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 3ifg_1_I 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 0.000 174.874 174.900 -0.043 0.000 0.946 3 G CA 0.000 45.067 45.100 -0.055 0.000 0.502 4 S N 0.601 116.277 115.700 -0.041 0.000 2.601 4 S HA 0.551 5.021 4.470 -0.000 0.000 0.244 4 S C 0.513 175.096 174.600 -0.027 0.000 1.001 4 S CA -0.370 57.812 58.200 -0.029 0.000 0.984 4 S CB -0.202 62.983 63.200 -0.024 0.000 0.842 4 S HN 0.307 nan 8.310 nan 0.000 0.474 5 M N 1.343 120.922 119.600 -0.034 0.000 2.209 5 M HA 0.450 4.930 4.480 -0.000 0.000 0.355 5 M C 0.648 176.936 176.300 -0.021 0.000 1.171 5 M CA -0.645 54.639 55.300 -0.027 0.000 1.069 5 M CB 1.260 33.839 32.600 -0.037 0.000 1.622 5 M HN -0.153 nan 8.290 nan 0.000 0.459 6 K N 0.452 120.845 120.400 -0.011 0.000 2.362 6 K HA -0.126 4.194 4.320 -0.000 0.000 0.202 6 K C -0.081 176.518 176.600 -0.003 0.000 1.045 6 K CA 1.102 57.385 56.287 -0.006 0.000 0.936 6 K CB -0.100 32.400 32.500 -0.001 0.000 0.747 6 K HN 0.469 nan 8.250 nan 0.000 0.467 7 D N -1.368 119.031 120.400 -0.002 0.000 2.364 7 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 7 D C -2.407 173.884 176.300 -0.014 0.000 1.282 7 D CA -2.098 51.906 54.000 0.007 0.000 0.927 7 D CB 1.217 42.040 40.800 0.038 0.000 1.267 7 D HN -0.214 nan 8.370 nan 0.000 0.531 8 P HA -0.037 nan 4.420 nan 0.000 0.234 8 P C 1.024 178.253 177.300 -0.117 0.000 1.167 8 P CA 0.518 63.572 63.100 -0.077 0.000 0.763 8 P CB 0.152 31.809 31.700 -0.071 0.000 0.835 9 S N -1.595 114.041 115.700 -0.108 0.000 2.660 9 S HA 0.071 4.540 4.470 -0.000 0.000 0.223 9 S C 1.414 175.824 174.600 -0.317 0.000 0.963 9 S CA 0.295 58.357 58.200 -0.231 0.000 0.932 9 S CB -1.199 61.893 63.200 -0.181 0.000 0.775 9 S HN 0.123 nan 8.310 nan 0.000 0.531 10 L N -0.190 120.950 121.223 -0.138 0.000 2.408 10 L HA 0.403 4.743 4.340 -0.000 0.000 0.215 10 L C 1.138 177.929 176.870 -0.131 0.000 1.081 10 L CA 0.192 55.001 54.840 -0.053 0.000 0.840 10 L CB -0.120 41.974 42.059 0.059 0.000 1.002 10 L HN 0.314 nan 8.230 nan 0.000 0.468 11 L N 2.528 123.616 121.223 -0.224 0.000 2.382 11 L HA 0.123 4.463 4.340 -0.000 0.000 0.259 11 L C 0.297 176.884 176.870 -0.471 0.000 1.291 11 L CA -0.293 54.313 54.840 -0.391 0.000 1.176 11 L CB -0.351 41.426 42.059 -0.469 0.000 1.373 11 L HN 0.146 nan 8.230 nan 0.000 0.426 12 R N 1.777 122.102 120.500 -0.291 0.000 2.679 12 R HA 0.165 4.505 4.340 -0.000 0.000 0.269 12 R C 0.140 176.244 176.300 -0.326 0.000 1.076 12 R CA -0.199 55.734 56.100 -0.279 0.000 1.160 12 R CB 0.284 30.521 30.300 -0.104 0.000 1.054 12 R HN 0.517 nan 8.270 nan 0.000 0.507 13 H N -0.333 118.768 119.070 0.051 0.000 3.182 13 H HA 0.233 4.789 4.556 -0.000 0.000 0.254 13 H C -0.280 175.094 175.328 0.077 0.000 1.197 13 H CA -0.073 56.024 56.048 0.082 0.000 1.061 13 H CB 1.416 31.185 29.762 0.012 0.000 1.722 13 H HN 0.389 nan 8.280 nan 0.000 0.662 14 Q N 0.593 120.531 119.800 0.230 0.000 2.365 14 Q HA 0.678 5.017 4.340 -0.000 0.000 0.269 14 Q C -0.505 175.743 176.000 0.414 0.000 1.061 14 Q CA -0.866 55.115 55.803 0.297 0.000 0.816 14 Q CB 3.216 32.157 28.738 0.339 0.000 1.325 14 Q HN 0.252 nan 8.270 nan 0.000 0.446 15 A N 1.359 124.326 122.820 0.244 0.000 2.351 15 A HA 0.235 4.555 4.320 -0.000 0.000 0.257 15 A C -1.371 176.231 177.584 0.029 0.000 1.087 15 A CA -0.032 52.095 52.037 0.151 0.000 0.798 15 A CB 0.216 19.261 19.000 0.075 0.000 1.033 15 A HN 0.705 nan 8.150 nan 0.000 0.488 16 Y N 2.754 122.869 120.300 -0.308 0.000 2.454 16 Y HA 0.467 5.017 4.550 -0.000 0.000 0.345 16 Y C -0.684 175.002 175.900 -0.356 0.000 0.970 16 Y CA -0.853 56.869 58.100 -0.630 0.000 1.204 16 Y CB 0.536 38.490 38.460 -0.844 0.000 1.122 16 Y HN 0.391 nan 8.280 nan 0.000 0.514 17 I N 5.508 125.732 120.570 -0.577 0.000 2.411 17 I HA 0.300 4.470 4.170 -0.000 0.000 0.284 17 I C 0.905 176.742 176.117 -0.466 0.000 1.012 17 I CA -0.684 60.387 61.300 -0.380 0.000 1.119 17 I CB 0.931 38.807 38.000 -0.208 0.000 1.261 17 I HN 0.860 nan 8.210 nan 0.000 0.448 18 G N 4.696 113.266 108.800 -0.383 0.000 2.225 18 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.267 18 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.267 18 G C 1.015 175.686 174.900 -0.382 0.000 1.024 18 G CA 0.791 45.711 45.100 -0.301 0.000 0.784 18 G HN 1.619 nan 8.290 nan 0.000 0.507 19 G N -1.734 106.644 108.800 -0.705 0.000 2.232 19 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.226 19 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.226 19 G C 0.024 174.433 174.900 -0.818 0.000 0.996 19 G CA 0.769 45.492 45.100 -0.628 0.000 0.626 19 G HN 1.046 nan 8.290 nan 0.000 0.509 20 E N -0.807 118.905 120.200 -0.812 0.000 2.238 20 E HA 0.517 4.867 4.350 -0.000 0.000 0.267 20 E C -0.882 175.425 176.600 -0.488 0.000 0.887 20 E CA -1.086 55.041 56.400 -0.456 0.000 0.769 20 E CB 1.150 30.738 29.700 -0.185 0.000 1.187 20 E HN 0.269 nan 8.360 nan 0.000 0.416 21 W N 2.360 123.610 121.300 -0.085 0.000 2.304 21 W HA 0.233 4.893 4.660 -0.000 0.000 0.313 21 W C 0.278 176.784 176.519 -0.022 0.000 1.323 21 W CA -0.047 57.297 57.345 -0.000 0.000 1.223 21 W CB 0.617 30.112 29.460 0.058 0.000 1.237 21 W HN 0.258 nan 8.180 nan 0.000 0.535 22 Q N 1.807 121.710 119.800 0.172 0.000 2.456 22 Q HA 0.758 5.098 4.340 -0.000 0.000 0.284 22 Q C -0.651 175.412 176.000 0.105 0.000 1.061 22 Q CA -1.059 54.801 55.803 0.094 0.000 0.799 22 Q CB 2.513 31.258 28.738 0.012 0.000 1.445 22 Q HN 0.539 nan 8.270 nan 0.000 0.411 23 A N 0.615 123.481 122.820 0.076 0.000 2.284 23 A HA 0.899 5.219 4.320 -0.000 0.000 0.317 23 A C -0.365 177.246 177.584 0.045 0.000 1.120 23 A CA -0.049 52.027 52.037 0.066 0.000 0.900 23 A CB 0.587 19.621 19.000 0.057 0.000 1.319 23 A HN 0.785 nan 8.150 nan 0.000 0.494 24 A N -0.489 122.359 122.820 0.046 0.000 2.482 24 A HA 0.244 4.563 4.320 -0.000 0.000 0.249 24 A C 0.585 178.184 177.584 0.026 0.000 1.114 24 A CA 0.881 52.941 52.037 0.037 0.000 0.797 24 A CB -0.375 18.653 19.000 0.046 0.000 1.067 24 A HN 0.774 nan 8.150 nan 0.000 0.514 25 D N -0.497 119.915 120.400 0.020 0.000 2.149 25 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 25 D C 2.344 178.654 176.300 0.017 0.000 0.972 25 D CA 2.009 56.018 54.000 0.014 0.000 0.835 25 D CB -0.094 40.711 40.800 0.009 0.000 0.966 25 D HN 0.591 nan 8.370 nan 0.000 0.476 26 S N -0.780 114.932 115.700 0.021 0.000 2.461 26 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 26 S C 0.732 175.346 174.600 0.024 0.000 1.005 26 S CA 0.866 59.079 58.200 0.021 0.000 0.942 26 S CB 0.254 63.469 63.200 0.024 0.000 0.776 26 S HN 0.115 nan 8.310 nan 0.000 0.514 27 D N 0.017 120.433 120.400 0.028 0.000 2.839 27 D HA -0.126 4.513 4.640 -0.000 0.000 0.194 27 D C 0.341 176.662 176.300 0.036 0.000 0.988 27 D CA 0.944 54.961 54.000 0.028 0.000 1.009 27 D CB -1.720 39.093 40.800 0.020 0.000 1.067 27 D HN 0.723 nan 8.370 nan 0.000 0.444 28 A N 0.768 123.615 122.820 0.044 0.000 2.483 28 A HA 0.474 4.793 4.320 -0.000 0.000 0.238 28 A C 0.984 178.615 177.584 0.079 0.000 1.070 28 A CA 1.397 53.470 52.037 0.059 0.000 0.770 28 A CB 0.536 19.574 19.000 0.063 0.000 1.008 28 A HN 0.378 nan 8.150 nan 0.000 0.497 29 T N -1.148 113.461 114.554 0.092 0.000 2.816 29 T HA 0.753 5.103 4.350 -0.000 0.000 0.299 29 T C -0.525 174.285 174.700 0.184 0.000 1.230 29 T CA -0.277 61.883 62.100 0.100 0.000 1.007 29 T CB 1.154 70.030 68.868 0.013 0.000 1.289 29 T HN 1.510 nan 8.240 nan 0.000 0.508 30 F N -0.924 119.042 119.950 0.028 0.000 2.664 30 F HA 0.910 5.437 4.527 -0.000 0.000 0.329 30 F C -0.568 175.245 175.800 0.021 0.000 1.090 30 F CA -1.227 56.793 58.000 0.033 0.000 0.978 30 F CB 1.497 40.516 39.000 0.033 0.000 1.378 30 F HN 0.798 nan 8.300 nan 0.000 0.495 31 E N 0.773 121.033 120.200 0.098 0.000 2.207 31 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 31 E C -1.750 174.801 176.600 -0.082 0.000 0.927 31 E CA -1.141 55.190 56.400 -0.115 0.000 0.799 31 E CB 2.478 32.130 29.700 -0.079 0.000 1.172 31 E HN 0.596 nan 8.360 nan 0.000 0.404 32 V N 4.012 123.761 119.914 -0.275 0.000 2.495 32 V HA 0.408 4.528 4.120 -0.000 0.000 0.298 32 V C -1.027 174.913 176.094 -0.257 0.000 1.031 32 V CA -0.595 61.641 62.300 -0.108 0.000 0.871 32 V CB 0.994 32.772 31.823 -0.075 0.000 0.988 32 V HN 0.537 nan 8.190 nan 0.000 0.432 33 F N 2.498 122.501 119.950 0.089 0.000 2.427 33 F HA 0.349 4.875 4.527 -0.000 0.000 0.348 33 F C 0.486 176.310 175.800 0.039 0.000 1.125 33 F CA -0.757 57.280 58.000 0.062 0.000 0.989 33 F CB 1.330 40.356 39.000 0.044 0.000 1.165 33 F HN 0.479 nan 8.300 nan 0.000 0.442 34 D N 6.023 126.527 120.400 0.174 0.000 2.426 34 D HA 0.007 4.646 4.640 -0.000 0.000 0.261 34 D C -1.964 174.379 176.300 0.072 0.000 1.245 34 D CA -0.965 53.093 54.000 0.097 0.000 0.917 34 D CB 1.306 42.141 40.800 0.058 0.000 1.123 34 D HN 0.203 nan 8.370 nan 0.000 0.508 35 P HA 0.209 nan 4.420 nan 0.000 0.266 35 P C 0.324 177.586 177.300 -0.063 0.000 1.381 35 P CA -0.074 63.018 63.100 -0.013 0.000 0.940 35 P CB 0.644 32.320 31.700 -0.040 0.000 1.435 36 A N 0.137 122.923 122.820 -0.057 0.000 2.081 36 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 36 A C 1.707 179.247 177.584 -0.073 0.000 1.158 36 A CA 1.776 53.835 52.037 0.036 0.000 0.724 36 A CB -0.772 18.286 19.000 0.097 0.000 0.826 36 A HN 0.294 nan 8.150 nan 0.000 0.463 37 T N -6.900 107.475 114.554 -0.297 0.000 3.046 37 T HA 0.446 4.795 4.350 -0.000 0.000 0.270 37 T C 1.325 175.762 174.700 -0.439 0.000 0.920 37 T CA 0.969 62.747 62.100 -0.537 0.000 0.874 37 T CB 0.518 69.298 68.868 -0.148 0.000 1.214 37 T HN 1.604 nan 8.240 nan 0.000 0.536 38 G N 2.315 111.013 108.800 -0.170 0.000 2.213 38 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.236 38 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.236 38 G C -0.027 174.976 174.900 0.172 0.000 0.991 38 G CA 0.173 45.301 45.100 0.047 0.000 0.629 38 G HN 0.970 nan 8.290 nan 0.000 0.517 39 E N 1.383 121.688 120.200 0.176 0.000 2.283 39 E HA 0.594 4.944 4.350 -0.000 0.000 0.267 39 E C 0.131 176.922 176.600 0.319 0.000 1.045 39 E CA 0.001 56.553 56.400 0.254 0.000 0.884 39 E CB 1.240 31.017 29.700 0.128 0.000 1.106 39 E HN 0.307 nan 8.360 nan 0.000 0.408 40 S N -0.199 115.642 115.700 0.235 0.000 2.560 40 S HA 0.259 4.728 4.470 -0.000 0.000 0.284 40 S C 0.842 175.353 174.600 -0.148 0.000 1.327 40 S CA 0.287 58.340 58.200 -0.244 0.000 1.055 40 S CB -0.102 62.931 63.200 -0.278 0.000 0.868 40 S HN 0.620 nan 8.310 nan 0.000 0.506 41 L N 3.080 124.187 121.223 -0.193 0.000 2.638 41 L HA 0.705 5.045 4.340 -0.000 0.000 0.232 41 L C 1.229 178.073 176.870 -0.044 0.000 1.099 41 L CA 0.786 55.582 54.840 -0.074 0.000 0.883 41 L CB -1.482 40.589 42.059 0.020 0.000 1.136 41 L HN 1.260 nan 8.230 nan 0.000 0.492 42 G N -1.677 107.091 108.800 -0.053 0.000 2.353 42 G HA2 0.471 4.431 3.960 -0.000 0.000 0.424 42 G HA3 0.471 4.431 3.960 -0.000 0.000 0.424 42 G C -0.283 174.645 174.900 0.046 0.000 1.320 42 G CA 0.528 45.647 45.100 0.031 0.000 0.995 42 G HN 1.515 nan 8.290 nan 0.000 0.580 43 T N -2.434 112.132 114.554 0.020 0.000 2.942 43 T HA 0.932 5.281 4.350 -0.000 0.000 0.289 43 T C -0.075 174.647 174.700 0.038 0.000 1.044 43 T CA 0.154 62.214 62.100 -0.067 0.000 1.023 43 T CB 1.682 70.480 68.868 -0.118 0.000 1.123 43 T HN 2.169 nan 8.240 nan 0.000 0.512 44 V N -1.042 118.705 119.914 -0.279 0.000 3.012 44 V HA 0.688 4.808 4.120 -0.000 0.000 0.307 44 V C -3.113 172.830 176.094 -0.252 0.000 1.166 44 V CA -2.910 59.233 62.300 -0.262 0.000 0.974 44 V CB 1.337 32.889 31.823 -0.452 0.000 1.040 44 V HN 0.753 nan 8.190 nan 0.000 0.428 45 P HA 0.127 nan 4.420 nan 0.000 0.266 45 P C -0.831 176.581 177.300 0.188 0.000 1.193 45 P CA 0.078 63.217 63.100 0.064 0.000 0.770 45 P CB 0.417 32.166 31.700 0.081 0.000 0.836 46 K N 3.494 124.020 120.400 0.210 0.000 2.423 46 K HA 0.329 4.649 4.320 -0.000 0.000 0.234 46 K C -0.449 176.228 176.600 0.128 0.000 1.051 46 K CA -0.252 56.186 56.287 0.252 0.000 1.021 46 K CB -0.101 32.550 32.500 0.251 0.000 1.474 46 K HN 0.442 nan 8.250 nan 0.000 0.474 47 M N 0.825 120.490 119.600 0.109 0.000 2.368 47 M HA 0.374 4.854 4.480 -0.000 0.000 0.311 47 M C 0.802 177.126 176.300 0.040 0.000 1.168 47 M CA -0.324 55.013 55.300 0.062 0.000 1.044 47 M CB 1.687 34.319 32.600 0.053 0.000 1.506 47 M HN 0.608 nan 8.290 nan 0.000 0.475 48 G N -0.498 108.317 108.800 0.024 0.000 3.302 48 G HA2 0.625 4.585 3.960 -0.000 0.000 0.170 48 G HA3 0.625 4.585 3.960 -0.000 0.000 0.170 48 G C 0.440 175.343 174.900 0.005 0.000 1.119 48 G CA 0.110 45.217 45.100 0.012 0.000 0.826 48 G HN 0.752 nan 8.290 nan 0.000 0.646 49 A N -0.173 122.647 122.820 0.001 0.000 1.832 49 A HA 0.282 4.601 4.320 -0.000 0.000 0.214 49 A C 2.760 180.341 177.584 -0.005 0.000 1.200 49 A CA 2.984 55.019 52.037 -0.004 0.000 0.610 49 A CB -1.273 17.724 19.000 -0.005 0.000 0.842 49 A HN 1.479 nan 8.150 nan 0.000 0.444 50 A N -0.369 122.449 122.820 -0.004 0.000 1.948 50 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 50 A C 1.850 179.428 177.584 -0.011 0.000 1.177 50 A CA 2.261 54.294 52.037 -0.006 0.000 0.636 50 A CB -0.608 18.390 19.000 -0.003 0.000 0.815 50 A HN 0.589 nan 8.150 nan 0.000 0.449 51 E N -0.748 119.447 120.200 -0.008 0.000 2.051 51 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 51 E C 2.183 178.768 176.600 -0.024 0.000 0.991 51 E CA 1.857 58.248 56.400 -0.016 0.000 0.799 51 E CB -0.497 29.200 29.700 -0.006 0.000 0.748 51 E HN 0.610 nan 8.360 nan 0.000 0.449 52 T N 0.439 114.982 114.554 -0.017 0.000 2.708 52 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 52 T C 1.961 176.645 174.700 -0.026 0.000 1.037 52 T CA 1.293 63.381 62.100 -0.021 0.000 1.146 52 T CB -0.431 68.429 68.868 -0.013 0.000 0.865 52 T HN 0.283 nan 8.240 nan 0.000 0.435 53 A N 1.347 124.155 122.820 -0.021 0.000 2.024 53 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 53 A C 2.352 179.921 177.584 -0.025 0.000 1.164 53 A CA 1.592 53.617 52.037 -0.020 0.000 0.643 53 A CB -0.489 18.502 19.000 -0.014 0.000 0.806 53 A HN 0.382 nan 8.150 nan 0.000 0.451 54 R N -1.065 119.417 120.500 -0.031 0.000 2.075 54 R HA 0.086 4.426 4.340 -0.000 0.000 0.226 54 R C 2.480 178.747 176.300 -0.054 0.000 1.114 54 R CA 0.985 57.062 56.100 -0.039 0.000 0.972 54 R CB -0.322 29.953 30.300 -0.042 0.000 0.869 54 R HN 0.480 nan 8.270 nan 0.000 0.437 55 A N 0.761 123.543 122.820 -0.063 0.000 1.972 55 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 55 A C 2.015 179.559 177.584 -0.066 0.000 1.169 55 A CA 1.248 53.237 52.037 -0.080 0.000 0.635 55 A CB -0.417 18.536 19.000 -0.078 0.000 0.810 55 A HN 0.230 nan 8.150 nan 0.000 0.446 56 I N -1.309 119.231 120.570 -0.049 0.000 2.406 56 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 56 I C 2.405 178.503 176.117 -0.032 0.000 1.122 56 I CA 1.260 62.533 61.300 -0.043 0.000 1.431 56 I CB -0.176 37.802 38.000 -0.035 0.000 1.087 56 I HN 0.284 nan 8.210 nan 0.000 0.424 57 E N 1.059 121.243 120.200 -0.026 0.000 2.150 57 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 57 E C 2.222 178.814 176.600 -0.012 0.000 0.985 57 E CA 1.297 57.689 56.400 -0.013 0.000 0.814 57 E CB -0.063 29.629 29.700 -0.014 0.000 0.752 57 E HN 0.453 nan 8.360 nan 0.000 0.466 58 A N 0.648 123.447 122.820 -0.035 0.000 1.873 58 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 58 A C 2.377 179.943 177.584 -0.029 0.000 1.186 58 A CA 1.783 53.793 52.037 -0.044 0.000 0.616 58 A CB -0.889 18.060 19.000 -0.084 0.000 0.823 58 A HN 0.338 nan 8.150 nan 0.000 0.442 59 A N -0.896 121.899 122.820 -0.041 0.000 1.933 59 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 59 A C 2.197 179.799 177.584 0.032 0.000 1.175 59 A CA 1.820 53.834 52.037 -0.039 0.000 0.628 59 A CB -0.538 18.413 19.000 -0.080 0.000 0.814 59 A HN 0.675 nan 8.150 nan 0.000 0.444 60 Q N -0.673 119.154 119.800 0.046 0.000 2.083 60 Q HA -0.059 4.281 4.340 -0.000 0.000 0.198 60 Q C 2.178 178.281 176.000 0.171 0.000 0.969 60 Q CA 1.281 57.163 55.803 0.132 0.000 0.838 60 Q CB -0.316 28.478 28.738 0.093 0.000 0.900 60 Q HN 0.598 nan 8.270 nan 0.000 0.436 61 A N 0.603 123.481 122.820 0.097 0.000 1.933 61 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 61 A C 2.165 179.810 177.584 0.102 0.000 1.175 61 A CA 1.673 53.758 52.037 0.080 0.000 0.628 61 A CB -0.727 18.296 19.000 0.038 0.000 0.814 61 A HN 0.528 nan 8.150 nan 0.000 0.444 62 A N -2.146 120.741 122.820 0.110 0.000 2.072 62 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 62 A C 1.806 179.540 177.584 0.250 0.000 1.156 62 A CA 1.113 53.224 52.037 0.123 0.000 0.701 62 A CB -0.662 18.363 19.000 0.042 0.000 0.816 62 A HN 0.779 nan 8.150 nan 0.000 0.458 63 W N 1.337 122.682 121.300 0.074 0.000 2.333 63 W HA -0.244 4.416 4.660 -0.000 0.000 0.316 63 W C 2.383 178.992 176.519 0.151 0.000 1.215 63 W CA 1.871 59.297 57.345 0.134 0.000 1.278 63 W CB -0.848 28.669 29.460 0.095 0.000 1.154 63 W HN 0.359 nan 8.180 nan 0.000 0.486 64 A N 0.605 123.441 122.820 0.027 0.000 1.903 64 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 64 A C 2.311 179.867 177.584 -0.048 0.000 1.191 64 A CA 2.647 54.587 52.037 -0.161 0.000 0.638 64 A CB -1.663 17.273 19.000 -0.105 0.000 0.823 64 A HN 0.459 nan 8.150 nan 0.000 0.451 65 G N -2.419 106.422 108.800 0.067 0.000 2.484 65 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 65 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 65 G C 1.460 176.468 174.900 0.180 0.000 1.130 65 G CA 0.766 45.924 45.100 0.096 0.000 0.784 65 G HN 0.715 nan 8.290 nan 0.000 0.543 66 W N 2.141 123.465 121.300 0.040 0.000 2.481 66 W HA -0.014 4.646 4.660 -0.000 0.000 0.293 66 W C 2.588 179.147 176.519 0.067 0.000 1.201 66 W CA 0.801 58.191 57.345 0.074 0.000 1.328 66 W CB 0.113 29.656 29.460 0.139 0.000 1.112 66 W HN 0.295 nan 8.180 nan 0.000 0.546 67 R N 0.492 121.000 120.500 0.013 0.000 2.189 67 R HA -0.128 4.212 4.340 -0.000 0.000 0.218 67 R C 2.047 178.244 176.300 -0.171 0.000 1.074 67 R CA 1.310 57.330 56.100 -0.133 0.000 0.991 67 R CB -0.991 29.209 30.300 -0.166 0.000 0.883 67 R HN 0.203 nan 8.270 nan 0.000 0.457 68 M N 1.114 120.635 119.600 -0.132 0.000 2.394 68 M HA 0.044 4.524 4.480 -0.000 0.000 0.264 68 M C -0.038 176.194 176.300 -0.114 0.000 1.073 68 M CA 0.987 56.221 55.300 -0.111 0.000 1.111 68 M CB 0.266 32.821 32.600 -0.075 0.000 1.401 68 M HN 0.041 nan 8.290 nan 0.000 0.448 69 K N 1.436 121.743 120.400 -0.156 0.000 2.319 69 K HA 0.065 4.384 4.320 -0.000 0.000 0.265 69 K C 0.483 176.966 176.600 -0.196 0.000 1.000 69 K CA 0.098 56.277 56.287 -0.179 0.000 0.943 69 K CB 0.516 32.853 32.500 -0.271 0.000 0.950 69 K HN 0.245 nan 8.250 nan 0.000 0.485 70 T N -1.358 113.109 114.554 -0.146 0.000 2.813 70 T HA 0.159 4.509 4.350 -0.000 0.000 0.297 70 T C 1.429 176.034 174.700 -0.157 0.000 1.036 70 T CA -0.204 61.820 62.100 -0.127 0.000 1.044 70 T CB 1.253 70.070 68.868 -0.085 0.000 0.993 70 T HN 0.568 nan 8.240 nan 0.000 0.535 71 A N 1.160 123.905 122.820 -0.124 0.000 1.917 71 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 71 A C 2.420 179.946 177.584 -0.096 0.000 1.182 71 A CA 1.926 53.895 52.037 -0.113 0.000 0.633 71 A CB -0.948 18.005 19.000 -0.078 0.000 0.819 71 A HN 0.938 nan 8.150 nan 0.000 0.448 72 K N -0.564 119.790 120.400 -0.077 0.000 2.026 72 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 72 K C 2.030 178.601 176.600 -0.048 0.000 1.048 72 K CA 1.683 57.937 56.287 -0.054 0.000 0.929 72 K CB -0.221 32.252 32.500 -0.045 0.000 0.713 72 K HN 0.653 nan 8.250 nan 0.000 0.439 73 E N 0.009 120.169 120.200 -0.066 0.000 2.070 73 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 73 E C 2.165 178.727 176.600 -0.063 0.000 1.004 73 E CA 1.433 57.797 56.400 -0.059 0.000 0.805 73 E CB 0.004 29.655 29.700 -0.080 0.000 0.744 73 E HN 0.246 nan 8.360 nan 0.000 0.451 74 R N -0.017 120.389 120.500 -0.157 0.000 2.090 74 R HA -0.029 4.311 4.340 -0.000 0.000 0.228 74 R C 2.364 178.685 176.300 0.034 0.000 1.110 74 R CA 0.913 56.914 56.100 -0.166 0.000 0.973 74 R CB -0.216 29.834 30.300 -0.416 0.000 0.869 74 R HN 0.103 nan 8.270 nan 0.000 0.440 75 A N 1.412 124.236 122.820 0.007 0.000 1.933 75 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 75 A C 2.363 179.990 177.584 0.071 0.000 1.175 75 A CA 1.603 53.664 52.037 0.040 0.000 0.628 75 A CB -0.498 18.496 19.000 -0.009 0.000 0.814 75 A HN 0.381 nan 8.150 nan 0.000 0.444 76 A N 0.164 123.020 122.820 0.060 0.000 1.858 76 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 76 A C 2.115 179.775 177.584 0.127 0.000 1.190 76 A CA 1.573 53.657 52.037 0.078 0.000 0.617 76 A CB -0.645 18.387 19.000 0.054 0.000 0.827 76 A HN 0.488 nan 8.150 nan 0.000 0.443 77 I N -0.305 120.357 120.570 0.153 0.000 2.208 77 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 77 I C 2.380 178.655 176.117 0.264 0.000 1.097 77 I CA 1.184 62.606 61.300 0.204 0.000 1.363 77 I CB -0.300 37.859 38.000 0.265 0.000 1.051 77 I HN 0.301 nan 8.210 nan 0.000 0.413 78 L N 0.010 121.408 121.223 0.293 0.000 2.093 78 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 78 L C 2.723 179.806 176.870 0.356 0.000 1.085 78 L CA 1.117 56.187 54.840 0.383 0.000 0.755 78 L CB -0.505 41.759 42.059 0.341 0.000 0.904 78 L HN 0.209 nan 8.230 nan 0.000 0.435 79 R N 0.136 120.785 120.500 0.249 0.000 2.115 79 R HA -0.120 4.220 4.340 -0.000 0.000 0.230 79 R C 2.442 178.931 176.300 0.314 0.000 1.111 79 R CA 1.032 57.290 56.100 0.263 0.000 0.976 79 R CB 0.023 30.414 30.300 0.153 0.000 0.870 79 R HN 0.247 nan 8.270 nan 0.000 0.445 80 R N -0.880 119.769 120.500 0.248 0.000 2.075 80 R HA -0.182 4.158 4.340 -0.000 0.000 0.232 80 R C 1.908 178.365 176.300 0.261 0.000 1.126 80 R CA 1.560 57.784 56.100 0.207 0.000 0.963 80 R CB -0.460 29.933 30.300 0.156 0.000 0.858 80 R HN 0.329 nan 8.270 nan 0.000 0.435 81 W N 1.259 122.622 121.300 0.105 0.000 2.358 81 W HA -0.229 4.430 4.660 -0.000 0.000 0.303 81 W C 1.868 178.459 176.519 0.120 0.000 1.208 81 W CA 0.925 58.320 57.345 0.084 0.000 1.274 81 W CB -0.837 28.675 29.460 0.088 0.000 1.138 81 W HN 0.001 nan 8.180 nan 0.000 0.515 82 F N 2.037 122.002 119.950 0.025 0.000 2.046 82 F HA -0.273 4.254 4.527 -0.000 0.000 0.297 82 F C 2.149 177.918 175.800 -0.051 0.000 1.123 82 F CA 2.718 60.652 58.000 -0.109 0.000 1.199 82 F CB -0.959 38.022 39.000 -0.031 0.000 0.972 82 F HN -0.253 nan 8.300 nan 0.000 0.474 83 D N 0.683 120.981 120.400 -0.171 0.000 2.149 83 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 83 D C 2.428 178.607 176.300 -0.202 0.000 0.990 83 D CA 1.699 55.540 54.000 -0.265 0.000 0.839 83 D CB -0.491 40.306 40.800 -0.005 0.000 0.948 83 D HN 0.374 nan 8.370 nan 0.000 0.460 84 L N 0.021 121.195 121.223 -0.080 0.000 2.109 84 L HA -0.101 4.238 4.340 -0.000 0.000 0.207 84 L C 2.542 179.369 176.870 -0.072 0.000 1.086 84 L CA 0.338 55.155 54.840 -0.038 0.000 0.760 84 L CB -0.273 41.813 42.059 0.045 0.000 0.910 84 L HN -0.075 nan 8.230 nan 0.000 0.437 85 V N 0.339 120.173 119.914 -0.134 0.000 2.287 85 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 85 V C 2.302 178.290 176.094 -0.177 0.000 1.053 85 V CA 1.893 64.097 62.300 -0.159 0.000 1.027 85 V CB -0.246 31.410 31.823 -0.278 0.000 0.646 85 V HN 0.336 nan 8.190 nan 0.000 0.447 86 I N -0.081 120.308 120.570 -0.302 0.000 2.546 86 I HA -0.168 4.002 4.170 -0.000 0.000 0.255 86 I C 2.546 178.573 176.117 -0.150 0.000 1.163 86 I CA 1.154 62.299 61.300 -0.258 0.000 1.457 86 I CB -0.459 37.290 38.000 -0.418 0.000 1.092 86 I HN 0.310 nan 8.210 nan 0.000 0.434 87 A N 0.506 123.247 122.820 -0.132 0.000 1.930 87 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 87 A C 1.605 179.165 177.584 -0.040 0.000 1.175 87 A CA 1.292 53.286 52.037 -0.071 0.000 0.627 87 A CB -0.372 18.596 19.000 -0.054 0.000 0.815 87 A HN 0.438 nan 8.150 nan 0.000 0.443 88 N N -0.100 118.580 118.700 -0.033 0.000 2.380 88 N HA 0.053 4.793 4.740 -0.000 0.000 0.255 88 N C 1.093 176.599 175.510 -0.006 0.000 1.158 88 N CA 0.606 53.652 53.050 -0.006 0.000 0.878 88 N CB 0.628 39.127 38.487 0.019 0.000 1.138 88 N HN 0.468 nan 8.380 nan 0.000 0.509 89 S N 1.582 117.268 115.700 -0.023 0.000 2.365 89 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 89 S C 1.390 175.992 174.600 0.004 0.000 1.039 89 S CA 1.389 59.580 58.200 -0.014 0.000 1.033 89 S CB 0.061 63.246 63.200 -0.024 0.000 0.887 89 S HN 0.262 nan 8.310 nan 0.000 0.447 90 D N 1.020 121.422 120.400 0.003 0.000 2.084 90 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 90 D C 1.654 177.959 176.300 0.009 0.000 0.990 90 D CA 1.767 55.772 54.000 0.007 0.000 0.826 90 D CB -0.770 40.032 40.800 0.003 0.000 0.971 90 D HN 0.544 nan 8.370 nan 0.000 0.453 91 D N 0.699 121.104 120.400 0.009 0.000 2.103 91 D HA -0.144 4.496 4.640 -0.000 0.000 0.190 91 D C 2.302 178.613 176.300 0.018 0.000 0.997 91 D CA 0.792 54.797 54.000 0.009 0.000 0.833 91 D CB -0.377 40.432 40.800 0.015 0.000 0.961 91 D HN 0.155 nan 8.370 nan 0.000 0.447 92 L N 0.411 121.653 121.223 0.032 0.000 2.042 92 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 92 L C 2.404 179.302 176.870 0.046 0.000 1.076 92 L CA 1.233 56.102 54.840 0.049 0.000 0.749 92 L CB -0.562 41.531 42.059 0.057 0.000 0.893 92 L HN 0.046 nan 8.230 nan 0.000 0.432 93 A N -0.681 122.161 122.820 0.037 0.000 2.168 93 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 93 A C 2.257 179.857 177.584 0.026 0.000 1.152 93 A CA 1.016 53.074 52.037 0.036 0.000 0.716 93 A CB -0.416 18.603 19.000 0.033 0.000 0.794 93 A HN 0.409 nan 8.150 nan 0.000 0.465 94 L N -0.822 120.412 121.223 0.018 0.000 2.202 94 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 94 L C 2.206 179.081 176.870 0.007 0.000 1.083 94 L CA 0.707 55.552 54.840 0.008 0.000 0.790 94 L CB -0.144 41.914 42.059 -0.002 0.000 0.942 94 L HN 0.379 nan 8.230 nan 0.000 0.452 95 I N -0.667 119.909 120.570 0.010 0.000 2.163 95 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 95 I C 2.395 178.547 176.117 0.058 0.000 1.085 95 I CA 0.922 62.232 61.300 0.017 0.000 1.347 95 I CB -0.352 37.667 38.000 0.030 0.000 1.044 95 I HN 0.273 nan 8.210 nan 0.000 0.408 96 L N 0.734 121.993 121.223 0.061 0.000 1.956 96 L HA -0.248 4.092 4.340 -0.000 0.000 0.216 96 L C 2.580 179.474 176.870 0.039 0.000 1.073 96 L CA 2.297 57.173 54.840 0.059 0.000 0.762 96 L CB -1.268 40.820 42.059 0.049 0.000 0.889 96 L HN 0.177 nan 8.230 nan 0.000 0.433 97 T N -0.966 113.602 114.554 0.024 0.000 2.721 97 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 97 T C 1.712 176.422 174.700 0.018 0.000 1.038 97 T CA 2.014 64.122 62.100 0.014 0.000 1.145 97 T CB -0.446 68.431 68.868 0.015 0.000 0.858 97 T HN 0.507 nan 8.240 nan 0.000 0.459 98 T N 1.932 116.501 114.554 0.024 0.000 2.701 98 T HA -0.105 4.245 4.350 -0.000 0.000 0.263 98 T C 2.013 176.743 174.700 0.049 0.000 1.040 98 T CA 1.590 63.704 62.100 0.025 0.000 1.147 98 T CB -0.258 68.611 68.868 0.003 0.000 0.865 98 T HN 0.766 nan 8.240 nan 0.000 0.426 99 E N 0.206 120.458 120.200 0.086 0.000 2.371 99 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 99 E C 2.161 178.801 176.600 0.068 0.000 1.012 99 E CA 0.525 57.000 56.400 0.126 0.000 0.860 99 E CB 0.043 29.887 29.700 0.240 0.000 0.811 99 E HN 0.308 nan 8.360 nan 0.000 0.502 100 Q N -0.210 119.613 119.800 0.039 0.000 2.511 100 Q HA 0.120 4.460 4.340 -0.000 0.000 0.236 100 Q C 1.276 177.256 176.000 -0.033 0.000 0.893 100 Q CA 1.407 57.217 55.803 0.012 0.000 0.947 100 Q CB 1.291 30.047 28.738 0.030 0.000 1.110 100 Q HN 0.413 nan 8.270 nan 0.000 0.591 101 G N 1.730 110.508 108.800 -0.036 0.000 2.697 101 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.200 101 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.200 101 G C -0.028 174.835 174.900 -0.062 0.000 1.106 101 G CA 0.035 45.089 45.100 -0.076 0.000 0.748 101 G HN 0.380 nan 8.290 nan 0.000 0.503 102 K N 2.256 122.623 120.400 -0.055 0.000 2.518 102 K HA 0.365 4.685 4.320 -0.000 0.000 0.276 102 K C -2.410 174.179 176.600 -0.018 0.000 0.974 102 K CA -0.398 55.861 56.287 -0.046 0.000 0.986 102 K CB 0.229 32.685 32.500 -0.075 0.000 0.901 102 K HN 0.203 nan 8.250 nan 0.000 0.497 103 P HA -0.096 nan 4.420 nan 0.000 0.269 103 P C 0.709 178.017 177.300 0.013 0.000 1.211 103 P CA -0.110 63.000 63.100 0.016 0.000 0.781 103 P CB 0.421 32.134 31.700 0.022 0.000 0.877 104 L N 1.460 122.694 121.223 0.019 0.000 1.990 104 L HA -0.303 4.037 4.340 -0.000 0.000 0.213 104 L C 2.422 179.305 176.870 0.022 0.000 1.072 104 L CA 2.322 57.174 54.840 0.019 0.000 0.755 104 L CB -1.069 41.001 42.059 0.019 0.000 0.889 104 L HN 0.440 nan 8.230 nan 0.000 0.432 105 A N -0.459 122.375 122.820 0.023 0.000 1.917 105 A HA -0.286 4.033 4.320 -0.000 0.000 0.219 105 A C 2.150 179.753 177.584 0.032 0.000 1.182 105 A CA 2.159 54.212 52.037 0.027 0.000 0.633 105 A CB -0.551 18.465 19.000 0.026 0.000 0.819 105 A HN 0.517 nan 8.150 nan 0.000 0.448 106 E N -0.749 119.467 120.200 0.026 0.000 2.046 106 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 106 E C 2.373 178.991 176.600 0.029 0.000 0.982 106 E CA 0.836 57.252 56.400 0.026 0.000 0.800 106 E CB -0.256 29.448 29.700 0.006 0.000 0.756 106 E HN 0.617 nan 8.360 nan 0.000 0.449 107 A N 1.568 124.398 122.820 0.015 0.000 1.930 107 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 107 A C 1.923 179.540 177.584 0.055 0.000 1.175 107 A CA 1.237 53.287 52.037 0.022 0.000 0.627 107 A CB -0.234 18.773 19.000 0.012 0.000 0.815 107 A HN 0.036 nan 8.150 nan 0.000 0.443 108 K N -0.743 119.687 120.400 0.049 0.000 2.057 108 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 108 K C 2.131 178.778 176.600 0.079 0.000 1.049 108 K CA 1.118 57.437 56.287 0.054 0.000 0.931 108 K CB -0.462 32.061 32.500 0.039 0.000 0.714 108 K HN 0.475 nan 8.250 nan 0.000 0.440 109 G N 1.376 110.227 108.800 0.085 0.000 2.442 109 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.219 109 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.219 109 G C 1.327 176.343 174.900 0.194 0.000 1.141 109 G CA 0.875 46.041 45.100 0.110 0.000 0.763 109 G HN 0.420 nan 8.290 nan 0.000 0.554 110 E N 0.029 120.364 120.200 0.225 0.000 2.110 110 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 110 E C 2.427 179.212 176.600 0.308 0.000 0.988 110 E CA 0.742 57.366 56.400 0.374 0.000 0.804 110 E CB -0.066 29.832 29.700 0.329 0.000 0.745 110 E HN 0.373 nan 8.360 nan 0.000 0.458 111 I N 1.203 121.883 120.570 0.182 0.000 2.163 111 I HA -0.186 3.984 4.170 -0.000 0.000 0.240 111 I C 2.649 178.834 176.117 0.113 0.000 1.081 111 I CA 1.263 62.633 61.300 0.117 0.000 1.353 111 I CB -1.748 36.289 38.000 0.061 0.000 1.054 111 I HN 0.133 nan 8.210 nan 0.000 0.407 112 A N 0.121 123.014 122.820 0.122 0.000 1.986 112 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 112 A C 2.352 180.044 177.584 0.180 0.000 1.171 112 A CA 1.772 53.882 52.037 0.122 0.000 0.640 112 A CB -1.035 18.029 19.000 0.106 0.000 0.811 112 A HN 0.520 nan 8.150 nan 0.000 0.451 113 Y N 0.043 120.390 120.300 0.079 0.000 2.269 113 Y HA 0.188 4.738 4.550 -0.000 0.000 0.294 113 Y C 2.608 178.616 175.900 0.181 0.000 1.120 113 Y CA 0.667 58.812 58.100 0.075 0.000 1.159 113 Y CB -0.688 37.848 38.460 0.128 0.000 1.024 113 Y HN 0.276 nan 8.280 nan 0.000 0.532 114 A N 0.645 123.566 122.820 0.168 0.000 1.902 114 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 114 A C 2.417 180.053 177.584 0.086 0.000 1.181 114 A CA 2.023 54.127 52.037 0.111 0.000 0.623 114 A CB -1.452 17.596 19.000 0.080 0.000 0.818 114 A HN 0.562 nan 8.150 nan 0.000 0.443 115 A N 0.280 123.148 122.820 0.080 0.000 1.930 115 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 115 A C 2.494 180.245 177.584 0.278 0.000 1.175 115 A CA 2.219 54.359 52.037 0.172 0.000 0.627 115 A CB -0.998 18.073 19.000 0.118 0.000 0.815 115 A HN 1.063 nan 8.150 nan 0.000 0.443 116 S N -0.950 114.821 115.700 0.119 0.000 2.400 116 S HA -0.165 4.305 4.470 -0.000 0.000 0.232 116 S C 1.683 176.205 174.600 -0.130 0.000 1.025 116 S CA 1.528 59.700 58.200 -0.046 0.000 0.993 116 S CB -0.741 62.355 63.200 -0.173 0.000 0.808 116 S HN 0.361 nan 8.310 nan 0.000 0.478 117 F N 1.542 121.472 119.950 -0.034 0.000 2.163 117 F HA 0.257 4.783 4.527 -0.000 0.000 0.297 117 F C 2.201 178.154 175.800 0.256 0.000 1.094 117 F CA 0.612 58.661 58.000 0.082 0.000 1.290 117 F CB -0.464 38.537 39.000 0.001 0.000 1.017 117 F HN 0.179 nan 8.300 nan 0.000 0.483 118 I N -0.359 120.376 120.570 0.275 0.000 2.315 118 I HA -0.236 3.933 4.170 -0.000 0.000 0.248 118 I C 2.467 178.650 176.117 0.109 0.000 1.117 118 I CA 1.286 62.688 61.300 0.170 0.000 1.404 118 I CB -0.453 37.468 38.000 -0.133 0.000 1.071 118 I HN 0.182 nan 8.210 nan 0.000 0.419 119 E N 1.044 121.193 120.200 -0.085 0.000 2.017 119 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 119 E C 2.186 178.696 176.600 -0.150 0.000 0.997 119 E CA 1.650 57.798 56.400 -0.420 0.000 0.804 119 E CB -0.343 28.870 29.700 -0.811 0.000 0.757 119 E HN 0.584 nan 8.360 nan 0.000 0.448 120 W N 0.426 121.573 121.300 -0.254 0.000 2.304 120 W HA -0.280 4.380 4.660 -0.000 0.000 0.315 120 W C 1.723 178.073 176.519 -0.282 0.000 1.233 120 W CA 1.466 58.623 57.345 -0.313 0.000 1.261 120 W CB -0.511 28.672 29.460 -0.461 0.000 1.150 120 W HN 0.156 nan 8.180 nan 0.000 0.494 121 F N 0.693 120.720 119.950 0.130 0.000 2.325 121 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 121 F C 2.699 178.482 175.800 -0.028 0.000 1.090 121 F CA 1.658 59.693 58.000 0.059 0.000 1.392 121 F CB -1.332 37.775 39.000 0.178 0.000 1.053 121 F HN -0.114 nan 8.300 nan 0.000 0.521 122 A N 0.198 123.090 122.820 0.120 0.000 1.908 122 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 122 A C 2.119 179.661 177.584 -0.070 0.000 1.181 122 A CA 2.031 54.095 52.037 0.045 0.000 0.627 122 A CB -0.721 18.294 19.000 0.026 0.000 0.818 122 A HN 0.446 nan 8.150 nan 0.000 0.445 123 E N -0.709 119.373 120.200 -0.196 0.000 2.107 123 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 123 E C 1.990 178.395 176.600 -0.325 0.000 0.982 123 E CA 0.905 57.130 56.400 -0.293 0.000 0.809 123 E CB -0.105 29.339 29.700 -0.426 0.000 0.756 123 E HN 0.493 nan 8.360 nan 0.000 0.459 124 E N 0.337 120.302 120.200 -0.391 0.000 2.106 124 E HA -0.111 4.238 4.350 -0.000 0.000 0.192 124 E C 2.226 178.776 176.600 -0.084 0.000 0.984 124 E CA 0.993 57.227 56.400 -0.277 0.000 0.806 124 E CB -0.477 29.095 29.700 -0.213 0.000 0.750 124 E HN 0.348 nan 8.360 nan 0.000 0.458 125 G N 1.579 110.368 108.800 -0.017 0.000 2.462 125 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 125 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 125 G C 1.405 176.285 174.900 -0.032 0.000 1.121 125 G CA 0.523 45.631 45.100 0.013 0.000 0.758 125 G HN 0.230 nan 8.290 nan 0.000 0.559 126 K N -0.290 120.069 120.400 -0.068 0.000 2.487 126 K HA 0.158 4.477 4.320 -0.000 0.000 0.192 126 K C 1.421 177.975 176.600 -0.077 0.000 1.027 126 K CA 0.109 56.351 56.287 -0.075 0.000 1.054 126 K CB 0.367 32.814 32.500 -0.089 0.000 0.824 126 K HN 0.187 nan 8.250 nan 0.000 0.510 127 R N 0.416 120.870 120.500 -0.077 0.000 2.566 127 R HA 0.141 4.481 4.340 -0.000 0.000 0.388 127 R C -0.545 175.722 176.300 -0.055 0.000 0.989 127 R CA -0.126 55.924 56.100 -0.083 0.000 1.164 127 R CB 1.251 31.474 30.300 -0.128 0.000 1.459 127 R HN -0.141 nan 8.270 nan 0.000 0.553 128 V N 2.131 122.032 119.914 -0.022 0.000 2.403 128 V HA 0.287 4.407 4.120 -0.000 0.000 0.265 128 V C 0.329 176.423 176.094 -0.000 0.000 1.034 128 V CA -0.105 62.201 62.300 0.010 0.000 1.036 128 V CB 0.660 32.509 31.823 0.044 0.000 1.032 128 V HN 0.206 nan 8.190 nan 0.000 0.478 129 A N 4.494 127.310 122.820 -0.007 0.000 2.355 129 A HA 0.898 5.218 4.320 -0.000 0.000 0.317 129 A C 0.450 178.034 177.584 0.000 0.000 1.094 129 A CA 0.049 52.078 52.037 -0.014 0.000 0.764 129 A CB 1.618 20.596 19.000 -0.038 0.000 1.230 129 A HN 0.836 nan 8.150 nan 0.000 0.448 130 G N 0.078 108.881 108.800 0.006 0.000 2.773 130 G HA2 0.622 4.582 3.960 -0.000 0.000 0.186 130 G HA3 0.622 4.582 3.960 -0.000 0.000 0.186 130 G C -1.008 173.898 174.900 0.009 0.000 1.411 130 G CA -0.347 44.762 45.100 0.016 0.000 1.054 130 G HN 0.657 nan 8.290 nan 0.000 0.579 131 D N -0.409 120.002 120.400 0.018 0.000 2.859 131 D HA 0.430 5.070 4.640 -0.000 0.000 0.223 131 D C -0.815 175.498 176.300 0.021 0.000 1.218 131 D CA -0.211 53.797 54.000 0.013 0.000 0.850 131 D CB 1.899 42.706 40.800 0.011 0.000 1.656 131 D HN 0.507 nan 8.370 nan 0.000 0.484 132 T N -0.578 113.984 114.554 0.014 0.000 2.770 132 T HA 0.714 5.064 4.350 -0.000 0.000 0.283 132 T C -0.130 174.578 174.700 0.013 0.000 0.988 132 T CA -0.679 61.432 62.100 0.019 0.000 0.957 132 T CB 0.682 69.558 68.868 0.014 0.000 0.930 132 T HN 0.212 nan 8.240 nan 0.000 0.443 133 L N 3.384 124.618 121.223 0.018 0.000 2.333 133 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 133 L C -2.307 174.569 176.870 0.010 0.000 1.010 133 L CA -2.794 52.050 54.840 0.007 0.000 0.818 133 L CB 1.792 43.847 42.059 -0.007 0.000 1.306 133 L HN 0.441 nan 8.230 nan 0.000 0.430 134 P HA 0.080 nan 4.420 nan 0.000 0.271 134 P C -0.406 176.899 177.300 0.007 0.000 1.220 134 P CA -0.128 62.974 63.100 0.005 0.000 0.768 134 P CB 0.781 32.481 31.700 -0.000 0.000 0.848 135 T N 3.369 117.932 114.554 0.015 0.000 2.904 135 T HA 0.321 4.671 4.350 -0.000 0.000 0.290 135 T C -1.400 173.308 174.700 0.013 0.000 1.018 135 T CA -1.500 60.613 62.100 0.021 0.000 1.075 135 T CB 0.065 68.952 68.868 0.031 0.000 0.986 135 T HN 0.264 nan 8.240 nan 0.000 0.523 136 P HA 0.322 nan 4.420 nan 0.000 0.261 136 P C -0.577 176.732 177.300 0.015 0.000 1.268 136 P CA 0.150 63.257 63.100 0.010 0.000 0.833 136 P CB 0.353 32.057 31.700 0.006 0.000 1.231 137 D N -0.152 120.261 120.400 0.021 0.000 2.542 137 D HA 0.383 5.023 4.640 -0.000 0.000 0.252 137 D C 0.861 177.172 176.300 0.019 0.000 1.222 137 D CA -0.559 53.453 54.000 0.021 0.000 0.895 137 D CB 1.992 42.808 40.800 0.027 0.000 1.207 137 D HN -0.159 nan 8.370 nan 0.000 0.558 138 A N 3.994 126.823 122.820 0.014 0.000 2.076 138 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 138 A C 1.535 179.126 177.584 0.012 0.000 1.160 138 A CA 1.082 53.126 52.037 0.011 0.000 0.653 138 A CB -0.169 18.836 19.000 0.008 0.000 0.801 138 A HN 0.549 nan 8.150 nan 0.000 0.455 139 N N -0.308 118.400 118.700 0.012 0.000 2.461 139 N HA 0.075 4.815 4.740 -0.000 0.000 0.188 139 N C -0.122 175.396 175.510 0.013 0.000 1.134 139 N CA 0.662 53.719 53.050 0.010 0.000 0.878 139 N CB 0.147 38.639 38.487 0.009 0.000 0.972 139 N HN 0.560 nan 8.380 nan 0.000 0.456 140 K N -0.305 120.107 120.400 0.020 0.000 2.509 140 K HA 0.495 4.815 4.320 -0.000 0.000 0.266 140 K C -0.958 175.663 176.600 0.036 0.000 0.987 140 K CA -0.746 55.557 56.287 0.027 0.000 0.868 140 K CB 1.904 34.427 32.500 0.039 0.000 1.421 140 K HN -0.285 nan 8.250 nan 0.000 0.444 141 R N 1.394 121.920 120.500 0.043 0.000 2.532 141 R HA 0.473 4.813 4.340 -0.000 0.000 0.297 141 R C -1.259 175.096 176.300 0.091 0.000 0.984 141 R CA -0.537 55.594 56.100 0.051 0.000 0.884 141 R CB 0.888 31.206 30.300 0.030 0.000 1.182 141 R HN 0.543 nan 8.270 nan 0.000 0.442 142 I N 3.549 124.187 120.570 0.113 0.000 2.312 142 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 142 I C -0.372 175.826 176.117 0.134 0.000 1.031 142 I CA -0.677 60.736 61.300 0.189 0.000 1.293 142 I CB 1.154 39.232 38.000 0.130 0.000 1.403 142 I HN 0.082 nan 8.210 nan 0.000 0.484 143 V N 7.392 127.402 119.914 0.160 0.000 2.531 143 V HA 0.406 4.526 4.120 -0.000 0.000 0.301 143 V C -0.185 175.994 176.094 0.141 0.000 1.034 143 V CA -0.684 61.677 62.300 0.103 0.000 0.865 143 V CB 2.230 34.086 31.823 0.054 0.000 0.995 143 V HN 0.373 nan 8.190 nan 0.000 0.424 144 V N 5.696 125.672 119.914 0.104 0.000 2.448 144 V HA 0.651 4.771 4.120 -0.000 0.000 0.295 144 V C -0.079 176.054 176.094 0.065 0.000 1.025 144 V CA -0.496 61.867 62.300 0.105 0.000 0.859 144 V CB 1.958 33.829 31.823 0.081 0.000 0.988 144 V HN 0.775 nan 8.190 nan 0.000 0.431 145 V N 2.821 122.774 119.914 0.064 0.000 3.103 145 V HA 0.772 4.891 4.120 -0.000 0.000 0.318 145 V C -0.610 175.516 176.094 0.054 0.000 1.114 145 V CA -0.968 61.359 62.300 0.045 0.000 1.020 145 V CB 2.161 34.002 31.823 0.031 0.000 1.085 145 V HN 0.786 nan 8.190 nan 0.000 0.446 146 K N 1.117 121.546 120.400 0.049 0.000 2.318 146 K HA 0.723 5.043 4.320 -0.000 0.000 0.249 146 K C -1.179 175.462 176.600 0.069 0.000 0.942 146 K CA -0.598 55.728 56.287 0.064 0.000 0.808 146 K CB 2.195 34.735 32.500 0.066 0.000 1.189 146 K HN 1.034 nan 8.250 nan 0.000 0.428 147 E N 1.278 121.536 120.200 0.096 0.000 2.375 147 E HA 0.324 4.674 4.350 -0.000 0.000 0.280 147 E C -2.997 173.716 176.600 0.188 0.000 0.972 147 E CA -2.361 54.111 56.400 0.120 0.000 0.782 147 E CB 1.811 31.569 29.700 0.097 0.000 1.229 147 E HN 0.171 nan 8.360 nan 0.000 0.439 148 P HA -0.056 nan 4.420 nan 0.000 0.265 148 P C 0.533 178.045 177.300 0.353 0.000 1.187 148 P CA 0.144 63.446 63.100 0.337 0.000 0.766 148 P CB 1.070 33.087 31.700 0.529 0.000 0.820 149 I N 1.191 121.869 120.570 0.181 0.000 2.315 149 I HA -0.024 4.145 4.170 -0.000 0.000 0.248 149 I C 1.077 177.135 176.117 -0.097 0.000 1.117 149 I CA 1.970 63.319 61.300 0.082 0.000 1.404 149 I CB -0.321 37.698 38.000 0.032 0.000 1.071 149 I HN 0.730 nan 8.210 nan 0.000 0.419 150 G N -0.586 107.930 108.800 -0.472 0.000 2.250 150 G HA2 -0.075 3.884 3.960 -0.000 0.000 0.252 150 G HA3 -0.075 3.884 3.960 -0.000 0.000 0.252 150 G C -0.887 173.498 174.900 -0.859 0.000 1.325 150 G CA -0.283 44.029 45.100 -1.313 0.000 1.091 150 G HN -0.011 nan 8.290 nan 0.000 0.476 151 V N 0.481 120.016 119.914 -0.633 0.000 2.585 151 V HA 0.386 4.505 4.120 -0.000 0.000 0.296 151 V C 0.773 176.749 176.094 -0.196 0.000 1.035 151 V CA -0.013 62.076 62.300 -0.352 0.000 1.084 151 V CB 0.300 31.991 31.823 -0.221 0.000 0.953 151 V HN 0.858 nan 8.190 nan 0.000 0.483 152 C N 4.213 123.437 119.300 -0.126 0.000 2.470 152 C HA 0.934 5.394 4.460 -0.000 0.000 0.341 152 C C 0.657 175.633 174.990 -0.023 0.000 1.190 152 C CA -0.564 58.438 59.018 -0.027 0.000 1.904 152 C CB 1.193 28.978 27.740 0.074 0.000 2.354 152 C HN 1.040 nan 8.230 nan 0.000 0.509 153 A N 0.935 123.762 122.820 0.011 0.000 2.387 153 A HA 1.011 5.331 4.320 -0.000 0.000 0.303 153 A C -0.876 176.734 177.584 0.044 0.000 1.145 153 A CA -0.359 51.685 52.037 0.013 0.000 0.801 153 A CB 1.186 20.191 19.000 0.009 0.000 1.342 153 A HN 1.799 nan 8.150 nan 0.000 0.440 154 A N 0.463 123.307 122.820 0.040 0.000 2.500 154 A HA 0.598 4.918 4.320 -0.000 0.000 0.291 154 A C -1.285 176.334 177.584 0.058 0.000 1.048 154 A CA -0.212 51.855 52.037 0.050 0.000 0.791 154 A CB 0.436 19.450 19.000 0.023 0.000 1.309 154 A HN 0.696 nan 8.150 nan 0.000 0.397 155 I N 3.121 123.752 120.570 0.102 0.000 2.355 155 I HA 0.466 4.636 4.170 -0.000 0.000 0.288 155 I C 0.605 176.725 176.117 0.006 0.000 0.999 155 I CA -0.352 61.028 61.300 0.134 0.000 1.163 155 I CB 2.112 40.319 38.000 0.345 0.000 1.316 155 I HN 0.755 nan 8.210 nan 0.000 0.454 156 T N 4.160 118.696 114.554 -0.029 0.000 2.950 156 T HA 0.689 5.039 4.350 -0.000 0.000 0.288 156 T C -2.606 172.013 174.700 -0.134 0.000 1.035 156 T CA -1.919 60.112 62.100 -0.114 0.000 1.028 156 T CB 2.276 71.107 68.868 -0.062 0.000 1.109 156 T HN 0.253 nan 8.240 nan 0.000 0.514 157 P HA 0.362 nan 4.420 nan 0.000 0.310 157 P C 0.323 177.526 177.300 -0.162 0.000 1.309 157 P CA -0.762 62.147 63.100 -0.319 0.000 0.769 157 P CB 0.998 32.382 31.700 -0.527 0.000 1.327 158 W N -0.977 120.293 121.300 -0.051 0.000 3.008 158 W HA 0.180 4.840 4.660 -0.000 0.000 0.355 158 W C 0.547 177.043 176.519 -0.039 0.000 1.095 158 W CA -0.210 57.112 57.345 -0.038 0.000 1.738 158 W CB -1.288 28.140 29.460 -0.054 0.000 1.091 158 W HN 0.087 nan 8.180 nan 0.000 0.574 159 N N 1.813 120.369 118.700 -0.240 0.000 2.188 159 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 159 N C -0.179 175.303 175.510 -0.046 0.000 1.018 159 N CA 1.062 54.051 53.050 -0.102 0.000 0.858 159 N CB -0.667 37.738 38.487 -0.137 0.000 0.989 159 N HN 0.110 nan 8.380 nan 0.000 0.426 160 F N 0.638 120.572 119.950 -0.027 0.000 2.646 160 F HA 0.309 4.836 4.527 -0.000 0.000 0.336 160 F C -1.893 173.918 175.800 0.018 0.000 1.437 160 F CA -1.599 56.418 58.000 0.029 0.000 1.142 160 F CB 2.009 41.029 39.000 0.033 0.000 1.530 160 F HN -0.125 nan 8.300 nan 0.000 0.591 161 P HA -0.026 nan 4.420 nan 0.000 0.242 161 P C 0.958 178.327 177.300 0.114 0.000 1.197 161 P CA 0.856 64.027 63.100 0.119 0.000 0.765 161 P CB 0.487 32.267 31.700 0.133 0.000 0.936 162 A N 0.555 123.456 122.820 0.136 0.000 1.909 162 A HA 0.383 4.703 4.320 -0.000 0.000 0.210 162 A C 2.397 180.044 177.584 0.105 0.000 1.273 162 A CA 0.960 53.074 52.037 0.128 0.000 0.654 162 A CB -1.283 17.796 19.000 0.133 0.000 0.945 162 A HN 0.122 nan 8.150 nan 0.000 0.471 163 A N -0.459 122.451 122.820 0.150 0.000 1.940 163 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 163 A C 2.175 179.677 177.584 -0.136 0.000 1.176 163 A CA 2.105 54.171 52.037 0.049 0.000 0.631 163 A CB -0.595 18.516 19.000 0.185 0.000 0.814 163 A HN 0.413 nan 8.150 nan 0.000 0.446 164 M N -1.037 118.517 119.600 -0.078 0.000 2.080 164 M HA -0.148 4.332 4.480 -0.000 0.000 0.260 164 M C 2.114 178.335 176.300 -0.133 0.000 1.068 164 M CA 1.409 56.612 55.300 -0.161 0.000 1.109 164 M CB -1.263 31.279 32.600 -0.098 0.000 1.342 164 M HN 0.365 nan 8.290 nan 0.000 0.405 165 I N 0.579 121.128 120.570 -0.035 0.000 2.208 165 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 165 I C 2.562 178.704 176.117 0.042 0.000 1.097 165 I CA 1.578 62.892 61.300 0.023 0.000 1.363 165 I CB -0.761 37.297 38.000 0.096 0.000 1.051 165 I HN 0.235 nan 8.210 nan 0.000 0.413 166 A N -0.105 122.709 122.820 -0.009 0.000 1.930 166 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 166 A C 2.402 179.898 177.584 -0.146 0.000 1.175 166 A CA 1.322 53.335 52.037 -0.040 0.000 0.627 166 A CB -0.522 18.424 19.000 -0.090 0.000 0.815 166 A HN 0.338 nan 8.150 nan 0.000 0.443 167 R N -0.640 119.638 120.500 -0.371 0.000 2.285 167 R HA -0.013 4.327 4.340 -0.000 0.000 0.213 167 R C 1.528 177.614 176.300 -0.356 0.000 1.068 167 R CA 1.211 56.977 56.100 -0.555 0.000 1.004 167 R CB -0.014 29.797 30.300 -0.814 0.000 0.873 167 R HN 0.502 nan 8.270 nan 0.000 0.467 168 K N -0.804 119.457 120.400 -0.232 0.000 2.344 168 K HA 0.106 4.425 4.320 -0.000 0.000 0.200 168 K C 1.844 178.309 176.600 -0.224 0.000 1.132 168 K CA 0.275 56.458 56.287 -0.173 0.000 0.935 168 K CB 0.363 32.820 32.500 -0.073 0.000 1.089 168 K HN -0.094 nan 8.250 nan 0.000 0.496 169 V N 1.737 121.585 119.914 -0.109 0.000 2.515 169 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 169 V C 2.313 178.377 176.094 -0.050 0.000 1.058 169 V CA 2.193 64.456 62.300 -0.062 0.000 1.064 169 V CB -0.984 30.881 31.823 0.070 0.000 0.675 169 V HN 0.454 nan 8.190 nan 0.000 0.461 170 G N 1.496 110.274 108.800 -0.036 0.000 2.552 170 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 170 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 170 G C 0.114 174.870 174.900 -0.241 0.000 1.240 170 G CA 1.326 46.428 45.100 0.003 0.000 0.796 170 G HN 0.549 nan 8.290 nan 0.000 0.568 171 P HA -0.091 nan 4.420 nan 0.000 0.215 171 P C 2.134 179.036 177.300 -0.664 0.000 1.153 171 P CA 2.176 64.783 63.100 -0.822 0.000 0.853 171 P CB -0.278 30.768 31.700 -1.089 0.000 0.788 172 A N 0.200 122.447 122.820 -0.955 0.000 1.869 172 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 172 A C 2.275 179.778 177.584 -0.134 0.000 1.203 172 A CA 2.079 53.711 52.037 -0.674 0.000 0.638 172 A CB -1.715 17.002 19.000 -0.473 0.000 0.831 172 A HN 0.097 nan 8.150 nan 0.000 0.450 173 L N -0.620 120.603 121.223 0.000 0.000 2.083 173 L HA -0.084 4.255 4.340 -0.000 0.000 0.209 173 L C 2.977 180.077 176.870 0.384 0.000 1.083 173 L CA 1.867 56.914 54.840 0.344 0.000 0.752 173 L CB -0.970 41.272 42.059 0.305 0.000 0.899 173 L HN 0.422 nan 8.230 nan 0.000 0.433 174 A N -0.757 122.177 122.820 0.190 0.000 1.898 174 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 174 A C 2.413 180.059 177.584 0.103 0.000 1.181 174 A CA 1.430 53.559 52.037 0.153 0.000 0.620 174 A CB -0.829 18.287 19.000 0.195 0.000 0.819 174 A HN 0.351 nan 8.150 nan 0.000 0.442 175 A N -1.716 121.170 122.820 0.110 0.000 2.172 175 A HA 0.340 4.660 4.320 -0.000 0.000 0.216 175 A C 1.788 179.457 177.584 0.142 0.000 1.154 175 A CA 1.548 53.664 52.037 0.132 0.000 0.701 175 A CB -0.906 18.201 19.000 0.178 0.000 0.789 175 A HN 1.967 nan 8.150 nan 0.000 0.465 176 G N -2.767 106.130 108.800 0.162 0.000 2.145 176 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.176 176 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.176 176 G C -0.092 175.110 174.900 0.503 0.000 1.013 176 G CA -0.182 45.019 45.100 0.167 0.000 0.689 176 G HN 0.608 nan 8.290 nan 0.000 0.506 177 C N 1.585 121.153 119.300 0.446 0.000 2.435 177 C HA 0.835 5.295 4.460 -0.000 0.000 0.333 177 C C -1.782 173.295 174.990 0.146 0.000 1.202 177 C CA -1.431 57.721 59.018 0.223 0.000 1.830 177 C CB 1.980 29.744 27.740 0.040 0.000 2.326 177 C HN 0.418 nan 8.230 nan 0.000 0.507 178 P HA 0.578 nan 4.420 nan 0.000 0.286 178 P C -1.139 176.060 177.300 -0.168 0.000 1.261 178 P CA -0.221 62.771 63.100 -0.180 0.000 0.821 178 P CB 1.467 33.086 31.700 -0.136 0.000 1.013 179 I N 1.548 122.017 120.570 -0.168 0.000 2.686 179 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 179 I C -1.348 174.708 176.117 -0.102 0.000 1.114 179 I CA -1.248 59.979 61.300 -0.121 0.000 1.038 179 I CB 2.360 40.291 38.000 -0.114 0.000 1.238 179 I HN -0.041 nan 8.210 nan 0.000 0.420 180 V N 7.601 127.474 119.914 -0.069 0.000 2.334 180 V HA 0.383 4.502 4.120 -0.000 0.000 0.281 180 V C -0.383 175.695 176.094 -0.027 0.000 1.016 180 V CA -0.517 61.752 62.300 -0.051 0.000 0.832 180 V CB 1.566 33.361 31.823 -0.046 0.000 0.999 180 V HN 0.426 nan 8.190 nan 0.000 0.439 181 V N 5.158 125.059 119.914 -0.021 0.000 2.398 181 V HA 0.450 4.570 4.120 -0.000 0.000 0.286 181 V C 0.118 176.220 176.094 0.014 0.000 1.026 181 V CA -0.907 61.392 62.300 -0.002 0.000 0.868 181 V CB 1.714 33.534 31.823 -0.006 0.000 0.982 181 V HN 0.798 nan 8.190 nan 0.000 0.443 182 K N 7.369 127.787 120.400 0.030 0.000 2.281 182 K HA 0.434 4.754 4.320 -0.000 0.000 0.272 182 K C -2.540 174.089 176.600 0.050 0.000 1.048 182 K CA -1.744 54.569 56.287 0.043 0.000 0.898 182 K CB 1.734 34.265 32.500 0.051 0.000 1.128 182 K HN 0.422 nan 8.250 nan 0.000 0.460 183 P HA 0.068 nan 4.420 nan 0.000 0.276 183 P C -0.850 176.496 177.300 0.076 0.000 1.261 183 P CA -0.484 62.651 63.100 0.057 0.000 0.800 183 P CB 0.658 32.392 31.700 0.057 0.000 1.066 184 A N 0.418 123.294 122.820 0.094 0.000 2.537 184 A HA 0.306 4.626 4.320 -0.000 0.000 0.260 184 A C 1.350 179.009 177.584 0.125 0.000 1.082 184 A CA 0.367 52.490 52.037 0.143 0.000 0.765 184 A CB -1.364 17.785 19.000 0.248 0.000 1.019 184 A HN 0.613 nan 8.150 nan 0.000 0.507 185 E N 1.683 121.934 120.200 0.085 0.000 2.608 185 E HA 0.167 4.517 4.350 -0.000 0.000 0.213 185 E C 1.022 177.646 176.600 0.040 0.000 1.356 185 E CA 1.029 57.440 56.400 0.019 0.000 1.201 185 E CB -0.656 28.953 29.700 -0.152 0.000 1.210 185 E HN 1.350 nan 8.360 nan 0.000 0.456 186 S N -1.506 114.266 115.700 0.120 0.000 3.102 186 S HA 0.050 4.520 4.470 -0.000 0.000 0.265 186 S C 1.115 175.751 174.600 0.059 0.000 1.072 186 S CA 0.885 59.139 58.200 0.090 0.000 0.946 186 S CB 0.497 63.673 63.200 -0.040 0.000 0.901 186 S HN 0.798 nan 8.310 nan 0.000 0.437 187 T N 1.122 115.713 114.554 0.061 0.000 3.327 187 T HA 0.638 4.987 4.350 -0.000 0.000 0.373 187 T C -2.457 172.236 174.700 -0.012 0.000 1.589 187 T CA -1.232 60.886 62.100 0.030 0.000 1.497 187 T CB 1.555 70.483 68.868 0.100 0.000 1.032 187 T HN 0.242 nan 8.240 nan 0.000 0.640 188 P HA 0.286 nan 4.420 nan 0.000 0.268 188 P C 0.952 178.158 177.300 -0.158 0.000 1.248 188 P CA -0.290 62.711 63.100 -0.166 0.000 0.851 188 P CB -0.006 31.567 31.700 -0.211 0.000 1.238 189 F N 1.061 121.024 119.950 0.021 0.000 2.102 189 F HA -0.121 4.406 4.527 -0.000 0.000 0.298 189 F C 2.581 178.405 175.800 0.041 0.000 1.105 189 F CA 1.405 59.401 58.000 -0.007 0.000 1.239 189 F CB -1.772 37.192 39.000 -0.060 0.000 0.991 189 F HN -0.130 nan 8.300 nan 0.000 0.474 190 S N 0.173 116.006 115.700 0.223 0.000 2.381 190 S HA -0.323 4.147 4.470 -0.000 0.000 0.230 190 S C 2.352 177.050 174.600 0.164 0.000 1.052 190 S CA 1.455 59.757 58.200 0.170 0.000 1.068 190 S CB -0.885 62.398 63.200 0.139 0.000 0.918 190 S HN 0.413 nan 8.310 nan 0.000 0.448 191 A N 0.959 123.861 122.820 0.136 0.000 1.877 191 A HA 0.001 4.320 4.320 -0.000 0.000 0.216 191 A C 2.137 179.810 177.584 0.149 0.000 1.186 191 A CA 1.267 53.379 52.037 0.125 0.000 0.620 191 A CB -0.679 18.372 19.000 0.084 0.000 0.822 191 A HN 0.472 nan 8.150 nan 0.000 0.443 192 L N -0.848 120.481 121.223 0.177 0.000 2.141 192 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 192 L C 3.053 180.128 176.870 0.343 0.000 1.094 192 L CA 0.785 55.785 54.840 0.268 0.000 0.763 192 L CB -0.527 41.714 42.059 0.303 0.000 0.908 192 L HN 0.444 nan 8.230 nan 0.000 0.437 193 A N -0.224 122.760 122.820 0.272 0.000 1.858 193 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 193 A C 2.248 180.020 177.584 0.312 0.000 1.190 193 A CA 1.937 54.143 52.037 0.281 0.000 0.617 193 A CB -0.535 18.589 19.000 0.206 0.000 0.827 193 A HN 0.275 nan 8.150 nan 0.000 0.443 194 M N 0.040 119.809 119.600 0.280 0.000 2.089 194 M HA -0.195 4.284 4.480 -0.000 0.000 0.257 194 M C 2.261 178.709 176.300 0.246 0.000 1.071 194 M CA 1.939 57.465 55.300 0.377 0.000 1.096 194 M CB -0.592 32.230 32.600 0.369 0.000 1.330 194 M HN 0.447 nan 8.290 nan 0.000 0.403 195 A N -1.145 121.709 122.820 0.057 0.000 1.933 195 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 195 A C 2.083 179.510 177.584 -0.261 0.000 1.175 195 A CA 1.683 53.549 52.037 -0.285 0.000 0.628 195 A CB -1.181 17.564 19.000 -0.424 0.000 0.814 195 A HN 0.578 nan 8.150 nan 0.000 0.444 196 F N 0.631 120.588 119.950 0.012 0.000 2.113 196 F HA -0.086 4.441 4.527 -0.000 0.000 0.297 196 F C 1.850 177.687 175.800 0.062 0.000 1.103 196 F CA 1.455 59.578 58.000 0.204 0.000 1.248 196 F CB -0.501 38.670 39.000 0.285 0.000 0.999 196 F HN 0.131 nan 8.300 nan 0.000 0.475 197 L N -0.057 121.139 121.223 -0.046 0.000 2.131 197 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 197 L C 2.731 179.527 176.870 -0.123 0.000 1.092 197 L CA 1.105 55.905 54.840 -0.067 0.000 0.759 197 L CB -1.167 41.033 42.059 0.235 0.000 0.903 197 L HN 0.230 nan 8.230 nan 0.000 0.435 198 A N -0.258 122.322 122.820 -0.400 0.000 1.972 198 A HA -0.253 4.066 4.320 -0.000 0.000 0.219 198 A C 2.272 179.602 177.584 -0.423 0.000 1.169 198 A CA 1.839 53.391 52.037 -0.807 0.000 0.635 198 A CB -0.413 17.849 19.000 -1.230 0.000 0.810 198 A HN 0.490 nan 8.150 nan 0.000 0.446 199 E N -0.417 119.587 120.200 -0.328 0.000 2.047 199 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 199 E C 2.272 178.786 176.600 -0.144 0.000 0.987 199 E CA 0.974 57.271 56.400 -0.170 0.000 0.799 199 E CB -0.148 29.540 29.700 -0.021 0.000 0.752 199 E HN 0.564 nan 8.360 nan 0.000 0.449 200 R N -0.124 120.235 120.500 -0.234 0.000 2.096 200 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 200 R C 2.167 178.426 176.300 -0.068 0.000 1.127 200 R CA 1.159 57.154 56.100 -0.174 0.000 0.968 200 R CB -0.218 29.931 30.300 -0.252 0.000 0.861 200 R HN 0.224 nan 8.270 nan 0.000 0.440 201 A N -0.641 122.151 122.820 -0.045 0.000 1.902 201 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 201 A C 1.557 179.160 177.584 0.031 0.000 1.181 201 A CA 1.688 53.748 52.037 0.038 0.000 0.623 201 A CB -0.289 18.776 19.000 0.108 0.000 0.818 201 A HN 0.565 nan 8.150 nan 0.000 0.443 202 G N -2.707 106.084 108.800 -0.016 0.000 2.200 202 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.145 202 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.145 202 G C -0.032 174.867 174.900 -0.001 0.000 1.021 202 G CA -0.143 44.964 45.100 0.012 0.000 0.720 202 G HN 0.715 nan 8.290 nan 0.000 0.494 203 V N 2.526 122.382 119.914 -0.096 0.000 2.434 203 V HA 0.232 4.352 4.120 -0.000 0.000 0.281 203 V C -1.037 174.956 176.094 -0.169 0.000 1.005 203 V CA -0.601 61.577 62.300 -0.203 0.000 1.089 203 V CB 0.409 31.999 31.823 -0.389 0.000 0.978 203 V HN 0.211 nan 8.190 nan 0.000 0.474 204 P HA 0.134 nan 4.420 nan 0.000 0.266 204 P C 0.151 177.393 177.300 -0.096 0.000 1.186 204 P CA 0.169 63.233 63.100 -0.061 0.000 0.767 204 P CB 0.299 32.002 31.700 0.005 0.000 0.820 205 K N 1.787 122.160 120.400 -0.044 0.000 2.491 205 K HA 0.360 4.680 4.320 -0.000 0.000 0.279 205 K C 1.407 177.951 176.600 -0.094 0.000 1.026 205 K CA 0.365 56.614 56.287 -0.064 0.000 1.070 205 K CB -1.346 31.124 32.500 -0.052 0.000 0.887 205 K HN 0.942 nan 8.250 nan 0.000 0.481 206 G N 0.443 109.165 108.800 -0.130 0.000 2.254 206 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.225 206 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.225 206 G C 1.456 176.265 174.900 -0.150 0.000 1.003 206 G CA 0.548 45.572 45.100 -0.128 0.000 0.622 206 G HN 1.076 nan 8.290 nan 0.000 0.507 207 V N 0.412 120.193 119.914 -0.222 0.000 2.343 207 V HA 0.184 4.304 4.120 -0.000 0.000 0.247 207 V C 1.395 177.296 176.094 -0.322 0.000 1.051 207 V CA 2.129 64.203 62.300 -0.377 0.000 1.036 207 V CB -0.248 31.119 31.823 -0.759 0.000 0.654 207 V HN 0.564 nan 8.190 nan 0.000 0.451 208 L N -0.714 120.361 121.223 -0.247 0.000 2.342 208 L HA 0.688 5.028 4.340 -0.000 0.000 0.271 208 L C -0.541 176.320 176.870 -0.015 0.000 1.008 208 L CA 0.204 54.937 54.840 -0.177 0.000 0.818 208 L CB 2.087 43.974 42.059 -0.286 0.000 1.296 208 L HN 0.047 nan 8.230 nan 0.000 0.427 209 S N 2.528 118.215 115.700 -0.022 0.000 2.543 209 S HA 0.664 5.133 4.470 -0.000 0.000 0.271 209 S C -1.441 173.162 174.600 0.005 0.000 1.148 209 S CA -0.579 57.631 58.200 0.018 0.000 0.914 209 S CB 1.943 65.100 63.200 -0.071 0.000 1.096 209 S HN 0.381 nan 8.310 nan 0.000 0.471 210 V N 3.242 123.174 119.914 0.031 0.000 2.326 210 V HA 0.400 4.520 4.120 -0.000 0.000 0.281 210 V C -0.425 175.679 176.094 0.017 0.000 1.015 210 V CA -0.599 61.710 62.300 0.016 0.000 0.823 210 V CB 1.414 33.249 31.823 0.020 0.000 1.009 210 V HN 0.712 nan 8.190 nan 0.000 0.436 211 V N 6.886 126.809 119.914 0.016 0.000 2.432 211 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 211 V C 0.079 176.205 176.094 0.053 0.000 1.043 211 V CA -0.203 62.111 62.300 0.022 0.000 0.925 211 V CB 1.402 33.231 31.823 0.010 0.000 0.985 211 V HN 0.630 nan 8.190 nan 0.000 0.466 212 I N 3.931 124.547 120.570 0.077 0.000 2.530 212 I HA 0.905 5.075 4.170 -0.000 0.000 0.297 212 I C 0.738 176.951 176.117 0.161 0.000 1.011 212 I CA -0.168 61.213 61.300 0.134 0.000 1.107 212 I CB 1.859 39.950 38.000 0.153 0.000 1.285 212 I HN 0.816 nan 8.210 nan 0.000 0.436 213 G N 4.365 113.275 108.800 0.182 0.000 2.384 213 G HA2 -0.092 3.867 3.960 -0.000 0.000 0.150 213 G HA3 -0.092 3.867 3.960 -0.000 0.000 0.150 213 G C -1.614 173.265 174.900 -0.035 0.000 1.269 213 G CA -0.620 44.548 45.100 0.114 0.000 1.094 213 G HN 0.495 nan 8.290 nan 0.000 0.467 214 D N 1.984 122.368 120.400 -0.027 0.000 2.352 214 D HA 0.500 5.140 4.640 -0.000 0.000 0.245 214 D C -1.032 175.245 176.300 -0.039 0.000 1.224 214 D CA -1.893 52.072 54.000 -0.058 0.000 0.879 214 D CB 1.667 42.447 40.800 -0.033 0.000 1.057 214 D HN -0.063 nan 8.370 nan 0.000 0.491 215 P HA -0.200 nan 4.420 nan 0.000 0.216 215 P C 1.251 178.543 177.300 -0.014 0.000 1.153 215 P CA 2.149 65.239 63.100 -0.017 0.000 0.858 215 P CB 0.249 31.941 31.700 -0.013 0.000 0.789 216 K N -0.051 120.335 120.400 -0.024 0.000 2.001 216 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 216 K C 2.298 178.886 176.600 -0.020 0.000 1.048 216 K CA 1.876 58.149 56.287 -0.024 0.000 0.932 216 K CB -1.761 30.724 32.500 -0.024 0.000 0.715 216 K HN 0.160 nan 8.250 nan 0.000 0.437 217 A N 1.138 123.948 122.820 -0.017 0.000 1.865 217 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 217 A C 2.493 180.071 177.584 -0.010 0.000 1.191 217 A CA 1.853 53.883 52.037 -0.012 0.000 0.623 217 A CB -0.517 18.478 19.000 -0.008 0.000 0.826 217 A HN 0.530 nan 8.150 nan 0.000 0.444 218 I N -0.157 120.410 120.570 -0.006 0.000 2.118 218 I HA -0.253 3.917 4.170 -0.000 0.000 0.241 218 I C 2.772 178.885 176.117 -0.007 0.000 1.070 218 I CA 1.333 62.632 61.300 -0.002 0.000 1.327 218 I CB -1.016 36.989 38.000 0.007 0.000 1.034 218 I HN 0.386 nan 8.210 nan 0.000 0.405 219 G N 0.374 109.168 108.800 -0.009 0.000 2.513 219 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 219 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 219 G C 1.651 176.533 174.900 -0.030 0.000 1.160 219 G CA 1.817 46.904 45.100 -0.022 0.000 0.767 219 G HN 0.359 nan 8.290 nan 0.000 0.571 220 T N 0.318 114.856 114.554 -0.026 0.000 2.821 220 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 220 T C 2.190 176.877 174.700 -0.021 0.000 1.046 220 T CA 1.565 63.650 62.100 -0.026 0.000 1.139 220 T CB -0.075 68.780 68.868 -0.022 0.000 0.871 220 T HN 0.399 nan 8.240 nan 0.000 0.454 221 E N 1.169 121.359 120.200 -0.017 0.000 2.047 221 E HA -0.012 4.337 4.350 -0.000 0.000 0.191 221 E C 2.004 178.593 176.600 -0.017 0.000 0.987 221 E CA 0.933 57.324 56.400 -0.015 0.000 0.799 221 E CB -0.515 29.177 29.700 -0.013 0.000 0.752 221 E HN 0.484 nan 8.360 nan 0.000 0.449 222 I N 0.623 121.183 120.570 -0.017 0.000 2.118 222 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 222 I C 2.370 178.473 176.117 -0.022 0.000 1.070 222 I CA 2.006 63.295 61.300 -0.018 0.000 1.327 222 I CB -0.656 37.337 38.000 -0.012 0.000 1.034 222 I HN 0.309 nan 8.210 nan 0.000 0.405 223 T N -2.545 111.993 114.554 -0.027 0.000 2.995 223 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 223 T C 1.593 176.277 174.700 -0.027 0.000 1.091 223 T CA 1.130 63.211 62.100 -0.031 0.000 1.128 223 T CB -0.333 68.509 68.868 -0.043 0.000 0.891 223 T HN 0.456 nan 8.240 nan 0.000 0.492 224 S N -0.117 115.569 115.700 -0.023 0.000 2.512 224 S HA 0.219 4.689 4.470 -0.000 0.000 0.216 224 S C 0.657 175.248 174.600 -0.015 0.000 1.006 224 S CA -0.652 57.537 58.200 -0.018 0.000 0.915 224 S CB -0.388 62.802 63.200 -0.017 0.000 0.824 224 S HN 0.342 nan 8.310 nan 0.000 0.497 225 N N 3.977 122.667 118.700 -0.016 0.000 2.431 225 N HA 0.215 4.955 4.740 -0.000 0.000 0.265 225 N C -1.741 173.761 175.510 -0.015 0.000 1.184 225 N CA -1.549 51.492 53.050 -0.015 0.000 0.943 225 N CB 1.370 39.847 38.487 -0.017 0.000 1.080 225 N HN 0.105 nan 8.380 nan 0.000 0.477 226 P HA -0.111 nan 4.420 nan 0.000 0.221 226 P C 1.505 178.800 177.300 -0.008 0.000 1.145 226 P CA 0.943 64.039 63.100 -0.006 0.000 0.795 226 P CB 0.416 32.117 31.700 0.001 0.000 0.775 227 I N -0.772 119.792 120.570 -0.010 0.000 2.286 227 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 227 I C 0.917 177.009 176.117 -0.043 0.000 1.115 227 I CA 0.712 62.003 61.300 -0.015 0.000 1.392 227 I CB -0.580 37.413 38.000 -0.012 0.000 1.065 227 I HN -0.244 nan 8.210 nan 0.000 0.418 228 V N 2.269 122.157 119.914 -0.043 0.000 2.529 228 V HA -0.020 4.099 4.120 -0.000 0.000 0.292 228 V C 1.209 177.271 176.094 -0.053 0.000 1.028 228 V CA 0.609 62.876 62.300 -0.055 0.000 1.074 228 V CB 0.736 32.535 31.823 -0.041 0.000 0.958 228 V HN 0.316 nan 8.190 nan 0.000 0.481 229 R N 2.693 123.149 120.500 -0.073 0.000 2.316 229 R HA 0.210 4.550 4.340 -0.000 0.000 0.201 229 R C 0.406 176.674 176.300 -0.053 0.000 0.888 229 R CA 0.058 56.122 56.100 -0.061 0.000 1.041 229 R CB 0.601 30.852 30.300 -0.081 0.000 1.115 229 R HN 0.796 nan 8.270 nan 0.000 0.559 230 K N 0.236 120.603 120.400 -0.056 0.000 2.509 230 K HA 0.500 4.820 4.320 -0.000 0.000 0.266 230 K C -1.712 174.870 176.600 -0.029 0.000 0.987 230 K CA -0.973 55.282 56.287 -0.053 0.000 0.868 230 K CB 2.098 34.545 32.500 -0.088 0.000 1.421 230 K HN -0.087 nan 8.250 nan 0.000 0.444 231 L N 0.094 121.301 121.223 -0.027 0.000 2.472 231 L HA 0.609 4.948 4.340 -0.000 0.000 0.260 231 L C -1.709 175.174 176.870 0.022 0.000 0.963 231 L CA -0.051 54.795 54.840 0.010 0.000 0.829 231 L CB 2.450 44.514 42.059 0.009 0.000 1.348 231 L HN 0.778 nan 8.230 nan 0.000 0.408 232 S N 3.888 119.627 115.700 0.065 0.000 2.519 232 S HA 0.770 5.239 4.470 -0.000 0.000 0.309 232 S C -1.415 173.268 174.600 0.140 0.000 1.100 232 S CA -0.395 57.852 58.200 0.078 0.000 1.059 232 S CB 0.510 63.759 63.200 0.082 0.000 1.008 232 S HN 0.625 nan 8.310 nan 0.000 0.478 233 F N 3.601 123.543 119.950 -0.015 0.000 2.540 233 F HA 0.683 5.210 4.527 -0.000 0.000 0.317 233 F C -0.648 175.141 175.800 -0.019 0.000 1.104 233 F CA -0.199 57.791 58.000 -0.017 0.000 0.913 233 F CB 2.109 41.100 39.000 -0.016 0.000 1.170 233 F HN 0.434 nan 8.300 nan 0.000 0.450 234 T N 4.713 118.701 114.554 -0.944 0.000 2.847 234 T HA 0.774 5.124 4.350 -0.000 0.000 0.291 234 T C -0.141 173.801 174.700 -1.263 0.000 0.998 234 T CA -0.277 61.316 62.100 -0.844 0.000 0.967 234 T CB 1.050 69.675 68.868 -0.406 0.000 0.954 234 T HN 1.118 nan 8.240 nan 0.000 0.441 235 G N 1.858 110.044 108.800 -1.023 0.000 2.392 235 G HA2 0.472 4.432 3.960 -0.000 0.000 0.260 235 G HA3 0.472 4.432 3.960 -0.000 0.000 0.260 235 G C -0.579 174.323 174.900 0.003 0.000 1.226 235 G CA -0.258 44.542 45.100 -0.501 0.000 0.913 235 G HN 0.889 nan 8.290 nan 0.000 0.483 236 S N -0.424 115.402 115.700 0.210 0.000 2.576 236 S HA 0.404 4.874 4.470 -0.000 0.000 0.276 236 S C 1.356 176.105 174.600 0.249 0.000 1.339 236 S CA 1.120 59.439 58.200 0.198 0.000 1.039 236 S CB 1.221 64.525 63.200 0.173 0.000 0.902 236 S HN 0.836 nan 8.310 nan 0.000 0.516 237 T N 2.901 117.548 114.554 0.155 0.000 2.833 237 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 237 T C 2.146 176.923 174.700 0.129 0.000 1.054 237 T CA 1.389 63.584 62.100 0.159 0.000 1.135 237 T CB -0.756 68.228 68.868 0.193 0.000 0.869 237 T HN 0.851 nan 8.240 nan 0.000 0.466 238 A N 1.037 123.928 122.820 0.118 0.000 1.902 238 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 238 A C 2.571 180.159 177.584 0.007 0.000 1.181 238 A CA 1.382 53.461 52.037 0.070 0.000 0.623 238 A CB -0.922 18.125 19.000 0.078 0.000 0.818 238 A HN 0.375 nan 8.150 nan 0.000 0.443 239 V N -0.282 119.625 119.914 -0.012 0.000 2.379 239 V HA -0.101 4.019 4.120 -0.000 0.000 0.245 239 V C 2.822 178.684 176.094 -0.386 0.000 1.044 239 V CA 1.737 63.933 62.300 -0.174 0.000 1.036 239 V CB -1.405 30.331 31.823 -0.145 0.000 0.664 239 V HN 0.598 nan 8.190 nan 0.000 0.453 240 G N -0.129 108.467 108.800 -0.341 0.000 2.442 240 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.219 240 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.219 240 G C 1.760 176.581 174.900 -0.130 0.000 1.141 240 G CA 0.728 45.662 45.100 -0.276 0.000 0.763 240 G HN 0.416 nan 8.290 nan 0.000 0.554 241 R N -0.428 120.037 120.500 -0.058 0.000 2.096 241 R HA 0.084 4.424 4.340 -0.000 0.000 0.235 241 R C 2.583 178.847 176.300 -0.060 0.000 1.127 241 R CA 0.867 56.947 56.100 -0.032 0.000 0.968 241 R CB -0.338 29.963 30.300 0.002 0.000 0.861 241 R HN 0.343 nan 8.270 nan 0.000 0.440 242 L N 0.193 121.362 121.223 -0.089 0.000 2.109 242 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 242 L C 2.236 179.038 176.870 -0.114 0.000 1.086 242 L CA 0.901 55.687 54.840 -0.090 0.000 0.760 242 L CB -0.266 41.739 42.059 -0.090 0.000 0.910 242 L HN 0.186 nan 8.230 nan 0.000 0.437 243 L N -0.933 120.181 121.223 -0.182 0.000 2.083 243 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 243 L C 2.619 179.423 176.870 -0.111 0.000 1.083 243 L CA 1.219 55.949 54.840 -0.184 0.000 0.752 243 L CB -0.296 41.570 42.059 -0.321 0.000 0.899 243 L HN 0.356 nan 8.230 nan 0.000 0.433 244 M N -0.251 119.295 119.600 -0.090 0.000 2.059 244 M HA -0.231 4.248 4.480 -0.000 0.000 0.259 244 M C 2.453 178.726 176.300 -0.045 0.000 1.072 244 M CA 2.158 57.426 55.300 -0.052 0.000 1.117 244 M CB -0.166 32.413 32.600 -0.036 0.000 1.320 244 M HN 0.239 nan 8.290 nan 0.000 0.408 245 A N -0.026 122.767 122.820 -0.045 0.000 1.927 245 A HA -0.296 4.024 4.320 -0.000 0.000 0.220 245 A C 1.921 179.483 177.584 -0.036 0.000 1.185 245 A CA 2.290 54.305 52.037 -0.036 0.000 0.639 245 A CB -0.986 17.994 19.000 -0.034 0.000 0.820 245 A HN 0.772 nan 8.150 nan 0.000 0.451 246 Q N -0.764 119.008 119.800 -0.047 0.000 2.187 246 Q HA -0.036 4.304 4.340 -0.000 0.000 0.199 246 Q C 2.244 178.222 176.000 -0.037 0.000 0.957 246 Q CA 1.336 57.114 55.803 -0.042 0.000 0.857 246 Q CB -0.053 28.654 28.738 -0.052 0.000 0.929 246 Q HN 0.651 nan 8.270 nan 0.000 0.453 247 S N 0.905 116.581 115.700 -0.040 0.000 2.453 247 S HA -0.045 4.424 4.470 -0.000 0.000 0.231 247 S C 2.015 176.601 174.600 -0.025 0.000 1.005 247 S CA 0.572 58.753 58.200 -0.032 0.000 0.949 247 S CB -0.124 63.056 63.200 -0.034 0.000 0.774 247 S HN 0.456 nan 8.310 nan 0.000 0.510 248 A N 2.806 125.611 122.820 -0.024 0.000 1.896 248 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 248 A C -0.061 177.515 177.584 -0.014 0.000 1.206 248 A CA 1.862 53.888 52.037 -0.018 0.000 0.647 248 A CB -2.010 16.980 19.000 -0.018 0.000 0.828 248 A HN 0.412 nan 8.150 nan 0.000 0.455 249 P HA -0.055 nan 4.420 nan 0.000 0.225 249 P C 1.118 178.413 177.300 -0.008 0.000 1.148 249 P CA 1.804 64.898 63.100 -0.010 0.000 0.779 249 P CB -0.162 31.532 31.700 -0.011 0.000 0.780 250 T N -6.036 108.512 114.554 -0.011 0.000 3.044 250 T HA 0.179 4.529 4.350 -0.000 0.000 0.260 250 T C 0.577 175.272 174.700 -0.008 0.000 1.019 250 T CA -0.315 61.779 62.100 -0.008 0.000 0.921 250 T CB -0.629 68.232 68.868 -0.011 0.000 1.053 250 T HN -0.185 nan 8.240 nan 0.000 0.533 251 V N 1.886 121.793 119.914 -0.011 0.000 6.078 251 V HA -0.205 3.914 4.120 -0.000 0.000 0.301 251 V C 0.138 176.225 176.094 -0.013 0.000 0.571 251 V CA 0.666 62.960 62.300 -0.010 0.000 0.625 251 V CB -1.855 29.966 31.823 -0.004 0.000 0.271 251 V HN 0.646 nan 8.190 nan 0.000 0.788 252 K N 1.108 121.497 120.400 -0.018 0.000 2.185 252 K HA 0.418 4.738 4.320 -0.000 0.000 0.271 252 K C 0.261 176.844 176.600 -0.028 0.000 1.013 252 K CA -0.759 55.513 56.287 -0.024 0.000 0.943 252 K CB 1.175 33.658 32.500 -0.028 0.000 0.998 252 K HN 0.407 nan 8.250 nan 0.000 0.468 253 K N 2.391 122.769 120.400 -0.037 0.000 2.368 253 K HA 0.106 4.426 4.320 -0.000 0.000 0.282 253 K C -1.007 175.556 176.600 -0.062 0.000 1.035 253 K CA -0.158 56.099 56.287 -0.050 0.000 0.973 253 K CB 0.331 32.793 32.500 -0.063 0.000 0.957 253 K HN 0.249 nan 8.250 nan 0.000 0.474 254 L N 3.281 124.471 121.223 -0.054 0.000 2.362 254 L HA 0.441 4.780 4.340 -0.000 0.000 0.271 254 L C -0.752 176.090 176.870 -0.047 0.000 1.002 254 L CA -0.166 54.650 54.840 -0.040 0.000 0.818 254 L CB 2.316 44.365 42.059 -0.017 0.000 1.298 254 L HN 0.714 nan 8.230 nan 0.000 0.420 255 T N 4.500 119.033 114.554 -0.034 0.000 2.892 255 T HA 0.597 4.947 4.350 -0.000 0.000 0.311 255 T C -0.515 174.212 174.700 0.044 0.000 1.033 255 T CA -0.282 61.807 62.100 -0.019 0.000 0.991 255 T CB 0.331 69.161 68.868 -0.064 0.000 0.981 255 T HN 0.262 nan 8.240 nan 0.000 0.457 256 L N 3.324 124.583 121.223 0.061 0.000 2.295 256 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 256 L C 0.244 177.161 176.870 0.079 0.000 1.018 256 L CA -0.830 54.083 54.840 0.122 0.000 0.841 256 L CB 1.040 43.183 42.059 0.140 0.000 1.218 256 L HN 0.425 nan 8.230 nan 0.000 0.424 257 E N 5.709 125.938 120.200 0.047 0.000 1.986 257 E HA 0.377 4.727 4.350 -0.000 0.000 0.264 257 E C -0.227 176.367 176.600 -0.010 0.000 1.023 257 E CA -0.128 56.292 56.400 0.033 0.000 0.834 257 E CB 1.300 31.030 29.700 0.050 0.000 1.111 257 E HN 0.542 nan 8.360 nan 0.000 0.417 258 L N -0.008 121.228 121.223 0.022 0.000 2.902 258 L HA 0.569 4.909 4.340 -0.000 0.000 0.229 258 L C 1.174 178.013 176.870 -0.052 0.000 1.324 258 L CA -1.130 53.721 54.840 0.019 0.000 1.230 258 L CB 0.119 42.227 42.059 0.081 0.000 2.134 258 L HN 0.301 nan 8.230 nan 0.000 0.567 259 G N -1.456 107.258 108.800 -0.145 0.000 2.448 259 G HA2 0.533 4.493 3.960 -0.000 0.000 0.285 259 G HA3 0.533 4.493 3.960 -0.000 0.000 0.285 259 G C -0.423 174.155 174.900 -0.537 0.000 1.176 259 G CA 0.087 44.999 45.100 -0.315 0.000 0.852 259 G HN 0.709 nan 8.290 nan 0.000 0.530 260 G N -0.755 107.800 108.800 -0.410 0.000 3.119 260 G HA2 0.470 4.430 3.960 -0.000 0.000 0.206 260 G HA3 0.470 4.430 3.960 -0.000 0.000 0.206 260 G C -0.308 174.508 174.900 -0.140 0.000 1.313 260 G CA -0.485 44.479 45.100 -0.227 0.000 1.010 260 G HN 0.625 nan 8.290 nan 0.000 0.578 261 N N -0.754 118.024 118.700 0.130 0.000 2.609 261 N HA 0.233 4.973 4.740 -0.000 0.000 0.251 261 N C -0.032 175.608 175.510 0.216 0.000 1.526 261 N CA -0.122 53.050 53.050 0.203 0.000 0.931 261 N CB 0.570 39.282 38.487 0.375 0.000 1.460 261 N HN 0.704 nan 8.380 nan 0.000 0.526 262 A N 1.962 124.871 122.820 0.148 0.000 2.553 262 A HA 0.272 4.592 4.320 -0.000 0.000 0.258 262 A C -2.156 175.473 177.584 0.075 0.000 1.069 262 A CA -0.207 51.904 52.037 0.122 0.000 0.767 262 A CB -0.267 18.846 19.000 0.190 0.000 0.997 262 A HN 0.248 nan 8.150 nan 0.000 0.512 263 P HA 0.399 nan 4.420 nan 0.000 0.286 263 P C -0.987 176.368 177.300 0.091 0.000 1.261 263 P CA -0.212 62.924 63.100 0.060 0.000 0.821 263 P CB 0.845 32.498 31.700 -0.078 0.000 1.013 264 F N 3.375 123.275 119.950 -0.084 0.000 2.460 264 F HA 0.511 5.038 4.527 -0.000 0.000 0.341 264 F C -0.664 175.148 175.800 0.020 0.000 1.130 264 F CA -0.925 57.006 58.000 -0.114 0.000 0.962 264 F CB 0.750 39.372 39.000 -0.630 0.000 1.171 264 F HN 0.089 nan 8.300 nan 0.000 0.436 265 I N 7.135 127.660 120.570 -0.075 0.000 2.330 265 I HA 0.344 4.514 4.170 -0.000 0.000 0.289 265 I C -0.965 175.178 176.117 0.043 0.000 1.001 265 I CA -0.903 60.389 61.300 -0.013 0.000 1.193 265 I CB 1.571 39.451 38.000 -0.201 0.000 1.345 265 I HN 0.231 nan 8.210 nan 0.000 0.461 266 V N 6.990 126.974 119.914 0.117 0.000 2.313 266 V HA 0.351 4.470 4.120 -0.000 0.000 0.278 266 V C -0.173 176.005 176.094 0.139 0.000 1.017 266 V CA -0.513 61.818 62.300 0.051 0.000 0.823 266 V CB 0.511 32.127 31.823 -0.346 0.000 1.010 266 V HN 0.380 nan 8.190 nan 0.000 0.443 267 F N 2.197 122.267 119.950 0.201 0.000 2.371 267 F HA 0.305 4.831 4.527 -0.000 0.000 0.329 267 F C 1.659 177.501 175.800 0.070 0.000 1.107 267 F CA 0.123 58.236 58.000 0.187 0.000 1.137 267 F CB 0.817 39.878 39.000 0.102 0.000 1.214 267 F HN 0.552 nan 8.300 nan 0.000 0.536 268 D N 1.186 121.695 120.400 0.182 0.000 3.818 268 D HA -0.329 4.310 4.640 -0.000 0.000 0.506 268 D C 1.396 177.792 176.300 0.160 0.000 1.227 268 D CA 2.489 56.568 54.000 0.132 0.000 1.422 268 D CB -0.256 40.543 40.800 -0.002 0.000 0.651 268 D HN 0.717 nan 8.370 nan 0.000 0.626 269 D N -0.515 119.971 120.400 0.143 0.000 2.363 269 D HA 0.251 4.891 4.640 -0.000 0.000 0.214 269 D C 0.309 176.687 176.300 0.130 0.000 1.093 269 D CA 0.197 54.263 54.000 0.110 0.000 0.837 269 D CB -0.483 40.354 40.800 0.060 0.000 0.948 269 D HN 0.307 nan 8.370 nan 0.000 0.507 270 A N 0.917 123.844 122.820 0.179 0.000 2.520 270 A HA 0.036 4.356 4.320 -0.000 0.000 0.235 270 A C 0.371 178.063 177.584 0.181 0.000 1.065 270 A CA -0.067 52.096 52.037 0.209 0.000 0.764 270 A CB 0.166 19.315 19.000 0.247 0.000 1.002 270 A HN 0.182 nan 8.150 nan 0.000 0.502 271 D N 2.262 122.786 120.400 0.206 0.000 2.338 271 D HA 0.101 4.741 4.640 -0.000 0.000 0.255 271 D C 0.983 177.386 176.300 0.172 0.000 1.237 271 D CA -0.417 53.688 54.000 0.175 0.000 0.883 271 D CB 0.468 41.375 40.800 0.178 0.000 1.087 271 D HN 0.285 nan 8.370 nan 0.000 0.485 272 L N 3.763 125.080 121.223 0.156 0.000 2.046 272 L HA -0.139 4.200 4.340 -0.000 0.000 0.208 272 L C 1.818 178.789 176.870 0.168 0.000 1.077 272 L CA 1.298 56.254 54.840 0.192 0.000 0.747 272 L CB -0.945 41.232 42.059 0.196 0.000 0.896 272 L HN 0.466 nan 8.230 nan 0.000 0.432 273 D N 0.118 120.587 120.400 0.116 0.000 2.097 273 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 273 D C 2.218 178.572 176.300 0.090 0.000 0.989 273 D CA 1.545 55.595 54.000 0.082 0.000 0.827 273 D CB 0.164 41.006 40.800 0.069 0.000 0.966 273 D HN 0.251 nan 8.370 nan 0.000 0.456 274 A N 1.149 124.045 122.820 0.125 0.000 1.940 274 A HA -0.088 4.231 4.320 -0.000 0.000 0.219 274 A C 2.304 179.934 177.584 0.077 0.000 1.176 274 A CA 2.201 54.347 52.037 0.182 0.000 0.631 274 A CB -0.567 18.603 19.000 0.283 0.000 0.814 274 A HN 0.248 nan 8.150 nan 0.000 0.446 275 A N -0.725 122.012 122.820 -0.138 0.000 1.930 275 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 275 A C 2.224 179.817 177.584 0.014 0.000 1.175 275 A CA 1.612 53.318 52.037 -0.553 0.000 0.627 275 A CB -0.785 18.068 19.000 -0.246 0.000 0.815 275 A HN 0.341 nan 8.150 nan 0.000 0.443 276 V N 0.113 120.091 119.914 0.106 0.000 2.261 276 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 276 V C 3.138 179.238 176.094 0.010 0.000 1.047 276 V CA 2.657 64.959 62.300 0.003 0.000 1.015 276 V CB -1.267 30.509 31.823 -0.078 0.000 0.642 276 V HN 0.770 nan 8.190 nan 0.000 0.446 277 E N 0.174 120.404 120.200 0.050 0.000 2.160 277 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 277 E C 2.226 178.899 176.600 0.122 0.000 0.991 277 E CA 1.637 58.084 56.400 0.079 0.000 0.810 277 E CB -1.201 28.557 29.700 0.097 0.000 0.742 277 E HN 0.697 nan 8.360 nan 0.000 0.466 278 G N -0.120 108.791 108.800 0.184 0.000 2.408 278 G HA2 0.161 4.121 3.960 -0.000 0.000 0.215 278 G HA3 0.161 4.121 3.960 -0.000 0.000 0.215 278 G C 2.007 177.021 174.900 0.190 0.000 1.156 278 G CA 1.384 46.671 45.100 0.312 0.000 0.793 278 G HN 0.841 nan 8.290 nan 0.000 0.535 279 A N 1.037 123.865 122.820 0.013 0.000 1.883 279 A HA 0.128 4.447 4.320 -0.000 0.000 0.217 279 A C 2.769 180.293 177.584 -0.100 0.000 1.186 279 A CA 2.706 54.587 52.037 -0.260 0.000 0.624 279 A CB -0.952 17.933 19.000 -0.192 0.000 0.822 279 A HN 0.938 nan 8.150 nan 0.000 0.444 280 I N -0.762 119.806 120.570 -0.003 0.000 2.099 280 I HA 0.026 4.195 4.170 -0.000 0.000 0.239 280 I C 2.919 179.090 176.117 0.090 0.000 1.066 280 I CA 2.754 64.129 61.300 0.126 0.000 1.324 280 I CB -1.931 36.144 38.000 0.126 0.000 1.037 280 I HN 0.617 nan 8.210 nan 0.000 0.401 281 A N 0.726 123.586 122.820 0.066 0.000 1.908 281 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 281 A C 2.765 180.353 177.584 0.007 0.000 1.181 281 A CA 2.993 55.067 52.037 0.062 0.000 0.627 281 A CB -1.163 17.886 19.000 0.081 0.000 0.818 281 A HN 1.382 nan 8.150 nan 0.000 0.445 282 S N -0.682 114.972 115.700 -0.076 0.000 2.383 282 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 282 S C 1.885 176.366 174.600 -0.199 0.000 1.026 282 S CA 1.711 59.778 58.200 -0.221 0.000 0.981 282 S CB -0.174 62.727 63.200 -0.498 0.000 0.818 282 S HN 0.418 nan 8.310 nan 0.000 0.472 283 K N 0.070 120.321 120.400 -0.247 0.000 2.202 283 K HA 0.235 4.554 4.320 -0.000 0.000 0.201 283 K C 0.631 176.966 176.600 -0.442 0.000 1.051 283 K CA 0.774 56.816 56.287 -0.409 0.000 0.977 283 K CB -0.259 31.892 32.500 -0.582 0.000 0.792 283 K HN 0.534 nan 8.250 nan 0.000 0.469 284 Y N -0.177 120.142 120.300 0.030 0.000 2.531 284 Y HA 0.381 4.931 4.550 -0.000 0.000 0.249 284 Y C 0.625 176.546 175.900 0.035 0.000 1.168 284 Y CA -0.164 57.953 58.100 0.028 0.000 1.226 284 Y CB -0.400 38.065 38.460 0.009 0.000 1.177 284 Y HN -0.100 nan 8.280 nan 0.000 0.527 285 R N 1.056 121.640 120.500 0.141 0.000 2.590 285 R HA 0.136 4.476 4.340 -0.000 0.000 0.274 285 R C 0.944 177.311 176.300 0.113 0.000 1.061 285 R CA 0.390 56.563 56.100 0.121 0.000 1.081 285 R CB -0.889 29.488 30.300 0.128 0.000 0.984 285 R HN 0.503 nan 8.270 nan 0.000 0.448 286 N N 0.383 119.119 118.700 0.061 0.000 2.678 286 N HA -0.280 4.460 4.740 -0.000 0.000 0.249 286 N C -0.264 175.289 175.510 0.072 0.000 1.119 286 N CA 1.686 54.744 53.050 0.013 0.000 0.718 286 N CB -1.081 37.364 38.487 -0.069 0.000 1.060 286 N HN 1.059 nan 8.380 nan 0.000 0.552 287 N N -1.180 117.581 118.700 0.101 0.000 2.727 287 N HA -0.147 4.593 4.740 -0.000 0.000 0.251 287 N C 0.765 176.368 175.510 0.154 0.000 1.040 287 N CA 2.242 55.370 53.050 0.130 0.000 0.712 287 N CB -1.509 37.017 38.487 0.065 0.000 0.912 287 N HN 1.167 nan 8.380 nan 0.000 0.545 288 G N -0.574 108.316 108.800 0.150 0.000 2.187 288 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 288 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 288 G C 0.444 175.460 174.900 0.192 0.000 1.000 288 G CA 0.764 45.931 45.100 0.112 0.000 0.718 288 G HN 0.636 nan 8.290 nan 0.000 0.519 289 Q N 0.104 120.058 119.800 0.257 0.000 2.204 289 Q HA 0.194 4.534 4.340 -0.000 0.000 0.209 289 Q C 1.088 177.311 176.000 0.371 0.000 0.861 289 Q CA 0.614 56.667 55.803 0.416 0.000 0.971 289 Q CB 0.618 29.593 28.738 0.396 0.000 1.095 289 Q HN 0.681 nan 8.270 nan 0.000 0.486 290 T N -3.517 111.228 114.554 0.319 0.000 2.907 290 T HA 0.128 4.478 4.350 -0.000 0.000 0.284 290 T C 1.548 176.410 174.700 0.270 0.000 1.004 290 T CA -0.834 61.468 62.100 0.336 0.000 1.063 290 T CB 1.385 70.478 68.868 0.374 0.000 0.992 290 T HN 0.307 nan 8.240 nan 0.000 0.483 291 C N 2.221 121.668 119.300 0.244 0.000 2.385 291 C HA -0.100 4.360 4.460 -0.000 0.000 0.275 291 C C 2.561 177.618 174.990 0.112 0.000 1.199 291 C CA 0.755 59.880 59.018 0.179 0.000 1.782 291 C CB -2.101 25.747 27.740 0.180 0.000 2.068 291 C HN 0.903 nan 8.230 nan 0.000 0.471 292 V N -2.375 117.644 119.914 0.175 0.000 3.514 292 V HA 0.286 4.406 4.120 -0.000 0.000 0.301 292 V C 0.770 176.997 176.094 0.221 0.000 1.346 292 V CA -0.592 61.820 62.300 0.186 0.000 1.156 292 V CB -1.860 30.115 31.823 0.252 0.000 1.029 292 V HN 0.606 nan 8.190 nan 0.000 0.428 293 C N 2.559 121.929 119.300 0.116 0.000 2.648 293 C HA 0.267 4.727 4.460 -0.000 0.000 0.419 293 C C 1.476 176.470 174.990 0.008 0.000 1.352 293 C CA 0.430 59.475 59.018 0.045 0.000 1.816 293 C CB -0.526 27.217 27.740 0.006 0.000 2.598 293 C HN 0.668 nan 8.230 nan 0.000 0.598 294 T N 4.630 119.149 114.554 -0.059 0.000 2.822 294 T HA -0.081 4.269 4.350 -0.000 0.000 0.288 294 T C 1.018 175.657 174.700 -0.101 0.000 0.991 294 T CA 0.789 62.811 62.100 -0.129 0.000 1.176 294 T CB -0.006 68.548 68.868 -0.522 0.000 0.951 294 T HN 0.787 nan 8.240 nan 0.000 0.526 295 N N 2.614 121.290 118.700 -0.040 0.000 2.250 295 N HA 0.091 4.830 4.740 -0.000 0.000 0.190 295 N C -0.193 175.345 175.510 0.047 0.000 1.116 295 N CA 0.064 53.118 53.050 0.007 0.000 0.881 295 N CB 0.532 39.026 38.487 0.011 0.000 1.006 295 N HN 0.488 nan 8.380 nan 0.000 0.491 296 R N -0.035 120.449 120.500 -0.027 0.000 2.569 296 R HA 0.210 4.550 4.340 -0.000 0.000 0.293 296 R C -1.500 174.720 176.300 -0.134 0.000 1.186 296 R CA -0.526 55.487 56.100 -0.145 0.000 0.956 296 R CB 0.549 30.562 30.300 -0.479 0.000 1.196 296 R HN -0.024 nan 8.270 nan 0.000 0.444 297 F N 3.042 122.997 119.950 0.009 0.000 2.471 297 F HA 0.269 4.796 4.527 -0.000 0.000 0.365 297 F C 0.088 175.910 175.800 0.036 0.000 1.095 297 F CA 0.135 58.201 58.000 0.109 0.000 1.174 297 F CB 0.454 39.515 39.000 0.102 0.000 1.105 297 F HN 0.338 nan 8.300 nan 0.000 0.535 298 F N 3.922 124.056 119.950 0.306 0.000 2.332 298 F HA 0.481 5.007 4.527 -0.000 0.000 0.368 298 F C -0.282 175.760 175.800 0.404 0.000 1.110 298 F CA -0.824 57.373 58.000 0.328 0.000 1.087 298 F CB 0.815 39.861 39.000 0.078 0.000 1.235 298 F HN 0.010 nan 8.300 nan 0.000 0.470 299 V N 2.466 122.671 119.914 0.485 0.000 2.769 299 V HA 0.289 4.409 4.120 -0.000 0.000 0.312 299 V C 0.004 176.052 176.094 -0.076 0.000 1.058 299 V CA -1.017 61.386 62.300 0.172 0.000 0.952 299 V CB 1.706 33.458 31.823 -0.117 0.000 1.019 299 V HN 0.625 nan 8.190 nan 0.000 0.445 300 H N 1.884 120.679 119.070 -0.459 0.000 2.610 300 H HA 0.212 4.768 4.556 -0.000 0.000 0.336 300 H C 0.890 176.053 175.328 -0.275 0.000 1.087 300 H CA -0.057 55.493 56.048 -0.830 0.000 1.405 300 H CB 1.290 30.689 29.762 -0.606 0.000 1.460 300 H HN 0.837 nan 8.280 nan 0.000 0.538 301 E N 3.264 122.945 120.200 -0.866 0.000 2.114 301 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 301 E C 2.313 178.702 176.600 -0.352 0.000 1.008 301 E CA 1.743 57.843 56.400 -0.500 0.000 0.810 301 E CB 0.095 29.514 29.700 -0.468 0.000 0.739 301 E HN 0.775 nan 8.360 nan 0.000 0.456 302 R N 0.784 120.980 120.500 -0.507 0.000 2.285 302 R HA -0.014 4.326 4.340 -0.000 0.000 0.213 302 R C 1.987 178.310 176.300 0.038 0.000 1.068 302 R CA 1.445 57.484 56.100 -0.100 0.000 1.004 302 R CB -0.791 29.559 30.300 0.085 0.000 0.873 302 R HN 0.261 nan 8.270 nan 0.000 0.467 303 V N -5.396 114.552 119.914 0.056 0.000 3.372 303 V HA 0.270 4.390 4.120 -0.000 0.000 0.304 303 V C 1.665 177.849 176.094 0.150 0.000 1.530 303 V CA -0.353 62.016 62.300 0.115 0.000 1.080 303 V CB -0.889 31.014 31.823 0.134 0.000 0.929 303 V HN 0.327 nan 8.190 nan 0.000 0.455 304 Y N 2.434 122.734 120.300 -0.000 0.000 2.040 304 Y HA -0.284 4.266 4.550 -0.000 0.000 0.275 304 Y C 2.244 178.211 175.900 0.111 0.000 1.171 304 Y CA 2.772 60.901 58.100 0.048 0.000 1.123 304 Y CB -0.013 38.431 38.460 -0.027 0.000 0.963 304 Y HN 0.343 nan 8.280 nan 0.000 0.493 305 D N -0.046 120.541 120.400 0.312 0.000 2.106 305 D HA -0.230 4.410 4.640 -0.000 0.000 0.194 305 D C 2.305 178.667 176.300 0.104 0.000 0.988 305 D CA 1.746 55.867 54.000 0.202 0.000 0.845 305 D CB -1.062 39.819 40.800 0.135 0.000 0.990 305 D HN 0.450 nan 8.370 nan 0.000 0.448 306 A N 0.098 122.979 122.820 0.101 0.000 2.032 306 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 306 A C 2.076 179.705 177.584 0.075 0.000 1.165 306 A CA 1.258 53.339 52.037 0.073 0.000 0.645 306 A CB -0.929 18.120 19.000 0.082 0.000 0.807 306 A HN 0.284 nan 8.150 nan 0.000 0.453 307 F N 0.661 120.587 119.950 -0.040 0.000 2.098 307 F HA 0.088 4.615 4.527 -0.000 0.000 0.294 307 F C 2.517 178.233 175.800 -0.139 0.000 1.107 307 F CA 1.049 59.001 58.000 -0.080 0.000 1.234 307 F CB -0.673 38.277 39.000 -0.083 0.000 1.002 307 F HN 0.239 nan 8.300 nan 0.000 0.472 308 A N 0.459 123.151 122.820 -0.213 0.000 1.873 308 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 308 A C 1.993 179.414 177.584 -0.273 0.000 1.193 308 A CA 2.267 54.113 52.037 -0.318 0.000 0.629 308 A CB -1.239 17.659 19.000 -0.169 0.000 0.826 308 A HN 0.506 nan 8.150 nan 0.000 0.447 309 D N -0.463 119.846 120.400 -0.151 0.000 2.144 309 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 309 D C 1.927 178.139 176.300 -0.147 0.000 0.984 309 D CA 1.378 55.310 54.000 -0.113 0.000 0.834 309 D CB -0.244 40.526 40.800 -0.050 0.000 0.955 309 D HN 0.535 nan 8.370 nan 0.000 0.465 310 K N -0.056 120.231 120.400 -0.188 0.000 2.062 310 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 310 K C 2.056 178.492 176.600 -0.273 0.000 1.051 310 K CA 0.107 56.280 56.287 -0.191 0.000 0.941 310 K CB -0.135 32.273 32.500 -0.153 0.000 0.719 310 K HN 0.010 nan 8.250 nan 0.000 0.440 311 L N 1.536 122.482 121.223 -0.462 0.000 1.970 311 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 311 L C 2.259 178.954 176.870 -0.291 0.000 1.071 311 L CA 2.130 56.673 54.840 -0.495 0.000 0.751 311 L CB -0.885 40.709 42.059 -0.774 0.000 0.889 311 L HN 0.150 nan 8.230 nan 0.000 0.432 312 A N -0.600 122.069 122.820 -0.252 0.000 1.958 312 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 312 A C 2.433 179.939 177.584 -0.130 0.000 1.178 312 A CA 2.391 54.329 52.037 -0.164 0.000 0.642 312 A CB -1.319 17.602 19.000 -0.132 0.000 0.816 312 A HN 0.670 nan 8.150 nan 0.000 0.453 313 A N -0.341 122.403 122.820 -0.127 0.000 1.877 313 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 313 A C 2.519 180.049 177.584 -0.089 0.000 1.186 313 A CA 2.172 54.152 52.037 -0.094 0.000 0.620 313 A CB -1.053 17.898 19.000 -0.082 0.000 0.822 313 A HN 1.164 nan 8.150 nan 0.000 0.443 314 A N -0.680 122.078 122.820 -0.103 0.000 1.969 314 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 314 A C 2.174 179.701 177.584 -0.095 0.000 1.169 314 A CA 1.598 53.584 52.037 -0.084 0.000 0.635 314 A CB -0.741 18.211 19.000 -0.080 0.000 0.810 314 A HN 0.369 nan 8.150 nan 0.000 0.445 315 V N 0.897 120.737 119.914 -0.124 0.000 2.358 315 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 315 V C 2.827 178.829 176.094 -0.154 0.000 1.047 315 V CA 2.270 64.464 62.300 -0.177 0.000 1.035 315 V CB -0.855 30.860 31.823 -0.180 0.000 0.658 315 V HN 0.778 nan 8.190 nan 0.000 0.452 316 S N 0.247 115.883 115.700 -0.107 0.000 2.561 316 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 316 S C 1.919 176.482 174.600 -0.061 0.000 0.977 316 S CA 1.048 59.203 58.200 -0.075 0.000 0.926 316 S CB -0.318 62.847 63.200 -0.059 0.000 0.769 316 S HN 0.630 nan 8.310 nan 0.000 0.533 317 K N 1.530 121.891 120.400 -0.065 0.000 2.243 317 K HA 0.414 4.734 4.320 -0.000 0.000 0.201 317 K C 0.954 177.526 176.600 -0.047 0.000 1.051 317 K CA 0.709 56.967 56.287 -0.048 0.000 0.970 317 K CB -0.930 31.545 32.500 -0.041 0.000 0.755 317 K HN 0.605 nan 8.250 nan 0.000 0.465 318 L N 0.593 121.775 121.223 -0.069 0.000 2.464 318 L HA 0.449 4.789 4.340 -0.000 0.000 0.264 318 L C 0.673 177.509 176.870 -0.056 0.000 1.199 318 L CA -0.331 54.468 54.840 -0.068 0.000 0.818 318 L CB 0.858 42.849 42.059 -0.114 0.000 1.102 318 L HN 0.355 nan 8.230 nan 0.000 0.473 319 K N 1.959 122.335 120.400 -0.040 0.000 2.559 319 K HA 0.565 4.885 4.320 -0.000 0.000 0.249 319 K C -0.729 175.855 176.600 -0.027 0.000 0.958 319 K CA -0.591 55.680 56.287 -0.027 0.000 0.901 319 K CB 0.974 33.467 32.500 -0.012 0.000 1.124 319 K HN 0.367 nan 8.250 nan 0.000 0.437 320 V N 1.068 120.947 119.914 -0.059 0.000 2.872 320 V HA 0.728 4.848 4.120 -0.000 0.000 0.307 320 V C 1.152 177.223 176.094 -0.038 0.000 1.072 320 V CA 0.692 62.946 62.300 -0.078 0.000 1.148 320 V CB 0.850 32.466 31.823 -0.345 0.000 0.954 320 V HN 1.389 nan 8.190 nan 0.000 0.490 321 G N 1.527 110.404 108.800 0.129 0.000 2.347 321 G HA2 0.579 4.539 3.960 -0.000 0.000 0.303 321 G HA3 0.579 4.539 3.960 -0.000 0.000 0.303 321 G C -0.647 174.449 174.900 0.327 0.000 1.481 321 G CA -0.474 44.668 45.100 0.071 0.000 0.914 321 G HN 0.972 nan 8.290 nan 0.000 0.638 322 R N -0.507 120.146 120.500 0.255 0.000 2.758 322 R HA 0.558 4.897 4.340 -0.000 0.000 0.263 322 R C 1.915 178.314 176.300 0.165 0.000 1.010 322 R CA 1.482 57.779 56.100 0.329 0.000 1.114 322 R CB -0.462 29.945 30.300 0.179 0.000 0.985 322 R HN 2.409 nan 8.270 nan 0.000 0.439 323 G N 0.169 109.039 108.800 0.118 0.000 2.491 323 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.218 323 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.218 323 G C 1.539 176.467 174.900 0.046 0.000 1.180 323 G CA 1.722 46.857 45.100 0.059 0.000 0.774 323 G HN 1.040 nan 8.290 nan 0.000 0.562 324 T N -0.735 113.844 114.554 0.043 0.000 3.227 324 T HA 0.189 4.539 4.350 -0.000 0.000 0.257 324 T C 0.751 175.466 174.700 0.025 0.000 1.162 324 T CA 0.514 62.631 62.100 0.028 0.000 1.051 324 T CB 0.139 69.019 68.868 0.020 0.000 0.953 324 T HN 0.505 nan 8.240 nan 0.000 0.535 325 E N 0.934 121.153 120.200 0.032 0.000 2.280 325 E HA 0.398 4.748 4.350 -0.000 0.000 0.264 325 E C -0.810 175.802 176.600 0.020 0.000 1.064 325 E CA -0.574 55.839 56.400 0.022 0.000 0.900 325 E CB 0.983 30.696 29.700 0.021 0.000 1.123 325 E HN 0.099 nan 8.360 nan 0.000 0.418 326 S N 0.140 115.848 115.700 0.013 0.000 2.442 326 S HA 0.510 4.979 4.470 -0.000 0.000 0.297 326 S C 0.377 174.983 174.600 0.010 0.000 1.131 326 S CA 0.229 58.435 58.200 0.011 0.000 1.092 326 S CB 1.337 64.542 63.200 0.008 0.000 0.998 326 S HN 0.818 nan 8.310 nan 0.000 0.478 327 G N 2.260 111.066 108.800 0.011 0.000 2.213 327 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.236 327 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.236 327 G C 0.281 175.187 174.900 0.010 0.000 0.991 327 G CA -0.218 44.887 45.100 0.008 0.000 0.629 327 G HN 1.198 nan 8.290 nan 0.000 0.517 328 A N 1.415 124.246 122.820 0.018 0.000 2.489 328 A HA 0.577 4.896 4.320 -0.000 0.000 0.289 328 A C 1.411 179.011 177.584 0.027 0.000 1.216 328 A CA 1.592 53.646 52.037 0.028 0.000 0.883 328 A CB -0.180 18.851 19.000 0.050 0.000 1.110 328 A HN 1.353 nan 8.150 nan 0.000 0.523 329 T N 0.754 115.318 114.554 0.016 0.000 3.105 329 T HA 0.443 4.793 4.350 -0.000 0.000 0.253 329 T C 0.136 174.845 174.700 0.015 0.000 1.047 329 T CA -0.188 61.921 62.100 0.014 0.000 0.944 329 T CB -0.088 68.782 68.868 0.004 0.000 1.016 329 T HN 0.478 nan 8.240 nan 0.000 0.544 330 L N 0.770 122.004 121.223 0.020 0.000 2.549 330 L HA 0.701 5.041 4.340 -0.000 0.000 0.259 330 L C -0.359 176.536 176.870 0.042 0.000 0.934 330 L CA -0.308 54.542 54.840 0.018 0.000 0.865 330 L CB 1.677 43.722 42.059 -0.023 0.000 1.352 330 L HN 0.325 nan 8.230 nan 0.000 0.410 331 G N 3.571 112.367 108.800 -0.007 0.000 2.971 331 G HA2 0.811 4.770 3.960 -0.000 0.000 0.235 331 G HA3 0.811 4.770 3.960 -0.000 0.000 0.235 331 G C -2.979 171.683 174.900 -0.397 0.000 1.351 331 G CA -0.897 44.139 45.100 -0.106 0.000 1.039 331 G HN 0.407 nan 8.290 nan 0.000 0.563 332 P HA 0.451 nan 4.420 nan 0.000 0.285 332 P C -0.635 176.449 177.300 -0.360 0.000 1.269 332 P CA -0.713 61.821 63.100 -0.943 0.000 0.844 332 P CB 1.782 32.726 31.700 -1.260 0.000 1.094 333 L N 2.214 123.316 121.223 -0.200 0.000 2.473 333 L HA 0.044 4.384 4.340 -0.000 0.000 0.268 333 L C 2.088 178.869 176.870 -0.149 0.000 1.215 333 L CA 0.276 55.059 54.840 -0.095 0.000 0.823 333 L CB -0.153 41.906 42.059 -0.001 0.000 1.099 333 L HN 0.352 nan 8.230 nan 0.000 0.483 334 I N 0.999 121.445 120.570 -0.206 0.000 2.193 334 I HA -0.131 4.038 4.170 -0.000 0.000 0.240 334 I C 0.795 176.737 176.117 -0.291 0.000 1.084 334 I CA 1.186 62.285 61.300 -0.335 0.000 1.365 334 I CB -0.457 37.108 38.000 -0.725 0.000 1.064 334 I HN 0.930 nan 8.210 nan 0.000 0.410 335 N N -0.983 117.554 118.700 -0.272 0.000 3.167 335 N HA 0.059 4.798 4.740 -0.000 0.000 0.323 335 N C 0.509 175.969 175.510 -0.083 0.000 1.478 335 N CA -0.403 52.542 53.050 -0.175 0.000 0.753 335 N CB 0.740 39.096 38.487 -0.218 0.000 1.721 335 N HN -0.169 nan 8.380 nan 0.000 0.618 336 E N -0.523 119.647 120.200 -0.051 0.000 2.276 336 E HA 0.172 4.522 4.350 -0.000 0.000 0.193 336 E C 1.510 178.114 176.600 0.005 0.000 0.983 336 E CA 0.595 56.994 56.400 -0.003 0.000 0.861 336 E CB -0.045 29.654 29.700 -0.002 0.000 0.817 336 E HN 0.647 nan 8.360 nan 0.000 0.485 337 A N 1.130 123.938 122.820 -0.020 0.000 1.930 337 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 337 A C 2.315 179.901 177.584 0.004 0.000 1.175 337 A CA 1.656 53.691 52.037 -0.004 0.000 0.627 337 A CB -0.370 18.622 19.000 -0.013 0.000 0.815 337 A HN 0.241 nan 8.150 nan 0.000 0.443 338 A N -0.629 122.177 122.820 -0.023 0.000 2.066 338 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 338 A C 2.095 179.680 177.584 0.003 0.000 1.157 338 A CA 1.464 53.496 52.037 -0.008 0.000 0.670 338 A CB -0.551 18.419 19.000 -0.050 0.000 0.804 338 A HN 0.339 nan 8.150 nan 0.000 0.453 339 V N 0.159 120.097 119.914 0.040 0.000 2.379 339 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 339 V C 3.130 179.303 176.094 0.132 0.000 1.044 339 V CA 2.316 64.696 62.300 0.133 0.000 1.036 339 V CB -1.187 30.760 31.823 0.207 0.000 0.664 339 V HN 0.674 nan 8.190 nan 0.000 0.453 340 K N 0.666 121.121 120.400 0.092 0.000 2.044 340 K HA -0.317 4.003 4.320 -0.000 0.000 0.210 340 K C 2.081 178.720 176.600 0.066 0.000 1.049 340 K CA 2.377 58.716 56.287 0.087 0.000 0.927 340 K CB -0.780 31.759 32.500 0.064 0.000 0.713 340 K HN 0.472 nan 8.250 nan 0.000 0.443 341 K N 0.185 120.597 120.400 0.020 0.000 2.000 341 K HA -0.120 4.199 4.320 -0.000 0.000 0.218 341 K C 2.120 178.650 176.600 -0.117 0.000 1.053 341 K CA 1.968 58.221 56.287 -0.056 0.000 0.946 341 K CB -0.743 31.709 32.500 -0.080 0.000 0.723 341 K HN 0.179 nan 8.250 nan 0.000 0.446 342 V N 1.169 120.985 119.914 -0.163 0.000 2.324 342 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 342 V C 2.205 178.253 176.094 -0.076 0.000 1.060 342 V CA 2.207 64.350 62.300 -0.263 0.000 1.042 342 V CB -0.556 30.855 31.823 -0.688 0.000 0.650 342 V HN 0.412 nan 8.190 nan 0.000 0.450 343 E N -0.063 120.183 120.200 0.078 0.000 2.023 343 E HA -0.234 4.116 4.350 -0.000 0.000 0.196 343 E C 2.393 179.091 176.600 0.162 0.000 1.003 343 E CA 1.703 58.229 56.400 0.209 0.000 0.809 343 E CB -0.301 29.531 29.700 0.221 0.000 0.755 343 E HN 0.490 nan 8.360 nan 0.000 0.449 344 S N -0.969 114.821 115.700 0.150 0.000 2.515 344 S HA -0.104 4.366 4.470 -0.000 0.000 0.231 344 S C 1.539 176.281 174.600 0.236 0.000 0.987 344 S CA 0.600 58.900 58.200 0.167 0.000 0.936 344 S CB -0.154 63.141 63.200 0.157 0.000 0.766 344 S HN 0.327 nan 8.310 nan 0.000 0.528 345 H N 0.008 119.112 119.070 0.055 0.000 2.355 345 H HA 0.140 4.695 4.556 -0.000 0.000 0.303 345 H C 1.924 177.280 175.328 0.047 0.000 1.061 345 H CA 1.418 57.496 56.048 0.050 0.000 1.368 345 H CB 0.076 29.864 29.762 0.043 0.000 1.412 345 H HN 0.402 nan 8.280 nan 0.000 0.523 346 I N 0.793 121.468 120.570 0.175 0.000 2.493 346 I HA -0.179 3.991 4.170 -0.000 0.000 0.254 346 I C 2.752 178.925 176.117 0.092 0.000 1.160 346 I CA 0.710 62.082 61.300 0.120 0.000 1.445 346 I CB -0.211 37.873 38.000 0.141 0.000 1.086 346 I HN 0.203 nan 8.210 nan 0.000 0.433 347 A N 0.832 123.713 122.820 0.101 0.000 1.872 347 A HA -0.269 4.051 4.320 -0.000 0.000 0.214 347 A C 2.024 179.637 177.584 0.050 0.000 1.187 347 A CA 2.086 54.168 52.037 0.074 0.000 0.614 347 A CB -0.792 18.257 19.000 0.082 0.000 0.826 347 A HN 0.421 nan 8.150 nan 0.000 0.442 348 D N -0.530 119.899 120.400 0.048 0.000 2.221 348 D HA -0.053 4.587 4.640 -0.000 0.000 0.204 348 D C 1.867 178.164 176.300 -0.005 0.000 0.982 348 D CA 1.463 55.472 54.000 0.014 0.000 0.857 348 D CB -0.050 40.741 40.800 -0.016 0.000 0.934 348 D HN 0.393 nan 8.370 nan 0.000 0.475 349 A N -0.099 122.721 122.820 0.001 0.000 1.850 349 A HA 0.019 4.338 4.320 -0.000 0.000 0.212 349 A C 2.061 179.636 177.584 -0.015 0.000 1.208 349 A CA 0.323 52.348 52.037 -0.020 0.000 0.609 349 A CB -0.701 18.290 19.000 -0.014 0.000 0.860 349 A HN 0.272 nan 8.150 nan 0.000 0.448 350 L N -0.029 121.197 121.223 0.005 0.000 2.127 350 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 350 L C 2.917 179.789 176.870 0.003 0.000 1.089 350 L CA 1.962 56.805 54.840 0.005 0.000 0.757 350 L CB -1.407 40.664 42.059 0.020 0.000 0.899 350 L HN 0.482 nan 8.230 nan 0.000 0.434 351 A N -0.137 122.687 122.820 0.007 0.000 1.908 351 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 351 A C 2.054 179.636 177.584 -0.003 0.000 1.181 351 A CA 1.637 53.677 52.037 0.005 0.000 0.627 351 A CB -0.299 18.707 19.000 0.010 0.000 0.818 351 A HN 0.384 nan 8.150 nan 0.000 0.445 352 K N -1.545 118.848 120.400 -0.012 0.000 2.500 352 K HA 0.345 4.665 4.320 -0.000 0.000 0.206 352 K C 0.716 177.299 176.600 -0.027 0.000 1.034 352 K CA 0.439 56.715 56.287 -0.018 0.000 1.179 352 K CB 0.165 32.652 32.500 -0.021 0.000 0.884 352 K HN 0.651 nan 8.250 nan 0.000 0.493 353 G N 0.369 109.154 108.800 -0.025 0.000 2.179 353 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 353 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 353 G C 0.130 175.007 174.900 -0.037 0.000 0.990 353 G CA -0.162 44.921 45.100 -0.029 0.000 0.646 353 G HN 0.417 nan 8.290 nan 0.000 0.517 354 A N 0.075 122.870 122.820 -0.042 0.000 2.354 354 A HA 0.790 5.110 4.320 -0.000 0.000 0.269 354 A C 0.542 178.113 177.584 -0.022 0.000 1.109 354 A CA 0.765 52.774 52.037 -0.046 0.000 0.800 354 A CB 0.765 19.727 19.000 -0.063 0.000 1.045 354 A HN 1.040 nan 8.150 nan 0.000 0.489 355 S N 1.613 117.304 115.700 -0.015 0.000 2.482 355 S HA 0.495 4.965 4.470 -0.000 0.000 0.303 355 S C -0.344 174.258 174.600 0.003 0.000 1.091 355 S CA -0.653 57.545 58.200 -0.003 0.000 1.057 355 S CB 1.157 64.355 63.200 -0.004 0.000 1.031 355 S HN 0.626 nan 8.310 nan 0.000 0.485 356 L N 2.938 124.166 121.223 0.009 0.000 2.464 356 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 356 L C 0.731 177.602 176.870 0.003 0.000 1.199 356 L CA 0.663 55.511 54.840 0.012 0.000 0.818 356 L CB 0.766 42.838 42.059 0.021 0.000 1.102 356 L HN 0.902 nan 8.230 nan 0.000 0.473 357 M N 0.347 119.945 119.600 -0.004 0.000 2.227 357 M HA 0.070 4.550 4.480 -0.000 0.000 0.226 357 M C -0.264 176.022 176.300 -0.023 0.000 1.423 357 M CA 0.354 55.644 55.300 -0.017 0.000 1.055 357 M CB 1.177 33.757 32.600 -0.033 0.000 1.572 357 M HN 0.662 nan 8.290 nan 0.000 0.567 358 T N 0.134 114.677 114.554 -0.019 0.000 3.012 358 T HA 0.557 4.907 4.350 -0.000 0.000 0.330 358 T C -0.376 174.328 174.700 0.005 0.000 1.321 358 T CA 0.552 62.641 62.100 -0.019 0.000 1.067 358 T CB 1.493 70.333 68.868 -0.046 0.000 1.235 358 T HN 0.769 nan 8.240 nan 0.000 0.479 359 G N 2.165 110.976 108.800 0.017 0.000 2.598 359 G HA2 0.300 4.260 3.960 -0.000 0.000 0.244 359 G HA3 0.300 4.260 3.960 -0.000 0.000 0.244 359 G C 0.756 175.697 174.900 0.069 0.000 1.302 359 G CA 0.932 46.066 45.100 0.057 0.000 0.903 359 G HN 2.282 nan 8.290 nan 0.000 0.575 360 G N -3.788 105.085 108.800 0.122 0.000 2.296 360 G HA2 0.530 4.490 3.960 -0.000 0.000 0.188 360 G HA3 0.530 4.490 3.960 -0.000 0.000 0.188 360 G C 0.613 175.587 174.900 0.122 0.000 1.000 360 G CA 1.464 46.640 45.100 0.128 0.000 0.672 360 G HN 2.345 nan 8.290 nan 0.000 0.483 361 K N 0.289 120.723 120.400 0.057 0.000 2.312 361 K HA 0.932 5.251 4.320 -0.000 0.000 0.236 361 K C 0.145 176.549 176.600 -0.327 0.000 1.079 361 K CA -0.416 55.829 56.287 -0.070 0.000 0.900 361 K CB 0.558 33.011 32.500 -0.078 0.000 1.297 361 K HN 0.460 nan 8.250 nan 0.000 0.498 362 R N 1.228 121.464 120.500 -0.441 0.000 2.254 362 R HA 0.258 4.598 4.340 -0.000 0.000 0.318 362 R C -0.475 175.675 176.300 -0.249 0.000 1.031 362 R CA -0.691 55.037 56.100 -0.620 0.000 0.905 362 R CB 0.509 30.518 30.300 -0.484 0.000 1.050 362 R HN 0.817 nan 8.270 nan 0.000 0.456 363 H N 1.387 120.327 119.070 -0.217 0.000 2.948 363 H HA -0.043 4.513 4.556 -0.000 0.000 0.351 363 H C 1.169 176.451 175.328 -0.078 0.000 1.079 363 H CA 1.034 57.037 56.048 -0.074 0.000 1.407 363 H CB 1.078 30.869 29.762 0.049 0.000 1.373 363 H HN 0.807 nan 8.280 nan 0.000 0.605 364 A N 4.651 127.205 122.820 -0.442 0.000 2.024 364 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 364 A C 2.593 180.100 177.584 -0.129 0.000 1.164 364 A CA 1.922 53.797 52.037 -0.270 0.000 0.643 364 A CB -1.250 17.555 19.000 -0.324 0.000 0.806 364 A HN 0.711 nan 8.150 nan 0.000 0.451 365 L N -1.652 119.553 121.223 -0.031 0.000 2.551 365 L HA 0.418 4.758 4.340 -0.000 0.000 0.228 365 L C 1.946 178.823 176.870 0.012 0.000 1.153 365 L CA 1.467 56.273 54.840 -0.057 0.000 0.851 365 L CB -2.248 39.660 42.059 -0.252 0.000 0.959 365 L HN 1.588 nan 8.230 nan 0.000 0.451 366 G N -1.597 107.234 108.800 0.051 0.000 2.566 366 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.280 366 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.280 366 G C 0.530 175.545 174.900 0.193 0.000 1.225 366 G CA 1.156 46.263 45.100 0.011 0.000 0.966 366 G HN 1.635 nan 8.290 nan 0.000 0.560 367 H N -1.940 117.207 119.070 0.128 0.000 1.452 367 H HA -0.272 4.284 4.556 -0.000 0.000 0.090 367 H C 2.044 177.440 175.328 0.114 0.000 0.613 367 H CA 3.305 59.431 56.048 0.129 0.000 1.901 367 H CB -1.414 28.462 29.762 0.190 0.000 2.257 367 H HN 1.750 nan 8.280 nan 0.000 0.961 368 G N -0.423 108.556 108.800 0.299 0.000 3.377 368 G HA2 0.335 4.294 3.960 -0.000 0.000 0.257 368 G HA3 0.335 4.294 3.960 -0.000 0.000 0.257 368 G C -0.559 174.396 174.900 0.092 0.000 1.038 368 G CA -0.318 44.861 45.100 0.131 0.000 0.809 368 G HN 0.176 nan 8.290 nan 0.000 0.526 369 F N 0.990 121.026 119.950 0.144 0.000 2.506 369 F HA 0.509 5.036 4.527 -0.000 0.000 0.371 369 F C 0.084 175.966 175.800 0.137 0.000 1.078 369 F CA -0.288 57.783 58.000 0.118 0.000 1.195 369 F CB 0.597 39.652 39.000 0.092 0.000 1.099 369 F HN -0.026 nan 8.300 nan 0.000 0.548 370 F N 2.048 122.096 119.950 0.163 0.000 2.579 370 F HA 0.381 4.908 4.527 -0.000 0.000 0.324 370 F C -0.026 175.852 175.800 0.131 0.000 1.058 370 F CA -0.936 57.151 58.000 0.144 0.000 0.944 370 F CB 1.428 40.480 39.000 0.087 0.000 1.245 370 F HN 0.334 nan 8.300 nan 0.000 0.477 371 E N 3.131 123.602 120.200 0.451 0.000 2.266 371 E HA 0.292 4.641 4.350 -0.000 0.000 0.277 371 E C -2.431 174.325 176.600 0.259 0.000 1.018 371 E CA -2.223 54.361 56.400 0.307 0.000 0.840 371 E CB 1.171 31.008 29.700 0.227 0.000 1.082 371 E HN 0.118 nan 8.360 nan 0.000 0.395 372 P HA 0.018 nan 4.420 nan 0.000 0.264 372 P C -1.280 176.039 177.300 0.032 0.000 1.236 372 P CA 0.206 63.270 63.100 -0.060 0.000 0.811 372 P CB 0.521 32.026 31.700 -0.326 0.000 0.840 373 T N 2.931 117.573 114.554 0.147 0.000 2.824 373 T HA 0.470 4.820 4.350 -0.000 0.000 0.280 373 T C -0.205 174.563 174.700 0.114 0.000 0.995 373 T CA -0.437 61.744 62.100 0.134 0.000 1.009 373 T CB 1.034 69.998 68.868 0.160 0.000 0.955 373 T HN -0.039 nan 8.240 nan 0.000 0.452 374 V N 4.606 124.546 119.914 0.043 0.000 2.488 374 V HA 0.401 4.521 4.120 -0.000 0.000 0.293 374 V C -0.354 175.723 176.094 -0.027 0.000 1.027 374 V CA -0.757 61.529 62.300 -0.023 0.000 0.862 374 V CB 1.344 33.117 31.823 -0.084 0.000 1.008 374 V HN 0.754 nan 8.190 nan 0.000 0.428 375 L N 3.898 125.107 121.223 -0.024 0.000 2.387 375 L HA 0.828 5.167 4.340 -0.000 0.000 0.266 375 L C 0.596 177.459 176.870 -0.011 0.000 1.059 375 L CA -0.239 54.593 54.840 -0.013 0.000 0.801 375 L CB 2.237 44.290 42.059 -0.009 0.000 1.223 375 L HN 0.803 nan 8.230 nan 0.000 0.456 376 T N -2.843 111.722 114.554 0.018 0.000 2.906 376 T HA 0.598 4.948 4.350 -0.000 0.000 0.295 376 T C 0.313 175.043 174.700 0.051 0.000 1.075 376 T CA -0.166 61.994 62.100 0.100 0.000 1.005 376 T CB 1.736 70.692 68.868 0.146 0.000 1.136 376 T HN 0.996 nan 8.240 nan 0.000 0.498 377 G N 0.606 109.456 108.800 0.085 0.000 2.298 377 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.287 377 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.287 377 G C -0.177 174.648 174.900 -0.125 0.000 1.075 377 G CA -0.075 44.993 45.100 -0.054 0.000 0.960 377 G HN 1.215 nan 8.290 nan 0.000 0.502 378 V N -0.141 119.645 119.914 -0.213 0.000 2.383 378 V HA 0.809 4.929 4.120 -0.000 0.000 0.275 378 V C 0.693 176.426 176.094 -0.602 0.000 1.036 378 V CA 0.264 62.261 62.300 -0.505 0.000 0.889 378 V CB 0.970 32.291 31.823 -0.837 0.000 0.985 378 V HN 0.918 nan 8.190 nan 0.000 0.459 379 K N 6.534 126.711 120.400 -0.370 0.000 2.185 379 K HA 0.692 5.012 4.320 -0.000 0.000 0.240 379 K C -2.008 174.596 176.600 0.007 0.000 0.983 379 K CA -1.716 54.498 56.287 -0.123 0.000 0.873 379 K CB 0.758 33.232 32.500 -0.044 0.000 1.118 379 K HN 0.516 nan 8.250 nan 0.000 0.441 380 P HA -0.092 nan 4.420 nan 0.000 0.242 380 P C -0.088 177.312 177.300 0.167 0.000 1.197 380 P CA 1.201 64.487 63.100 0.309 0.000 0.765 380 P CB -0.042 31.828 31.700 0.282 0.000 0.936 381 D N -0.509 119.945 120.400 0.090 0.000 2.183 381 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 381 D C 1.004 177.326 176.300 0.037 0.000 0.969 381 D CA 0.526 54.557 54.000 0.053 0.000 0.842 381 D CB -0.889 39.928 40.800 0.028 0.000 0.957 381 D HN 0.122 nan 8.370 nan 0.000 0.484 382 M N 1.115 120.728 119.600 0.022 0.000 2.248 382 M HA 0.025 4.505 4.480 -0.000 0.000 0.345 382 M C 0.609 176.908 176.300 -0.002 0.000 1.243 382 M CA -0.073 55.220 55.300 -0.012 0.000 1.090 382 M CB 0.822 33.386 32.600 -0.060 0.000 1.683 382 M HN -0.137 nan 8.290 nan 0.000 0.450 383 D N 1.979 122.337 120.400 -0.070 0.000 2.263 383 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 383 D C 1.761 177.967 176.300 -0.157 0.000 0.971 383 D CA 0.795 54.736 54.000 -0.098 0.000 0.867 383 D CB 0.279 41.005 40.800 -0.123 0.000 0.929 383 D HN 0.488 nan 8.370 nan 0.000 0.492 384 V N 0.644 120.410 119.914 -0.246 0.000 2.469 384 V HA -0.205 3.915 4.120 -0.000 0.000 0.251 384 V C 1.967 178.142 176.094 0.135 0.000 1.064 384 V CA 1.963 64.205 62.300 -0.096 0.000 1.066 384 V CB -0.472 31.377 31.823 0.044 0.000 0.667 384 V HN 0.264 nan 8.190 nan 0.000 0.461 385 A N -1.058 121.883 122.820 0.201 0.000 2.258 385 A HA 0.254 4.574 4.320 -0.000 0.000 0.206 385 A C 1.738 179.409 177.584 0.145 0.000 1.222 385 A CA 1.414 53.591 52.037 0.232 0.000 0.822 385 A CB -0.626 18.606 19.000 0.388 0.000 0.804 385 A HN 0.712 nan 8.150 nan 0.000 0.483 386 K N -0.431 120.046 120.400 0.128 0.000 2.585 386 K HA 0.416 4.736 4.320 -0.000 0.000 0.210 386 K C -0.178 176.543 176.600 0.201 0.000 1.294 386 K CA 0.406 56.766 56.287 0.122 0.000 1.025 386 K CB 0.188 32.730 32.500 0.071 0.000 1.076 386 K HN 0.563 nan 8.250 nan 0.000 0.613 387 E N 0.617 120.953 120.200 0.226 0.000 2.366 387 E HA 0.223 4.572 4.350 -0.000 0.000 0.278 387 E C -1.358 175.411 176.600 0.281 0.000 0.923 387 E CA -0.573 56.002 56.400 0.292 0.000 0.761 387 E CB 1.447 31.329 29.700 0.304 0.000 1.231 387 E HN 0.265 nan 8.360 nan 0.000 0.443 388 E N 1.986 122.276 120.200 0.149 0.000 2.351 388 E HA 0.036 4.386 4.350 -0.000 0.000 0.266 388 E C 0.278 176.835 176.600 -0.073 0.000 1.031 388 E CA 0.340 56.684 56.400 -0.094 0.000 0.911 388 E CB 1.394 30.903 29.700 -0.317 0.000 0.986 388 E HN 0.544 nan 8.360 nan 0.000 0.446 389 T N 2.766 117.245 114.554 -0.125 0.000 2.668 389 T HA -0.113 4.237 4.350 -0.000 0.000 0.258 389 T C 0.630 175.312 174.700 -0.031 0.000 1.051 389 T CA 0.437 62.447 62.100 -0.150 0.000 1.155 389 T CB -0.261 68.587 68.868 -0.034 0.000 0.864 389 T HN 0.663 nan 8.240 nan 0.000 0.413 390 F N 0.887 120.830 119.950 -0.011 0.000 3.058 390 F HA -0.120 4.406 4.527 -0.000 0.000 0.295 390 F C 0.711 176.516 175.800 0.009 0.000 0.875 390 F CA -0.030 57.988 58.000 0.031 0.000 1.150 390 F CB -1.578 37.477 39.000 0.093 0.000 1.175 390 F HN 0.472 nan 8.300 nan 0.000 0.599 391 G N -0.926 107.926 108.800 0.086 0.000 2.788 391 G HA2 0.688 4.648 3.960 -0.000 0.000 0.293 391 G HA3 0.688 4.648 3.960 -0.000 0.000 0.293 391 G C -2.936 171.990 174.900 0.043 0.000 1.392 391 G CA -0.952 44.155 45.100 0.012 0.000 0.810 391 G HN -0.249 nan 8.290 nan 0.000 0.508 392 P HA 0.259 nan 4.420 nan 0.000 0.236 392 P C -0.373 177.102 177.300 0.292 0.000 1.709 392 P CA -0.326 62.950 63.100 0.293 0.000 0.942 392 P CB 0.110 32.003 31.700 0.321 0.000 1.615 393 L N 0.489 121.776 121.223 0.107 0.000 2.257 393 L HA 0.637 4.976 4.340 -0.000 0.000 0.290 393 L C -0.039 176.882 176.870 0.085 0.000 1.044 393 L CA -0.769 54.128 54.840 0.096 0.000 0.810 393 L CB 0.601 42.696 42.059 0.060 0.000 1.193 393 L HN -0.004 nan 8.230 nan 0.000 0.425 394 A N 7.649 130.513 122.820 0.072 0.000 2.969 394 A HA 0.627 4.947 4.320 -0.000 0.000 0.328 394 A C -2.517 175.087 177.584 0.034 0.000 1.355 394 A CA -1.258 50.791 52.037 0.020 0.000 1.018 394 A CB -0.604 18.231 19.000 -0.275 0.000 1.159 394 A HN 0.569 nan 8.150 nan 0.000 0.505 395 P HA 0.248 nan 4.420 nan 0.000 0.281 395 P C -0.406 177.033 177.300 0.231 0.000 1.286 395 P CA 0.087 63.270 63.100 0.138 0.000 0.772 395 P CB 0.806 32.603 31.700 0.162 0.000 0.862 396 L N 4.714 125.993 121.223 0.093 0.000 2.319 396 L HA 0.332 4.671 4.340 -0.000 0.000 0.280 396 L C 0.607 177.581 176.870 0.174 0.000 1.099 396 L CA -0.160 54.772 54.840 0.154 0.000 0.828 396 L CB -0.333 41.685 42.059 -0.069 0.000 1.150 396 L HN 0.270 nan 8.230 nan 0.000 0.442 397 F N 1.237 121.207 119.950 0.032 0.000 2.457 397 F HA 0.720 5.247 4.527 -0.000 0.000 0.330 397 F C 0.791 176.777 175.800 0.310 0.000 1.069 397 F CA -0.688 57.333 58.000 0.036 0.000 1.009 397 F CB 1.178 39.929 39.000 -0.414 0.000 1.276 397 F HN 0.466 nan 8.300 nan 0.000 0.492 398 R N 1.730 122.518 120.500 0.480 0.000 2.480 398 R HA 0.678 5.018 4.340 -0.000 0.000 0.306 398 R C -1.628 174.906 176.300 0.389 0.000 0.958 398 R CA -0.685 55.627 56.100 0.352 0.000 0.861 398 R CB 0.580 30.907 30.300 0.046 0.000 1.171 398 R HN 0.691 nan 8.270 nan 0.000 0.445 399 F N -0.014 120.086 119.950 0.249 0.000 2.563 399 F HA 0.832 5.359 4.527 -0.000 0.000 0.316 399 F C 0.692 176.588 175.800 0.160 0.000 1.076 399 F CA -0.721 57.393 58.000 0.190 0.000 0.921 399 F CB 2.147 41.243 39.000 0.160 0.000 1.209 399 F HN 0.561 nan 8.300 nan 0.000 0.462 400 A N 1.496 124.478 122.820 0.270 0.000 1.997 400 A HA 0.364 4.684 4.320 -0.000 0.000 0.214 400 A C 0.837 178.672 177.584 0.419 0.000 1.458 400 A CA 0.787 52.946 52.037 0.203 0.000 0.692 400 A CB -1.001 18.077 19.000 0.129 0.000 1.145 400 A HN 0.944 nan 8.150 nan 0.000 0.515 401 S N -0.650 115.276 115.700 0.376 0.000 2.617 401 S HA 0.341 4.811 4.470 -0.000 0.000 0.283 401 S C 0.652 175.460 174.600 0.346 0.000 1.189 401 S CA 0.287 58.681 58.200 0.323 0.000 1.036 401 S CB 1.733 65.048 63.200 0.191 0.000 1.014 401 S HN 0.490 nan 8.310 nan 0.000 0.522 402 E N 0.907 121.300 120.200 0.321 0.000 2.070 402 E HA -0.268 4.081 4.350 -0.000 0.000 0.197 402 E C 1.684 178.347 176.600 0.106 0.000 1.004 402 E CA 1.472 58.039 56.400 0.280 0.000 0.805 402 E CB -0.204 29.616 29.700 0.199 0.000 0.744 402 E HN 0.842 nan 8.360 nan 0.000 0.451 403 E N 0.648 120.899 120.200 0.085 0.000 2.118 403 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 403 E C 1.960 178.569 176.600 0.015 0.000 0.992 403 E CA 1.257 57.679 56.400 0.037 0.000 0.804 403 E CB -0.076 29.649 29.700 0.041 0.000 0.741 403 E HN 0.405 nan 8.360 nan 0.000 0.458 404 E N 0.268 120.497 120.200 0.048 0.000 2.051 404 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 404 E C 2.471 179.035 176.600 -0.061 0.000 0.991 404 E CA 0.988 57.411 56.400 0.038 0.000 0.799 404 E CB -0.160 29.614 29.700 0.124 0.000 0.748 404 E HN 0.210 nan 8.360 nan 0.000 0.449 405 L N 0.702 121.825 121.223 -0.166 0.000 2.013 405 L HA -0.207 4.132 4.340 -0.000 0.000 0.212 405 L C 2.293 178.923 176.870 -0.400 0.000 1.073 405 L CA 1.536 56.094 54.840 -0.470 0.000 0.753 405 L CB -0.436 41.099 42.059 -0.873 0.000 0.890 405 L HN 0.030 nan 8.230 nan 0.000 0.432 406 V N -0.026 119.746 119.914 -0.237 0.000 2.287 406 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 406 V C 2.768 178.771 176.094 -0.153 0.000 1.053 406 V CA 2.335 64.528 62.300 -0.178 0.000 1.027 406 V CB -0.882 30.883 31.823 -0.096 0.000 0.646 406 V HN 0.535 nan 8.190 nan 0.000 0.447 407 R N -0.698 119.734 120.500 -0.113 0.000 2.091 407 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 407 R C 2.222 178.463 176.300 -0.098 0.000 1.136 407 R CA 1.582 57.635 56.100 -0.078 0.000 0.959 407 R CB -0.246 30.029 30.300 -0.042 0.000 0.856 407 R HN 0.342 nan 8.270 nan 0.000 0.437 408 L N 0.227 121.354 121.223 -0.160 0.000 2.005 408 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 408 L C 2.495 179.202 176.870 -0.272 0.000 1.072 408 L CA 2.136 56.859 54.840 -0.194 0.000 0.744 408 L CB -1.049 40.845 42.059 -0.275 0.000 0.895 408 L HN 0.224 nan 8.230 nan 0.000 0.433 409 A N -0.717 121.836 122.820 -0.445 0.000 1.972 409 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 409 A C 1.787 179.368 177.584 -0.004 0.000 1.169 409 A CA 1.722 53.561 52.037 -0.330 0.000 0.635 409 A CB -0.540 18.199 19.000 -0.434 0.000 0.810 409 A HN 0.535 nan 8.150 nan 0.000 0.446 410 N N -0.162 118.520 118.700 -0.030 0.000 2.314 410 N HA -0.004 4.735 4.740 -0.000 0.000 0.200 410 N C 0.570 176.054 175.510 -0.043 0.000 1.135 410 N CA 0.448 53.500 53.050 0.004 0.000 0.835 410 N CB 0.207 38.683 38.487 -0.018 0.000 0.989 410 N HN 0.461 nan 8.380 nan 0.000 0.478 411 D N 0.296 120.672 120.400 -0.039 0.000 2.149 411 D HA -0.065 4.574 4.640 -0.000 0.000 0.201 411 D C 0.498 176.761 176.300 -0.062 0.000 0.972 411 D CA 0.773 54.750 54.000 -0.039 0.000 0.835 411 D CB 0.091 40.885 40.800 -0.011 0.000 0.966 411 D HN -0.004 nan 8.370 nan 0.000 0.476 412 T N -0.762 113.758 114.554 -0.057 0.000 2.900 412 T HA 0.309 4.659 4.350 -0.000 0.000 0.307 412 T C 1.063 175.608 174.700 -0.258 0.000 1.065 412 T CA 0.686 62.706 62.100 -0.132 0.000 1.105 412 T CB 1.195 70.044 68.868 -0.031 0.000 0.979 412 T HN 0.184 nan 8.240 nan 0.000 0.544 413 E N 2.841 122.752 120.200 -0.482 0.000 2.511 413 E HA 0.181 4.531 4.350 -0.000 0.000 0.196 413 E C 0.106 176.395 176.600 -0.517 0.000 1.066 413 E CA 0.714 56.803 56.400 -0.519 0.000 0.871 413 E CB -0.402 28.956 29.700 -0.571 0.000 0.863 413 E HN 0.591 nan 8.360 nan 0.000 0.520 414 F N -1.089 118.780 119.950 -0.135 0.000 2.518 414 F HA 0.738 5.264 4.527 -0.000 0.000 0.338 414 F C 1.098 176.639 175.800 -0.431 0.000 1.065 414 F CA -1.395 56.488 58.000 -0.195 0.000 1.012 414 F CB 2.140 41.069 39.000 -0.119 0.000 1.297 414 F HN -0.040 nan 8.300 nan 0.000 0.489 415 G N 0.725 109.355 108.800 -0.283 0.000 3.748 415 G HA2 0.393 4.353 3.960 -0.000 0.000 0.292 415 G HA3 0.393 4.353 3.960 -0.000 0.000 0.292 415 G C -0.997 173.672 174.900 -0.385 0.000 3.340 415 G CA -0.178 44.406 45.100 -0.860 0.000 0.603 415 G HN 0.596 nan 8.290 nan 0.000 0.290 416 L N 1.548 122.693 121.223 -0.129 0.000 2.783 416 L HA 0.922 5.262 4.340 -0.000 0.000 0.174 416 L C 1.087 177.931 176.870 -0.043 0.000 1.235 416 L CA 1.307 56.092 54.840 -0.093 0.000 0.862 416 L CB 0.244 42.246 42.059 -0.096 0.000 1.249 416 L HN 0.610 nan 8.230 nan 0.000 0.518 417 A N -0.533 122.312 122.820 0.042 0.000 2.401 417 A HA 0.895 5.215 4.320 -0.000 0.000 0.310 417 A C -1.183 176.212 177.584 -0.315 0.000 1.075 417 A CA 0.014 51.939 52.037 -0.188 0.000 0.746 417 A CB 1.320 20.166 19.000 -0.258 0.000 1.277 417 A HN 0.516 nan 8.150 nan 0.000 0.425 418 A N 0.725 123.132 122.820 -0.688 0.000 2.520 418 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 418 A C -1.618 175.466 177.584 -0.832 0.000 1.051 418 A CA -0.411 51.153 52.037 -0.789 0.000 0.690 418 A CB 0.882 19.271 19.000 -1.018 0.000 1.281 418 A HN 0.866 nan 8.150 nan 0.000 0.402 419 Y N 0.209 120.313 120.300 -0.326 0.000 2.562 419 Y HA 0.783 5.333 4.550 -0.000 0.000 0.343 419 Y C -0.383 175.251 175.900 -0.444 0.000 1.025 419 Y CA -1.050 56.829 58.100 -0.368 0.000 1.082 419 Y CB 2.408 40.652 38.460 -0.359 0.000 1.264 419 Y HN 0.738 nan 8.280 nan 0.000 0.478 420 L N 1.962 123.012 121.223 -0.289 0.000 2.588 420 L HA 0.545 4.885 4.340 -0.000 0.000 0.263 420 L C -2.465 174.270 176.870 -0.224 0.000 0.935 420 L CA -0.657 54.058 54.840 -0.208 0.000 0.891 420 L CB 1.268 43.218 42.059 -0.181 0.000 1.318 420 L HN 0.615 nan 8.230 nan 0.000 0.409 421 Y N 3.472 123.695 120.300 -0.128 0.000 2.376 421 Y HA 0.840 5.390 4.550 -0.000 0.000 0.340 421 Y C 0.328 176.283 175.900 0.092 0.000 0.965 421 Y CA 0.059 58.139 58.100 -0.032 0.000 1.078 421 Y CB 2.343 40.789 38.460 -0.024 0.000 1.193 421 Y HN 0.824 nan 8.280 nan 0.000 0.452 422 S N 1.869 117.660 115.700 0.151 0.000 2.656 422 S HA 0.432 4.902 4.470 -0.000 0.000 0.265 422 S C -0.606 174.017 174.600 0.038 0.000 1.110 422 S CA -0.678 57.585 58.200 0.104 0.000 0.821 422 S CB 1.425 64.619 63.200 -0.010 0.000 1.099 422 S HN 0.640 nan 8.310 nan 0.000 0.471 423 R N 0.903 121.415 120.500 0.021 0.000 2.369 423 R HA 0.375 4.715 4.340 -0.000 0.000 0.210 423 R C -0.454 175.841 176.300 -0.009 0.000 0.881 423 R CA 0.441 56.551 56.100 0.017 0.000 1.031 423 R CB -0.002 30.322 30.300 0.039 0.000 1.184 423 R HN 0.698 nan 8.270 nan 0.000 0.581 424 D N 0.632 121.007 120.400 -0.041 0.000 2.344 424 D HA -0.009 4.631 4.640 -0.000 0.000 0.253 424 D C 1.429 177.706 176.300 -0.037 0.000 1.255 424 D CA -0.019 53.951 54.000 -0.050 0.000 0.894 424 D CB 0.417 41.163 40.800 -0.090 0.000 1.067 424 D HN -0.062 nan 8.370 nan 0.000 0.492 425 I N 4.299 124.871 120.570 0.002 0.000 2.145 425 I HA -0.212 3.958 4.170 -0.000 0.000 0.244 425 I C 1.879 178.052 176.117 0.094 0.000 1.075 425 I CA 1.762 63.099 61.300 0.062 0.000 1.332 425 I CB -0.918 37.110 38.000 0.047 0.000 1.033 425 I HN 0.691 nan 8.210 nan 0.000 0.410 426 G N -0.054 108.755 108.800 0.014 0.000 2.418 426 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 426 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 426 G C 1.903 176.800 174.900 -0.004 0.000 1.158 426 G CA 0.403 45.504 45.100 0.001 0.000 0.771 426 G HN 0.313 nan 8.290 nan 0.000 0.545 427 R N -0.102 120.348 120.500 -0.083 0.000 2.115 427 R HA 0.010 4.350 4.340 -0.000 0.000 0.230 427 R C 2.660 178.852 176.300 -0.181 0.000 1.111 427 R CA 0.903 56.889 56.100 -0.190 0.000 0.976 427 R CB -0.227 29.853 30.300 -0.366 0.000 0.870 427 R HN 0.327 nan 8.270 nan 0.000 0.445 428 V N -0.531 119.320 119.914 -0.106 0.000 2.261 428 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 428 V C 1.807 177.849 176.094 -0.086 0.000 1.047 428 V CA 1.818 64.051 62.300 -0.111 0.000 1.015 428 V CB -0.617 31.151 31.823 -0.090 0.000 0.642 428 V HN 0.419 nan 8.190 nan 0.000 0.446 429 W N 0.382 121.612 121.300 -0.117 0.000 2.363 429 W HA -0.081 4.579 4.660 -0.000 0.000 0.296 429 W C 2.804 179.266 176.519 -0.094 0.000 1.212 429 W CA 1.443 58.730 57.345 -0.096 0.000 1.260 429 W CB -0.333 29.080 29.460 -0.079 0.000 1.131 429 W HN 0.063 nan 8.180 nan 0.000 0.530 430 R N -0.409 120.159 120.500 0.112 0.000 2.073 430 R HA -0.156 4.184 4.340 -0.000 0.000 0.234 430 R C 1.877 178.164 176.300 -0.021 0.000 1.134 430 R CA 1.954 58.074 56.100 0.033 0.000 0.952 430 R CB -1.162 29.132 30.300 -0.009 0.000 0.850 430 R HN 0.134 nan 8.270 nan 0.000 0.433 431 V N 0.970 120.845 119.914 -0.064 0.000 2.307 431 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 431 V C 2.513 178.538 176.094 -0.114 0.000 1.045 431 V CA 1.846 64.098 62.300 -0.081 0.000 1.024 431 V CB -0.821 30.963 31.823 -0.064 0.000 0.651 431 V HN 0.380 nan 8.190 nan 0.000 0.449 432 A N -0.220 122.507 122.820 -0.155 0.000 1.883 432 A HA -0.290 4.029 4.320 -0.000 0.000 0.217 432 A C 2.201 179.691 177.584 -0.157 0.000 1.186 432 A CA 2.181 54.090 52.037 -0.213 0.000 0.624 432 A CB -0.552 18.240 19.000 -0.346 0.000 0.822 432 A HN 0.619 nan 8.150 nan 0.000 0.444 433 E N -0.641 119.500 120.200 -0.098 0.000 2.077 433 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 433 E C 2.202 178.777 176.600 -0.042 0.000 0.989 433 E CA 0.963 57.336 56.400 -0.046 0.000 0.800 433 E CB -0.237 29.478 29.700 0.025 0.000 0.746 433 E HN 0.625 nan 8.360 nan 0.000 0.452 434 A N 0.804 123.598 122.820 -0.044 0.000 2.067 434 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 434 A C 1.063 178.625 177.584 -0.037 0.000 1.156 434 A CA 0.195 52.209 52.037 -0.039 0.000 0.683 434 A CB -0.216 18.760 19.000 -0.040 0.000 0.808 434 A HN 0.081 nan 8.150 nan 0.000 0.455 435 L N 1.685 122.880 121.223 -0.047 0.000 2.433 435 L HA 0.078 4.418 4.340 -0.000 0.000 0.275 435 L C -0.032 176.904 176.870 0.109 0.000 1.128 435 L CA -0.205 54.641 54.840 0.009 0.000 0.875 435 L CB 0.492 42.487 42.059 -0.106 0.000 1.171 435 L HN 0.339 nan 8.230 nan 0.000 0.463 436 E N 4.953 125.242 120.200 0.147 0.000 2.222 436 E HA 0.112 4.462 4.350 -0.000 0.000 0.312 436 E C -1.228 175.291 176.600 -0.135 0.000 1.263 436 E CA 0.116 56.511 56.400 -0.009 0.000 1.356 436 E CB -0.151 29.490 29.700 -0.099 0.000 1.180 436 E HN 0.411 nan 8.360 nan 0.000 0.494 437 Y N -1.340 118.877 120.300 -0.139 0.000 2.492 437 Y HA 0.297 4.846 4.550 -0.000 0.000 0.346 437 Y C 1.410 177.198 175.900 -0.188 0.000 0.997 437 Y CA -1.035 56.968 58.100 -0.162 0.000 1.025 437 Y CB 1.954 40.298 38.460 -0.193 0.000 1.263 437 Y HN 0.229 nan 8.280 nan 0.000 0.454 438 G N 2.074 110.817 108.800 -0.095 0.000 2.471 438 G HA2 0.003 3.963 3.960 -0.000 0.000 0.219 438 G HA3 0.003 3.963 3.960 -0.000 0.000 0.219 438 G C 0.126 174.908 174.900 -0.198 0.000 1.125 438 G CA 0.560 45.562 45.100 -0.163 0.000 0.775 438 G HN 0.459 nan 8.290 nan 0.000 0.548 439 M N 0.120 119.597 119.600 -0.204 0.000 2.324 439 M HA 0.466 4.945 4.480 -0.000 0.000 0.288 439 M C -1.741 174.384 176.300 -0.292 0.000 1.097 439 M CA -0.448 54.697 55.300 -0.258 0.000 0.928 439 M CB 3.501 35.899 32.600 -0.336 0.000 1.648 439 M HN -0.258 nan 8.290 nan 0.000 0.460 440 V N 1.545 121.276 119.914 -0.305 0.000 2.588 440 V HA 0.786 4.906 4.120 -0.000 0.000 0.304 440 V C 0.123 176.007 176.094 -0.351 0.000 1.042 440 V CA -0.678 61.394 62.300 -0.381 0.000 0.877 440 V CB 2.174 33.798 31.823 -0.331 0.000 0.996 440 V HN 0.989 nan 8.190 nan 0.000 0.425 441 G N 4.193 112.751 108.800 -0.403 0.000 2.367 441 G HA2 0.713 4.673 3.960 -0.000 0.000 0.314 441 G HA3 0.713 4.673 3.960 -0.000 0.000 0.314 441 G C -0.839 173.911 174.900 -0.250 0.000 1.130 441 G CA -0.438 44.529 45.100 -0.222 0.000 0.864 441 G HN 0.621 nan 8.290 nan 0.000 0.486 442 I N 2.023 122.435 120.570 -0.263 0.000 2.411 442 I HA 0.195 4.365 4.170 -0.000 0.000 0.284 442 I C -0.330 175.522 176.117 -0.443 0.000 1.012 442 I CA -0.795 60.299 61.300 -0.344 0.000 1.119 442 I CB 1.589 39.416 38.000 -0.288 0.000 1.261 442 I HN 0.469 nan 8.210 nan 0.000 0.448 443 N N 2.140 120.317 118.700 -0.871 0.000 2.725 443 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 443 N C -0.251 174.876 175.510 -0.638 0.000 1.103 443 N CA 1.236 53.511 53.050 -1.292 0.000 0.707 443 N CB -1.024 37.152 38.487 -0.518 0.000 1.043 443 N HN 0.755 nan 8.380 nan 0.000 0.553 444 T N -3.081 111.246 114.554 -0.378 0.000 2.885 444 T HA 0.612 4.962 4.350 -0.000 0.000 0.322 444 T C 0.894 175.759 174.700 0.274 0.000 1.387 444 T CA 0.043 62.204 62.100 0.101 0.000 1.041 444 T CB 1.441 70.341 68.868 0.053 0.000 1.287 444 T HN 0.075 nan 8.240 nan 0.000 0.491 445 G N 1.477 110.460 108.800 0.305 0.000 2.833 445 G HA2 0.307 4.267 3.960 -0.000 0.000 0.210 445 G HA3 0.307 4.267 3.960 -0.000 0.000 0.210 445 G C 0.138 175.148 174.900 0.183 0.000 1.139 445 G CA -0.074 45.139 45.100 0.188 0.000 0.771 445 G HN 0.587 nan 8.290 nan 0.000 0.535 446 L N 1.919 123.244 121.223 0.169 0.000 2.257 446 L HA 0.468 4.808 4.340 -0.000 0.000 0.290 446 L C 0.931 177.874 176.870 0.122 0.000 1.044 446 L CA -0.510 54.408 54.840 0.129 0.000 0.810 446 L CB 1.537 43.640 42.059 0.072 0.000 1.193 446 L HN 0.279 nan 8.230 nan 0.000 0.425 447 I N -2.093 118.558 120.570 0.135 0.000 4.471 447 I HA 0.225 4.395 4.170 -0.000 0.000 0.326 447 I C 0.509 176.671 176.117 0.075 0.000 1.300 447 I CA -0.034 61.316 61.300 0.084 0.000 1.237 447 I CB 0.826 38.861 38.000 0.057 0.000 1.195 447 I HN 0.338 nan 8.210 nan 0.000 0.427 448 S N 3.353 119.110 115.700 0.094 0.000 2.505 448 S HA 0.448 4.918 4.470 -0.000 0.000 0.276 448 S C -0.408 174.241 174.600 0.082 0.000 1.274 448 S CA -0.459 57.823 58.200 0.136 0.000 1.053 448 S CB 0.280 63.551 63.200 0.119 0.000 0.919 448 S HN 0.733 nan 8.310 nan 0.000 0.490 449 N N 0.342 119.108 118.700 0.110 0.000 3.039 449 N HA 0.291 5.031 4.740 -0.000 0.000 0.257 449 N C 0.391 175.757 175.510 -0.240 0.000 1.497 449 N CA -0.994 52.056 53.050 -0.001 0.000 0.861 449 N CB 0.504 38.931 38.487 -0.100 0.000 1.479 449 N HN 0.341 nan 8.380 nan 0.000 0.547 450 E N -0.112 119.702 120.200 -0.645 0.000 2.208 450 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 450 E C 1.375 177.271 176.600 -1.172 0.000 0.988 450 E CA 1.635 57.370 56.400 -1.108 0.000 0.828 450 E CB -0.457 28.456 29.700 -1.311 0.000 0.763 450 E HN 0.544 nan 8.360 nan 0.000 0.478 451 V N -1.194 118.132 119.914 -0.980 0.000 3.406 451 V HA 0.428 4.548 4.120 -0.000 0.000 0.263 451 V C 1.097 176.976 176.094 -0.359 0.000 1.172 451 V CA 0.232 61.956 62.300 -0.960 0.000 1.140 451 V CB -0.390 31.039 31.823 -0.656 0.000 0.784 451 V HN 0.277 nan 8.190 nan 0.000 0.467 452 A N 2.592 125.279 122.820 -0.220 0.000 2.331 452 A HA 0.711 5.031 4.320 -0.000 0.000 0.283 452 A C -2.424 175.187 177.584 0.044 0.000 1.142 452 A CA -1.800 50.209 52.037 -0.047 0.000 0.812 452 A CB 0.077 19.072 19.000 -0.009 0.000 1.074 452 A HN 0.410 nan 8.150 nan 0.000 0.497 453 P HA 0.133 nan 4.420 nan 0.000 0.269 453 P C -1.086 176.257 177.300 0.072 0.000 1.252 453 P CA 0.388 63.534 63.100 0.077 0.000 0.780 453 P CB 0.034 31.705 31.700 -0.048 0.000 0.829 454 F N 4.462 124.421 119.950 0.015 0.000 2.404 454 F HA 0.664 5.191 4.527 -0.000 0.000 0.354 454 F C 0.438 176.227 175.800 -0.019 0.000 1.122 454 F CA 0.591 58.592 58.000 0.001 0.000 1.080 454 F CB 1.282 40.306 39.000 0.041 0.000 1.131 454 F HN 0.578 nan 8.300 nan 0.000 0.471 455 G N 2.647 111.188 108.800 -0.431 0.000 2.315 455 G HA2 0.477 4.437 3.960 -0.000 0.000 0.294 455 G HA3 0.477 4.437 3.960 -0.000 0.000 0.294 455 G C -1.469 173.231 174.900 -0.332 0.000 1.300 455 G CA -0.207 44.738 45.100 -0.257 0.000 0.843 455 G HN 1.019 nan 8.290 nan 0.000 0.527 456 G N -1.875 106.806 108.800 -0.198 0.000 3.015 456 G HA2 0.982 4.942 3.960 -0.000 0.000 0.281 456 G HA3 0.982 4.942 3.960 -0.000 0.000 0.281 456 G C -0.439 174.381 174.900 -0.133 0.000 1.386 456 G CA 0.291 45.283 45.100 -0.180 0.000 0.959 456 G HN 1.943 nan 8.290 nan 0.000 0.522 457 V N -3.209 116.621 119.914 -0.140 0.000 3.164 457 V HA 0.862 4.982 4.120 -0.000 0.000 0.313 457 V C 0.763 176.792 176.094 -0.109 0.000 1.188 457 V CA -0.235 61.991 62.300 -0.122 0.000 1.058 457 V CB 1.051 32.789 31.823 -0.141 0.000 1.110 457 V HN 1.107 nan 8.190 nan 0.000 0.453 458 K N -0.929 119.415 120.400 -0.093 0.000 1.779 458 K HA -0.248 4.072 4.320 -0.000 0.000 0.128 458 K C 1.184 177.770 176.600 -0.024 0.000 1.288 458 K CA 2.081 58.321 56.287 -0.078 0.000 0.398 458 K CB -1.256 31.168 32.500 -0.127 0.000 0.609 458 K HN 0.843 nan 8.250 nan 0.000 0.874 459 Q N 0.452 120.267 119.800 0.025 0.000 2.403 459 Q HA 0.141 4.481 4.340 -0.000 0.000 0.203 459 Q C 1.403 177.526 176.000 0.204 0.000 0.932 459 Q CA 0.738 56.624 55.803 0.140 0.000 0.945 459 Q CB 0.732 29.582 28.738 0.186 0.000 1.045 459 Q HN 0.368 nan 8.270 nan 0.000 0.511 460 S N 0.018 115.782 115.700 0.107 0.000 2.515 460 S HA 0.195 4.665 4.470 -0.000 0.000 0.231 460 S C 0.997 175.601 174.600 0.005 0.000 0.987 460 S CA 0.612 58.823 58.200 0.018 0.000 0.936 460 S CB 0.199 63.365 63.200 -0.056 0.000 0.766 460 S HN 0.633 nan 8.310 nan 0.000 0.528 461 G N 0.693 109.502 108.800 0.015 0.000 2.297 461 G HA2 0.139 4.098 3.960 -0.000 0.000 0.209 461 G HA3 0.139 4.098 3.960 -0.000 0.000 0.209 461 G C -1.806 173.091 174.900 -0.006 0.000 1.267 461 G CA -0.563 44.549 45.100 0.020 0.000 1.127 461 G HN 0.757 nan 8.290 nan 0.000 0.498 462 L N -3.097 118.126 121.223 -0.001 0.000 2.518 462 L HA 0.958 5.298 4.340 -0.000 0.000 0.257 462 L C 0.496 177.358 176.870 -0.013 0.000 0.980 462 L CA 0.210 55.040 54.840 -0.017 0.000 0.837 462 L CB 1.581 43.631 42.059 -0.016 0.000 1.410 462 L HN 2.892 nan 8.230 nan 0.000 0.410 463 G N 0.657 109.443 108.800 -0.024 0.000 2.712 463 G HA2 0.138 4.098 3.960 -0.000 0.000 0.683 463 G HA3 0.138 4.098 3.960 -0.000 0.000 0.683 463 G C -1.345 173.556 174.900 0.002 0.000 1.320 463 G CA -0.834 44.257 45.100 -0.014 0.000 0.847 463 G HN 0.779 nan 8.290 nan 0.000 0.553 464 R N 0.205 120.729 120.500 0.040 0.000 2.744 464 R HA 0.614 4.954 4.340 -0.000 0.000 0.279 464 R C -0.583 175.822 176.300 0.174 0.000 0.977 464 R CA -0.737 55.416 56.100 0.089 0.000 0.906 464 R CB 1.990 32.319 30.300 0.049 0.000 1.197 464 R HN 0.720 nan 8.270 nan 0.000 0.463 465 E N 0.173 120.512 120.200 0.232 0.000 2.210 465 E HA 0.582 4.932 4.350 -0.000 0.000 0.266 465 E C -0.332 176.487 176.600 0.365 0.000 0.883 465 E CA -0.448 56.110 56.400 0.263 0.000 0.761 465 E CB 2.187 31.962 29.700 0.125 0.000 1.156 465 E HN 0.805 nan 8.360 nan 0.000 0.412 466 G N 2.247 111.392 108.800 0.575 0.000 2.712 466 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.683 466 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.683 466 G C 0.012 175.100 174.900 0.314 0.000 1.320 466 G CA -0.258 45.142 45.100 0.500 0.000 0.847 466 G HN 1.489 nan 8.290 nan 0.000 0.553 467 S N -2.226 113.490 115.700 0.026 0.000 3.307 467 S HA -0.253 4.217 4.470 -0.000 0.000 0.634 467 S C 1.113 175.986 174.600 0.454 0.000 2.711 467 S CA 2.310 60.605 58.200 0.159 0.000 2.940 467 S CB -1.093 62.189 63.200 0.137 0.000 0.331 467 S HN 2.867 nan 8.310 nan 0.000 1.766 468 H N -0.225 119.036 119.070 0.320 0.000 2.512 468 H HA 0.297 4.853 4.556 -0.000 0.000 0.279 468 H C 1.607 176.995 175.328 0.099 0.000 0.999 468 H CA 1.333 57.464 56.048 0.138 0.000 1.283 468 H CB -0.738 28.992 29.762 -0.053 0.000 1.421 468 H HN 0.585 nan 8.280 nan 0.000 0.554 469 Y N 1.207 121.442 120.300 -0.108 0.000 2.421 469 Y HA 0.046 4.596 4.550 -0.000 0.000 0.292 469 Y C 2.762 178.777 175.900 0.191 0.000 1.136 469 Y CA 0.901 59.017 58.100 0.027 0.000 1.255 469 Y CB -0.367 38.044 38.460 -0.081 0.000 0.991 469 Y HN 0.479 nan 8.280 nan 0.000 0.552 470 G N 0.116 109.192 108.800 0.459 0.000 2.418 470 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 470 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 470 G C 1.678 176.898 174.900 0.534 0.000 1.158 470 G CA 0.996 46.423 45.100 0.545 0.000 0.771 470 G HN 0.479 nan 8.290 nan 0.000 0.545 471 I N 0.316 121.228 120.570 0.570 0.000 2.546 471 I HA -0.045 4.125 4.170 -0.000 0.000 0.255 471 I C 1.852 178.181 176.117 0.354 0.000 1.163 471 I CA 0.694 62.277 61.300 0.471 0.000 1.457 471 I CB 0.037 38.285 38.000 0.413 0.000 1.092 471 I HN 0.018 nan 8.210 nan 0.000 0.434 472 D N 1.010 121.580 120.400 0.282 0.000 2.182 472 D HA -0.206 4.434 4.640 -0.000 0.000 0.201 472 D C 1.566 177.944 176.300 0.129 0.000 0.986 472 D CA 1.209 55.327 54.000 0.197 0.000 0.847 472 D CB -0.230 40.689 40.800 0.199 0.000 0.942 472 D HN 0.406 nan 8.370 nan 0.000 0.467 473 D N -0.508 119.935 120.400 0.072 0.000 2.264 473 D HA -0.128 4.512 4.640 -0.000 0.000 0.208 473 D C 1.388 177.542 176.300 -0.242 0.000 0.966 473 D CA 0.646 54.569 54.000 -0.128 0.000 0.864 473 D CB -0.048 40.593 40.800 -0.266 0.000 0.933 473 D HN 0.396 nan 8.370 nan 0.000 0.499 474 Y N 0.170 120.507 120.300 0.062 0.000 2.482 474 Y HA 0.062 4.612 4.550 -0.000 0.000 0.270 474 Y C 1.101 177.039 175.900 0.063 0.000 1.152 474 Y CA -0.271 57.855 58.100 0.043 0.000 1.292 474 Y CB 0.365 38.845 38.460 0.033 0.000 1.070 474 Y HN -0.214 nan 8.280 nan 0.000 0.528 475 V N -2.540 117.487 119.914 0.188 0.000 3.093 475 V HA 0.728 4.848 4.120 -0.000 0.000 0.320 475 V C -0.491 175.671 176.094 0.112 0.000 1.093 475 V CA -1.297 61.097 62.300 0.156 0.000 1.016 475 V CB 1.967 33.879 31.823 0.149 0.000 1.096 475 V HN -0.297 nan 8.190 nan 0.000 0.452 476 V N 2.167 122.150 119.914 0.114 0.000 2.656 476 V HA 0.614 4.734 4.120 -0.000 0.000 0.307 476 V C -0.555 175.593 176.094 0.091 0.000 1.051 476 V CA -0.564 61.793 62.300 0.096 0.000 0.893 476 V CB 1.841 33.727 31.823 0.104 0.000 0.999 476 V HN 1.069 nan 8.190 nan 0.000 0.426 477 I N 4.269 124.887 120.570 0.080 0.000 2.396 477 I HA 0.591 4.761 4.170 -0.000 0.000 0.292 477 I C -0.482 175.689 176.117 0.090 0.000 0.999 477 I CA 0.228 61.576 61.300 0.080 0.000 1.310 477 I CB 1.027 39.069 38.000 0.071 0.000 1.404 477 I HN 0.638 nan 8.210 nan 0.000 0.496 478 K N 5.929 126.385 120.400 0.094 0.000 2.413 478 K HA 0.298 4.618 4.320 -0.000 0.000 0.257 478 K C -1.899 174.791 176.600 0.150 0.000 0.946 478 K CA -0.808 55.540 56.287 0.102 0.000 0.823 478 K CB 1.104 33.644 32.500 0.067 0.000 1.109 478 K HN 0.716 nan 8.250 nan 0.000 0.427 479 Y N 6.062 126.373 120.300 0.019 0.000 2.341 479 Y HA 0.356 4.906 4.550 -0.000 0.000 0.340 479 Y C -1.472 174.434 175.900 0.011 0.000 0.997 479 Y CA -0.988 57.120 58.100 0.014 0.000 1.149 479 Y CB 0.563 39.031 38.460 0.014 0.000 1.171 479 Y HN 0.440 nan 8.280 nan 0.000 0.494 480 L N 7.580 128.755 121.223 -0.081 0.000 2.287 480 L HA 0.381 4.721 4.340 -0.000 0.000 0.287 480 L C -0.588 176.091 176.870 -0.318 0.000 1.022 480 L CA -0.769 53.926 54.840 -0.242 0.000 0.814 480 L CB 1.338 43.352 42.059 -0.074 0.000 1.217 480 L HN 0.732 nan 8.230 nan 0.000 0.420 481 C N 5.424 124.420 119.300 -0.506 0.000 2.203 481 C HA 0.556 5.016 4.460 -0.000 0.000 0.325 481 C C 0.273 175.193 174.990 -0.117 0.000 1.156 481 C CA -0.470 58.391 59.018 -0.262 0.000 1.597 481 C CB -0.235 27.312 27.740 -0.320 0.000 2.148 481 C HN 0.570 nan 8.230 nan 0.000 0.472 482 V N 6.837 126.724 119.914 -0.044 0.000 2.364 482 V HA 0.526 4.646 4.120 -0.000 0.000 0.272 482 V C 0.954 177.041 176.094 -0.012 0.000 1.036 482 V CA -0.340 61.942 62.300 -0.030 0.000 0.880 482 V CB 0.758 32.570 31.823 -0.017 0.000 0.991 482 V HN 1.027 nan 8.190 nan 0.000 0.460 483 A N 4.813 127.624 122.820 -0.016 0.000 2.477 483 A HA 0.597 4.917 4.320 -0.000 0.000 0.246 483 A C -0.059 177.523 177.584 -0.005 0.000 1.078 483 A CA 0.064 52.096 52.037 -0.007 0.000 0.770 483 A CB 0.896 19.890 19.000 -0.010 0.000 1.011 483 A HN 0.853 nan 8.150 nan 0.000 0.494 484 V N 0.000 119.914 119.914 -0.000 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 484 V CB 0.000 31.825 31.823 0.003 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556