 0.415 nan 8.360 nan 0.000 0.513 404 E N 0.830 121.048 120.200 0.030 0.000 2.028 404 E HA -0.163 4.187 4.350 0.000 0.000 0.190 404 E C 2.464 179.017 176.600 -0.078 0.000 0.984 404 E CA 0.975 57.382 56.400 0.011 0.000 0.800 404 E CB -0.184 29.560 29.700 0.075 0.000 0.758 404 E HN 0.332 nan 8.360 nan 0.000 0.448 405 L N 0.958 122.087 121.223 -0.156 0.000 2.013 405 L HA -0.198 4.142 4.340 0.000 0.000 0.212 405 L C 2.376 178.976 176.870 -0.449 0.000 1.073 405 L CA 1.509 56.068 54.840 -0.469 0.000 0.753 405 L CB -0.425 41.037 42.059 -0.994 0.000 0.890 405 L HN 0.013 nan 8.230 nan 0.000 0.432 406 V N 0.267 120.017 119.914 -0.274 0.000 2.380 406 V HA -0.342 3.778 4.120 0.000 0.000 0.251 406 V C 2.848 178.833 176.094 -0.182 0.000 1.063 406 V CA 2.398 64.578 62.300 -0.201 0.000 1.055 406 V CB -0.915 30.848 31.823 -0.100 0.000 0.657 406 V HN 0.558 nan 8.190 nan 0.000 0.455 407 R N -0.877 119.533 120.500 -0.151 0.000 2.148 407 R HA -0.066 4.274 4.340 0.000 0.000 0.223 407 R C 2.082 178.293 176.300 -0.148 0.000 1.088 407 R CA 0.893 56.923 56.100 -0.116 0.000 0.985 407 R CB -0.006 30.253 30.300 -0.068 0.000 0.880 407 R HN 0.333 nan 8.270 nan 0.000 0.451 408 L N 0.190 121.267 121.223 -0.244 0.000 2.049 408 L HA 0.049 4.389 4.340 0.000 0.000 0.203 408 L C 2.498 179.125 176.870 -0.404 0.000 1.074 408 L CA 1.880 56.540 54.840 -0.300 0.000 0.749 408 L CB -1.520 40.300 42.059 -0.398 0.000 0.907 408 L HN 0.155 nan 8.230 nan 0.000 0.439 409 A N -0.253 122.202 122.820 -0.608 0.000 2.019 409 A HA -0.186 4.134 4.320 0.000 0.000 0.219 409 A C 1.896 179.435 177.584 -0.073 0.000 1.164 409 A CA 1.633 53.407 52.037 -0.438 0.000 0.644 409 A CB -0.473 18.228 19.000 -0.499 0.000 0.805 409 A HN 0.487 nan 8.150 nan 0.000 0.449 410 N N -0.124 118.522 118.700 -0.090 0.000 2.353 410 N HA 0.001 4.741 4.740 0.000 0.000 0.185 410 N C -0.252 175.210 175.510 -0.078 0.000 1.098 410 N CA 0.368 53.388 53.050 -0.050 0.000 0.872 410 N CB -0.078 38.369 38.487 -0.067 0.000 0.970 410 N HN 0.364 nan 8.380 nan 0.000 0.467 411 D N 0.682 121.037 120.400 -0.075 0.000 2.688 411 D HA 0.101 4.741 4.640 0.000 0.000 0.228 411 D C -0.674 175.601 176.300 -0.042 0.000 1.116 411 D CA 0.333 54.298 54.000 -0.058 0.000 1.023 411 D CB -0.146 40.629 40.800 -0.042 0.000 1.100 411 D HN -0.088 nan 8.370 nan 0.000 0.487 412 T N -1.011 113.498 114.554 -0.075 0.000 2.830 412 T HA 0.434 4.784 4.350 0.000 0.000 0.322 412 T C 0.827 175.390 174.700 -0.227 0.000 1.501 412 T CA 0.089 62.131 62.100 -0.096 0.000 1.036 412 T CB 0.998 69.882 68.868 0.026 0.000 1.379 412 T HN 0.002 nan 8.240 nan 0.000 0.493 413 E N 1.712 121.654 120.200 -0.429 0.000 2.274 413 E HA 0.227 4.577 4.350 0.000 0.000 0.194 413 E C 0.162 176.413 176.600 -0.582 0.000 0.996 413 E CA 0.997 57.052 56.400 -0.574 0.000 0.840 413 E CB -0.358 28.888 29.700 -0.758 0.000 0.772 413 E HN 0.497 nan 8.360 nan 0.000 0.491 414 F N -0.934 118.943 119.950 -0.121 0.000 2.378 414 F HA 0.620 5.147 4.527 0.000 0.000 0.325 414 F C 1.292 176.882 175.800 -0.349 0.000 1.097 414 F CA -0.749 57.156 58.000 -0.159 0.000 1.079 414 F CB 2.255 41.206 39.000 -0.082 0.000 1.240 414 F HN -0.038 nan 8.300 nan 0.000 0.519 415 G N 1.678 110.358 108.800 -0.200 0.000 4.613 415 G HA2 0.377 4.337 3.960 0.000 0.000 0.232 415 G HA3 0.377 4.337 3.960 0.000 0.000 0.232 415 G C -0.499 174.200 174.900 -0.336 0.000 0.947 415 G CA -0.082 44.651 45.100 -0.613 0.000 0.715 415 G HN 0.558 nan 8.290 nan 0.000 0.518 416 L N 1.024 122.184 121.223 -0.105 0.000 2.562 416 L HA 0.885 5.225 4.340 0.000 0.000 0.188 416 L C 1.160 178.052 176.870 0.036 0.000 1.342 416 L CA 1.010 55.821 54.840 -0.048 0.000 1.104 416 L CB -0.006 42.012 42.059 -0.068 0.000 1.257 416 L HN 0.290 nan 8.230 nan 0.000 0.632 417 A N -0.665 122.160 122.820 0.008 0.000 2.342 417 A HA 0.843 5.163 4.320 0.000 0.000 0.323 417 A C -1.073 176.221 177.584 -0.483 0.000 1.125 417 A CA 0.030 51.921 52.037 -0.243 0.000 0.785 417 A CB 0.969 19.780 19.000 -0.315 0.000 1.221 417 A HN 0.564 nan 8.150 nan 0.000 0.463 418 A N 1.384 123.724 122.820 -0.801 0.000 2.414 418 A HA 0.792 5.112 4.320 0.000 0.000 0.306 418 A C -1.531 175.514 177.584 -0.898 0.000 1.054 418 A CA -0.439 51.022 52.037 -0.960 0.000 0.724 418 A CB 0.880 19.112 19.000 -1.280 0.000 1.267 418 A HN 0.799 nan 8.150 nan 0.000 0.418 419 Y N 0.564 120.684 120.300 -0.300 0.000 2.429 419 Y HA 0.697 5.247 4.550 0.000 0.000 0.342 419 Y C -0.348 175.287 175.900 -0.441 0.000 1.004 419 Y CA -1.043 56.858 58.100 -0.333 0.000 1.075 419 Y CB 2.142 40.431 38.460 -0.284 0.000 1.214 419 Y HN 0.605 nan 8.280 nan 0.000 0.455 420 L N 3.343 124.430 121.223 -0.226 0.000 2.482 420 L HA 0.530 4.870 4.340 0.000 0.000 0.269 420 L C -2.306 174.488 176.870 -0.127 0.000 0.967 420 L CA -0.951 53.796 54.840 -0.155 0.000 0.851 420 L CB 0.903 42.888 42.059 -0.123 0.000 1.242 420 L HN 0.589 nan 8.230 nan 0.000 0.404 421 Y N 3.674 123.915 120.300 -0.099 0.000 2.356 421 Y HA 0.732 5.282 4.550 0.000 0.000 0.334 421 Y C 0.287 176.290 175.900 0.171 0.000 0.958 421 Y CA -0.082 58.033 58.100 0.025 0.000 1.196 421 Y CB 1.977 40.455 38.460 0.031 0.000 1.137 421 Y HN 0.715 nan 8.280 nan 0.000 0.485 422 S N 2.466 118.288 115.700 0.204 0.000 2.537 422 S HA 0.442 4.912 4.470 0.000 0.000 0.271 422 S C -0.115 174.525 174.600 0.068 0.000 1.148 422 S CA -0.777 57.521 58.200 0.164 0.000 0.868 422 S CB 1.448 64.686 63.200 0.063 0.000 1.115 422 S HN 0.706 nan 8.310 nan 0.000 0.461 423 R N 1.521 122.052 120.500 0.053 0.000 2.290 423 R HA 0.308 4.648 4.340 0.000 0.000 0.197 423 R C -0.351 175.954 176.300 0.007 0.000 0.913 423 R CA 0.304 56.427 56.100 0.037 0.000 1.040 423 R CB -0.003 30.327 30.300 0.050 0.000 0.992 423 R HN 0.675 nan 8.270 nan 0.000 0.500 424 D N 0.188 120.573 120.400 -0.025 0.000 2.365 424 D HA 0.001 4.641 4.640 0.000 0.000 0.237 424 D C 1.524 177.810 176.300 -0.024 0.000 1.190 424 D CA -0.111 53.864 54.000 -0.042 0.000 0.867 424 D CB 0.435 41.186 40.800 -0.081 0.000 1.050 424 D HN -0.040 nan 8.370 nan 0.000 0.491 425 I N 3.922 124.483 120.570 -0.015 0.000 2.121 425 I HA -0.285 3.885 4.170 0.000 0.000 0.243 425 I C 1.594 177.707 176.117 -0.007 0.000 1.047 425 I CA 2.164 63.459 61.300 -0.009 0.000 1.308 425 I CB -0.579 37.366 38.000 -0.092 0.000 1.015 425 I HN 0.620 nan 8.210 nan 0.000 0.410 426 G N 0.177 108.942 108.800 -0.058 0.000 2.408 426 G HA2 -0.263 3.697 3.960 0.000 0.000 0.217 426 G HA3 -0.263 3.697 3.960 0.000 0.000 0.217 426 G C 1.844 176.745 174.900 0.002 0.000 1.150 426 G CA 0.641 45.716 45.100 -0.043 0.000 0.776 426 G HN 0.427 nan 8.290 nan 0.000 0.542 427 R N 0.008 120.475 120.500 -0.055 0.000 2.115 427 R HA 0.008 4.348 4.340 0.000 0.000 0.230 427 R C 2.517 178.757 176.300 -0.099 0.000 1.111 427 R CA 1.080 57.095 56.100 -0.142 0.000 0.976 427 R CB -0.239 29.878 30.300 -0.305 0.000 0.870 427 R HN 0.259 nan 8.270 nan 0.000 0.445 428 V N -0.170 119.745 119.914 0.001 0.000 2.237 428 V HA -0.246 3.874 4.120 0.000 0.000 0.245 428 V C 1.794 177.939 176.094 0.085 0.000 1.046 428 V CA 1.876 64.206 62.300 0.050 0.000 1.007 428 V CB -0.612 31.284 31.823 0.122 0.000 0.638 428 V HN 0.449 nan 8.190 nan 0.000 0.445 429 W N 0.126 121.379 121.300 -0.077 0.000 2.425 429 W HA -0.012 4.648 4.660 0.000 0.000 0.277 429 W C 2.698 179.182 176.519 -0.058 0.000 1.231 429 W CA 1.331 58.639 57.345 -0.062 0.000 1.248 429 W CB -0.339 29.090 29.460 -0.052 0.000 1.117 429 W HN 0.090 nan 8.180 nan 0.000 0.568 430 R N -0.275 120.313 120.500 0.147 0.000 2.093 430 R HA -0.074 4.266 4.340 0.000 0.000 0.224 430 R C 1.813 178.123 176.300 0.017 0.000 1.101 430 R CA 1.326 57.464 56.100 0.064 0.000 0.979 430 R CB -0.370 29.948 30.300 0.030 0.000 0.877 430 R HN 0.024 nan 8.270 nan 0.000 0.441 431 V N 0.756 120.671 119.914 0.001 0.000 2.346 431 V HA -0.115 4.005 4.120 0.000 0.000 0.244 431 V C 2.396 178.455 176.094 -0.058 0.000 1.037 431 V CA 1.700 63.992 62.300 -0.013 0.000 1.029 431 V CB -0.530 31.318 31.823 0.041 0.000 0.663 431 V HN 0.490 nan 8.190 nan 0.000 0.454 432 A N -0.086 122.678 122.820 -0.093 0.000 1.903 432 A HA -0.324 3.997 4.320 0.000 0.000 0.219 432 A C 2.146 179.652 177.584 -0.129 0.000 1.191 432 A CA 2.385 54.326 52.037 -0.159 0.000 0.638 432 A CB -0.569 18.267 19.000 -0.273 0.000 0.823 432 A HN 0.652 nan 8.150 nan 0.000 0.451 433 E N -0.710 119.435 120.200 -0.091 0.000 2.106 433 E HA -0.043 4.307 4.350 0.000 0.000 0.192 433 E C 2.288 178.860 176.600 -0.046 0.000 0.984 433 E CA 0.818 57.181 56.400 -0.062 0.000 0.806 433 E CB -0.247 29.444 29.700 -0.015 0.000 0.750 433 E HN 0.645 nan 8.360 nan 0.000 0.458 434 A N 1.227 124.023 122.820 -0.039 0.000 1.968 434 A HA -0.028 4.292 4.320 0.000 0.000 0.217 434 A C 1.257 178.820 177.584 -0.035 0.000 1.169 434 A CA 0.329 52.345 52.037 -0.035 0.000 0.638 434 A CB -0.340 18.640 19.000 -0.032 0.000 0.812 434 A HN 0.093 nan 8.150 nan 0.000 0.446 435 L N 1.386 122.588 121.223 -0.034 0.000 2.477 435 L HA 0.051 4.391 4.340 0.000 0.000 0.272 435 L C -0.092 176.832 176.870 0.090 0.000 1.157 435 L CA -0.066 54.792 54.840 0.029 0.000 0.889 435 L CB 0.423 42.459 42.059 -0.038 0.000 1.158 435 L HN 0.371 nan 8.230 nan 0.000 0.473 436 E N 4.329 124.580 120.200 0.085 0.000 1.892 436 E HA 0.210 4.560 4.350 0.000 0.000 0.271 436 E C -1.386 175.069 176.600 -0.241 0.000 1.146 436 E CA 0.066 56.418 56.400 -0.079 0.000 1.096 436 E CB 0.154 29.756 29.700 -0.164 0.000 1.155 436 E HN 0.324 nan 8.360 nan 0.000 0.458 437 Y N -1.393 118.822 120.300 -0.143 0.000 2.562 437 Y HA 0.337 4.887 4.550 0.000 0.000 0.345 437 Y C 1.285 177.078 175.900 -0.179 0.000 1.045 437 Y CA -1.016 56.986 58.100 -0.163 0.000 1.028 437 Y CB 1.811 40.153 38.460 -0.196 0.000 1.297 437 Y HN 0.285 nan 8.280 nan 0.000 0.463 438 G N 1.045 109.809 108.800 -0.059 0.000 2.396 438 G HA2 0.019 3.979 3.960 0.000 0.000 0.214 438 G HA3 0.019 3.979 3.960 0.000 0.000 0.214 438 G C 0.085 174.891 174.900 -0.155 0.000 1.166 438 G CA 0.465 45.483 45.100 -0.137 0.000 0.793 438 G HN 0.419 nan 8.290 nan 0.000 0.533 439 M N 0.726 120.225 119.600 -0.168 0.000 2.259 439 M HA 0.462 4.942 4.480 0.000 0.000 0.304 439 M C -1.554 174.597 176.300 -0.247 0.000 1.019 439 M CA -0.462 54.715 55.300 -0.205 0.000 0.922 439 M CB 3.414 35.867 32.600 -0.246 0.000 1.600 439 M HN -0.234 nan 8.290 nan 0.000 0.433 440 V N 1.909 121.682 119.914 -0.234 0.000 2.448 440 V HA 0.691 4.811 4.120 0.000 0.000 0.295 440 V C 0.383 176.337 176.094 -0.234 0.000 1.025 440 V CA -0.804 61.324 62.300 -0.286 0.000 0.859 440 V CB 1.687 33.357 31.823 -0.254 0.000 0.988 440 V HN 0.989 nan 8.190 nan 0.000 0.431 441 G N 4.822 113.480 108.800 -0.237 0.000 2.327 441 G HA2 0.644 4.604 3.960 0.000 0.000 0.302 441 G HA3 0.644 4.604 3.960 0.000 0.000 0.302 441 G C -0.629 174.190 174.900 -0.134 0.000 1.113 441 G CA -0.343 44.726 45.100 -0.051 0.000 0.921 441 G HN 0.653 nan 8.290 nan 0.000 0.425 442 I N 2.696 123.160 120.570 -0.177 0.000 2.328 442 I HA 0.158 4.328 4.170 0.000 0.000 0.287 442 I C 0.083 175.981 176.117 -0.364 0.000 1.012 442 I CA -0.733 60.415 61.300 -0.252 0.000 1.195 442 I CB 1.234 39.117 38.000 -0.195 0.000 1.350 442 I HN 0.477 nan 8.210 nan 0.000 0.464 443 N N 2.465 120.715 118.700 -0.750 0.000 2.708 443 N HA -0.190 4.550 4.740 0.000 0.000 0.249 443 N C -0.132 174.947 175.510 -0.720 0.000 1.097 443 N CA 1.374 53.715 53.050 -1.181 0.000 0.710 443 N CB -0.818 37.406 38.487 -0.438 0.000 1.032 443 N HN 0.753 nan 8.380 nan 0.000 0.551 444 T N -3.118 111.176 114.554 -0.434 0.000 2.923 444 T HA 0.587 4.937 4.350 0.000 0.000 0.311 444 T C 1.003 175.884 174.700 0.302 0.000 1.183 444 T CA 0.102 62.256 62.100 0.090 0.000 1.020 444 T CB 1.566 70.467 68.868 0.055 0.000 1.165 444 T HN 0.044 nan 8.240 nan 0.000 0.482 445 G N 2.203 111.205 108.800 0.336 0.000 2.838 445 G HA2 0.327 4.287 3.960 0.000 0.000 0.210 445 G HA3 0.327 4.287 3.960 0.000 0.000 0.210 445 G C 0.110 175.038 174.900 0.048 0.000 1.153 445 G CA 0.065 45.253 45.100 0.147 0.000 0.778 445 G HN 0.578 nan 8.290 nan 0.000 0.539 446 L N 1.336 122.636 121.223 0.129 0.000 2.372 446 L HA 0.482 4.822 4.340 0.000 0.000 0.274 446 L C 0.472 177.406 176.870 0.107 0.000 0.988 446 L CA -0.658 54.246 54.840 0.107 0.000 0.833 446 L CB 1.843 43.934 42.059 0.054 0.000 1.236 446 L HN 0.264 nan 8.230 nan 0.000 0.410 447 I N -1.569 119.082 120.570 0.135 0.000 4.240 447 I HA 0.316 4.486 4.170 0.000 0.000 0.331 447 I C 0.040 176.200 176.117 0.071 0.000 1.381 447 I CA -0.153 61.204 61.300 0.095 0.000 1.136 447 I CB 0.948 39.014 38.000 0.109 0.000 1.137 447 I HN 0.303 nan 8.210 nan 0.000 0.411 448 S N 3.315 119.041 115.700 0.042 0.000 2.474 448 S HA 0.483 4.953 4.470 0.000 0.000 0.276 448 S C -0.316 174.231 174.600 -0.089 0.000 1.227 448 S CA -0.426 57.778 58.200 0.006 0.000 1.050 448 S CB 0.278 63.403 63.200 -0.125 0.000 0.939 448 S HN 0.778 nan 8.310 nan 0.000 0.490 449 N N 0.615 119.313 118.700 -0.003 0.000 3.106 449 N HA 0.283 5.023 4.740 0.000 0.000 0.253 449 N C -0.033 175.323 175.510 -0.257 0.000 1.506 449 N CA -0.933 52.052 53.050 -0.109 0.000 0.876 449 N CB 0.604 38.990 38.487 -0.167 0.000 1.452 449 N HN 0.319 nan 8.380 nan 0.000 0.542 450 E N -0.114 119.715 120.200 -0.619 0.000 2.472 450 E HA 0.002 4.352 4.350 0.000 0.000 0.196 450 E C 0.754 176.694 176.600 -1.100 0.000 1.033 450 E CA 0.515 56.288 56.400 -1.045 0.000 0.886 450 E CB 0.138 29.015 29.700 -1.371 0.000 0.944 450 E HN 0.457 nan 8.360 nan 0.000 0.492 451 V N -0.349 119.048 119.914 -0.862 0.000 3.565 451 V HA 0.479 4.599 4.120 0.000 0.000 0.260 451 V C 0.845 176.775 176.094 -0.273 0.000 1.231 451 V CA 0.408 62.217 62.300 -0.818 0.000 1.100 451 V CB 0.079 31.456 31.823 -0.743 0.000 0.807 451 V HN 0.261 nan 8.190 nan 0.000 0.454 452 A N 2.832 125.557 122.820 -0.158 0.000 2.309 452 A HA 0.730 5.050 4.320 0.000 0.000 0.298 452 A C -2.516 175.138 177.584 0.116 0.000 1.165 452 A CA -1.704 50.337 52.037 0.007 0.000 0.821 452 A CB 0.125 19.136 19.000 0.018 0.000 1.102 452 A HN 0.410 nan 8.150 nan 0.000 0.500 453 P HA 0.114 nan 4.420 nan 0.000 0.269 453 P C -0.907 176.484 177.300 0.151 0.000 1.263 453 P CA 0.425 63.637 63.100 0.186 0.000 0.813 453 P CB -0.037 31.726 31.700 0.105 0.000 0.868 454 F N 3.940 123.937 119.950 0.078 0.000 2.385 454 F HA 0.657 5.184 4.527 0.000 0.000 0.336 454 F C 0.648 176.467 175.800 0.031 0.000 1.100 454 F CA 0.871 58.905 58.000 0.057 0.000 1.116 454 F CB 1.453 40.514 39.000 0.103 0.000 1.166 454 F HN 0.629 nan 8.300 nan 0.000 0.511 455 G N 2.361 110.909 108.800 -0.421 0.000 2.353 455 G HA2 0.428 4.388 3.960 0.000 0.000 0.308 455 G HA3 0.428 4.388 3.960 0.000 0.000 0.308 455 G C -1.435 173.298 174.900 -0.278 0.000 1.418 455 G CA -0.417 44.555 45.100 -0.213 0.000 0.966 455 G HN 1.089 nan 8.290 nan 0.000 0.638 456 G N -1.582 107.118 108.800 -0.166 0.000 2.568 456 G HA2 0.994 4.954 3.960 0.000 0.000 0.313 456 G HA3 0.994 4.954 3.960 0.000 0.000 0.313 456 G C 0.111 174.943 174.900 -0.113 0.000 1.227 456 G CA 0.226 45.236 45.100 -0.149 0.000 0.979 456 G HN 1.991 nan 8.290 nan 0.000 0.486 457 V N -2.077 117.759 119.914 -0.129 0.000 3.267 457 V HA 0.830 4.950 4.120 0.000 0.000 0.317 457 V C 0.774 176.797 176.094 -0.119 0.000 1.131 457 V CA -0.336 61.892 62.300 -0.120 0.000 1.031 457 V CB 0.977 32.718 31.823 -0.137 0.000 1.159 457 V HN 1.098 nan 8.190 nan 0.000 0.454 458 K N -0.943 119.391 120.400 -0.110 0.000 1.844 458 K HA -0.238 4.082 4.320 0.000 0.000 0.160 458 K C 1.084 177.645 176.600 -0.064 0.000 1.448 458 K CA 1.821 58.044 56.287 -0.108 0.000 0.446 458 K CB -1.278 31.125 32.500 -0.161 0.000 0.635 458 K HN 0.806 nan 8.250 nan 0.000 0.848 459 Q N 0.550 120.312 119.800 -0.062 0.000 2.415 459 Q HA 0.101 4.441 4.340 0.000 0.000 0.206 459 Q C 0.725 176.824 176.000 0.164 0.000 0.946 459 Q CA 0.750 56.562 55.803 0.015 0.000 0.951 459 Q CB 0.546 29.224 28.738 -0.100 0.000 1.026 459 Q HN 0.347 nan 8.270 nan 0.000 0.510 460 S N 0.048 115.811 115.700 0.104 0.000 2.634 460 S HA 0.329 4.799 4.470 0.000 0.000 0.221 460 S C 0.834 175.467 174.600 0.054 0.000 0.952 460 S CA 0.359 58.618 58.200 0.097 0.000 0.930 460 S CB 0.284 63.496 63.200 0.019 0.000 0.780 460 S HN 0.619 nan 8.310 nan 0.000 0.498 461 G N 0.915 109.748 108.800 0.055 0.000 2.548 461 G HA2 -0.130 3.830 3.960 0.000 0.000 0.208 461 G HA3 -0.130 3.830 3.960 0.000 0.000 0.208 461 G C -1.006 173.904 174.900 0.016 0.000 1.308 461 G CA -0.739 44.392 45.100 0.052 0.000 0.924 461 G HN 0.313 nan 8.290 nan 0.000 0.540 462 L N 0.327 121.563 121.223 0.023 0.000 2.230 462 L HA 0.798 5.138 4.340 0.000 0.000 0.255 462 L C 1.223 178.098 176.870 0.008 0.000 1.039 462 L CA -0.302 54.539 54.840 0.002 0.000 0.846 462 L CB 1.391 43.451 42.059 0.001 0.000 1.419 462 L HN 2.616 nan 8.230 nan 0.000 0.435 463 G N 0.802 109.600 108.800 -0.003 0.000 2.915 463 G HA2 -0.133 3.827 3.960 0.000 0.000 0.337 463 G HA3 -0.133 3.827 3.960 0.000 0.000 0.337 463 G C -1.009 173.912 174.900 0.035 0.000 1.477 463 G CA -0.677 44.430 45.100 0.012 0.000 0.916 463 G HN 0.485 nan 8.290 nan 0.000 0.550 464 R N 0.360 120.908 120.500 0.079 0.000 2.795 464 R HA 0.659 4.999 4.340 0.000 0.000 0.275 464 R C -0.486 175.955 176.300 0.236 0.000 0.981 464 R CA -0.736 55.445 56.100 0.135 0.000 0.917 464 R CB 1.972 32.324 30.300 0.086 0.000 1.202 464 R HN 0.744 nan 8.270 nan 0.000 0.469 465 E N -0.098 120.283 120.200 0.302 0.000 2.275 465 E HA 0.595 4.945 4.350 0.000 0.000 0.270 465 E C -0.469 176.384 176.600 0.422 0.000 0.882 465 E CA -0.519 56.086 56.400 0.342 0.000 0.758 465 E CB 2.422 32.237 29.700 0.191 0.000 1.195 465 E HN 0.825 nan 8.360 nan 0.000 0.419 466 G N 1.921 111.056 108.800 0.557 0.000 2.483 466 G HA2 0.026 3.986 3.960 0.000 0.000 0.521 466 G HA3 0.026 3.986 3.960 0.000 0.000 0.521 466 G C 0.064 175.161 174.900 0.329 0.000 1.278 466 G CA -0.165 45.184 45.100 0.415 0.000 0.965 466 G HN 1.417 nan 8.290 nan 0.000 0.504 467 S N -2.169 113.608 115.700 0.129 0.000 2.865 467 S HA -0.334 4.136 4.470 0.000 0.000 0.630 467 S C 1.183 176.068 174.600 0.474 0.000 3.160 467 S CA 2.737 61.111 58.200 0.289 0.000 3.629 467 S CB -1.107 62.257 63.200 0.274 0.000 0.312 467 S HN 2.856 nan 8.310 nan 0.000 1.632 468 H N -0.175 119.009 119.070 0.191 0.000 2.551 468 H HA 0.371 4.927 4.556 0.000 0.000 0.266 468 H C 1.460 176.799 175.328 0.019 0.000 0.964 468 H CA 0.890 56.962 56.048 0.040 0.000 1.180 468 H CB -0.463 29.219 29.762 -0.133 0.000 1.408 468 H HN 0.556 nan 8.280 nan 0.000 0.563 469 Y N 0.802 120.963 120.300 -0.231 0.000 2.395 469 Y HA 0.165 4.715 4.550 0.000 0.000 0.293 469 Y C 2.730 178.709 175.900 0.132 0.000 1.123 469 Y CA 0.773 58.787 58.100 -0.144 0.000 1.227 469 Y CB -0.355 38.009 38.460 -0.160 0.000 1.012 469 Y HN 0.444 nan 8.280 nan 0.000 0.552 470 G N 0.489 109.550 108.800 0.435 0.000 2.459 470 G HA2 -0.298 3.662 3.960 0.000 0.000 0.217 470 G HA3 -0.298 3.662 3.960 0.000 0.000 0.217 470 G C 1.725 176.921 174.900 0.494 0.000 1.183 470 G CA 1.201 46.617 45.100 0.527 0.000 0.776 470 G HN 0.465 nan 8.290 nan 0.000 0.552 471 I N 0.456 121.336 120.570 0.517 0.000 2.493 471 I HA -0.093 4.077 4.170 0.000 0.000 0.254 471 I C 1.989 178.321 176.117 0.359 0.000 1.160 471 I CA 1.029 62.560 61.300 0.386 0.000 1.445 471 I CB -0.044 38.165 38.000 0.349 0.000 1.086 471 I HN 0.036 nan 8.210 nan 0.000 0.433 472 D N 1.070 121.640 120.400 0.284 0.000 2.158 472 D HA -0.218 4.422 4.640 0.000 0.000 0.197 472 D C 1.662 178.050 176.300 0.147 0.000 0.995 472 D CA 1.219 55.341 54.000 0.202 0.000 0.846 472 D CB -0.249 40.663 40.800 0.186 0.000 0.941 472 D HN 0.359 nan 8.370 nan 0.000 0.456 473 D N -0.942 119.524 120.400 0.110 0.000 2.264 473 D HA -0.126 4.514 4.640 0.000 0.000 0.208 473 D C 1.016 177.171 176.300 -0.242 0.000 0.966 473 D CA 0.670 54.601 54.000 -0.114 0.000 0.864 473 D CB -0.097 40.541 40.800 -0.269 0.000 0.933 473 D HN 0.436 nan 8.370 nan 0.000 0.499 474 Y N -0.192 120.127 120.300 0.031 0.000 2.485 474 Y HA 0.138 4.688 4.550 0.000 0.000 0.260 474 Y C 0.779 176.705 175.900 0.043 0.000 1.173 474 Y CA -0.479 57.629 58.100 0.014 0.000 1.252 474 Y CB 0.557 39.010 38.460 -0.011 0.000 1.123 474 Y HN -0.226 nan 8.280 nan 0.000 0.524 475 V N -2.932 117.080 119.914 0.164 0.000 3.001 475 V HA 0.783 4.903 4.120 0.000 0.000 0.314 475 V C -0.899 175.255 176.094 0.100 0.000 1.099 475 V CA -1.234 61.151 62.300 0.141 0.000 0.989 475 V CB 2.027 33.938 31.823 0.147 0.000 1.040 475 V HN -0.289 nan 8.190 nan 0.000 0.434 476 V N 3.746 123.723 119.914 0.105 0.000 2.769 476 V HA 0.660 4.780 4.120 0.000 0.000 0.312 476 V C -0.212 175.937 176.094 0.092 0.000 1.061 476 V CA -0.573 61.779 62.300 0.087 0.000 0.931 476 V CB 1.879 33.754 31.823 0.087 0.000 1.010 476 V HN 1.114 nan 8.190 nan 0.000 0.433 477 I N 3.018 123.638 120.570 0.083 0.000 2.577 477 I HA 0.653 4.823 4.170 0.000 0.000 0.305 477 I C -0.603 175.570 176.117 0.094 0.000 0.986 477 I CA -0.370 60.983 61.300 0.087 0.000 1.189 477 I CB 1.374 39.423 38.000 0.083 0.000 1.355 477 I HN 0.672 nan 8.210 nan 0.000 0.476 478 K N 5.587 126.047 120.400 0.100 0.000 2.604 478 K HA 0.242 4.562 4.320 0.000 0.000 0.247 478 K C -1.820 174.860 176.600 0.132 0.000 0.956 478 K CA -0.691 55.655 56.287 0.100 0.000 0.896 478 K CB 1.071 33.610 32.500 0.064 0.000 1.131 478 K HN 0.722 nan 8.250 nan 0.000 0.440 479 Y N 6.015 126.329 120.300 0.023 0.000 2.393 479 Y HA 0.292 4.842 4.550 0.000 0.000 0.338 479 Y C -1.280 174.629 175.900 0.015 0.000 1.029 479 Y CA -0.490 57.621 58.100 0.019 0.000 1.239 479 Y CB 0.508 38.979 38.460 0.018 0.000 1.170 479 Y HN 0.439 nan 8.280 nan 0.000 0.515 480 L N 7.767 128.847 121.223 -0.237 0.000 2.287 480 L HA 0.326 4.666 4.340 0.000 0.000 0.287 480 L C -0.541 176.039 176.870 -0.483 0.000 1.022 480 L CA -0.812 53.824 54.840 -0.340 0.000 0.814 480 L CB 1.346 43.326 42.059 -0.132 0.000 1.217 480 L HN 0.778 nan 8.230 nan 0.000 0.420 481 C N 5.447 124.410 119.300 -0.563 0.000 2.185 481 C HA 0.449 4.909 4.460 0.000 0.000 0.357 481 C C 0.413 175.310 174.990 -0.156 0.000 1.053 481 C CA -0.512 58.289 59.018 -0.362 0.000 1.552 481 C CB -0.575 26.933 27.740 -0.386 0.000 1.679 481 C HN 0.547 nan 8.230 nan 0.000 0.453 482 V N 5.576 125.434 119.914 -0.093 0.000 2.555 482 V HA 0.480 4.600 4.120 0.000 0.000 0.286 482 V C 1.026 177.103 176.094 -0.028 0.000 1.044 482 V CA 0.008 62.276 62.300 -0.054 0.000 1.026 482 V CB 0.852 32.653 31.823 -0.038 0.000 0.981 482 V HN 0.930 nan 8.190 nan 0.000 0.480 483 A N 4.613 127.418 122.820 -0.024 0.000 2.286 483 A HA 0.811 5.131 4.320 0.000 0.000 0.286 483 A C -0.247 177.332 177.584 -0.008 0.000 1.097 483 A CA -0.305 51.725 52.037 -0.012 0.000 0.821 483 A CB 1.459 20.452 19.000 -0.012 0.000 1.076 483 A HN 0.964 nan 8.150 nan 0.000 0.490 484 V N 0.000 119.912 119.914 -0.003 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 484 V CB 0.000 31.824 31.823 0.001 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556