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_C 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 3.961 3.960 0.001 0.000 0.244 3 G C 0.000 174.870 174.900 -0.050 0.000 0.946 3 G CA 0.000 45.061 45.100 -0.065 0.000 0.502 4 S N 1.317 116.989 115.700 -0.047 0.000 2.743 4 S HA 0.416 4.887 4.470 0.001 0.000 0.230 4 S C 0.637 175.218 174.600 -0.032 0.000 0.950 4 S CA 0.084 58.263 58.200 -0.034 0.000 0.976 4 S CB -0.260 62.923 63.200 -0.028 0.000 0.779 4 S HN 0.384 nan 8.310 nan 0.000 0.487 5 M N 0.375 119.952 119.600 -0.040 0.000 2.478 5 M HA 0.343 4.824 4.480 0.001 0.000 0.327 5 M C 1.033 177.317 176.300 -0.026 0.000 1.187 5 M CA -0.562 54.717 55.300 -0.034 0.000 1.022 5 M CB 1.180 33.752 32.600 -0.048 0.000 1.629 5 M HN -0.233 nan 8.290 nan 0.000 0.461 6 K N 0.446 120.837 120.400 -0.015 0.000 2.147 6 K HA -0.102 4.219 4.320 0.001 0.000 0.205 6 K C 0.063 176.659 176.600 -0.008 0.000 1.049 6 K CA 1.210 57.492 56.287 -0.009 0.000 0.936 6 K CB 0.097 32.596 32.500 -0.001 0.000 0.722 6 K HN 0.443 nan 8.250 nan 0.000 0.446 7 D N -1.088 119.306 120.400 -0.010 0.000 2.404 7 D HA 0.168 4.808 4.640 0.001 0.000 0.267 7 D C -2.360 173.912 176.300 -0.047 0.000 1.194 7 D CA -2.251 51.744 54.000 -0.008 0.000 0.910 7 D CB 1.255 42.073 40.800 0.030 0.000 1.090 7 D HN -0.173 nan 8.370 nan 0.000 0.511 8 P HA -0.064 nan 4.420 nan 0.000 0.230 8 P C 1.158 178.359 177.300 -0.166 0.000 1.158 8 P CA 0.615 63.653 63.100 -0.103 0.000 0.769 8 P CB 0.194 31.844 31.700 -0.082 0.000 0.807 9 S N -1.468 114.119 115.700 -0.189 0.000 2.607 9 S HA 0.030 4.501 4.470 0.001 0.000 0.224 9 S C 1.643 175.861 174.600 -0.637 0.000 0.969 9 S CA 0.320 58.304 58.200 -0.359 0.000 0.927 9 S CB -1.297 61.735 63.200 -0.280 0.000 0.772 9 S HN 0.107 nan 8.310 nan 0.000 0.533 10 L N 0.173 121.167 121.223 -0.383 0.000 2.291 10 L HA 0.232 4.572 4.340 0.001 0.000 0.214 10 L C 0.758 177.438 176.870 -0.318 0.000 1.120 10 L CA 0.214 54.858 54.840 -0.327 0.000 0.799 10 L CB -0.251 41.764 42.059 -0.074 0.000 0.925 10 L HN 0.329 nan 8.230 nan 0.000 0.446 11 L N 1.776 122.803 121.223 -0.326 0.000 2.342 11 L HA 0.207 4.548 4.340 0.001 0.000 0.285 11 L C -0.050 176.556 176.870 -0.439 0.000 1.095 11 L CA 0.269 54.877 54.840 -0.385 0.000 0.843 11 L CB -0.047 41.772 42.059 -0.400 0.000 1.201 11 L HN 0.003 nan 8.230 nan 0.000 0.445 12 R N 4.485 124.771 120.500 -0.356 0.000 2.532 12 R HA 0.379 4.719 4.340 0.001 0.000 0.295 12 R C 0.048 176.202 176.300 -0.243 0.000 0.968 12 R CA -0.492 55.431 56.100 -0.294 0.000 0.916 12 R CB 1.040 31.238 30.300 -0.169 0.000 1.124 12 R HN 0.625 nan 8.270 nan 0.000 0.463 13 H N 0.197 119.291 119.070 0.040 0.000 3.058 13 H HA 0.256 4.813 4.556 0.001 0.000 0.266 13 H C -0.213 175.159 175.328 0.075 0.000 1.135 13 H CA 0.020 56.120 56.048 0.087 0.000 1.174 13 H CB 1.726 31.498 29.762 0.018 0.000 1.581 13 H HN 0.378 nan 8.280 nan 0.000 0.553 14 Q N 0.451 120.383 119.800 0.221 0.000 2.377 14 Q HA 0.639 4.979 4.340 0.001 0.000 0.271 14 Q C -0.460 175.801 176.000 0.435 0.000 1.077 14 Q CA -0.821 55.154 55.803 0.287 0.000 0.820 14 Q CB 3.161 32.090 28.738 0.317 0.000 1.347 14 Q HN 0.219 nan 8.270 nan 0.000 0.444 15 A N 1.310 124.291 122.820 0.268 0.000 2.346 15 A HA 0.240 4.561 4.320 0.001 0.000 0.252 15 A C -1.369 176.275 177.584 0.099 0.000 1.089 15 A CA 0.067 52.214 52.037 0.183 0.000 0.797 15 A CB 0.271 19.316 19.000 0.075 0.000 1.047 15 A HN 0.684 nan 8.150 nan 0.000 0.494 16 Y N 1.733 121.843 120.300 -0.316 0.000 2.464 16 Y HA 0.509 5.059 4.550 0.001 0.000 0.326 16 Y C -0.901 174.763 175.900 -0.394 0.000 0.969 16 Y CA -1.199 56.481 58.100 -0.701 0.000 1.270 16 Y CB 0.645 38.452 38.460 -1.087 0.000 1.103 16 Y HN 0.403 nan 8.280 nan 0.000 0.491 17 I N 4.480 124.718 120.570 -0.553 0.000 2.474 17 I HA 0.354 4.524 4.170 0.001 0.000 0.294 17 I C 1.109 176.927 176.117 -0.498 0.000 1.005 17 I CA -0.632 60.428 61.300 -0.400 0.000 1.113 17 I CB 1.214 39.086 38.000 -0.212 0.000 1.289 17 I HN 0.846 nan 8.210 nan 0.000 0.436 18 G N 4.392 112.953 108.800 -0.399 0.000 2.380 18 G HA2 -0.167 3.793 3.960 0.001 0.000 0.298 18 G HA3 -0.167 3.793 3.960 0.001 0.000 0.298 18 G C 1.032 175.666 174.900 -0.443 0.000 0.989 18 G CA 1.049 45.948 45.100 -0.335 0.000 0.836 18 G HN 1.761 nan 8.290 nan 0.000 0.511 19 G N -1.857 106.448 108.800 -0.825 0.000 2.198 19 G HA2 -0.058 3.903 3.960 0.001 0.000 0.257 19 G HA3 -0.058 3.903 3.960 0.001 0.000 0.257 19 G C -0.154 174.325 174.900 -0.701 0.000 1.042 19 G CA 0.906 45.442 45.100 -0.939 0.000 0.791 19 G HN 1.179 nan 8.290 nan 0.000 0.502 20 E N -1.301 118.428 120.200 -0.786 0.000 2.263 20 E HA 0.520 4.871 4.350 0.001 0.000 0.268 20 E C -0.509 175.902 176.600 -0.315 0.000 0.884 20 E CA -0.804 55.390 56.400 -0.344 0.000 0.766 20 E CB 0.802 30.404 29.700 -0.163 0.000 1.196 20 E HN 0.308 nan 8.360 nan 0.000 0.416 21 W N 3.196 124.551 121.300 0.091 0.000 2.446 21 W HA 0.295 4.955 4.660 0.001 0.000 0.316 21 W C 0.223 176.780 176.519 0.062 0.000 1.376 21 W CA -0.073 57.356 57.345 0.140 0.000 1.300 21 W CB 0.554 30.123 29.460 0.183 0.000 1.351 21 W HN 0.267 nan 8.180 nan 0.000 0.530 22 Q N 2.124 122.054 119.800 0.216 0.000 2.379 22 Q HA 0.682 5.023 4.340 0.001 0.000 0.278 22 Q C -0.507 175.560 176.000 0.111 0.000 1.068 22 Q CA -1.036 54.838 55.803 0.118 0.000 0.816 22 Q CB 2.432 31.190 28.738 0.034 0.000 1.387 22 Q HN 0.537 nan 8.270 nan 0.000 0.413 23 A N 1.015 123.884 122.820 0.082 0.000 2.246 23 A HA 0.822 5.143 4.320 0.001 0.000 0.291 23 A C -0.172 177.436 177.584 0.040 0.000 1.103 23 A CA -0.058 52.015 52.037 0.060 0.000 0.844 23 A CB 0.357 19.386 19.000 0.048 0.000 1.136 23 A HN 0.786 nan 8.150 nan 0.000 0.500 24 A N -0.124 122.715 122.820 0.033 0.000 2.520 24 A HA 0.239 4.559 4.320 0.001 0.000 0.235 24 A C 0.680 178.278 177.584 0.024 0.000 1.065 24 A CA 0.318 52.373 52.037 0.030 0.000 0.764 24 A CB -0.134 18.887 19.000 0.035 0.000 1.002 24 A HN 0.772 nan 8.150 nan 0.000 0.502 25 D N 0.836 121.247 120.400 0.019 0.000 2.221 25 D HA -0.122 4.518 4.640 0.001 0.000 0.204 25 D C 1.912 178.221 176.300 0.015 0.000 0.982 25 D CA 2.097 56.105 54.000 0.014 0.000 0.857 25 D CB -0.033 40.773 40.800 0.009 0.000 0.934 25 D HN 0.647 nan 8.370 nan 0.000 0.475 26 S N -0.736 114.976 115.700 0.019 0.000 2.572 26 S HA 0.052 4.522 4.470 0.001 0.000 0.228 26 S C 0.280 174.892 174.600 0.020 0.000 0.963 26 S CA -0.254 57.958 58.200 0.019 0.000 0.939 26 S CB 0.455 63.668 63.200 0.021 0.000 0.804 26 S HN -0.014 nan 8.310 nan 0.000 0.480 27 D N 0.389 120.802 120.400 0.021 0.000 3.046 27 D HA -0.160 4.481 4.640 0.001 0.000 0.210 27 D C 0.485 176.797 176.300 0.020 0.000 1.124 27 D CA 1.182 55.194 54.000 0.019 0.000 0.986 27 D CB -1.739 39.070 40.800 0.015 0.000 1.118 27 D HN 0.754 nan 8.370 nan 0.000 0.416 28 A N 0.423 123.260 122.820 0.028 0.000 2.406 28 A HA 0.554 4.875 4.320 0.001 0.000 0.243 28 A C 1.065 178.668 177.584 0.032 0.000 1.082 28 A CA 1.037 53.096 52.037 0.037 0.000 0.786 28 A CB 0.675 19.706 19.000 0.052 0.000 1.029 28 A HN 0.352 nan 8.150 nan 0.000 0.495 29 T N -1.806 112.771 114.554 0.038 0.000 2.841 29 T HA 0.751 5.101 4.350 0.001 0.000 0.296 29 T C -0.605 174.147 174.700 0.087 0.000 1.166 29 T CA -0.384 61.710 62.100 -0.010 0.000 1.007 29 T CB 1.213 70.046 68.868 -0.058 0.000 1.253 29 T HN 1.488 nan 8.240 nan 0.000 0.511 30 F N -1.275 118.675 119.950 -0.001 0.000 2.629 30 F HA 0.873 5.400 4.527 0.001 0.000 0.316 30 F C -0.592 175.180 175.800 -0.046 0.000 1.081 30 F CA -1.318 56.675 58.000 -0.010 0.000 0.954 30 F CB 1.456 40.453 39.000 -0.005 0.000 1.337 30 F HN 0.785 nan 8.300 nan 0.000 0.474 31 E N 1.147 121.443 120.200 0.160 0.000 2.191 31 E HA 0.598 4.949 4.350 0.001 0.000 0.278 31 E C -1.508 175.000 176.600 -0.153 0.000 0.972 31 E CA -1.008 55.305 56.400 -0.145 0.000 0.804 31 E CB 2.059 31.572 29.700 -0.312 0.000 1.110 31 E HN 0.608 nan 8.360 nan 0.000 0.394 32 V N 4.805 124.575 119.914 -0.240 0.000 2.427 32 V HA 0.373 4.493 4.120 0.001 0.000 0.286 32 V C -0.569 175.367 176.094 -0.264 0.000 1.034 32 V CA -0.500 61.737 62.300 -0.104 0.000 0.893 32 V CB 0.573 32.423 31.823 0.045 0.000 0.982 32 V HN 0.527 nan 8.190 nan 0.000 0.452 33 F N 1.556 121.588 119.950 0.137 0.000 2.507 33 F HA 0.433 4.961 4.527 0.001 0.000 0.327 33 F C 0.443 176.292 175.800 0.083 0.000 1.068 33 F CA -0.924 57.138 58.000 0.103 0.000 0.965 33 F CB 1.181 40.228 39.000 0.078 0.000 1.192 33 F HN 0.416 nan 8.300 nan 0.000 0.476 34 D N 3.977 124.541 120.400 0.275 0.000 2.336 34 D HA 0.151 4.792 4.640 0.001 0.000 0.249 34 D C -1.634 174.724 176.300 0.097 0.000 1.213 34 D CA -2.158 51.928 54.000 0.144 0.000 0.870 34 D CB 1.435 42.291 40.800 0.095 0.000 1.076 34 D HN 0.148 nan 8.370 nan 0.000 0.483 35 P HA -0.112 nan 4.420 nan 0.000 0.222 35 P C 0.805 178.059 177.300 -0.076 0.000 1.147 35 P CA 0.686 63.776 63.100 -0.016 0.000 0.790 35 P CB 0.366 32.018 31.700 -0.079 0.000 0.780 36 A N 0.057 122.830 122.820 -0.079 0.000 1.943 36 A HA 0.008 4.329 4.320 0.001 0.000 0.213 36 A C 1.982 179.462 177.584 -0.173 0.000 1.181 36 A CA 1.882 53.899 52.037 -0.033 0.000 0.653 36 A CB -1.087 17.981 19.000 0.113 0.000 0.833 36 A HN 0.346 nan 8.150 nan 0.000 0.451 37 T N -5.890 108.506 114.554 -0.265 0.000 3.043 37 T HA 0.441 4.792 4.350 0.001 0.000 0.272 37 T C 1.377 175.896 174.700 -0.301 0.000 0.990 37 T CA 1.043 62.907 62.100 -0.393 0.000 0.897 37 T CB 0.519 69.323 68.868 -0.106 0.000 1.111 37 T HN 1.613 nan 8.240 nan 0.000 0.529 38 G N 2.570 111.317 108.800 -0.087 0.000 2.212 38 G HA2 -0.320 3.640 3.960 0.001 0.000 0.266 38 G HA3 -0.320 3.640 3.960 0.001 0.000 0.266 38 G C 0.080 175.109 174.900 0.215 0.000 0.978 38 G CA 0.483 45.712 45.100 0.215 0.000 0.632 38 G HN 1.004 nan 8.290 nan 0.000 0.537 39 E N 0.264 120.581 120.200 0.195 0.000 2.416 39 E HA 0.501 4.851 4.350 0.001 0.000 0.254 39 E C -0.000 176.825 176.600 0.376 0.000 1.241 39 E CA 0.097 56.638 56.400 0.235 0.000 0.969 39 E CB 0.635 30.410 29.700 0.124 0.000 0.999 39 E HN 0.259 nan 8.360 nan 0.000 0.481 40 S N -0.951 114.903 115.700 0.256 0.000 2.457 40 S HA 0.352 4.823 4.470 0.001 0.000 0.289 40 S C 0.608 175.221 174.600 0.022 0.000 1.163 40 S CA -0.237 58.010 58.200 0.077 0.000 1.078 40 S CB 0.613 63.822 63.200 0.015 0.000 0.987 40 S HN 0.551 nan 8.310 nan 0.000 0.482 41 L N 3.405 124.631 121.223 0.006 0.000 2.509 41 L HA 0.650 4.991 4.340 0.001 0.000 0.222 41 L C 1.337 178.243 176.870 0.061 0.000 1.123 41 L CA 1.010 55.868 54.840 0.031 0.000 0.856 41 L CB -1.800 40.327 42.059 0.114 0.000 0.985 41 L HN 1.149 nan 8.230 nan 0.000 0.456 42 G N -1.568 107.281 108.800 0.082 0.000 2.293 42 G HA2 0.446 4.407 3.960 0.001 0.000 0.282 42 G HA3 0.446 4.407 3.960 0.001 0.000 0.282 42 G C -0.178 174.796 174.900 0.124 0.000 1.299 42 G CA 0.519 45.708 45.100 0.148 0.000 1.018 42 G HN 1.571 nan 8.290 nan 0.000 0.478 43 T N -2.417 112.242 114.554 0.175 0.000 2.907 43 T HA 0.909 5.259 4.350 0.001 0.000 0.292 43 T C -0.169 174.561 174.700 0.050 0.000 1.043 43 T CA 0.068 62.170 62.100 0.002 0.000 1.003 43 T CB 1.694 70.513 68.868 -0.081 0.000 1.084 43 T HN 2.118 nan 8.240 nan 0.000 0.483 44 V N -1.623 118.097 119.914 -0.325 0.000 3.102 44 V HA 0.779 4.900 4.120 0.001 0.000 0.312 44 V C -3.080 172.773 176.094 -0.402 0.000 1.135 44 V CA -3.251 58.840 62.300 -0.348 0.000 1.022 44 V CB 1.333 32.836 31.823 -0.534 0.000 1.056 44 V HN 0.740 nan 8.190 nan 0.000 0.436 45 P HA 0.176 nan 4.420 nan 0.000 0.268 45 P C -0.811 176.470 177.300 -0.031 0.000 1.205 45 P CA -0.007 63.047 63.100 -0.076 0.000 0.771 45 P CB 0.382 32.086 31.700 0.007 0.000 0.858 46 K N 4.466 124.913 120.400 0.078 0.000 2.403 46 K HA 0.244 4.565 4.320 0.001 0.000 0.235 46 K C 0.070 176.749 176.600 0.131 0.000 1.142 46 K CA -0.155 56.271 56.287 0.232 0.000 1.114 46 K CB -0.316 32.350 32.500 0.277 0.000 1.777 46 K HN 0.451 nan 8.250 nan 0.000 0.424 47 M N 0.051 119.717 119.600 0.111 0.000 2.114 47 M HA 0.392 4.873 4.480 0.001 0.000 0.280 47 M C 0.926 177.259 176.300 0.056 0.000 1.209 47 M CA -0.374 54.965 55.300 0.066 0.000 1.044 47 M CB 0.858 33.487 32.600 0.048 0.000 1.404 47 M HN 0.520 nan 8.290 nan 0.000 0.499 48 G N -0.995 107.824 108.800 0.033 0.000 2.933 48 G HA2 0.546 4.507 3.960 0.001 0.000 0.203 48 G HA3 0.546 4.507 3.960 0.001 0.000 0.203 48 G C 0.301 175.206 174.900 0.009 0.000 1.170 48 G CA 0.085 45.198 45.100 0.021 0.000 0.880 48 G HN 0.707 nan 8.290 nan 0.000 0.573 49 A N -0.106 122.716 122.820 0.003 0.000 1.859 49 A HA 0.166 4.486 4.320 0.001 0.000 0.217 49 A C 2.773 180.353 177.584 -0.006 0.000 1.198 49 A CA 3.585 55.620 52.037 -0.004 0.000 0.629 49 A CB -1.269 17.728 19.000 -0.005 0.000 0.830 49 A HN 1.690 nan 8.150 nan 0.000 0.446 50 A N -0.578 122.240 122.820 -0.004 0.000 1.940 50 A HA -0.155 4.166 4.320 0.001 0.000 0.219 50 A C 1.867 179.444 177.584 -0.013 0.000 1.176 50 A CA 2.060 54.093 52.037 -0.008 0.000 0.631 50 A CB -0.525 18.473 19.000 -0.004 0.000 0.814 50 A HN 0.578 nan 8.150 nan 0.000 0.446 51 E N -0.671 119.523 120.200 -0.010 0.000 2.107 51 E HA -0.062 4.289 4.350 0.001 0.000 0.191 51 E C 2.034 178.617 176.600 -0.027 0.000 0.982 51 E CA 1.565 57.955 56.400 -0.017 0.000 0.809 51 E CB -0.475 29.221 29.700 -0.007 0.000 0.756 51 E HN 0.567 nan 8.360 nan 0.000 0.459 52 T N 0.484 115.026 114.554 -0.019 0.000 2.821 52 T HA -0.098 4.252 4.350 0.001 0.000 0.267 52 T C 1.968 176.649 174.700 -0.032 0.000 1.046 52 T CA 1.120 63.205 62.100 -0.025 0.000 1.139 52 T CB -0.296 68.562 68.868 -0.015 0.000 0.871 52 T HN 0.272 nan 8.240 nan 0.000 0.454 53 A N 1.992 124.796 122.820 -0.026 0.000 1.902 53 A HA -0.125 4.195 4.320 0.001 0.000 0.217 53 A C 2.399 179.963 177.584 -0.033 0.000 1.181 53 A CA 1.301 53.322 52.037 -0.026 0.000 0.623 53 A CB -0.443 18.545 19.000 -0.019 0.000 0.818 53 A HN 0.388 nan 8.150 nan 0.000 0.443 54 R N -0.693 119.785 120.500 -0.037 0.000 2.090 54 R HA -0.005 4.336 4.340 0.001 0.000 0.228 54 R C 2.500 178.761 176.300 -0.065 0.000 1.110 54 R CA 1.003 57.075 56.100 -0.047 0.000 0.973 54 R CB -0.463 29.808 30.300 -0.048 0.000 0.869 54 R HN 0.511 nan 8.270 nan 0.000 0.440 55 A N 1.477 124.253 122.820 -0.073 0.000 1.908 55 A HA -0.177 4.143 4.320 0.001 0.000 0.218 55 A C 2.138 179.673 177.584 -0.082 0.000 1.181 55 A CA 1.354 53.336 52.037 -0.093 0.000 0.627 55 A CB -0.479 18.471 19.000 -0.085 0.000 0.818 55 A HN 0.183 nan 8.150 nan 0.000 0.445 56 I N -1.021 119.512 120.570 -0.061 0.000 2.286 56 I HA -0.216 3.954 4.170 0.001 0.000 0.245 56 I C 2.506 178.596 176.117 -0.046 0.000 1.104 56 I CA 1.550 62.817 61.300 -0.056 0.000 1.397 56 I CB -0.322 37.651 38.000 -0.045 0.000 1.072 56 I HN 0.373 nan 8.210 nan 0.000 0.417 57 E N 0.777 120.955 120.200 -0.037 0.000 2.110 57 E HA -0.197 4.153 4.350 0.001 0.000 0.193 57 E C 2.277 178.864 176.600 -0.023 0.000 0.988 57 E CA 1.307 57.694 56.400 -0.022 0.000 0.804 57 E CB -0.158 29.531 29.700 -0.018 0.000 0.745 57 E HN 0.495 nan 8.360 nan 0.000 0.458 58 A N 1.250 124.041 122.820 -0.048 0.000 1.877 58 A HA -0.160 4.160 4.320 0.001 0.000 0.216 58 A C 2.399 179.954 177.584 -0.049 0.000 1.186 58 A CA 1.758 53.759 52.037 -0.060 0.000 0.620 58 A CB -0.899 18.039 19.000 -0.104 0.000 0.822 58 A HN 0.315 nan 8.150 nan 0.000 0.443 59 A N -0.760 122.021 122.820 -0.065 0.000 1.892 59 A HA -0.310 4.010 4.320 0.001 0.000 0.218 59 A C 2.222 179.814 177.584 0.014 0.000 1.188 59 A CA 2.168 54.169 52.037 -0.061 0.000 0.631 59 A CB -0.730 18.212 19.000 -0.096 0.000 0.822 59 A HN 0.675 nan 8.150 nan 0.000 0.447 60 Q N -0.870 118.948 119.800 0.029 0.000 2.084 60 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 60 Q C 2.183 178.281 176.000 0.163 0.000 0.978 60 Q CA 1.632 57.506 55.803 0.118 0.000 0.844 60 Q CB -0.368 28.420 28.738 0.084 0.000 0.898 60 Q HN 0.631 nan 8.270 nan 0.000 0.426 61 A N 0.402 123.274 122.820 0.087 0.000 1.933 61 A HA -0.103 4.217 4.320 0.001 0.000 0.218 61 A C 2.160 179.799 177.584 0.093 0.000 1.175 61 A CA 1.625 53.705 52.037 0.072 0.000 0.628 61 A CB -0.781 18.236 19.000 0.028 0.000 0.814 61 A HN 0.529 nan 8.150 nan 0.000 0.444 62 A N -2.305 120.573 122.820 0.097 0.000 2.119 62 A HA 0.041 4.361 4.320 0.001 0.000 0.216 62 A C 1.763 179.497 177.584 0.250 0.000 1.152 62 A CA 1.056 53.162 52.037 0.115 0.000 0.708 62 A CB -0.608 18.410 19.000 0.030 0.000 0.805 62 A HN 0.775 nan 8.150 nan 0.000 0.460 63 W N 1.125 122.464 121.300 0.064 0.000 2.354 63 W HA -0.135 4.526 4.660 0.001 0.000 0.315 63 W C 2.408 179.003 176.519 0.127 0.000 1.206 63 W CA 1.516 58.931 57.345 0.116 0.000 1.290 63 W CB -0.802 28.707 29.460 0.082 0.000 1.152 63 W HN 0.353 nan 8.180 nan 0.000 0.489 64 A N 0.734 123.564 122.820 0.016 0.000 1.903 64 A HA -0.197 4.123 4.320 0.001 0.000 0.219 64 A C 2.311 179.864 177.584 -0.052 0.000 1.191 64 A CA 2.885 54.834 52.037 -0.146 0.000 0.638 64 A CB -1.659 17.289 19.000 -0.086 0.000 0.823 64 A HN 0.431 nan 8.150 nan 0.000 0.451 65 G N -2.043 106.792 108.800 0.059 0.000 2.402 65 G HA2 -0.264 3.697 3.960 0.001 0.000 0.216 65 G HA3 -0.264 3.697 3.960 0.001 0.000 0.216 65 G C 1.554 176.544 174.900 0.151 0.000 1.162 65 G CA 0.870 46.022 45.100 0.088 0.000 0.777 65 G HN 0.704 nan 8.290 nan 0.000 0.539 66 W N 2.671 123.998 121.300 0.045 0.000 2.379 66 W HA -0.131 4.530 4.660 0.001 0.000 0.307 66 W C 2.760 179.321 176.519 0.069 0.000 1.200 66 W CA 1.467 58.857 57.345 0.076 0.000 1.297 66 W CB 0.025 29.565 29.460 0.133 0.000 1.140 66 W HN 0.328 nan 8.180 nan 0.000 0.507 67 R N 0.240 120.774 120.500 0.056 0.000 2.189 67 R HA -0.150 4.190 4.340 0.001 0.000 0.223 67 R C 2.121 178.320 176.300 -0.168 0.000 1.092 67 R CA 1.622 57.661 56.100 -0.101 0.000 0.989 67 R CB -1.008 29.208 30.300 -0.140 0.000 0.876 67 R HN 0.219 nan 8.270 nan 0.000 0.457 68 M N 0.936 120.452 119.600 -0.140 0.000 2.558 68 M HA 0.092 4.573 4.480 0.001 0.000 0.255 68 M C -0.154 176.070 176.300 -0.127 0.000 1.113 68 M CA 0.634 55.861 55.300 -0.122 0.000 1.097 68 M CB 0.359 32.905 32.600 -0.091 0.000 1.426 68 M HN 0.037 nan 8.290 nan 0.000 0.488 69 K N 1.532 121.826 120.400 -0.176 0.000 2.355 69 K HA 0.049 4.369 4.320 0.001 0.000 0.270 69 K C 0.481 176.956 176.600 -0.209 0.000 1.003 69 K CA 0.062 56.228 56.287 -0.201 0.000 0.957 69 K CB 0.493 32.812 32.500 -0.302 0.000 0.939 69 K HN 0.238 nan 8.250 nan 0.000 0.482 70 T N -1.048 113.414 114.554 -0.154 0.000 2.860 70 T HA 0.151 4.501 4.350 0.001 0.000 0.299 70 T C 1.409 176.014 174.700 -0.158 0.000 1.045 70 T CA -0.252 61.770 62.100 -0.130 0.000 1.071 70 T CB 1.308 70.124 68.868 -0.086 0.000 0.985 70 T HN 0.574 nan 8.240 nan 0.000 0.537 71 A N 1.309 124.055 122.820 -0.123 0.000 1.917 71 A HA -0.138 4.183 4.320 0.001 0.000 0.219 71 A C 2.396 179.926 177.584 -0.090 0.000 1.182 71 A CA 2.110 54.082 52.037 -0.109 0.000 0.633 71 A CB -0.975 17.983 19.000 -0.070 0.000 0.819 71 A HN 0.978 nan 8.150 nan 0.000 0.448 72 K N -0.447 119.909 120.400 -0.073 0.000 2.057 72 K HA -0.176 4.145 4.320 0.001 0.000 0.207 72 K C 2.001 178.573 176.600 -0.047 0.000 1.049 72 K CA 1.681 57.937 56.287 -0.051 0.000 0.931 72 K CB -0.166 32.308 32.500 -0.044 0.000 0.714 72 K HN 0.657 nan 8.250 nan 0.000 0.440 73 E N -0.118 120.040 120.200 -0.070 0.000 2.110 73 E HA -0.179 4.172 4.350 0.001 0.000 0.193 73 E C 2.123 178.680 176.600 -0.072 0.000 0.988 73 E CA 0.982 57.344 56.400 -0.063 0.000 0.804 73 E CB 0.047 29.697 29.700 -0.083 0.000 0.745 73 E HN 0.258 nan 8.360 nan 0.000 0.458 74 R N 0.467 120.865 120.500 -0.169 0.000 2.092 74 R HA -0.062 4.278 4.340 0.001 0.000 0.231 74 R C 2.410 178.740 176.300 0.049 0.000 1.119 74 R CA 0.955 56.946 56.100 -0.182 0.000 0.970 74 R CB -0.314 29.738 30.300 -0.414 0.000 0.864 74 R HN 0.095 nan 8.270 nan 0.000 0.440 75 A N 1.763 124.595 122.820 0.020 0.000 1.883 75 A HA -0.177 4.144 4.320 0.001 0.000 0.217 75 A C 2.457 180.097 177.584 0.093 0.000 1.186 75 A CA 1.818 53.890 52.037 0.058 0.000 0.624 75 A CB -0.767 18.238 19.000 0.007 0.000 0.822 75 A HN 0.388 nan 8.150 nan 0.000 0.444 76 A N 0.037 122.900 122.820 0.071 0.000 1.896 76 A HA -0.231 4.090 4.320 0.001 0.000 0.220 76 A C 2.159 179.829 177.584 0.144 0.000 1.206 76 A CA 1.976 54.067 52.037 0.090 0.000 0.647 76 A CB -0.771 18.268 19.000 0.064 0.000 0.828 76 A HN 0.550 nan 8.150 nan 0.000 0.455 77 I N -0.742 119.933 120.570 0.176 0.000 2.202 77 I HA -0.234 3.936 4.170 0.001 0.000 0.242 77 I C 2.408 178.701 176.117 0.294 0.000 1.091 77 I CA 1.144 62.578 61.300 0.224 0.000 1.368 77 I CB -0.389 37.777 38.000 0.277 0.000 1.058 77 I HN 0.281 nan 8.210 nan 0.000 0.410 78 L N 0.329 121.754 121.223 0.338 0.000 2.079 78 L HA -0.226 4.114 4.340 0.001 0.000 0.210 78 L C 2.739 179.847 176.870 0.398 0.000 1.081 78 L CA 1.430 56.533 54.840 0.439 0.000 0.752 78 L CB -0.558 41.731 42.059 0.383 0.000 0.896 78 L HN 0.202 nan 8.230 nan 0.000 0.433 79 R N -0.048 120.619 120.500 0.278 0.000 2.115 79 R HA -0.097 4.243 4.340 0.001 0.000 0.230 79 R C 2.446 178.942 176.300 0.328 0.000 1.111 79 R CA 0.947 57.211 56.100 0.273 0.000 0.976 79 R CB 0.004 30.401 30.300 0.162 0.000 0.870 79 R HN 0.252 nan 8.270 nan 0.000 0.445 80 R N -0.870 119.794 120.500 0.273 0.000 2.092 80 R HA -0.170 4.170 4.340 0.001 0.000 0.231 80 R C 1.828 178.301 176.300 0.288 0.000 1.119 80 R CA 1.449 57.688 56.100 0.230 0.000 0.970 80 R CB -0.371 30.035 30.300 0.176 0.000 0.864 80 R HN 0.335 nan 8.270 nan 0.000 0.440 81 W N 1.067 122.444 121.300 0.128 0.000 2.388 81 W HA -0.186 4.474 4.660 0.001 0.000 0.294 81 W C 1.767 178.373 176.519 0.145 0.000 1.212 81 W CA 0.619 58.031 57.345 0.111 0.000 1.271 81 W CB -0.653 28.877 29.460 0.116 0.000 1.126 81 W HN -0.017 nan 8.180 nan 0.000 0.535 82 F N 1.996 121.973 119.950 0.045 0.000 2.046 82 F HA -0.243 4.285 4.527 0.001 0.000 0.297 82 F C 2.147 177.929 175.800 -0.030 0.000 1.123 82 F CA 2.650 60.598 58.000 -0.087 0.000 1.199 82 F CB -0.928 38.061 39.000 -0.017 0.000 0.972 82 F HN -0.269 nan 8.300 nan 0.000 0.474 83 D N 0.825 121.128 120.400 -0.163 0.000 2.133 83 D HA -0.213 4.428 4.640 0.001 0.000 0.195 83 D C 2.476 178.680 176.300 -0.159 0.000 0.997 83 D CA 1.748 55.608 54.000 -0.235 0.000 0.840 83 D CB -0.645 40.158 40.800 0.004 0.000 0.947 83 D HN 0.370 nan 8.370 nan 0.000 0.452 84 L N 0.264 121.471 121.223 -0.026 0.000 2.141 84 L HA -0.131 4.209 4.340 0.001 0.000 0.209 84 L C 2.477 179.337 176.870 -0.016 0.000 1.094 84 L CA 0.424 55.276 54.840 0.020 0.000 0.763 84 L CB -0.047 42.084 42.059 0.119 0.000 0.908 84 L HN -0.058 nan 8.230 nan 0.000 0.437 85 V N -0.329 119.529 119.914 -0.093 0.000 2.379 85 V HA -0.257 3.863 4.120 0.001 0.000 0.245 85 V C 2.357 178.354 176.094 -0.162 0.000 1.044 85 V CA 1.211 63.435 62.300 -0.127 0.000 1.036 85 V CB -0.236 31.442 31.823 -0.243 0.000 0.664 85 V HN 0.263 nan 8.190 nan 0.000 0.453 86 I N 0.762 121.153 120.570 -0.297 0.000 2.142 86 I HA -0.220 3.951 4.170 0.001 0.000 0.240 86 I C 2.771 178.802 176.117 -0.144 0.000 1.078 86 I CA 1.993 63.127 61.300 -0.275 0.000 1.343 86 I CB -1.577 36.143 38.000 -0.467 0.000 1.046 86 I HN 0.314 nan 8.210 nan 0.000 0.405 87 A N 0.776 123.523 122.820 -0.122 0.000 1.948 87 A HA -0.200 4.120 4.320 0.001 0.000 0.220 87 A C 1.757 179.325 177.584 -0.028 0.000 1.177 87 A CA 1.724 53.726 52.037 -0.058 0.000 0.636 87 A CB -0.729 18.248 19.000 -0.037 0.000 0.815 87 A HN 0.556 nan 8.150 nan 0.000 0.449 88 N N -0.349 118.340 118.700 -0.019 0.000 2.320 88 N HA 0.057 4.797 4.740 0.001 0.000 0.237 88 N C 1.164 176.677 175.510 0.006 0.000 1.129 88 N CA 0.582 53.637 53.050 0.009 0.000 0.854 88 N CB 0.482 38.994 38.487 0.043 0.000 1.083 88 N HN 0.493 nan 8.380 nan 0.000 0.504 89 S N 1.850 117.543 115.700 -0.012 0.000 2.359 89 S HA -0.186 4.284 4.470 0.001 0.000 0.223 89 S C 1.371 175.977 174.600 0.009 0.000 1.039 89 S CA 1.472 59.669 58.200 -0.005 0.000 1.042 89 S CB 0.031 63.222 63.200 -0.015 0.000 0.915 89 S HN 0.214 nan 8.310 nan 0.000 0.439 90 D N 1.461 121.864 120.400 0.006 0.000 2.092 90 D HA -0.099 4.541 4.640 0.001 0.000 0.193 90 D C 1.814 178.119 176.300 0.009 0.000 0.994 90 D CA 1.508 55.513 54.000 0.008 0.000 0.828 90 D CB -0.719 40.083 40.800 0.004 0.000 0.963 90 D HN 0.503 nan 8.370 nan 0.000 0.450 91 D N 0.391 120.796 120.400 0.008 0.000 2.097 91 D HA -0.099 4.541 4.640 0.001 0.000 0.195 91 D C 2.466 178.773 176.300 0.011 0.000 0.989 91 D CA 0.399 54.401 54.000 0.003 0.000 0.827 91 D CB -0.401 40.401 40.800 0.003 0.000 0.966 91 D HN 0.226 nan 8.370 nan 0.000 0.456 92 L N 0.906 122.145 121.223 0.027 0.000 2.042 92 L HA -0.204 4.137 4.340 0.001 0.000 0.210 92 L C 2.615 179.510 176.870 0.042 0.000 1.076 92 L CA 1.237 56.103 54.840 0.043 0.000 0.749 92 L CB -0.457 41.633 42.059 0.053 0.000 0.893 92 L HN -0.011 nan 8.230 nan 0.000 0.432 93 A N -0.391 122.449 122.820 0.034 0.000 1.902 93 A HA -0.180 4.140 4.320 0.001 0.000 0.217 93 A C 2.232 179.832 177.584 0.026 0.000 1.181 93 A CA 1.224 53.281 52.037 0.034 0.000 0.623 93 A CB -0.558 18.460 19.000 0.030 0.000 0.818 93 A HN 0.278 nan 8.150 nan 0.000 0.443 94 L N 0.161 121.393 121.223 0.015 0.000 1.994 94 L HA -0.128 4.213 4.340 0.001 0.000 0.208 94 L C 2.406 179.278 176.870 0.003 0.000 1.071 94 L CA 1.907 56.750 54.840 0.005 0.000 0.745 94 L CB -1.160 40.894 42.059 -0.009 0.000 0.892 94 L HN 0.459 nan 8.230 nan 0.000 0.431 95 I N -0.708 119.861 120.570 -0.001 0.000 2.194 95 I HA -0.375 3.795 4.170 0.001 0.000 0.246 95 I C 2.596 178.745 176.117 0.052 0.000 1.093 95 I CA 1.221 62.520 61.300 -0.001 0.000 1.355 95 I CB -0.277 37.723 38.000 0.000 0.000 1.046 95 I HN 0.268 nan 8.210 nan 0.000 0.413 96 L N -0.033 121.227 121.223 0.060 0.000 2.005 96 L HA -0.225 4.115 4.340 0.001 0.000 0.207 96 L C 2.665 179.570 176.870 0.058 0.000 1.072 96 L CA 1.790 56.674 54.840 0.073 0.000 0.744 96 L CB -0.407 41.690 42.059 0.063 0.000 0.895 96 L HN 0.207 nan 8.230 nan 0.000 0.433 97 T N -0.808 113.770 114.554 0.040 0.000 2.665 97 T HA -0.229 4.122 4.350 0.001 0.000 0.268 97 T C 1.709 176.432 174.700 0.038 0.000 1.035 97 T CA 2.102 64.221 62.100 0.032 0.000 1.151 97 T CB -0.432 68.453 68.868 0.028 0.000 0.862 97 T HN 0.469 nan 8.240 nan 0.000 0.438 98 T N 2.243 116.819 114.554 0.037 0.000 2.665 98 T HA -0.181 4.170 4.350 0.001 0.000 0.268 98 T C 2.009 176.750 174.700 0.068 0.000 1.035 98 T CA 1.835 63.958 62.100 0.038 0.000 1.151 98 T CB -0.342 68.532 68.868 0.010 0.000 0.862 98 T HN 0.791 nan 8.240 nan 0.000 0.438 99 E N 0.134 120.397 120.200 0.105 0.000 2.250 99 E HA 0.004 4.355 4.350 0.001 0.000 0.192 99 E C 2.273 178.931 176.600 0.096 0.000 0.986 99 E CA 0.416 56.904 56.400 0.147 0.000 0.849 99 E CB -0.071 29.781 29.700 0.253 0.000 0.797 99 E HN 0.262 nan 8.360 nan 0.000 0.482 100 Q N 0.143 119.990 119.800 0.078 0.000 2.394 100 Q HA 0.079 4.419 4.340 0.001 0.000 0.218 100 Q C 1.302 177.315 176.000 0.022 0.000 0.907 100 Q CA 1.436 57.281 55.803 0.069 0.000 0.919 100 Q CB 1.084 29.877 28.738 0.091 0.000 1.051 100 Q HN 0.472 nan 8.270 nan 0.000 0.538 101 G N 1.562 110.366 108.800 0.007 0.000 2.339 101 G HA2 -0.259 3.702 3.960 0.001 0.000 0.209 101 G HA3 -0.259 3.702 3.960 0.001 0.000 0.209 101 G C 0.017 174.913 174.900 -0.007 0.000 1.015 101 G CA 0.112 45.195 45.100 -0.029 0.000 0.635 101 G HN 0.410 nan 8.290 nan 0.000 0.499 102 K N 2.293 122.693 120.400 -0.001 0.000 2.469 102 K HA 0.421 4.742 4.320 0.001 0.000 0.274 102 K C -2.249 174.362 176.600 0.019 0.000 0.983 102 K CA -0.717 55.571 56.287 0.000 0.000 0.974 102 K CB 0.544 33.020 32.500 -0.041 0.000 0.913 102 K HN 0.205 nan 8.250 nan 0.000 0.493 103 P HA -0.102 nan 4.420 nan 0.000 0.269 103 P C 0.758 178.076 177.300 0.029 0.000 1.217 103 P CA -0.025 63.097 63.100 0.037 0.000 0.783 103 P CB 0.498 32.222 31.700 0.040 0.000 0.898 104 L N 1.269 122.509 121.223 0.029 0.000 2.079 104 L HA -0.256 4.084 4.340 0.001 0.000 0.210 104 L C 2.542 179.430 176.870 0.029 0.000 1.081 104 L CA 2.119 56.975 54.840 0.026 0.000 0.752 104 L CB -0.873 41.200 42.059 0.022 0.000 0.896 104 L HN 0.418 nan 8.230 nan 0.000 0.433 105 A N -0.453 122.385 122.820 0.030 0.000 1.902 105 A HA -0.237 4.084 4.320 0.001 0.000 0.217 105 A C 2.148 179.757 177.584 0.041 0.000 1.181 105 A CA 1.732 53.788 52.037 0.033 0.000 0.623 105 A CB -0.405 18.613 19.000 0.030 0.000 0.818 105 A HN 0.451 nan 8.150 nan 0.000 0.443 106 E N -0.562 119.661 120.200 0.039 0.000 2.208 106 E HA 0.002 4.353 4.350 0.001 0.000 0.193 106 E C 2.249 178.875 176.600 0.044 0.000 0.988 106 E CA 0.638 57.064 56.400 0.044 0.000 0.828 106 E CB -0.182 29.535 29.700 0.029 0.000 0.763 106 E HN 0.626 nan 8.360 nan 0.000 0.478 107 A N 1.603 124.443 122.820 0.034 0.000 1.873 107 A HA -0.184 4.137 4.320 0.001 0.000 0.215 107 A C 1.933 179.554 177.584 0.062 0.000 1.186 107 A CA 1.281 53.342 52.037 0.039 0.000 0.616 107 A CB -0.205 18.814 19.000 0.031 0.000 0.823 107 A HN 0.016 nan 8.150 nan 0.000 0.442 108 K N -0.601 119.832 120.400 0.054 0.000 2.147 108 K HA -0.082 4.239 4.320 0.001 0.000 0.205 108 K C 2.045 178.692 176.600 0.077 0.000 1.049 108 K CA 0.939 57.260 56.287 0.056 0.000 0.936 108 K CB -0.397 32.127 32.500 0.040 0.000 0.722 108 K HN 0.477 nan 8.250 nan 0.000 0.446 109 G N 1.283 110.134 108.800 0.085 0.000 2.440 109 G HA2 -0.308 3.653 3.960 0.001 0.000 0.218 109 G HA3 -0.308 3.653 3.960 0.001 0.000 0.218 109 G C 1.359 176.366 174.900 0.179 0.000 1.154 109 G CA 0.849 46.012 45.100 0.105 0.000 0.767 109 G HN 0.394 nan 8.290 nan 0.000 0.552 110 E N -0.151 120.177 120.200 0.213 0.000 2.072 110 E HA -0.076 4.274 4.350 0.001 0.000 0.190 110 E C 2.479 179.248 176.600 0.280 0.000 0.982 110 E CA 0.377 56.983 56.400 0.344 0.000 0.803 110 E CB -0.040 29.851 29.700 0.317 0.000 0.755 110 E HN 0.285 nan 8.360 nan 0.000 0.453 111 I N 1.611 122.282 120.570 0.168 0.000 2.179 111 I HA -0.236 3.935 4.170 0.001 0.000 0.242 111 I C 2.612 178.791 176.117 0.104 0.000 1.088 111 I CA 1.406 62.771 61.300 0.109 0.000 1.357 111 I CB -1.732 36.305 38.000 0.061 0.000 1.051 111 I HN 0.159 nan 8.210 nan 0.000 0.409 112 A N 0.235 123.125 122.820 0.116 0.000 1.892 112 A HA -0.302 4.018 4.320 0.001 0.000 0.218 112 A C 2.399 180.089 177.584 0.176 0.000 1.188 112 A CA 1.949 54.056 52.037 0.117 0.000 0.631 112 A CB -1.230 17.831 19.000 0.103 0.000 0.822 112 A HN 0.488 nan 8.150 nan 0.000 0.447 113 Y N 0.599 120.940 120.300 0.069 0.000 2.163 113 Y HA -0.038 4.513 4.550 0.001 0.000 0.288 113 Y C 2.675 178.660 175.900 0.141 0.000 1.136 113 Y CA 1.047 59.180 58.100 0.056 0.000 1.147 113 Y CB -0.879 37.643 38.460 0.104 0.000 0.987 113 Y HN 0.307 nan 8.280 nan 0.000 0.509 114 A N 0.762 123.661 122.820 0.132 0.000 1.883 114 A HA -0.153 4.167 4.320 0.001 0.000 0.217 114 A C 2.504 180.133 177.584 0.076 0.000 1.186 114 A CA 2.340 54.424 52.037 0.079 0.000 0.624 114 A CB -1.588 17.447 19.000 0.059 0.000 0.822 114 A HN 0.624 nan 8.150 nan 0.000 0.444 115 A N 0.387 123.252 122.820 0.075 0.000 1.883 115 A HA -0.156 4.165 4.320 0.001 0.000 0.217 115 A C 2.534 180.288 177.584 0.282 0.000 1.186 115 A CA 2.691 54.832 52.037 0.174 0.000 0.624 115 A CB -1.177 17.900 19.000 0.128 0.000 0.822 115 A HN 1.159 nan 8.150 nan 0.000 0.444 116 S N -1.149 114.631 115.700 0.133 0.000 2.419 116 S HA -0.145 4.325 4.470 0.001 0.000 0.233 116 S C 1.675 176.169 174.600 -0.176 0.000 1.016 116 S CA 1.461 59.631 58.200 -0.049 0.000 0.974 116 S CB -0.752 62.368 63.200 -0.133 0.000 0.786 116 S HN 0.353 nan 8.310 nan 0.000 0.492 117 F N 1.833 121.738 119.950 -0.074 0.000 2.113 117 F HA 0.171 4.699 4.527 0.001 0.000 0.297 117 F C 2.254 178.121 175.800 0.111 0.000 1.103 117 F CA 0.653 58.638 58.000 -0.025 0.000 1.248 117 F CB -0.602 38.370 39.000 -0.047 0.000 0.999 117 F HN 0.167 nan 8.300 nan 0.000 0.475 118 I N -0.134 120.569 120.570 0.222 0.000 2.163 118 I HA -0.318 3.853 4.170 0.001 0.000 0.243 118 I C 2.508 178.680 176.117 0.092 0.000 1.085 118 I CA 1.819 63.204 61.300 0.143 0.000 1.347 118 I CB -0.562 37.387 38.000 -0.086 0.000 1.044 118 I HN 0.205 nan 8.210 nan 0.000 0.408 119 E N 0.753 120.878 120.200 -0.125 0.000 2.077 119 E HA -0.272 4.079 4.350 0.001 0.000 0.193 119 E C 2.195 178.698 176.600 -0.161 0.000 0.989 119 E CA 1.374 57.550 56.400 -0.373 0.000 0.800 119 E CB -0.261 28.906 29.700 -0.888 0.000 0.746 119 E HN 0.604 nan 8.360 nan 0.000 0.452 120 W N 0.406 121.531 121.300 -0.292 0.000 2.335 120 W HA -0.244 4.417 4.660 0.001 0.000 0.311 120 W C 1.471 177.797 176.519 -0.323 0.000 1.213 120 W CA 1.194 58.317 57.345 -0.369 0.000 1.274 120 W CB -0.408 28.722 29.460 -0.551 0.000 1.148 120 W HN 0.128 nan 8.180 nan 0.000 0.498 121 F N 0.949 120.976 119.950 0.129 0.000 2.259 121 F HA -0.017 4.510 4.527 0.001 0.000 0.298 121 F C 2.753 178.539 175.800 -0.023 0.000 1.088 121 F CA 1.627 59.656 58.000 0.048 0.000 1.358 121 F CB -1.498 37.589 39.000 0.146 0.000 1.040 121 F HN -0.117 nan 8.300 nan 0.000 0.505 122 A N 0.487 123.394 122.820 0.145 0.000 1.884 122 A HA -0.289 4.031 4.320 0.001 0.000 0.219 122 A C 2.149 179.708 177.584 -0.042 0.000 1.197 122 A CA 2.317 54.395 52.037 0.068 0.000 0.637 122 A CB -0.952 18.073 19.000 0.041 0.000 0.827 122 A HN 0.468 nan 8.150 nan 0.000 0.450 123 E N -0.846 119.255 120.200 -0.164 0.000 2.077 123 E HA -0.172 4.179 4.350 0.001 0.000 0.193 123 E C 2.064 178.500 176.600 -0.274 0.000 0.989 123 E CA 1.019 57.267 56.400 -0.254 0.000 0.800 123 E CB -0.162 29.306 29.700 -0.387 0.000 0.746 123 E HN 0.523 nan 8.360 nan 0.000 0.452 124 E N 0.353 120.354 120.200 -0.332 0.000 2.110 124 E HA -0.122 4.228 4.350 0.001 0.000 0.193 124 E C 2.241 178.813 176.600 -0.046 0.000 0.988 124 E CA 0.981 57.249 56.400 -0.220 0.000 0.804 124 E CB -0.438 29.187 29.700 -0.125 0.000 0.745 124 E HN 0.365 nan 8.360 nan 0.000 0.458 125 G N 1.676 110.482 108.800 0.009 0.000 2.469 125 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 125 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 125 G C 1.427 176.315 174.900 -0.019 0.000 1.136 125 G CA 0.683 45.797 45.100 0.024 0.000 0.759 125 G HN 0.255 nan 8.290 nan 0.000 0.562 126 K N -0.172 120.197 120.400 -0.052 0.000 2.525 126 K HA 0.119 4.440 4.320 0.001 0.000 0.192 126 K C 1.773 178.336 176.600 -0.061 0.000 1.029 126 K CA 0.243 56.494 56.287 -0.060 0.000 1.029 126 K CB 0.195 32.651 32.500 -0.073 0.000 0.814 126 K HN 0.224 nan 8.250 nan 0.000 0.503 127 R N 0.038 120.503 120.500 -0.058 0.000 2.521 127 R HA 0.121 4.461 4.340 0.001 0.000 0.289 127 R C -0.263 176.021 176.300 -0.027 0.000 0.936 127 R CA -0.156 55.909 56.100 -0.059 0.000 1.089 127 R CB 1.012 31.253 30.300 -0.099 0.000 1.348 127 R HN -0.126 nan 8.270 nan 0.000 0.536 128 V N 2.272 122.188 119.914 0.003 0.000 2.475 128 V HA 0.148 4.268 4.120 0.001 0.000 0.292 128 V C 0.374 176.477 176.094 0.016 0.000 1.003 128 V CA 0.231 62.550 62.300 0.032 0.000 1.120 128 V CB 0.464 32.321 31.823 0.056 0.000 0.937 128 V HN 0.234 nan 8.190 nan 0.000 0.476 129 A N 4.437 127.266 122.820 0.015 0.000 2.435 129 A HA 0.917 5.237 4.320 0.001 0.000 0.304 129 A C 0.241 177.833 177.584 0.015 0.000 1.064 129 A CA -0.009 52.030 52.037 0.004 0.000 0.727 129 A CB 1.830 20.820 19.000 -0.017 0.000 1.284 129 A HN 0.940 nan 8.150 nan 0.000 0.415 130 G N -0.181 108.629 108.800 0.015 0.000 2.702 130 G HA2 0.607 4.567 3.960 0.001 0.000 0.254 130 G HA3 0.607 4.567 3.960 0.001 0.000 0.254 130 G C -1.088 173.821 174.900 0.015 0.000 1.380 130 G CA -0.426 44.687 45.100 0.023 0.000 1.042 130 G HN 0.680 nan 8.290 nan 0.000 0.557 131 D N -1.349 119.064 120.400 0.022 0.000 2.490 131 D HA 0.575 5.216 4.640 0.001 0.000 0.232 131 D C -0.495 175.819 176.300 0.023 0.000 1.053 131 D CA -0.353 53.657 54.000 0.016 0.000 0.914 131 D CB 2.092 42.900 40.800 0.013 0.000 1.431 131 D HN 0.511 nan 8.370 nan 0.000 0.483 132 T N -0.823 113.741 114.554 0.016 0.000 2.840 132 T HA 0.692 5.043 4.350 0.001 0.000 0.287 132 T C -0.717 173.992 174.700 0.016 0.000 0.991 132 T CA -0.798 61.315 62.100 0.023 0.000 0.964 132 T CB 0.237 69.117 68.868 0.019 0.000 0.954 132 T HN 0.207 nan 8.240 nan 0.000 0.438 133 L N 3.264 124.499 121.223 0.020 0.000 2.322 133 L HA 0.640 4.980 4.340 0.001 0.000 0.269 133 L C -2.292 174.585 176.870 0.012 0.000 1.012 133 L CA -2.743 52.102 54.840 0.008 0.000 0.815 133 L CB 1.631 43.686 42.059 -0.007 0.000 1.295 133 L HN 0.438 nan 8.230 nan 0.000 0.438 134 P HA 0.076 nan 4.420 nan 0.000 0.276 134 P C -0.396 176.910 177.300 0.010 0.000 1.243 134 P CA -0.204 62.901 63.100 0.008 0.000 0.768 134 P CB 0.753 32.455 31.700 0.003 0.000 0.856 135 T N 3.951 118.516 114.554 0.019 0.000 2.919 135 T HA 0.207 4.558 4.350 0.001 0.000 0.302 135 T C -0.996 173.714 174.700 0.018 0.000 1.031 135 T CA -1.270 60.846 62.100 0.026 0.000 1.127 135 T CB -0.006 68.883 68.868 0.035 0.000 0.952 135 T HN 0.328 nan 8.240 nan 0.000 0.540 136 P HA 0.213 nan 4.420 nan 0.000 0.240 136 P C -0.281 177.030 177.300 0.018 0.000 1.190 136 P CA 0.260 63.368 63.100 0.013 0.000 0.781 136 P CB 0.330 32.036 31.700 0.009 0.000 0.931 137 D N -0.261 120.155 120.400 0.025 0.000 2.502 137 D HA 0.406 5.047 4.640 0.001 0.000 0.249 137 D C 0.897 177.210 176.300 0.021 0.000 1.092 137 D CA -0.726 53.288 54.000 0.023 0.000 0.839 137 D CB 2.067 42.884 40.800 0.028 0.000 1.264 137 D HN -0.151 nan 8.370 nan 0.000 0.511 138 A N 4.072 126.901 122.820 0.015 0.000 2.076 138 A HA -0.172 4.148 4.320 0.001 0.000 0.220 138 A C 1.432 179.024 177.584 0.012 0.000 1.160 138 A CA 1.006 53.051 52.037 0.012 0.000 0.653 138 A CB -0.219 18.786 19.000 0.009 0.000 0.801 138 A HN 0.588 nan 8.150 nan 0.000 0.455 139 N N -0.439 118.269 118.700 0.013 0.000 2.336 139 N HA 0.116 4.857 4.740 0.001 0.000 0.189 139 N C -0.157 175.360 175.510 0.013 0.000 1.113 139 N CA 0.510 53.566 53.050 0.011 0.000 0.858 139 N CB 0.300 38.792 38.487 0.009 0.000 0.970 139 N HN 0.522 nan 8.380 nan 0.000 0.471 140 K N -0.097 120.315 120.400 0.020 0.000 2.444 140 K HA 0.509 4.829 4.320 0.001 0.000 0.252 140 K C -0.857 175.764 176.600 0.035 0.000 0.993 140 K CA -0.724 55.579 56.287 0.027 0.000 0.847 140 K CB 1.884 34.408 32.500 0.040 0.000 1.340 140 K HN -0.285 nan 8.250 nan 0.000 0.446 141 R N 1.371 121.895 120.500 0.040 0.000 2.574 141 R HA 0.500 4.840 4.340 0.001 0.000 0.288 141 R C -1.241 175.109 176.300 0.084 0.000 1.004 141 R CA -0.569 55.560 56.100 0.048 0.000 0.895 141 R CB 1.008 31.324 30.300 0.027 0.000 1.191 141 R HN 0.556 nan 8.270 nan 0.000 0.444 142 I N 3.423 124.058 120.570 0.108 0.000 2.312 142 I HA 0.408 4.578 4.170 0.001 0.000 0.290 142 I C -0.469 175.727 176.117 0.131 0.000 1.008 142 I CA -0.928 60.482 61.300 0.184 0.000 1.226 142 I CB 1.493 39.585 38.000 0.153 0.000 1.371 142 I HN 0.069 nan 8.210 nan 0.000 0.468 143 V N 7.307 127.313 119.914 0.152 0.000 2.531 143 V HA 0.418 4.538 4.120 0.001 0.000 0.301 143 V C -0.176 176.000 176.094 0.138 0.000 1.034 143 V CA -0.687 61.674 62.300 0.101 0.000 0.865 143 V CB 2.347 34.202 31.823 0.053 0.000 0.995 143 V HN 0.376 nan 8.190 nan 0.000 0.424 144 V N 5.604 125.579 119.914 0.102 0.000 2.448 144 V HA 0.713 4.833 4.120 0.001 0.000 0.295 144 V C -0.138 175.996 176.094 0.067 0.000 1.025 144 V CA -0.505 61.857 62.300 0.103 0.000 0.859 144 V CB 1.913 33.781 31.823 0.075 0.000 0.988 144 V HN 0.783 nan 8.190 nan 0.000 0.431 145 V N 2.336 122.291 119.914 0.067 0.000 3.074 145 V HA 0.754 4.875 4.120 0.001 0.000 0.314 145 V C -0.746 175.382 176.094 0.057 0.000 1.117 145 V CA -1.036 61.293 62.300 0.049 0.000 1.014 145 V CB 2.305 34.148 31.823 0.035 0.000 1.057 145 V HN 0.772 nan 8.190 nan 0.000 0.438 146 K N 1.545 121.977 120.400 0.052 0.000 2.316 146 K HA 0.699 5.020 4.320 0.001 0.000 0.251 146 K C -1.106 175.537 176.600 0.071 0.000 0.934 146 K CA -0.536 55.791 56.287 0.067 0.000 0.802 146 K CB 2.288 34.829 32.500 0.068 0.000 1.171 146 K HN 1.027 nan 8.250 nan 0.000 0.426 147 E N 1.732 121.990 120.200 0.096 0.000 2.366 147 E HA 0.374 4.724 4.350 0.001 0.000 0.278 147 E C -2.937 173.773 176.600 0.183 0.000 0.923 147 E CA -2.547 53.923 56.400 0.117 0.000 0.761 147 E CB 1.704 31.461 29.700 0.094 0.000 1.231 147 E HN 0.139 nan 8.360 nan 0.000 0.443 148 P HA -0.093 nan 4.420 nan 0.000 0.263 148 P C 0.452 177.964 177.300 0.352 0.000 1.168 148 P CA 0.318 63.624 63.100 0.343 0.000 0.759 148 P CB 0.837 32.873 31.700 0.559 0.000 0.782 149 I N 1.282 121.963 120.570 0.184 0.000 2.353 149 I HA -0.001 4.169 4.170 0.001 0.000 0.248 149 I C 1.050 177.133 176.117 -0.056 0.000 1.119 149 I CA 1.953 63.304 61.300 0.084 0.000 1.417 149 I CB -0.255 37.751 38.000 0.009 0.000 1.078 149 I HN 0.687 nan 8.210 nan 0.000 0.421 150 G N -0.716 107.840 108.800 -0.406 0.000 2.302 150 G HA2 0.017 3.978 3.960 0.001 0.000 0.264 150 G HA3 0.017 3.978 3.960 0.001 0.000 0.264 150 G C -1.114 173.263 174.900 -0.871 0.000 1.335 150 G CA -0.285 44.133 45.100 -1.138 0.000 0.982 150 G HN -0.034 nan 8.290 nan 0.000 0.473 151 V N 0.312 119.823 119.914 -0.672 0.000 2.572 151 V HA 0.391 4.512 4.120 0.001 0.000 0.291 151 V C 0.679 176.637 176.094 -0.227 0.000 1.039 151 V CA -0.056 62.008 62.300 -0.393 0.000 1.055 151 V CB 0.347 32.016 31.823 -0.257 0.000 0.969 151 V HN 0.854 nan 8.190 nan 0.000 0.482 152 C N 3.978 123.190 119.300 -0.147 0.000 2.470 152 C HA 0.958 5.419 4.460 0.001 0.000 0.341 152 C C 0.483 175.449 174.990 -0.039 0.000 1.190 152 C CA -0.647 58.337 59.018 -0.057 0.000 1.904 152 C CB 1.201 28.976 27.740 0.059 0.000 2.354 152 C HN 1.037 nan 8.230 nan 0.000 0.509 153 A N 0.838 123.650 122.820 -0.014 0.000 2.475 153 A HA 0.959 5.279 4.320 0.001 0.000 0.301 153 A C -0.992 176.613 177.584 0.034 0.000 1.059 153 A CA -0.289 51.747 52.037 -0.000 0.000 0.710 153 A CB 1.253 20.246 19.000 -0.012 0.000 1.288 153 A HN 1.596 nan 8.150 nan 0.000 0.408 154 A N 1.389 124.236 122.820 0.045 0.000 2.422 154 A HA 0.752 5.073 4.320 0.001 0.000 0.302 154 A C -1.091 176.543 177.584 0.083 0.000 1.041 154 A CA -0.318 51.759 52.037 0.068 0.000 0.708 154 A CB 0.806 19.838 19.000 0.054 0.000 1.257 154 A HN 0.759 nan 8.150 nan 0.000 0.414 155 I N 2.459 123.114 120.570 0.142 0.000 2.362 155 I HA 0.461 4.631 4.170 0.001 0.000 0.289 155 I C 0.510 176.673 176.117 0.077 0.000 0.994 155 I CA -0.339 61.066 61.300 0.176 0.000 1.158 155 I CB 2.238 40.444 38.000 0.345 0.000 1.315 155 I HN 0.771 nan 8.210 nan 0.000 0.451 156 T N 4.075 118.645 114.554 0.028 0.000 2.940 156 T HA 0.711 5.061 4.350 0.001 0.000 0.288 156 T C -2.710 171.960 174.700 -0.051 0.000 1.033 156 T CA -1.990 60.079 62.100 -0.052 0.000 1.033 156 T CB 2.318 71.174 68.868 -0.020 0.000 1.079 156 T HN 0.258 nan 8.240 nan 0.000 0.496 157 P HA 0.341 nan 4.420 nan 0.000 0.304 157 P C 0.717 177.957 177.300 -0.099 0.000 1.310 157 P CA -0.871 62.121 63.100 -0.179 0.000 0.796 157 P CB 1.009 32.474 31.700 -0.392 0.000 1.297 158 W N 0.467 121.770 121.300 0.003 0.000 2.942 158 W HA 0.022 4.683 4.660 0.001 0.000 0.263 158 W C 0.977 177.504 176.519 0.013 0.000 1.296 158 W CA 0.306 57.656 57.345 0.008 0.000 1.504 158 W CB -1.710 27.743 29.460 -0.012 0.000 1.096 158 W HN 0.207 nan 8.180 nan 0.000 0.639 159 N N 1.392 119.830 118.700 -0.437 0.000 2.244 159 N HA -0.164 4.576 4.740 0.001 0.000 0.183 159 N C -0.181 175.211 175.510 -0.197 0.000 1.016 159 N CA 0.821 53.710 53.050 -0.268 0.000 0.866 159 N CB -0.933 37.287 38.487 -0.445 0.000 0.980 159 N HN 0.088 nan 8.380 nan 0.000 0.430 160 F N 0.716 120.632 119.950 -0.057 0.000 2.660 160 F HA 0.378 4.906 4.527 0.001 0.000 0.352 160 F C -1.914 173.898 175.800 0.019 0.000 1.257 160 F CA -1.949 56.061 58.000 0.017 0.000 1.200 160 F CB 2.094 41.106 39.000 0.020 0.000 1.473 160 F HN -0.127 nan 8.300 nan 0.000 0.561 161 P HA 0.039 nan 4.420 nan 0.000 0.241 161 P C 0.969 178.344 177.300 0.125 0.000 1.191 161 P CA 0.723 63.898 63.100 0.124 0.000 0.771 161 P CB 0.504 32.284 31.700 0.133 0.000 0.929 162 A N -0.043 122.863 122.820 0.142 0.000 1.970 162 A HA 0.450 4.771 4.320 0.001 0.000 0.204 162 A C 2.246 179.893 177.584 0.106 0.000 1.325 162 A CA 0.874 52.989 52.037 0.131 0.000 0.767 162 A CB -1.133 17.946 19.000 0.132 0.000 0.949 162 A HN 0.101 nan 8.150 nan 0.000 0.481 163 A N -0.207 122.704 122.820 0.153 0.000 1.877 163 A HA -0.124 4.197 4.320 0.001 0.000 0.216 163 A C 2.126 179.634 177.584 -0.127 0.000 1.186 163 A CA 2.015 54.076 52.037 0.040 0.000 0.620 163 A CB -0.576 18.528 19.000 0.173 0.000 0.822 163 A HN 0.385 nan 8.150 nan 0.000 0.443 164 M N -0.174 119.392 119.600 -0.056 0.000 2.202 164 M HA -0.126 4.355 4.480 0.001 0.000 0.262 164 M C 1.961 178.202 176.300 -0.098 0.000 1.063 164 M CA 1.145 56.369 55.300 -0.128 0.000 1.097 164 M CB -1.186 31.374 32.600 -0.065 0.000 1.382 164 M HN 0.356 nan 8.290 nan 0.000 0.413 165 I N 0.043 120.604 120.570 -0.014 0.000 2.202 165 I HA -0.153 4.017 4.170 0.001 0.000 0.242 165 I C 2.621 178.772 176.117 0.056 0.000 1.091 165 I CA 1.444 62.775 61.300 0.052 0.000 1.368 165 I CB -1.919 36.159 38.000 0.131 0.000 1.058 165 I HN 0.159 nan 8.210 nan 0.000 0.410 166 A N 0.723 123.541 122.820 -0.003 0.000 1.933 166 A HA -0.188 4.133 4.320 0.001 0.000 0.218 166 A C 2.476 179.990 177.584 -0.116 0.000 1.175 166 A CA 1.317 53.330 52.037 -0.041 0.000 0.628 166 A CB -0.645 18.308 19.000 -0.079 0.000 0.814 166 A HN 0.315 nan 8.150 nan 0.000 0.444 167 R N -0.979 119.304 120.500 -0.361 0.000 2.235 167 R HA -0.010 4.331 4.340 0.001 0.000 0.213 167 R C 1.544 177.658 176.300 -0.310 0.000 1.059 167 R CA 1.352 57.109 56.100 -0.572 0.000 0.997 167 R CB -0.012 29.785 30.300 -0.839 0.000 0.884 167 R HN 0.508 nan 8.270 nan 0.000 0.462 168 K N -1.377 118.913 120.400 -0.183 0.000 2.424 168 K HA 0.110 4.431 4.320 0.001 0.000 0.198 168 K C 1.678 178.209 176.600 -0.115 0.000 1.190 168 K CA 0.106 56.326 56.287 -0.112 0.000 0.935 168 K CB 0.716 33.197 32.500 -0.031 0.000 1.087 168 K HN -0.100 nan 8.250 nan 0.000 0.524 169 V N 1.165 121.063 119.914 -0.027 0.000 2.379 169 V HA -0.125 3.995 4.120 0.001 0.000 0.245 169 V C 2.287 178.381 176.094 0.000 0.000 1.044 169 V CA 2.277 64.592 62.300 0.025 0.000 1.036 169 V CB -0.850 31.088 31.823 0.190 0.000 0.664 169 V HN 0.452 nan 8.190 nan 0.000 0.453 170 G N 1.547 110.381 108.800 0.056 0.000 2.514 170 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 170 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 170 G C 0.113 174.897 174.900 -0.192 0.000 1.198 170 G CA 1.377 46.546 45.100 0.114 0.000 0.780 170 G HN 0.561 nan 8.290 nan 0.000 0.565 171 P HA -0.048 nan 4.420 nan 0.000 0.216 171 P C 2.125 178.923 177.300 -0.836 0.000 1.153 171 P CA 2.055 64.459 63.100 -1.159 0.000 0.848 171 P CB -0.227 30.508 31.700 -1.609 0.000 0.787 172 A N 0.160 122.398 122.820 -0.970 0.000 1.851 172 A HA -0.191 4.129 4.320 0.001 0.000 0.216 172 A C 2.289 179.833 177.584 -0.067 0.000 1.195 172 A CA 1.843 53.560 52.037 -0.533 0.000 0.622 172 A CB -1.718 17.132 19.000 -0.251 0.000 0.831 172 A HN 0.076 nan 8.150 nan 0.000 0.444 173 L N -0.350 120.891 121.223 0.030 0.000 2.042 173 L HA -0.159 4.181 4.340 0.001 0.000 0.210 173 L C 3.022 180.162 176.870 0.450 0.000 1.076 173 L CA 1.993 57.043 54.840 0.349 0.000 0.749 173 L CB -0.963 41.254 42.059 0.263 0.000 0.893 173 L HN 0.422 nan 8.230 nan 0.000 0.432 174 A N -0.793 122.158 122.820 0.218 0.000 1.908 174 A HA -0.185 4.136 4.320 0.001 0.000 0.218 174 A C 2.493 180.142 177.584 0.109 0.000 1.181 174 A CA 1.864 53.999 52.037 0.164 0.000 0.627 174 A CB -0.939 18.163 19.000 0.169 0.000 0.818 174 A HN 0.407 nan 8.150 nan 0.000 0.445 175 A N -1.874 121.006 122.820 0.101 0.000 1.933 175 A HA 0.307 4.627 4.320 0.001 0.000 0.218 175 A C 1.922 179.597 177.584 0.151 0.000 1.175 175 A CA 1.993 54.104 52.037 0.125 0.000 0.628 175 A CB -0.793 18.299 19.000 0.155 0.000 0.814 175 A HN 1.960 nan 8.150 nan 0.000 0.444 176 G N -3.195 105.748 108.800 0.239 0.000 2.148 176 G HA2 -0.062 3.899 3.960 0.001 0.000 0.120 176 G HA3 -0.062 3.899 3.960 0.001 0.000 0.120 176 G C -0.204 175.076 174.900 0.635 0.000 1.034 176 G CA -0.274 44.984 45.100 0.263 0.000 0.710 176 G HN 0.627 nan 8.290 nan 0.000 0.495 177 C N 1.914 121.523 119.300 0.514 0.000 2.376 177 C HA 0.819 5.280 4.460 0.001 0.000 0.335 177 C C -1.783 173.263 174.990 0.094 0.000 1.229 177 C CA -1.488 57.664 59.018 0.224 0.000 1.867 177 C CB 1.919 29.710 27.740 0.086 0.000 2.319 177 C HN 0.406 nan 8.230 nan 0.000 0.515 178 P HA 0.561 nan 4.420 nan 0.000 0.286 178 P C -1.098 176.104 177.300 -0.163 0.000 1.261 178 P CA -0.211 62.773 63.100 -0.194 0.000 0.821 178 P CB 1.409 33.017 31.700 -0.153 0.000 1.013 179 I N 1.869 122.346 120.570 -0.155 0.000 2.569 179 I HA 0.319 4.490 4.170 0.001 0.000 0.290 179 I C -1.277 174.785 176.117 -0.090 0.000 1.088 179 I CA -1.145 60.097 61.300 -0.097 0.000 1.047 179 I CB 2.134 40.099 38.000 -0.058 0.000 1.237 179 I HN -0.030 nan 8.210 nan 0.000 0.421 180 V N 7.600 127.475 119.914 -0.065 0.000 2.394 180 V HA 0.434 4.554 4.120 0.001 0.000 0.282 180 V C -0.370 175.713 176.094 -0.020 0.000 1.031 180 V CA -0.568 61.701 62.300 -0.052 0.000 0.881 180 V CB 1.429 33.220 31.823 -0.055 0.000 0.982 180 V HN 0.448 nan 8.190 nan 0.000 0.451 181 V N 5.110 125.019 119.914 -0.008 0.000 2.378 181 V HA 0.469 4.590 4.120 0.001 0.000 0.288 181 V C 0.056 176.169 176.094 0.031 0.000 1.016 181 V CA -0.832 61.479 62.300 0.018 0.000 0.840 181 V CB 1.725 33.563 31.823 0.026 0.000 0.994 181 V HN 0.797 nan 8.190 nan 0.000 0.431 182 K N 7.905 128.332 120.400 0.044 0.000 2.347 182 K HA 0.461 4.781 4.320 0.001 0.000 0.262 182 K C -2.783 173.859 176.600 0.071 0.000 1.052 182 K CA -1.678 54.642 56.287 0.055 0.000 0.946 182 K CB 2.195 34.726 32.500 0.052 0.000 1.220 182 K HN 0.397 nan 8.250 nan 0.000 0.450 183 P HA 0.214 nan 4.420 nan 0.000 0.281 183 P C -0.752 176.602 177.300 0.091 0.000 1.281 183 P CA -0.616 62.530 63.100 0.076 0.000 0.811 183 P CB 0.703 32.447 31.700 0.074 0.000 1.154 184 A N 1.269 124.153 122.820 0.107 0.000 2.477 184 A HA 0.088 4.409 4.320 0.001 0.000 0.246 184 A C 1.423 179.073 177.584 0.110 0.000 1.078 184 A CA -0.175 51.945 52.037 0.138 0.000 0.770 184 A CB -0.236 18.910 19.000 0.243 0.000 1.011 184 A HN 0.557 nan 8.150 nan 0.000 0.494 185 E N 2.059 122.294 120.200 0.059 0.000 2.274 185 E HA -0.088 4.262 4.350 0.001 0.000 0.194 185 E C 1.684 178.327 176.600 0.072 0.000 0.996 185 E CA 1.366 57.781 56.400 0.024 0.000 0.840 185 E CB -0.624 28.878 29.700 -0.330 0.000 0.772 185 E HN 0.586 nan 8.360 nan 0.000 0.491 186 S N 0.683 116.405 115.700 0.038 0.000 2.428 186 S HA -0.049 4.421 4.470 0.001 0.000 0.230 186 S C 1.225 175.860 174.600 0.058 0.000 1.014 186 S CA 1.382 59.595 58.200 0.020 0.000 0.957 186 S CB -0.016 63.122 63.200 -0.105 0.000 0.784 186 S HN 0.488 nan 8.310 nan 0.000 0.499 187 T N -0.918 113.687 114.554 0.085 0.000 3.428 187 T HA 0.399 4.750 4.350 0.001 0.000 0.301 187 T C -2.780 171.932 174.700 0.020 0.000 1.323 187 T CA -1.246 60.902 62.100 0.079 0.000 1.647 187 T CB 1.526 70.494 68.868 0.167 0.000 0.871 187 T HN -0.013 nan 8.240 nan 0.000 0.627 188 P HA 0.254 nan 4.420 nan 0.000 0.238 188 P C 1.067 178.290 177.300 -0.127 0.000 1.183 188 P CA -0.107 62.898 63.100 -0.158 0.000 0.813 188 P CB -0.070 31.472 31.700 -0.264 0.000 0.944 189 F N 0.802 120.769 119.950 0.029 0.000 2.134 189 F HA -0.115 4.413 4.527 0.001 0.000 0.299 189 F C 2.436 178.254 175.800 0.029 0.000 1.097 189 F CA 1.335 59.327 58.000 -0.014 0.000 1.264 189 F CB -1.716 37.244 39.000 -0.067 0.000 1.001 189 F HN -0.125 nan 8.300 nan 0.000 0.479 190 S N 0.156 115.991 115.700 0.224 0.000 2.370 190 S HA -0.213 4.258 4.470 0.001 0.000 0.226 190 S C 2.393 177.093 174.600 0.167 0.000 1.033 190 S CA 1.127 59.430 58.200 0.172 0.000 1.011 190 S CB -0.797 62.491 63.200 0.147 0.000 0.852 190 S HN 0.382 nan 8.310 nan 0.000 0.457 191 A N 1.322 124.230 122.820 0.146 0.000 1.902 191 A HA 0.007 4.328 4.320 0.001 0.000 0.217 191 A C 2.128 179.812 177.584 0.166 0.000 1.181 191 A CA 1.145 53.267 52.037 0.142 0.000 0.623 191 A CB -0.663 18.400 19.000 0.104 0.000 0.818 191 A HN 0.453 nan 8.150 nan 0.000 0.443 192 L N -0.906 120.429 121.223 0.185 0.000 2.072 192 L HA -0.122 4.218 4.340 0.001 0.000 0.205 192 L C 3.072 180.129 176.870 0.313 0.000 1.079 192 L CA 0.918 55.919 54.840 0.267 0.000 0.752 192 L CB -0.558 41.687 42.059 0.309 0.000 0.906 192 L HN 0.411 nan 8.230 nan 0.000 0.436 193 A N -0.328 122.635 122.820 0.239 0.000 1.978 193 A HA -0.231 4.089 4.320 0.001 0.000 0.220 193 A C 2.286 180.060 177.584 0.318 0.000 1.170 193 A CA 1.843 54.020 52.037 0.234 0.000 0.636 193 A CB -0.443 18.651 19.000 0.157 0.000 0.810 193 A HN 0.375 nan 8.150 nan 0.000 0.448 194 M N -1.192 118.593 119.600 0.308 0.000 2.334 194 M HA 0.023 4.504 4.480 0.001 0.000 0.266 194 M C 2.454 178.940 176.300 0.310 0.000 1.082 194 M CA 0.893 56.456 55.300 0.437 0.000 1.141 194 M CB -0.163 32.742 32.600 0.508 0.000 1.380 194 M HN 0.468 nan 8.290 nan 0.000 0.440 195 A N 0.247 123.143 122.820 0.127 0.000 1.908 195 A HA -0.222 4.099 4.320 0.001 0.000 0.218 195 A C 1.948 179.391 177.584 -0.234 0.000 1.181 195 A CA 1.515 53.436 52.037 -0.194 0.000 0.627 195 A CB -1.011 17.817 19.000 -0.286 0.000 0.818 195 A HN 0.519 nan 8.150 nan 0.000 0.445 196 F N 0.430 120.382 119.950 0.003 0.000 2.134 196 F HA -0.125 4.403 4.527 0.001 0.000 0.299 196 F C 1.882 177.707 175.800 0.041 0.000 1.097 196 F CA 1.718 59.798 58.000 0.133 0.000 1.264 196 F CB -0.242 38.827 39.000 0.114 0.000 1.001 196 F HN 0.136 nan 8.300 nan 0.000 0.479 197 L N -0.587 120.702 121.223 0.109 0.000 2.156 197 L HA -0.090 4.250 4.340 0.001 0.000 0.208 197 L C 2.688 179.548 176.870 -0.016 0.000 1.095 197 L CA 0.857 55.747 54.840 0.083 0.000 0.770 197 L CB -0.988 41.269 42.059 0.329 0.000 0.914 197 L HN 0.216 nan 8.230 nan 0.000 0.439 198 A N -0.128 122.500 122.820 -0.319 0.000 1.898 198 A HA -0.240 4.080 4.320 0.001 0.000 0.216 198 A C 2.271 179.614 177.584 -0.401 0.000 1.181 198 A CA 1.636 53.195 52.037 -0.796 0.000 0.620 198 A CB -0.469 17.749 19.000 -1.303 0.000 0.819 198 A HN 0.448 nan 8.150 nan 0.000 0.442 199 E N -0.228 119.779 120.200 -0.322 0.000 2.097 199 E HA -0.262 4.089 4.350 0.001 0.000 0.196 199 E C 2.221 178.733 176.600 -0.147 0.000 1.000 199 E CA 1.371 57.667 56.400 -0.173 0.000 0.804 199 E CB -0.179 29.450 29.700 -0.117 0.000 0.740 199 E HN 0.572 nan 8.360 nan 0.000 0.454 200 R N -0.419 119.947 120.500 -0.222 0.000 2.235 200 R HA -0.010 4.331 4.340 0.001 0.000 0.213 200 R C 1.942 178.201 176.300 -0.070 0.000 1.059 200 R CA 0.837 56.832 56.100 -0.174 0.000 0.997 200 R CB -0.029 30.112 30.300 -0.265 0.000 0.884 200 R HN 0.181 nan 8.270 nan 0.000 0.462 201 A N -0.574 122.216 122.820 -0.050 0.000 2.072 201 A HA 0.167 4.488 4.320 0.001 0.000 0.216 201 A C 1.379 178.984 177.584 0.036 0.000 1.156 201 A CA 1.054 53.111 52.037 0.033 0.000 0.701 201 A CB 0.104 19.164 19.000 0.101 0.000 0.816 201 A HN 0.487 nan 8.150 nan 0.000 0.458 202 G N -1.977 106.821 108.800 -0.003 0.000 2.175 202 G HA2 -0.133 3.828 3.960 0.001 0.000 0.182 202 G HA3 -0.133 3.828 3.960 0.001 0.000 0.182 202 G C 0.103 175.023 174.900 0.033 0.000 1.003 202 G CA -0.133 44.985 45.100 0.030 0.000 0.666 202 G HN 0.684 nan 8.290 nan 0.000 0.506 203 V N 2.768 122.650 119.914 -0.053 0.000 2.506 203 V HA 0.203 4.323 4.120 0.001 0.000 0.296 203 V C -0.876 175.150 176.094 -0.113 0.000 1.004 203 V CA -0.099 62.106 62.300 -0.157 0.000 1.150 203 V CB 0.425 32.046 31.823 -0.337 0.000 0.911 203 V HN 0.258 nan 8.190 nan 0.000 0.476 204 P HA 0.266 nan 4.420 nan 0.000 0.270 204 P C -0.010 177.234 177.300 -0.093 0.000 1.223 204 P CA -0.160 62.925 63.100 -0.026 0.000 0.785 204 P CB 0.375 32.114 31.700 0.065 0.000 0.923 205 K N 1.062 121.424 120.400 -0.065 0.000 2.412 205 K HA 0.427 4.748 4.320 0.001 0.000 0.281 205 K C 1.323 177.843 176.600 -0.134 0.000 1.027 205 K CA 0.181 56.400 56.287 -0.114 0.000 0.989 205 K CB -1.109 31.334 32.500 -0.095 0.000 0.935 205 K HN 0.923 nan 8.250 nan 0.000 0.475 206 G N 0.176 108.858 108.800 -0.197 0.000 2.258 206 G HA2 -0.288 3.673 3.960 0.001 0.000 0.233 206 G HA3 -0.288 3.673 3.960 0.001 0.000 0.233 206 G C 1.373 176.159 174.900 -0.192 0.000 1.006 206 G CA 0.585 45.581 45.100 -0.174 0.000 0.620 206 G HN 1.106 nan 8.290 nan 0.000 0.511 207 V N 0.263 120.024 119.914 -0.256 0.000 2.453 207 V HA 0.295 4.416 4.120 0.001 0.000 0.247 207 V C 1.185 177.071 176.094 -0.347 0.000 1.048 207 V CA 1.967 64.029 62.300 -0.397 0.000 1.049 207 V CB -0.094 31.274 31.823 -0.759 0.000 0.672 207 V HN 0.582 nan 8.190 nan 0.000 0.457 208 L N -0.599 120.462 121.223 -0.269 0.000 2.365 208 L HA 0.699 5.039 4.340 0.001 0.000 0.273 208 L C -0.566 176.239 176.870 -0.109 0.000 1.000 208 L CA 0.219 54.950 54.840 -0.180 0.000 0.819 208 L CB 2.146 44.084 42.059 -0.202 0.000 1.284 208 L HN -0.024 nan 8.230 nan 0.000 0.418 209 S N 2.896 118.541 115.700 -0.092 0.000 2.548 209 S HA 0.806 5.277 4.470 0.001 0.000 0.286 209 S C -1.333 173.256 174.600 -0.018 0.000 1.098 209 S CA -0.571 57.576 58.200 -0.089 0.000 0.930 209 S CB 2.137 65.250 63.200 -0.145 0.000 1.070 209 S HN 0.412 nan 8.310 nan 0.000 0.480 210 V N 3.166 123.086 119.914 0.010 0.000 2.357 210 V HA 0.426 4.547 4.120 0.001 0.000 0.281 210 V C -0.252 175.853 176.094 0.017 0.000 1.015 210 V CA -0.770 61.546 62.300 0.026 0.000 0.827 210 V CB 1.189 33.044 31.823 0.054 0.000 1.018 210 V HN 0.746 nan 8.190 nan 0.000 0.432 211 V N 3.763 123.686 119.914 0.015 0.000 2.481 211 V HA 0.791 4.912 4.120 0.001 0.000 0.286 211 V C -0.490 175.636 176.094 0.053 0.000 1.042 211 V CA -0.401 61.911 62.300 0.020 0.000 0.928 211 V CB 1.570 33.395 31.823 0.003 0.000 0.986 211 V HN 0.629 nan 8.190 nan 0.000 0.462 212 I N 4.497 125.110 120.570 0.072 0.000 2.582 212 I HA 0.930 5.100 4.170 0.001 0.000 0.292 212 I C 0.594 176.827 176.117 0.193 0.000 1.066 212 I CA 0.312 61.689 61.300 0.130 0.000 1.053 212 I CB 1.902 39.962 38.000 0.100 0.000 1.241 212 I HN 1.199 nan 8.210 nan 0.000 0.421 213 G N 4.204 113.169 108.800 0.275 0.000 2.384 213 G HA2 -0.064 3.897 3.960 0.001 0.000 0.150 213 G HA3 -0.064 3.897 3.960 0.001 0.000 0.150 213 G C -1.501 173.443 174.900 0.073 0.000 1.269 213 G CA -0.757 44.507 45.100 0.272 0.000 1.094 213 G HN 0.509 nan 8.290 nan 0.000 0.467 214 D N 2.581 123.005 120.400 0.040 0.000 2.389 214 D HA 0.251 4.892 4.640 0.001 0.000 0.263 214 D C -0.519 175.772 176.300 -0.016 0.000 1.255 214 D CA -1.091 52.901 54.000 -0.014 0.000 0.914 214 D CB 1.559 42.360 40.800 0.001 0.000 1.116 214 D HN 0.029 nan 8.370 nan 0.000 0.502 215 P HA -0.186 nan 4.420 nan 0.000 0.216 215 P C 1.154 178.444 177.300 -0.017 0.000 1.150 215 P CA 1.640 64.730 63.100 -0.017 0.000 0.837 215 P CB 0.224 31.911 31.700 -0.023 0.000 0.786 216 K N 0.435 120.820 120.400 -0.024 0.000 2.031 216 K HA 0.085 4.405 4.320 0.001 0.000 0.205 216 K C 2.413 179.000 176.600 -0.022 0.000 1.049 216 K CA 1.666 57.937 56.287 -0.027 0.000 0.939 216 K CB -1.612 30.872 32.500 -0.026 0.000 0.717 216 K HN 0.177 nan 8.250 nan 0.000 0.438 217 A N 0.942 123.753 122.820 -0.014 0.000 1.877 217 A HA 0.008 4.329 4.320 0.001 0.000 0.216 217 A C 2.473 180.052 177.584 -0.008 0.000 1.186 217 A CA 1.679 53.711 52.037 -0.009 0.000 0.620 217 A CB -0.395 18.604 19.000 -0.001 0.000 0.822 217 A HN 0.487 nan 8.150 nan 0.000 0.443 218 I N -0.294 120.275 120.570 -0.002 0.000 2.252 218 I HA -0.159 4.011 4.170 0.001 0.000 0.245 218 I C 2.701 178.813 176.117 -0.008 0.000 1.102 218 I CA 1.009 62.309 61.300 0.000 0.000 1.385 218 I CB -0.631 37.377 38.000 0.014 0.000 1.064 218 I HN 0.382 nan 8.210 nan 0.000 0.414 219 G N 0.350 109.141 108.800 -0.015 0.000 2.459 219 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 219 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 219 G C 1.670 176.546 174.900 -0.040 0.000 1.183 219 G CA 1.542 46.623 45.100 -0.032 0.000 0.776 219 G HN 0.278 nan 8.290 nan 0.000 0.552 220 T N 0.599 115.132 114.554 -0.036 0.000 2.759 220 T HA -0.107 4.244 4.350 0.001 0.000 0.269 220 T C 2.221 176.903 174.700 -0.029 0.000 1.042 220 T CA 1.715 63.794 62.100 -0.034 0.000 1.140 220 T CB -0.137 68.715 68.868 -0.028 0.000 0.864 220 T HN 0.392 nan 8.240 nan 0.000 0.455 221 E N 1.129 121.315 120.200 -0.023 0.000 2.047 221 E HA -0.034 4.316 4.350 0.001 0.000 0.191 221 E C 2.027 178.612 176.600 -0.025 0.000 0.987 221 E CA 1.049 57.436 56.400 -0.021 0.000 0.799 221 E CB -0.578 29.112 29.700 -0.017 0.000 0.752 221 E HN 0.516 nan 8.360 nan 0.000 0.449 222 I N 0.645 121.199 120.570 -0.026 0.000 2.127 222 I HA -0.324 3.847 4.170 0.001 0.000 0.241 222 I C 2.345 178.441 176.117 -0.035 0.000 1.075 222 I CA 1.983 63.266 61.300 -0.029 0.000 1.334 222 I CB -0.706 37.280 38.000 -0.023 0.000 1.040 222 I HN 0.301 nan 8.210 nan 0.000 0.405 223 T N -1.941 112.589 114.554 -0.040 0.000 2.867 223 T HA -0.104 4.247 4.350 0.001 0.000 0.268 223 T C 1.799 176.476 174.700 -0.038 0.000 1.057 223 T CA 1.260 63.333 62.100 -0.045 0.000 1.136 223 T CB -0.498 68.335 68.868 -0.058 0.000 0.874 223 T HN 0.459 nan 8.240 nan 0.000 0.466 224 S N 0.675 116.355 115.700 -0.033 0.000 2.503 224 S HA 0.116 4.587 4.470 0.001 0.000 0.217 224 S C 0.928 175.513 174.600 -0.024 0.000 0.999 224 S CA -0.480 57.704 58.200 -0.027 0.000 0.914 224 S CB -0.582 62.604 63.200 -0.024 0.000 0.782 224 S HN 0.401 nan 8.310 nan 0.000 0.520 225 N N 3.454 122.139 118.700 -0.026 0.000 2.452 225 N HA 0.196 4.936 4.740 0.001 0.000 0.266 225 N C -2.147 173.348 175.510 -0.025 0.000 1.175 225 N CA -1.396 51.640 53.050 -0.024 0.000 0.945 225 N CB 1.402 39.873 38.487 -0.027 0.000 1.063 225 N HN 0.065 nan 8.380 nan 0.000 0.472 226 P HA 0.039 nan 4.420 nan 0.000 0.226 226 P C 1.232 178.520 177.300 -0.019 0.000 1.153 226 P CA 0.725 63.816 63.100 -0.016 0.000 0.777 226 P CB 0.362 32.058 31.700 -0.007 0.000 0.794 227 I N -1.484 119.072 120.570 -0.023 0.000 2.439 227 I HA -0.083 4.088 4.170 0.001 0.000 0.251 227 I C 0.553 176.632 176.117 -0.063 0.000 1.139 227 I CA 0.515 61.797 61.300 -0.030 0.000 1.438 227 I CB -0.225 37.761 38.000 -0.023 0.000 1.085 227 I HN -0.275 nan 8.210 nan 0.000 0.427 228 V N 2.493 122.370 119.914 -0.061 0.000 2.415 228 V HA 0.040 4.161 4.120 0.001 0.000 0.267 228 V C 1.234 177.283 176.094 -0.075 0.000 1.042 228 V CA 0.406 62.660 62.300 -0.076 0.000 1.000 228 V CB 0.550 32.337 31.823 -0.060 0.000 1.015 228 V HN 0.295 nan 8.190 nan 0.000 0.478 229 R N 2.894 123.334 120.500 -0.100 0.000 2.265 229 R HA 0.170 4.511 4.340 0.001 0.000 0.194 229 R C 0.507 176.755 176.300 -0.087 0.000 0.931 229 R CA 0.197 56.246 56.100 -0.086 0.000 1.032 229 R CB 0.460 30.701 30.300 -0.098 0.000 0.980 229 R HN 0.744 nan 8.270 nan 0.000 0.497 230 K N 0.343 120.681 120.400 -0.103 0.000 2.523 230 K HA 0.368 4.689 4.320 0.001 0.000 0.257 230 K C -1.844 174.699 176.600 -0.095 0.000 0.932 230 K CA -0.911 55.306 56.287 -0.117 0.000 0.812 230 K CB 1.924 34.316 32.500 -0.181 0.000 1.326 230 K HN -0.095 nan 8.250 nan 0.000 0.433 231 L N 1.444 122.618 121.223 -0.082 0.000 2.410 231 L HA 0.602 4.942 4.340 0.001 0.000 0.270 231 L C -1.432 175.428 176.870 -0.018 0.000 0.983 231 L CA -0.024 54.794 54.840 -0.036 0.000 0.822 231 L CB 2.416 44.463 42.059 -0.021 0.000 1.285 231 L HN 0.768 nan 8.230 nan 0.000 0.409 232 S N 3.954 119.670 115.700 0.027 0.000 2.475 232 S HA 0.789 5.259 4.470 0.001 0.000 0.298 232 S C -1.356 173.340 174.600 0.160 0.000 1.119 232 S CA -0.359 57.877 58.200 0.059 0.000 1.085 232 S CB 0.612 63.847 63.200 0.057 0.000 1.028 232 S HN 0.544 nan 8.310 nan 0.000 0.489 233 F N 2.877 122.820 119.950 -0.012 0.000 2.573 233 F HA 0.531 5.059 4.527 0.001 0.000 0.316 233 F C -0.814 174.987 175.800 0.002 0.000 1.148 233 F CA -0.223 57.774 58.000 -0.006 0.000 0.940 233 F CB 1.828 40.824 39.000 -0.007 0.000 1.214 233 F HN 0.425 nan 8.300 nan 0.000 0.448 234 T N 4.949 118.976 114.554 -0.878 0.000 2.815 234 T HA 0.797 5.148 4.350 0.001 0.000 0.289 234 T C -0.028 173.973 174.700 -1.165 0.000 1.000 234 T CA -0.143 61.492 62.100 -0.775 0.000 0.958 234 T CB 1.129 69.780 68.868 -0.362 0.000 0.944 234 T HN 1.086 nan 8.240 nan 0.000 0.442 235 G N 1.881 110.109 108.800 -0.952 0.000 2.485 235 G HA2 0.469 4.429 3.960 0.001 0.000 0.182 235 G HA3 0.469 4.429 3.960 0.001 0.000 0.182 235 G C -0.652 174.214 174.900 -0.056 0.000 1.172 235 G CA -0.242 44.572 45.100 -0.478 0.000 0.996 235 G HN 0.837 nan 8.290 nan 0.000 0.496 236 S N -0.247 115.545 115.700 0.154 0.000 2.565 236 S HA 0.444 4.914 4.470 0.001 0.000 0.274 236 S C 1.398 176.154 174.600 0.260 0.000 1.309 236 S CA 1.042 59.340 58.200 0.163 0.000 1.043 236 S CB 1.250 64.523 63.200 0.122 0.000 0.939 236 S HN 0.768 nan 8.310 nan 0.000 0.504 237 T N 3.587 118.274 114.554 0.222 0.000 2.759 237 T HA -0.110 4.240 4.350 0.001 0.000 0.269 237 T C 2.149 176.956 174.700 0.177 0.000 1.042 237 T CA 1.683 63.930 62.100 0.244 0.000 1.140 237 T CB -0.817 68.264 68.868 0.356 0.000 0.864 237 T HN 0.877 nan 8.240 nan 0.000 0.455 238 A N 0.931 123.842 122.820 0.151 0.000 1.940 238 A HA -0.055 4.265 4.320 0.001 0.000 0.219 238 A C 2.562 180.169 177.584 0.039 0.000 1.176 238 A CA 1.452 53.542 52.037 0.089 0.000 0.631 238 A CB -0.854 18.195 19.000 0.081 0.000 0.814 238 A HN 0.398 nan 8.150 nan 0.000 0.446 239 V N -0.337 119.603 119.914 0.043 0.000 2.488 239 V HA -0.069 4.052 4.120 0.001 0.000 0.246 239 V C 2.774 178.714 176.094 -0.256 0.000 1.046 239 V CA 1.481 63.724 62.300 -0.094 0.000 1.053 239 V CB -1.388 30.396 31.823 -0.064 0.000 0.679 239 V HN 0.586 nan 8.190 nan 0.000 0.458 240 G N 0.372 109.121 108.800 -0.085 0.000 2.446 240 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 240 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 240 G C 1.742 176.602 174.900 -0.066 0.000 1.168 240 G CA 0.879 45.944 45.100 -0.059 0.000 0.771 240 G HN 0.420 nan 8.290 nan 0.000 0.551 241 R N -0.219 120.272 120.500 -0.014 0.000 2.096 241 R HA 0.007 4.348 4.340 0.001 0.000 0.240 241 R C 2.657 178.924 176.300 -0.054 0.000 1.139 241 R CA 1.238 57.326 56.100 -0.020 0.000 0.952 241 R CB -0.480 29.821 30.300 0.001 0.000 0.854 241 R HN 0.338 nan 8.270 nan 0.000 0.436 242 L N 0.332 121.508 121.223 -0.079 0.000 2.109 242 L HA -0.143 4.197 4.340 0.001 0.000 0.207 242 L C 2.332 179.132 176.870 -0.117 0.000 1.086 242 L CA 0.979 55.766 54.840 -0.088 0.000 0.760 242 L CB -0.374 41.634 42.059 -0.085 0.000 0.910 242 L HN 0.208 nan 8.230 nan 0.000 0.437 243 L N -0.776 120.335 121.223 -0.187 0.000 2.083 243 L HA -0.254 4.086 4.340 0.001 0.000 0.209 243 L C 2.650 179.448 176.870 -0.120 0.000 1.083 243 L CA 1.324 56.045 54.840 -0.198 0.000 0.752 243 L CB -0.349 41.498 42.059 -0.354 0.000 0.899 243 L HN 0.356 nan 8.230 nan 0.000 0.433 244 M N -0.450 119.094 119.600 -0.093 0.000 2.175 244 M HA -0.172 4.308 4.480 0.001 0.000 0.264 244 M C 2.317 178.588 176.300 -0.048 0.000 1.063 244 M CA 1.806 57.073 55.300 -0.055 0.000 1.119 244 M CB -0.046 32.534 32.600 -0.033 0.000 1.377 244 M HN 0.246 nan 8.290 nan 0.000 0.415 245 A N 0.098 122.888 122.820 -0.051 0.000 1.873 245 A HA -0.217 4.104 4.320 0.001 0.000 0.215 245 A C 1.908 179.466 177.584 -0.043 0.000 1.186 245 A CA 1.794 53.806 52.037 -0.042 0.000 0.616 245 A CB -0.772 18.204 19.000 -0.040 0.000 0.823 245 A HN 0.684 nan 8.150 nan 0.000 0.442 246 Q N -0.112 119.655 119.800 -0.055 0.000 2.224 246 Q HA -0.063 4.277 4.340 0.001 0.000 0.203 246 Q C 2.038 178.010 176.000 -0.046 0.000 0.970 246 Q CA 1.506 57.278 55.803 -0.052 0.000 0.865 246 Q CB -0.062 28.638 28.738 -0.063 0.000 0.922 246 Q HN 0.642 nan 8.270 nan 0.000 0.445 247 S N 0.315 115.985 115.700 -0.049 0.000 2.527 247 S HA 0.063 4.534 4.470 0.001 0.000 0.222 247 S C 1.833 176.413 174.600 -0.034 0.000 0.985 247 S CA 0.420 58.594 58.200 -0.043 0.000 0.921 247 S CB 0.100 63.272 63.200 -0.046 0.000 0.772 247 S HN 0.434 nan 8.310 nan 0.000 0.529 248 A N 2.971 125.772 122.820 -0.031 0.000 1.865 248 A HA -0.027 4.294 4.320 0.001 0.000 0.217 248 A C -0.136 177.435 177.584 -0.020 0.000 1.191 248 A CA 1.323 53.345 52.037 -0.025 0.000 0.623 248 A CB -1.924 17.062 19.000 -0.023 0.000 0.826 248 A HN 0.351 nan 8.150 nan 0.000 0.444 249 P HA -0.121 nan 4.420 nan 0.000 0.222 249 P C 1.045 178.337 177.300 -0.014 0.000 1.142 249 P CA 1.958 65.048 63.100 -0.016 0.000 0.788 249 P CB -0.149 31.541 31.700 -0.017 0.000 0.767 250 T N -6.785 107.758 114.554 -0.018 0.000 3.040 250 T HA 0.180 4.530 4.350 0.001 0.000 0.266 250 T C 0.586 175.276 174.700 -0.017 0.000 1.005 250 T CA -0.292 61.799 62.100 -0.016 0.000 0.906 250 T CB -0.527 68.329 68.868 -0.020 0.000 1.082 250 T HN -0.189 nan 8.240 nan 0.000 0.531 251 V N 1.977 121.881 119.914 -0.018 0.000 5.820 251 V HA -0.228 3.893 4.120 0.001 0.000 0.300 251 V C 0.324 176.405 176.094 -0.022 0.000 0.585 251 V CA 0.738 63.028 62.300 -0.017 0.000 0.629 251 V CB -1.945 29.872 31.823 -0.010 0.000 0.291 251 V HN 0.652 nan 8.190 nan 0.000 0.887 252 K N 0.554 120.937 120.400 -0.029 0.000 2.295 252 K HA 0.318 4.638 4.320 0.001 0.000 0.270 252 K C 0.363 176.937 176.600 -0.042 0.000 1.011 252 K CA -0.709 55.555 56.287 -0.039 0.000 0.953 252 K CB 0.649 33.121 32.500 -0.045 0.000 0.956 252 K HN 0.262 nan 8.250 nan 0.000 0.477 253 K N 3.016 123.382 120.400 -0.055 0.000 2.383 253 K HA 0.064 4.384 4.320 0.001 0.000 0.286 253 K C -0.857 175.695 176.600 -0.080 0.000 1.051 253 K CA 0.021 56.268 56.287 -0.067 0.000 0.974 253 K CB 0.197 32.645 32.500 -0.087 0.000 0.968 253 K HN 0.289 nan 8.250 nan 0.000 0.475 254 L N 4.135 125.324 121.223 -0.058 0.000 2.317 254 L HA 0.445 4.786 4.340 0.001 0.000 0.281 254 L C -0.216 176.630 176.870 -0.041 0.000 1.024 254 L CA -0.250 54.564 54.840 -0.043 0.000 0.810 254 L CB 1.615 43.663 42.059 -0.018 0.000 1.240 254 L HN 0.699 nan 8.230 nan 0.000 0.427 255 T N 5.110 119.643 114.554 -0.034 0.000 2.792 255 T HA 0.661 5.012 4.350 0.001 0.000 0.280 255 T C -0.202 174.530 174.700 0.053 0.000 0.990 255 T CA -0.303 61.791 62.100 -0.009 0.000 0.960 255 T CB 0.883 69.725 68.868 -0.044 0.000 0.939 255 T HN 0.271 nan 8.240 nan 0.000 0.439 256 L N 3.725 124.989 121.223 0.068 0.000 2.372 256 L HA 0.473 4.813 4.340 0.001 0.000 0.274 256 L C 0.078 176.998 176.870 0.084 0.000 0.988 256 L CA -0.763 54.149 54.840 0.121 0.000 0.833 256 L CB 1.656 43.798 42.059 0.139 0.000 1.236 256 L HN 0.496 nan 8.230 nan 0.000 0.410 257 E N 5.807 126.036 120.200 0.047 0.000 2.261 257 E HA 0.358 4.709 4.350 0.001 0.000 0.239 257 E C -0.278 176.325 176.600 0.005 0.000 0.991 257 E CA -0.210 56.214 56.400 0.039 0.000 0.847 257 E CB 1.314 31.045 29.700 0.052 0.000 1.223 257 E HN 0.519 nan 8.360 nan 0.000 0.446 258 L N -0.177 121.085 121.223 0.064 0.000 2.855 258 L HA 0.462 4.802 4.340 0.001 0.000 0.204 258 L C 1.337 178.243 176.870 0.061 0.000 1.206 258 L CA -0.917 53.981 54.840 0.097 0.000 0.942 258 L CB -0.065 42.099 42.059 0.176 0.000 1.832 258 L HN 0.295 nan 8.230 nan 0.000 0.522 259 G N -1.553 107.282 108.800 0.059 0.000 2.636 259 G HA2 0.460 4.421 3.960 0.001 0.000 0.246 259 G HA3 0.460 4.421 3.960 0.001 0.000 0.246 259 G C -0.259 174.469 174.900 -0.286 0.000 1.216 259 G CA 0.251 45.272 45.100 -0.133 0.000 0.854 259 G HN 0.757 nan 8.290 nan 0.000 0.572 260 G N -1.175 107.366 108.800 -0.431 0.000 3.211 260 G HA2 0.472 4.432 3.960 0.001 0.000 0.262 260 G HA3 0.472 4.432 3.960 0.001 0.000 0.262 260 G C -0.721 173.937 174.900 -0.403 0.000 1.352 260 G CA -0.502 44.417 45.100 -0.302 0.000 1.004 260 G HN 0.807 nan 8.290 nan 0.000 0.559 261 N N -1.113 117.554 118.700 -0.055 0.000 2.968 261 N HA 0.289 5.029 4.740 0.001 0.000 0.192 261 N C -0.241 175.342 175.510 0.121 0.000 1.357 261 N CA 0.009 53.084 53.050 0.042 0.000 1.069 261 N CB 0.327 38.947 38.487 0.221 0.000 1.596 261 N HN 0.758 nan 8.380 nan 0.000 0.588 262 A N 2.048 124.894 122.820 0.044 0.000 2.524 262 A HA 0.395 4.716 4.320 0.001 0.000 0.250 262 A C -2.204 175.374 177.584 -0.011 0.000 1.078 262 A CA -0.438 51.612 52.037 0.022 0.000 0.761 262 A CB -0.193 18.833 19.000 0.043 0.000 1.012 262 A HN 0.346 nan 8.150 nan 0.000 0.500 263 P HA 0.319 nan 4.420 nan 0.000 0.292 263 P C -1.024 176.294 177.300 0.030 0.000 1.287 263 P CA -0.079 63.020 63.100 -0.002 0.000 0.800 263 P CB 0.663 32.307 31.700 -0.094 0.000 0.945 264 F N 4.644 124.538 119.950 -0.094 0.000 2.388 264 F HA 0.504 5.032 4.527 0.001 0.000 0.358 264 F C -0.367 175.482 175.800 0.080 0.000 1.122 264 F CA -0.849 57.132 58.000 -0.031 0.000 1.056 264 F CB 0.687 39.458 39.000 -0.382 0.000 1.155 264 F HN 0.136 nan 8.300 nan 0.000 0.461 265 I N 7.331 127.910 120.570 0.015 0.000 2.354 265 I HA 0.302 4.472 4.170 0.001 0.000 0.286 265 I C -1.055 175.131 176.117 0.115 0.000 1.007 265 I CA -0.863 60.459 61.300 0.036 0.000 1.167 265 I CB 1.561 39.480 38.000 -0.135 0.000 1.320 265 I HN 0.218 nan 8.210 nan 0.000 0.458 266 V N 7.130 127.151 119.914 0.178 0.000 2.311 266 V HA 0.355 4.476 4.120 0.001 0.000 0.275 266 V C -0.125 176.083 176.094 0.189 0.000 1.022 266 V CA -0.444 61.936 62.300 0.132 0.000 0.830 266 V CB 0.716 32.411 31.823 -0.212 0.000 1.012 266 V HN 0.381 nan 8.190 nan 0.000 0.452 267 F N 2.070 122.177 119.950 0.262 0.000 2.380 267 F HA 0.298 4.826 4.527 0.001 0.000 0.321 267 F C 1.700 177.514 175.800 0.023 0.000 1.103 267 F CA -0.083 58.054 58.000 0.228 0.000 1.067 267 F CB 0.730 39.839 39.000 0.181 0.000 1.265 267 F HN 0.527 nan 8.300 nan 0.000 0.517 268 D N 0.977 121.404 120.400 0.045 0.000 2.370 268 D HA -0.283 4.358 4.640 0.001 0.000 0.190 268 D C 1.222 177.511 176.300 -0.018 0.000 1.019 268 D CA 2.283 56.141 54.000 -0.235 0.000 0.869 268 D CB -0.215 40.362 40.800 -0.372 0.000 0.944 268 D HN 0.636 nan 8.370 nan 0.000 0.456 269 D N -0.802 119.631 120.400 0.055 0.000 2.427 269 D HA 0.267 4.908 4.640 0.001 0.000 0.224 269 D C 0.099 176.465 176.300 0.110 0.000 1.157 269 D CA -0.173 53.863 54.000 0.059 0.000 0.828 269 D CB -0.503 40.312 40.800 0.024 0.000 0.974 269 D HN 0.224 nan 8.370 nan 0.000 0.498 270 A N 0.549 123.469 122.820 0.166 0.000 2.466 270 A HA 0.149 4.469 4.320 0.001 0.000 0.238 270 A C 0.312 178.000 177.584 0.175 0.000 1.074 270 A CA -0.243 51.923 52.037 0.214 0.000 0.774 270 A CB 0.252 19.402 19.000 0.250 0.000 1.015 270 A HN 0.173 nan 8.150 nan 0.000 0.498 271 D N 2.315 122.840 120.400 0.208 0.000 2.374 271 D HA 0.151 4.792 4.640 0.001 0.000 0.240 271 D C 0.892 177.295 176.300 0.171 0.000 1.229 271 D CA -0.452 53.651 54.000 0.171 0.000 0.895 271 D CB 0.396 41.300 40.800 0.173 0.000 1.046 271 D HN 0.236 nan 8.370 nan 0.000 0.498 272 L N 3.648 124.956 121.223 0.142 0.000 2.042 272 L HA -0.152 4.189 4.340 0.001 0.000 0.210 272 L C 1.821 178.769 176.870 0.131 0.000 1.076 272 L CA 1.388 56.324 54.840 0.161 0.000 0.749 272 L CB -0.844 41.311 42.059 0.159 0.000 0.893 272 L HN 0.428 nan 8.230 nan 0.000 0.432 273 D N -0.513 119.944 120.400 0.094 0.000 2.117 273 D HA -0.105 4.536 4.640 0.001 0.000 0.198 273 D C 2.201 178.549 176.300 0.080 0.000 0.982 273 D CA 1.420 55.458 54.000 0.064 0.000 0.828 273 D CB 0.161 40.992 40.800 0.051 0.000 0.967 273 D HN 0.285 nan 8.370 nan 0.000 0.464 274 A N 1.033 123.929 122.820 0.126 0.000 1.898 274 A HA -0.015 4.305 4.320 0.001 0.000 0.216 274 A C 2.323 179.977 177.584 0.117 0.000 1.181 274 A CA 2.069 54.223 52.037 0.195 0.000 0.620 274 A CB -0.696 18.483 19.000 0.299 0.000 0.819 274 A HN 0.222 nan 8.150 nan 0.000 0.442 275 A N -0.480 122.294 122.820 -0.077 0.000 1.883 275 A HA -0.073 4.247 4.320 0.001 0.000 0.217 275 A C 2.236 179.804 177.584 -0.027 0.000 1.186 275 A CA 1.982 53.734 52.037 -0.474 0.000 0.624 275 A CB -1.032 17.867 19.000 -0.168 0.000 0.822 275 A HN 0.418 nan 8.150 nan 0.000 0.444 276 V N 0.017 119.983 119.914 0.086 0.000 2.407 276 V HA -0.200 3.920 4.120 0.001 0.000 0.248 276 V C 3.109 179.184 176.094 -0.033 0.000 1.055 276 V CA 2.587 64.867 62.300 -0.033 0.000 1.049 276 V CB -1.305 30.426 31.823 -0.153 0.000 0.662 276 V HN 0.807 nan 8.190 nan 0.000 0.455 277 E N 0.423 120.637 120.200 0.023 0.000 2.085 277 E HA -0.204 4.146 4.350 0.001 0.000 0.194 277 E C 2.297 178.960 176.600 0.106 0.000 0.994 277 E CA 1.639 58.074 56.400 0.059 0.000 0.801 277 E CB -1.269 28.485 29.700 0.090 0.000 0.743 277 E HN 0.666 nan 8.360 nan 0.000 0.453 278 G N -0.011 108.895 108.800 0.177 0.000 2.421 278 G HA2 0.133 4.094 3.960 0.001 0.000 0.217 278 G HA3 0.133 4.094 3.960 0.001 0.000 0.217 278 G C 1.981 176.993 174.900 0.187 0.000 1.143 278 G CA 1.534 46.829 45.100 0.325 0.000 0.784 278 G HN 0.831 nan 8.290 nan 0.000 0.541 279 A N 1.369 124.137 122.820 -0.086 0.000 1.858 279 A HA 0.014 4.335 4.320 0.001 0.000 0.216 279 A C 2.326 179.895 177.584 -0.026 0.000 1.190 279 A CA 1.323 53.149 52.037 -0.353 0.000 0.617 279 A CB -0.367 18.460 19.000 -0.289 0.000 0.827 279 A HN 0.244 nan 8.150 nan 0.000 0.443 280 I N 0.010 120.611 120.570 0.050 0.000 2.208 280 I HA -0.289 3.881 4.170 0.001 0.000 0.245 280 I C 2.890 179.118 176.117 0.186 0.000 1.097 280 I CA 1.695 63.115 61.300 0.202 0.000 1.363 280 I CB -1.514 36.528 38.000 0.069 0.000 1.051 280 I HN 0.394 nan 8.210 nan 0.000 0.413 281 A N 0.788 123.665 122.820 0.095 0.000 1.897 281 A HA -0.142 4.178 4.320 0.001 0.000 0.215 281 A C 2.438 180.037 177.584 0.024 0.000 1.181 281 A CA 1.843 53.926 52.037 0.076 0.000 0.620 281 A CB -0.715 18.332 19.000 0.079 0.000 0.821 281 A HN 0.541 nan 8.150 nan 0.000 0.443 282 S N -0.916 114.751 115.700 -0.054 0.000 2.489 282 S HA -0.020 4.451 4.470 0.001 0.000 0.228 282 S C 1.610 176.107 174.600 -0.172 0.000 0.995 282 S CA 1.398 59.484 58.200 -0.190 0.000 0.934 282 S CB 0.053 62.938 63.200 -0.526 0.000 0.771 282 S HN 0.471 nan 8.310 nan 0.000 0.522 283 K N 0.398 120.697 120.400 -0.169 0.000 2.306 283 K HA 0.302 4.622 4.320 0.001 0.000 0.200 283 K C 0.811 177.162 176.600 -0.415 0.000 1.083 283 K CA 0.550 56.628 56.287 -0.348 0.000 0.959 283 K CB -0.223 31.991 32.500 -0.477 0.000 0.994 283 K HN 0.399 nan 8.250 nan 0.000 0.492 284 Y N 0.522 120.839 120.300 0.028 0.000 2.458 284 Y HA 0.348 4.899 4.550 0.001 0.000 0.256 284 Y C 0.131 176.058 175.900 0.045 0.000 1.159 284 Y CA -0.518 57.605 58.100 0.038 0.000 1.261 284 Y CB 0.199 38.676 38.460 0.027 0.000 1.119 284 Y HN -0.124 nan 8.280 nan 0.000 0.524 285 R N 2.277 122.858 120.500 0.136 0.000 2.523 285 R HA -0.132 4.208 4.340 0.001 0.000 0.281 285 R C 0.536 176.905 176.300 0.115 0.000 0.969 285 R CA 0.662 56.834 56.100 0.119 0.000 1.093 285 R CB -0.252 30.117 30.300 0.115 0.000 0.917 285 R HN 0.295 nan 8.270 nan 0.000 0.408 286 N N 3.223 121.981 118.700 0.096 0.000 2.727 286 N HA -0.294 4.447 4.740 0.001 0.000 0.249 286 N C -0.854 174.720 175.510 0.106 0.000 1.048 286 N CA 1.298 54.387 53.050 0.066 0.000 0.714 286 N CB -1.203 37.298 38.487 0.023 0.000 0.959 286 N HN 0.849 nan 8.380 nan 0.000 0.544 287 N N -0.728 118.046 118.700 0.123 0.000 2.696 287 N HA -0.199 4.542 4.740 0.001 0.000 0.249 287 N C 0.791 176.378 175.510 0.128 0.000 1.090 287 N CA 2.520 55.659 53.050 0.148 0.000 0.716 287 N CB -1.450 37.108 38.487 0.119 0.000 1.020 287 N HN 1.251 nan 8.380 nan 0.000 0.548 288 G N -1.204 107.643 108.800 0.078 0.000 2.147 288 G HA2 -0.321 3.639 3.960 0.001 0.000 0.244 288 G HA3 -0.321 3.639 3.960 0.001 0.000 0.244 288 G C 0.314 175.226 174.900 0.019 0.000 1.005 288 G CA 0.530 45.623 45.100 -0.011 0.000 0.713 288 G HN 0.607 nan 8.290 nan 0.000 0.515 289 Q N 0.164 120.046 119.800 0.137 0.000 2.188 289 Q HA 0.171 4.512 4.340 0.001 0.000 0.212 289 Q C 1.131 177.284 176.000 0.256 0.000 0.846 289 Q CA 0.599 56.594 55.803 0.321 0.000 0.989 289 Q CB 0.787 29.800 28.738 0.459 0.000 1.114 289 Q HN 0.711 nan 8.270 nan 0.000 0.488 290 T N -2.784 111.849 114.554 0.131 0.000 2.918 290 T HA 0.114 4.464 4.350 0.001 0.000 0.283 290 T C 1.623 176.325 174.700 0.003 0.000 1.001 290 T CA -0.707 61.512 62.100 0.198 0.000 1.041 290 T CB 1.350 70.374 68.868 0.261 0.000 1.028 290 T HN 0.378 nan 8.240 nan 0.000 0.511 291 C N 1.601 120.954 119.300 0.088 0.000 2.422 291 C HA 0.048 4.509 4.460 0.001 0.000 0.279 291 C C 2.274 177.250 174.990 -0.023 0.000 1.305 291 C CA 0.350 59.392 59.018 0.040 0.000 1.757 291 C CB -2.063 25.753 27.740 0.127 0.000 1.962 291 C HN 0.855 nan 8.230 nan 0.000 0.499 292 V N -2.359 117.584 119.914 0.049 0.000 3.342 292 V HA 0.318 4.439 4.120 0.001 0.000 0.322 292 V C 0.715 176.871 176.094 0.103 0.000 1.370 292 V CA -0.739 61.598 62.300 0.062 0.000 1.170 292 V CB -2.079 29.823 31.823 0.130 0.000 1.101 292 V HN 0.588 nan 8.190 nan 0.000 0.442 293 C N 1.938 121.225 119.300 -0.020 0.000 2.644 293 C HA 0.342 4.803 4.460 0.001 0.000 0.417 293 C C 1.442 176.389 174.990 -0.071 0.000 1.304 293 C CA 0.406 59.389 59.018 -0.059 0.000 2.035 293 C CB 0.128 27.772 27.740 -0.160 0.000 2.673 293 C HN 0.644 nan 8.230 nan 0.000 0.602 294 T N 3.813 118.305 114.554 -0.102 0.000 2.871 294 T HA -0.042 4.309 4.350 0.001 0.000 0.296 294 T C 1.001 175.570 174.700 -0.219 0.000 0.998 294 T CA 0.726 62.712 62.100 -0.190 0.000 1.162 294 T CB 0.130 68.677 68.868 -0.535 0.000 0.947 294 T HN 0.802 nan 8.240 nan 0.000 0.536 295 N N 2.619 121.225 118.700 -0.157 0.000 2.482 295 N HA 0.081 4.822 4.740 0.001 0.000 0.179 295 N C 0.007 175.485 175.510 -0.053 0.000 1.039 295 N CA 0.417 53.412 53.050 -0.093 0.000 0.884 295 N CB 0.579 39.034 38.487 -0.053 0.000 1.113 295 N HN 0.434 nan 8.380 nan 0.000 0.440 296 R N 0.069 120.489 120.500 -0.133 0.000 2.435 296 R HA 0.268 4.608 4.340 0.001 0.000 0.308 296 R C -1.349 174.782 176.300 -0.281 0.000 0.975 296 R CA -0.623 55.346 56.100 -0.218 0.000 0.867 296 R CB 0.983 30.979 30.300 -0.506 0.000 1.171 296 R HN 0.004 nan 8.270 nan 0.000 0.470 297 F N 3.153 123.085 119.950 -0.031 0.000 2.445 297 F HA 0.281 4.808 4.527 0.001 0.000 0.359 297 F C 0.007 175.749 175.800 -0.096 0.000 1.101 297 F CA 0.047 58.077 58.000 0.050 0.000 1.177 297 F CB 0.492 39.566 39.000 0.124 0.000 1.110 297 F HN 0.334 nan 8.300 nan 0.000 0.522 298 F N 3.468 123.616 119.950 0.329 0.000 2.402 298 F HA 0.553 5.081 4.527 0.001 0.000 0.355 298 F C -0.464 175.597 175.800 0.436 0.000 1.123 298 F CA -0.960 57.220 58.000 0.300 0.000 1.021 298 F CB 1.262 40.206 39.000 -0.094 0.000 1.160 298 F HN -0.014 nan 8.300 nan 0.000 0.451 299 V N 3.155 123.469 119.914 0.666 0.000 2.555 299 V HA 0.262 4.383 4.120 0.001 0.000 0.302 299 V C 0.052 176.249 176.094 0.172 0.000 1.038 299 V CA -0.961 61.575 62.300 0.392 0.000 0.887 299 V CB 1.514 33.420 31.823 0.138 0.000 0.991 299 V HN 0.636 nan 8.190 nan 0.000 0.434 300 H N 2.374 121.229 119.070 -0.358 0.000 2.790 300 H HA 0.115 4.672 4.556 0.001 0.000 0.358 300 H C 0.951 176.138 175.328 -0.236 0.000 1.103 300 H CA 0.563 56.134 56.048 -0.795 0.000 1.426 300 H CB 1.314 30.712 29.762 -0.608 0.000 1.424 300 H HN 0.860 nan 8.280 nan 0.000 0.599 301 E N 2.994 122.918 120.200 -0.460 0.000 2.204 301 E HA -0.124 4.226 4.350 0.001 0.000 0.194 301 E C 2.128 178.783 176.600 0.092 0.000 0.989 301 E CA 0.699 57.013 56.400 -0.144 0.000 0.824 301 E CB 0.250 29.794 29.700 -0.259 0.000 0.756 301 E HN 0.584 nan 8.360 nan 0.000 0.477 302 R N -0.516 120.147 120.500 0.271 0.000 2.092 302 R HA -0.097 4.243 4.340 0.001 0.000 0.231 302 R C 2.128 178.523 176.300 0.158 0.000 1.119 302 R CA 1.577 57.795 56.100 0.197 0.000 0.970 302 R CB 0.044 30.448 30.300 0.173 0.000 0.864 302 R HN 0.220 nan 8.270 nan 0.000 0.440 303 V N -3.044 116.976 119.914 0.177 0.000 3.578 303 V HA 0.057 4.178 4.120 0.001 0.000 0.290 303 V C 1.486 177.692 176.094 0.187 0.000 1.376 303 V CA -0.074 62.317 62.300 0.151 0.000 1.083 303 V CB -0.583 31.311 31.823 0.119 0.000 0.911 303 V HN 0.164 nan 8.190 nan 0.000 0.433 304 Y N 2.598 122.949 120.300 0.085 0.000 2.081 304 Y HA -0.227 4.324 4.550 0.001 0.000 0.280 304 Y C 2.235 178.205 175.900 0.117 0.000 1.163 304 Y CA 2.586 60.747 58.100 0.101 0.000 1.135 304 Y CB -0.041 38.447 38.460 0.047 0.000 0.970 304 Y HN 0.323 nan 8.280 nan 0.000 0.498 305 D N -0.189 120.358 120.400 0.245 0.000 2.144 305 D HA -0.124 4.517 4.640 0.001 0.000 0.200 305 D C 2.215 178.535 176.300 0.034 0.000 0.978 305 D CA 1.284 55.364 54.000 0.134 0.000 0.833 305 D CB -0.562 40.322 40.800 0.139 0.000 0.961 305 D HN 0.492 nan 8.370 nan 0.000 0.470 306 A N 0.519 123.377 122.820 0.063 0.000 1.897 306 A HA -0.114 4.207 4.320 0.001 0.000 0.215 306 A C 2.040 179.636 177.584 0.020 0.000 1.181 306 A CA 0.718 52.780 52.037 0.041 0.000 0.620 306 A CB -0.866 18.175 19.000 0.069 0.000 0.821 306 A HN 0.217 nan 8.150 nan 0.000 0.443 307 F N 1.080 120.967 119.950 -0.106 0.000 2.113 307 F HA -0.003 4.525 4.527 0.001 0.000 0.297 307 F C 2.500 178.160 175.800 -0.232 0.000 1.103 307 F CA 1.063 58.971 58.000 -0.154 0.000 1.248 307 F CB -0.507 38.405 39.000 -0.147 0.000 0.999 307 F HN 0.251 nan 8.300 nan 0.000 0.475 308 A N 0.409 123.061 122.820 -0.280 0.000 1.873 308 A HA -0.256 4.065 4.320 0.001 0.000 0.218 308 A C 2.013 179.406 177.584 -0.319 0.000 1.193 308 A CA 2.254 54.065 52.037 -0.378 0.000 0.629 308 A CB -1.224 17.581 19.000 -0.325 0.000 0.826 308 A HN 0.472 nan 8.150 nan 0.000 0.447 309 D N -0.490 119.787 120.400 -0.206 0.000 2.117 309 D HA -0.115 4.526 4.640 0.001 0.000 0.197 309 D C 1.965 178.145 176.300 -0.200 0.000 0.987 309 D CA 1.445 55.348 54.000 -0.161 0.000 0.829 309 D CB -0.263 40.481 40.800 -0.093 0.000 0.961 309 D HN 0.523 nan 8.370 nan 0.000 0.460 310 K N -0.134 120.123 120.400 -0.239 0.000 2.062 310 K HA -0.073 4.247 4.320 0.001 0.000 0.205 310 K C 2.041 178.434 176.600 -0.345 0.000 1.051 310 K CA 0.250 56.391 56.287 -0.245 0.000 0.941 310 K CB -0.130 32.248 32.500 -0.202 0.000 0.719 310 K HN 0.019 nan 8.250 nan 0.000 0.440 311 L N 1.263 122.148 121.223 -0.563 0.000 1.976 311 L HA -0.128 4.212 4.340 0.001 0.000 0.209 311 L C 2.231 178.876 176.870 -0.376 0.000 1.071 311 L CA 1.939 56.424 54.840 -0.593 0.000 0.746 311 L CB -0.830 40.656 42.059 -0.954 0.000 0.890 311 L HN 0.126 nan 8.230 nan 0.000 0.432 312 A N -0.291 122.332 122.820 -0.328 0.000 1.903 312 A HA -0.271 4.049 4.320 0.001 0.000 0.219 312 A C 2.459 179.933 177.584 -0.182 0.000 1.191 312 A CA 2.571 54.476 52.037 -0.219 0.000 0.638 312 A CB -1.426 17.468 19.000 -0.177 0.000 0.823 312 A HN 0.643 nan 8.150 nan 0.000 0.451 313 A N -0.540 122.175 122.820 -0.176 0.000 1.902 313 A HA 0.152 4.473 4.320 0.001 0.000 0.217 313 A C 2.518 180.015 177.584 -0.144 0.000 1.181 313 A CA 2.275 54.228 52.037 -0.139 0.000 0.623 313 A CB -1.003 17.925 19.000 -0.121 0.000 0.818 313 A HN 1.135 nan 8.150 nan 0.000 0.443 314 A N -0.595 122.120 122.820 -0.175 0.000 1.873 314 A HA 0.036 4.357 4.320 0.001 0.000 0.215 314 A C 2.209 179.673 177.584 -0.200 0.000 1.186 314 A CA 1.660 53.596 52.037 -0.169 0.000 0.616 314 A CB -0.981 17.914 19.000 -0.177 0.000 0.823 314 A HN 0.401 nan 8.150 nan 0.000 0.442 315 V N 1.252 121.012 119.914 -0.256 0.000 2.332 315 V HA -0.264 3.857 4.120 0.001 0.000 0.248 315 V C 2.933 178.880 176.094 -0.245 0.000 1.055 315 V CA 2.414 64.504 62.300 -0.349 0.000 1.038 315 V CB -1.033 30.576 31.823 -0.357 0.000 0.651 315 V HN 0.815 nan 8.190 nan 0.000 0.450 316 S N 0.474 116.072 115.700 -0.170 0.000 2.474 316 S HA -0.096 4.375 4.470 0.001 0.000 0.235 316 S C 1.817 176.358 174.600 -0.099 0.000 0.997 316 S CA 1.322 59.452 58.200 -0.117 0.000 0.949 316 S CB -0.402 62.740 63.200 -0.096 0.000 0.766 316 S HN 0.664 nan 8.310 nan 0.000 0.517 317 K N 0.885 121.220 120.400 -0.109 0.000 2.374 317 K HA 0.536 4.856 4.320 0.001 0.000 0.196 317 K C 0.596 177.146 176.600 -0.083 0.000 1.023 317 K CA 0.075 56.312 56.287 -0.084 0.000 1.103 317 K CB -0.651 31.803 32.500 -0.076 0.000 0.848 317 K HN 0.587 nan 8.250 nan 0.000 0.528 318 L N 1.630 122.786 121.223 -0.113 0.000 2.416 318 L HA 0.229 4.570 4.340 0.001 0.000 0.272 318 L C 0.478 177.310 176.870 -0.064 0.000 1.161 318 L CA -0.377 54.401 54.840 -0.104 0.000 0.845 318 L CB 1.279 43.233 42.059 -0.175 0.000 1.119 318 L HN 0.228 nan 8.230 nan 0.000 0.464 319 K N 2.764 123.139 120.400 -0.041 0.000 2.234 319 K HA 0.406 4.727 4.320 0.001 0.000 0.277 319 K C -1.054 175.529 176.600 -0.029 0.000 1.038 319 K CA -0.581 55.689 56.287 -0.029 0.000 0.888 319 K CB 1.286 33.771 32.500 -0.024 0.000 1.091 319 K HN 0.332 nan 8.250 nan 0.000 0.467 320 V N 3.540 123.420 119.914 -0.056 0.000 2.432 320 V HA 0.618 4.739 4.120 0.001 0.000 0.275 320 V C 0.606 176.572 176.094 -0.212 0.000 1.043 320 V CA -0.190 62.040 62.300 -0.116 0.000 0.925 320 V CB 1.017 32.683 31.823 -0.262 0.000 0.985 320 V HN 1.003 nan 8.190 nan 0.000 0.466 321 G N 2.899 111.644 108.800 -0.093 0.000 2.559 321 G HA2 0.645 4.606 3.960 0.001 0.000 0.291 321 G HA3 0.645 4.606 3.960 0.001 0.000 0.291 321 G C -0.602 174.360 174.900 0.102 0.000 1.424 321 G CA -0.423 44.577 45.100 -0.167 0.000 0.786 321 G HN 0.868 nan 8.290 nan 0.000 0.485 322 R N -0.654 119.873 120.500 0.044 0.000 2.623 322 R HA 0.527 4.868 4.340 0.001 0.000 0.271 322 R C 1.750 178.125 176.300 0.125 0.000 1.043 322 R CA 0.996 57.226 56.100 0.217 0.000 1.083 322 R CB -0.275 30.089 30.300 0.108 0.000 0.974 322 R HN 2.085 nan 8.270 nan 0.000 0.436 323 G N 0.099 108.971 108.800 0.119 0.000 2.475 323 G HA2 -0.284 3.677 3.960 0.001 0.000 0.220 323 G HA3 -0.284 3.677 3.960 0.001 0.000 0.220 323 G C 1.436 176.362 174.900 0.044 0.000 1.125 323 G CA 1.635 46.777 45.100 0.069 0.000 0.755 323 G HN 0.867 nan 8.290 nan 0.000 0.565 324 T N -1.055 113.522 114.554 0.038 0.000 3.088 324 T HA 0.148 4.499 4.350 0.001 0.000 0.259 324 T C 0.902 175.611 174.700 0.014 0.000 1.122 324 T CA 0.246 62.359 62.100 0.021 0.000 1.095 324 T CB 0.201 69.079 68.868 0.015 0.000 0.930 324 T HN 0.459 nan 8.240 nan 0.000 0.508 325 E N 2.568 122.777 120.200 0.014 0.000 2.217 325 E HA 0.250 4.600 4.350 0.001 0.000 0.279 325 E C -0.192 176.409 176.600 0.003 0.000 1.068 325 E CA -0.320 56.081 56.400 0.001 0.000 0.882 325 E CB 0.508 30.200 29.700 -0.013 0.000 1.039 325 E HN 0.218 nan 8.360 nan 0.000 0.418 326 S N 3.215 118.915 115.700 -0.000 0.000 2.552 326 S HA 0.267 4.737 4.470 0.001 0.000 0.289 326 S C 1.088 175.687 174.600 -0.003 0.000 1.304 326 S CA 0.968 59.169 58.200 0.001 0.000 1.063 326 S CB 0.344 63.543 63.200 -0.001 0.000 0.848 326 S HN 0.920 nan 8.310 nan 0.000 0.499 327 G N 2.651 111.451 108.800 0.000 0.000 2.217 327 G HA2 -0.127 3.833 3.960 0.001 0.000 0.246 327 G HA3 -0.127 3.833 3.960 0.001 0.000 0.246 327 G C 0.236 175.135 174.900 -0.003 0.000 0.990 327 G CA 0.077 45.175 45.100 -0.003 0.000 0.627 327 G HN 1.523 nan 8.290 nan 0.000 0.522 328 A N 0.590 123.411 122.820 0.001 0.000 2.366 328 A HA 0.709 5.030 4.320 0.001 0.000 0.272 328 A C 1.354 178.951 177.584 0.022 0.000 1.135 328 A CA 1.343 53.384 52.037 0.007 0.000 0.804 328 A CB 0.533 19.541 19.000 0.014 0.000 1.064 328 A HN 1.359 nan 8.150 nan 0.000 0.499 329 T N 0.193 114.760 114.554 0.022 0.000 2.971 329 T HA 0.338 4.688 4.350 0.001 0.000 0.252 329 T C 0.184 174.917 174.700 0.055 0.000 1.022 329 T CA 0.202 62.322 62.100 0.033 0.000 0.980 329 T CB -0.325 68.555 68.868 0.019 0.000 1.044 329 T HN 0.332 nan 8.240 nan 0.000 0.501 330 L N 2.104 123.365 121.223 0.063 0.000 2.319 330 L HA 0.743 5.083 4.340 0.001 0.000 0.281 330 L C 0.850 177.808 176.870 0.147 0.000 1.005 330 L CA -1.019 53.880 54.840 0.098 0.000 0.828 330 L CB 1.759 43.877 42.059 0.098 0.000 1.227 330 L HN 0.288 nan 8.230 nan 0.000 0.415 331 G N 3.290 112.158 108.800 0.114 0.000 2.543 331 G HA2 0.596 4.557 3.960 0.001 0.000 0.267 331 G HA3 0.596 4.557 3.960 0.001 0.000 0.267 331 G C -2.715 172.087 174.900 -0.164 0.000 1.406 331 G CA -0.985 44.170 45.100 0.092 0.000 1.048 331 G HN 0.333 nan 8.290 nan 0.000 0.548 332 P HA 0.338 nan 4.420 nan 0.000 0.284 332 P C -0.540 176.584 177.300 -0.295 0.000 1.258 332 P CA -0.734 61.894 63.100 -0.787 0.000 0.824 332 P CB 1.492 32.530 31.700 -1.104 0.000 1.038 333 L N 2.278 123.388 121.223 -0.189 0.000 2.492 333 L HA 0.032 4.372 4.340 0.001 0.000 0.280 333 L C 2.188 178.947 176.870 -0.185 0.000 1.240 333 L CA 0.357 55.135 54.840 -0.104 0.000 0.831 333 L CB -0.855 41.172 42.059 -0.055 0.000 1.100 333 L HN 0.435 nan 8.230 nan 0.000 0.505 334 I N 1.261 121.676 120.570 -0.258 0.000 2.286 334 I HA -0.168 4.003 4.170 0.001 0.000 0.245 334 I C 0.541 176.475 176.117 -0.305 0.000 1.104 334 I CA 0.903 61.972 61.300 -0.385 0.000 1.397 334 I CB 0.068 37.552 38.000 -0.861 0.000 1.072 334 I HN 0.979 nan 8.210 nan 0.000 0.417 335 N N -2.143 116.391 118.700 -0.277 0.000 2.853 335 N HA 0.128 4.868 4.740 0.001 0.000 0.258 335 N C 0.250 175.684 175.510 -0.126 0.000 1.444 335 N CA -0.655 52.282 53.050 -0.189 0.000 0.837 335 N CB 0.323 38.678 38.487 -0.220 0.000 1.489 335 N HN -0.217 nan 8.380 nan 0.000 0.529 336 E N -0.089 120.054 120.200 -0.094 0.000 2.118 336 E HA -0.184 4.166 4.350 0.001 0.000 0.195 336 E C 1.619 178.180 176.600 -0.064 0.000 0.992 336 E CA 1.619 57.981 56.400 -0.064 0.000 0.804 336 E CB -0.452 29.211 29.700 -0.061 0.000 0.741 336 E HN 0.678 nan 8.360 nan 0.000 0.458 337 A N 1.188 123.958 122.820 -0.083 0.000 1.902 337 A HA -0.131 4.189 4.320 0.001 0.000 0.217 337 A C 2.430 179.964 177.584 -0.082 0.000 1.181 337 A CA 2.134 54.125 52.037 -0.076 0.000 0.623 337 A CB -0.613 18.338 19.000 -0.081 0.000 0.818 337 A HN 0.301 nan 8.150 nan 0.000 0.443 338 A N -0.485 122.274 122.820 -0.102 0.000 1.908 338 A HA -0.035 4.286 4.320 0.001 0.000 0.218 338 A C 2.247 179.768 177.584 -0.106 0.000 1.181 338 A CA 1.930 53.912 52.037 -0.092 0.000 0.627 338 A CB -1.031 17.907 19.000 -0.102 0.000 0.818 338 A HN 0.426 nan 8.150 nan 0.000 0.445 339 V N 0.309 120.173 119.914 -0.083 0.000 2.255 339 V HA -0.257 3.863 4.120 0.001 0.000 0.247 339 V C 3.177 179.215 176.094 -0.093 0.000 1.051 339 V CA 2.852 65.109 62.300 -0.072 0.000 1.018 339 V CB -1.351 30.508 31.823 0.059 0.000 0.641 339 V HN 0.741 nan 8.190 nan 0.000 0.445 340 K N 0.405 120.777 120.400 -0.048 0.000 2.103 340 K HA -0.266 4.055 4.320 0.001 0.000 0.207 340 K C 2.075 178.633 176.600 -0.071 0.000 1.048 340 K CA 2.188 58.456 56.287 -0.031 0.000 0.930 340 K CB -0.663 31.825 32.500 -0.019 0.000 0.716 340 K HN 0.502 nan 8.250 nan 0.000 0.444 341 K N 0.378 120.708 120.400 -0.117 0.000 2.026 341 K HA -0.060 4.261 4.320 0.001 0.000 0.208 341 K C 2.024 178.453 176.600 -0.284 0.000 1.048 341 K CA 1.615 57.787 56.287 -0.191 0.000 0.929 341 K CB -0.484 31.903 32.500 -0.189 0.000 0.713 341 K HN 0.179 nan 8.250 nan 0.000 0.439 342 V N 1.498 121.241 119.914 -0.286 0.000 2.295 342 V HA -0.234 3.887 4.120 0.001 0.000 0.246 342 V C 2.096 178.064 176.094 -0.211 0.000 1.049 342 V CA 2.123 64.220 62.300 -0.339 0.000 1.024 342 V CB -0.510 30.914 31.823 -0.665 0.000 0.648 342 V HN 0.399 nan 8.190 nan 0.000 0.447 343 E N 0.098 120.206 120.200 -0.153 0.000 2.110 343 E HA -0.219 4.131 4.350 0.001 0.000 0.193 343 E C 2.432 179.075 176.600 0.072 0.000 0.988 343 E CA 1.564 57.997 56.400 0.055 0.000 0.804 343 E CB -0.266 29.507 29.700 0.121 0.000 0.745 343 E HN 0.571 nan 8.360 nan 0.000 0.458 344 S N 0.006 115.729 115.700 0.040 0.000 2.368 344 S HA -0.192 4.278 4.470 0.001 0.000 0.225 344 S C 1.820 176.527 174.600 0.179 0.000 1.030 344 S CA 1.132 59.384 58.200 0.087 0.000 0.999 344 S CB -0.254 62.984 63.200 0.063 0.000 0.844 344 S HN 0.391 nan 8.310 nan 0.000 0.459 345 H N 0.085 119.168 119.070 0.021 0.000 2.357 345 H HA 0.022 4.579 4.556 0.001 0.000 0.301 345 H C 2.146 177.495 175.328 0.034 0.000 1.082 345 H CA 1.549 57.614 56.048 0.029 0.000 1.342 345 H CB -0.056 29.721 29.762 0.024 0.000 1.389 345 H HN 0.394 nan 8.280 nan 0.000 0.511 346 I N 0.635 121.307 120.570 0.170 0.000 2.113 346 I HA -0.263 3.907 4.170 0.001 0.000 0.238 346 I C 2.899 179.074 176.117 0.096 0.000 1.070 346 I CA 0.960 62.336 61.300 0.127 0.000 1.332 346 I CB -0.366 37.733 38.000 0.164 0.000 1.044 346 I HN 0.243 nan 8.210 nan 0.000 0.402 347 A N 0.630 123.509 122.820 0.098 0.000 1.908 347 A HA -0.338 3.983 4.320 0.001 0.000 0.218 347 A C 1.965 179.583 177.584 0.058 0.000 1.181 347 A CA 2.495 54.577 52.037 0.074 0.000 0.627 347 A CB -0.924 18.120 19.000 0.073 0.000 0.818 347 A HN 0.550 nan 8.150 nan 0.000 0.445 348 D N -0.302 120.138 120.400 0.066 0.000 2.092 348 D HA -0.092 4.549 4.640 0.001 0.000 0.193 348 D C 1.997 178.308 176.300 0.019 0.000 0.994 348 D CA 2.106 56.133 54.000 0.045 0.000 0.828 348 D CB -0.246 40.586 40.800 0.053 0.000 0.963 348 D HN 0.349 nan 8.370 nan 0.000 0.450 349 A N -0.354 122.473 122.820 0.011 0.000 1.902 349 A HA -0.078 4.243 4.320 0.001 0.000 0.217 349 A C 2.187 179.766 177.584 -0.008 0.000 1.181 349 A CA 1.179 53.205 52.037 -0.018 0.000 0.623 349 A CB -0.869 18.112 19.000 -0.031 0.000 0.818 349 A HN 0.339 nan 8.150 nan 0.000 0.443 350 L N -0.246 120.985 121.223 0.014 0.000 2.012 350 L HA -0.165 4.176 4.340 0.001 0.000 0.210 350 L C 3.001 179.878 176.870 0.011 0.000 1.073 350 L CA 2.011 56.860 54.840 0.015 0.000 0.748 350 L CB -1.007 41.070 42.059 0.030 0.000 0.891 350 L HN 0.404 nan 8.230 nan 0.000 0.431 351 A N -1.082 121.748 122.820 0.016 0.000 1.940 351 A HA -0.227 4.093 4.320 0.001 0.000 0.219 351 A C 2.165 179.754 177.584 0.007 0.000 1.176 351 A CA 1.709 53.754 52.037 0.014 0.000 0.631 351 A CB -0.432 18.580 19.000 0.020 0.000 0.814 351 A HN 0.412 nan 8.150 nan 0.000 0.446 352 K N -1.604 118.797 120.400 0.001 0.000 2.437 352 K HA 0.296 4.616 4.320 0.001 0.000 0.198 352 K C 0.812 177.405 176.600 -0.013 0.000 1.024 352 K CA 0.459 56.743 56.287 -0.005 0.000 1.148 352 K CB 0.122 32.617 32.500 -0.008 0.000 0.860 352 K HN 0.633 nan 8.250 nan 0.000 0.515 353 G N 0.333 109.126 108.800 -0.011 0.000 2.168 353 G HA2 -0.218 3.743 3.960 0.001 0.000 0.197 353 G HA3 -0.218 3.743 3.960 0.001 0.000 0.197 353 G C 0.195 175.084 174.900 -0.019 0.000 0.997 353 G CA -0.139 44.953 45.100 -0.013 0.000 0.658 353 G HN 0.411 nan 8.290 nan 0.000 0.513 354 A N -0.196 122.609 122.820 -0.025 0.000 2.259 354 A HA 0.869 5.190 4.320 0.001 0.000 0.278 354 A C 0.640 178.219 177.584 -0.008 0.000 1.107 354 A CA 0.762 52.782 52.037 -0.028 0.000 0.828 354 A CB 0.725 19.694 19.000 -0.051 0.000 1.111 354 A HN 1.290 nan 8.150 nan 0.000 0.498 355 S N -0.687 115.013 115.700 -0.001 0.000 2.536 355 S HA 0.539 5.010 4.470 0.001 0.000 0.287 355 S C -1.065 173.541 174.600 0.009 0.000 1.101 355 S CA -0.555 57.649 58.200 0.007 0.000 0.950 355 S CB 1.422 64.628 63.200 0.011 0.000 1.056 355 S HN 0.643 nan 8.310 nan 0.000 0.481 356 L N 2.453 123.682 121.223 0.010 0.000 2.292 356 L HA 0.522 4.863 4.340 0.001 0.000 0.284 356 L C 0.470 177.339 176.870 -0.001 0.000 1.065 356 L CA 0.109 54.957 54.840 0.013 0.000 0.806 356 L CB 0.919 42.991 42.059 0.021 0.000 1.175 356 L HN 0.951 nan 8.230 nan 0.000 0.431 357 M N 1.638 121.233 119.600 -0.010 0.000 2.740 357 M HA 0.177 4.658 4.480 0.001 0.000 0.253 357 M C 0.029 176.307 176.300 -0.038 0.000 1.341 357 M CA 0.308 55.589 55.300 -0.032 0.000 1.176 357 M CB 0.703 33.270 32.600 -0.055 0.000 1.310 357 M HN 0.683 nan 8.290 nan 0.000 0.531 358 T N -1.055 113.483 114.554 -0.026 0.000 2.853 358 T HA 0.565 4.916 4.350 0.001 0.000 0.311 358 T C 0.042 174.744 174.700 0.003 0.000 1.307 358 T CA 0.169 62.252 62.100 -0.028 0.000 1.019 358 T CB 1.196 70.030 68.868 -0.056 0.000 1.264 358 T HN 0.641 nan 8.240 nan 0.000 0.497 359 G N 1.975 110.771 108.800 -0.007 0.000 2.614 359 G HA2 0.170 4.131 3.960 0.001 0.000 0.303 359 G HA3 0.170 4.131 3.960 0.001 0.000 0.303 359 G C 1.076 175.982 174.900 0.010 0.000 1.270 359 G CA 1.473 46.573 45.100 0.000 0.000 0.988 359 G HN 2.390 nan 8.290 nan 0.000 0.551 360 G N -3.649 105.182 108.800 0.052 0.000 2.278 360 G HA2 0.445 4.405 3.960 0.001 0.000 0.210 360 G HA3 0.445 4.405 3.960 0.001 0.000 0.210 360 G C 0.719 175.613 174.900 -0.010 0.000 1.000 360 G CA 1.580 46.745 45.100 0.108 0.000 0.635 360 G HN 2.327 nan 8.290 nan 0.000 0.495 361 K N 0.446 120.681 120.400 -0.274 0.000 2.280 361 K HA 0.921 5.242 4.320 0.001 0.000 0.234 361 K C 0.398 176.453 176.600 -0.908 0.000 1.028 361 K CA -0.227 55.822 56.287 -0.396 0.000 0.882 361 K CB 0.529 32.907 32.500 -0.203 0.000 1.194 361 K HN 0.552 nan 8.250 nan 0.000 0.458 362 R N 1.116 121.263 120.500 -0.588 0.000 2.641 362 R HA 0.160 4.501 4.340 0.001 0.000 0.269 362 R C 0.257 176.438 176.300 -0.199 0.000 1.074 362 R CA -0.499 55.351 56.100 -0.417 0.000 1.133 362 R CB 0.373 30.639 30.300 -0.056 0.000 1.029 362 R HN 0.755 nan 8.270 nan 0.000 0.488 363 H N 1.002 120.003 119.070 -0.114 0.000 2.562 363 H HA 0.102 4.659 4.556 0.001 0.000 0.352 363 H C 0.686 176.003 175.328 -0.019 0.000 1.125 363 H CA 0.301 56.322 56.048 -0.045 0.000 1.379 363 H CB 1.605 31.398 29.762 0.053 0.000 1.464 363 H HN 0.764 nan 8.280 nan 0.000 0.563 364 A N 4.946 127.519 122.820 -0.412 0.000 1.958 364 A HA -0.236 4.084 4.320 0.001 0.000 0.221 364 A C 2.805 180.396 177.584 0.011 0.000 1.178 364 A CA 2.265 54.183 52.037 -0.199 0.000 0.642 364 A CB -1.309 17.515 19.000 -0.294 0.000 0.816 364 A HN 0.696 nan 8.150 nan 0.000 0.453 365 L N -1.533 119.805 121.223 0.191 0.000 2.549 365 L HA 0.371 4.712 4.340 0.001 0.000 0.230 365 L C 1.958 178.966 176.870 0.231 0.000 1.162 365 L CA 1.582 56.482 54.840 0.099 0.000 0.834 365 L CB -2.345 39.574 42.059 -0.234 0.000 0.947 365 L HN 1.815 nan 8.230 nan 0.000 0.452 366 G N -2.198 106.765 108.800 0.272 0.000 2.569 366 G HA2 -0.223 3.738 3.960 0.001 0.000 0.259 366 G HA3 -0.223 3.738 3.960 0.001 0.000 0.259 366 G C 0.438 175.600 174.900 0.437 0.000 1.263 366 G CA 0.865 46.128 45.100 0.271 0.000 0.928 366 G HN 1.719 nan 8.290 nan 0.000 0.572 367 H N -2.034 117.140 119.070 0.174 0.000 1.452 367 H HA -0.246 4.310 4.556 0.001 0.000 0.090 367 H C 2.098 177.469 175.328 0.072 0.000 0.615 367 H CA 3.662 59.782 56.048 0.121 0.000 1.901 367 H CB -1.385 28.470 29.762 0.155 0.000 2.257 367 H HN 1.745 nan 8.280 nan 0.000 0.961 368 G N -0.429 108.455 108.800 0.139 0.000 3.453 368 G HA2 0.333 4.294 3.960 0.001 0.000 0.263 368 G HA3 0.333 4.294 3.960 0.001 0.000 0.263 368 G C -0.589 174.264 174.900 -0.078 0.000 1.060 368 G CA -0.214 44.861 45.100 -0.042 0.000 0.793 368 G HN 0.159 nan 8.290 nan 0.000 0.532 369 F N 0.930 120.974 119.950 0.156 0.000 2.444 369 F HA 0.542 5.070 4.527 0.001 0.000 0.360 369 F C -0.217 175.717 175.800 0.225 0.000 1.106 369 F CA -0.940 57.140 58.000 0.133 0.000 1.170 369 F CB 0.749 39.775 39.000 0.044 0.000 1.113 369 F HN -0.032 nan 8.300 nan 0.000 0.521 370 F N 2.507 122.591 119.950 0.224 0.000 2.532 370 F HA 0.377 4.905 4.527 0.001 0.000 0.321 370 F C 0.017 175.933 175.800 0.193 0.000 1.089 370 F CA -0.942 57.172 58.000 0.190 0.000 0.926 370 F CB 1.247 40.321 39.000 0.123 0.000 1.168 370 F HN 0.388 nan 8.300 nan 0.000 0.459 371 E N 6.283 126.447 120.200 -0.060 0.000 2.366 371 E HA 0.130 4.481 4.350 0.001 0.000 0.266 371 E C -2.269 174.482 176.600 0.252 0.000 1.015 371 E CA -1.681 54.766 56.400 0.078 0.000 0.906 371 E CB 0.269 29.924 29.700 -0.075 0.000 0.979 371 E HN 0.195 nan 8.360 nan 0.000 0.443 372 P HA -0.034 nan 4.420 nan 0.000 0.267 372 P C -0.744 176.658 177.300 0.170 0.000 1.209 372 P CA 0.169 63.388 63.100 0.198 0.000 0.763 372 P CB 0.726 32.386 31.700 -0.066 0.000 0.816 373 T N 2.665 117.392 114.554 0.289 0.000 2.863 373 T HA 0.440 4.791 4.350 0.001 0.000 0.285 373 T C -0.358 174.451 174.700 0.182 0.000 1.009 373 T CA -0.462 61.767 62.100 0.215 0.000 0.989 373 T CB 1.347 70.383 68.868 0.280 0.000 1.004 373 T HN 0.059 nan 8.240 nan 0.000 0.455 374 V N 4.027 123.992 119.914 0.084 0.000 2.588 374 V HA 0.566 4.686 4.120 0.001 0.000 0.304 374 V C -0.802 175.299 176.094 0.012 0.000 1.042 374 V CA -0.778 61.538 62.300 0.027 0.000 0.877 374 V CB 1.793 33.578 31.823 -0.063 0.000 0.996 374 V HN 0.698 nan 8.190 nan 0.000 0.425 375 L N 4.499 125.726 121.223 0.007 0.000 2.349 375 L HA 0.612 4.952 4.340 0.001 0.000 0.278 375 L C 0.326 177.191 176.870 -0.008 0.000 0.996 375 L CA -0.319 54.522 54.840 0.002 0.000 0.825 375 L CB 2.447 44.511 42.059 0.009 0.000 1.243 375 L HN 0.766 nan 8.230 nan 0.000 0.412 376 T N -1.221 113.340 114.554 0.012 0.000 2.881 376 T HA 0.525 4.875 4.350 0.001 0.000 0.278 376 T C 1.011 175.746 174.700 0.058 0.000 0.982 376 T CA -0.016 62.134 62.100 0.085 0.000 0.989 376 T CB 1.550 70.491 68.868 0.123 0.000 1.058 376 T HN 0.912 nan 8.240 nan 0.000 0.529 377 G N -0.012 108.849 108.800 0.100 0.000 2.221 377 G HA2 -0.181 3.780 3.960 0.001 0.000 0.265 377 G HA3 -0.181 3.780 3.960 0.001 0.000 0.265 377 G C -0.037 174.803 174.900 -0.100 0.000 1.041 377 G CA -0.026 45.067 45.100 -0.012 0.000 0.807 377 G HN 0.916 nan 8.290 nan 0.000 0.502 378 V N 0.051 119.846 119.914 -0.198 0.000 2.461 378 V HA 0.730 4.851 4.120 0.001 0.000 0.275 378 V C 0.740 176.496 176.094 -0.562 0.000 1.047 378 V CA 0.573 62.602 62.300 -0.453 0.000 0.955 378 V CB 0.988 32.389 31.823 -0.704 0.000 0.988 378 V HN 0.870 nan 8.190 nan 0.000 0.471 379 K N 5.745 125.934 120.400 -0.351 0.000 2.295 379 K HA 0.694 5.014 4.320 0.001 0.000 0.239 379 K C -2.411 174.240 176.600 0.085 0.000 0.991 379 K CA -1.775 54.458 56.287 -0.090 0.000 0.845 379 K CB 0.691 33.180 32.500 -0.018 0.000 1.197 379 K HN 0.475 nan 8.250 nan 0.000 0.441 380 P HA -0.077 nan 4.420 nan 0.000 0.234 380 P C 0.248 177.665 177.300 0.195 0.000 1.167 380 P CA 0.963 64.281 63.100 0.362 0.000 0.763 380 P CB 0.317 32.193 31.700 0.294 0.000 0.835 381 D N -1.611 118.859 120.400 0.117 0.000 2.323 381 D HA -0.064 4.577 4.640 0.001 0.000 0.209 381 D C 0.671 177.003 176.300 0.053 0.000 0.973 381 D CA 0.484 54.528 54.000 0.073 0.000 0.874 381 D CB -0.648 40.181 40.800 0.048 0.000 0.930 381 D HN 0.167 nan 8.370 nan 0.000 0.521 382 M N 0.920 120.544 119.600 0.041 0.000 2.255 382 M HA 0.102 4.582 4.480 0.001 0.000 0.336 382 M C 0.776 177.078 176.300 0.003 0.000 1.135 382 M CA -0.576 54.724 55.300 0.000 0.000 1.145 382 M CB 1.003 33.567 32.600 -0.059 0.000 1.473 382 M HN -0.325 nan 8.290 nan 0.000 0.462 383 D N 1.060 121.432 120.400 -0.046 0.000 2.123 383 D HA -0.147 4.494 4.640 0.001 0.000 0.196 383 D C 1.826 178.006 176.300 -0.200 0.000 0.992 383 D CA 1.190 55.144 54.000 -0.077 0.000 0.833 383 D CB -0.188 40.583 40.800 -0.048 0.000 0.954 383 D HN 0.471 nan 8.370 nan 0.000 0.455 384 V N 0.918 120.583 119.914 -0.415 0.000 2.828 384 V HA -0.207 3.914 4.120 0.001 0.000 0.260 384 V C 2.037 178.148 176.094 0.028 0.000 1.101 384 V CA 1.828 63.885 62.300 -0.404 0.000 1.123 384 V CB -0.511 31.134 31.823 -0.296 0.000 0.704 384 V HN 0.191 nan 8.190 nan 0.000 0.493 385 A N -0.634 122.282 122.820 0.160 0.000 2.121 385 A HA -0.010 4.311 4.320 0.001 0.000 0.218 385 A C 2.222 179.899 177.584 0.154 0.000 1.154 385 A CA 2.073 54.273 52.037 0.272 0.000 0.679 385 A CB -0.425 18.796 19.000 0.368 0.000 0.795 385 A HN 0.680 nan 8.150 nan 0.000 0.458 386 K N -0.354 120.125 120.400 0.130 0.000 2.474 386 K HA 0.300 4.621 4.320 0.001 0.000 0.202 386 K C 0.428 177.166 176.600 0.230 0.000 1.248 386 K CA 0.502 56.889 56.287 0.168 0.000 0.946 386 K CB 0.142 32.722 32.500 0.133 0.000 1.102 386 K HN 0.633 nan 8.250 nan 0.000 0.541 387 E N 0.887 121.204 120.200 0.194 0.000 2.214 387 E HA 0.281 4.632 4.350 0.001 0.000 0.274 387 E C -1.077 175.678 176.600 0.259 0.000 0.977 387 E CA -0.745 55.815 56.400 0.267 0.000 0.827 387 E CB 1.797 31.728 29.700 0.385 0.000 1.130 387 E HN 0.386 nan 8.360 nan 0.000 0.394 388 E N 0.841 121.153 120.200 0.187 0.000 2.360 388 E HA 0.020 4.370 4.350 0.001 0.000 0.269 388 E C 0.281 177.040 176.600 0.264 0.000 1.022 388 E CA 0.106 56.581 56.400 0.125 0.000 0.887 388 E CB 0.967 30.689 29.700 0.037 0.000 0.990 388 E HN 0.449 nan 8.360 nan 0.000 0.426 389 T N 2.579 117.242 114.554 0.181 0.000 2.852 389 T HA -0.059 4.291 4.350 0.001 0.000 0.256 389 T C 0.319 175.121 174.700 0.170 0.000 1.038 389 T CA 0.221 62.403 62.100 0.136 0.000 1.141 389 T CB -0.152 68.814 68.868 0.163 0.000 0.869 389 T HN 0.610 nan 8.240 nan 0.000 0.439 390 F N 0.834 120.789 119.950 0.008 0.000 3.071 390 F HA -0.104 4.424 4.527 0.001 0.000 0.295 390 F C 0.717 176.531 175.800 0.024 0.000 0.919 390 F CA 0.336 58.356 58.000 0.033 0.000 1.050 390 F CB -1.455 37.593 39.000 0.080 0.000 1.040 390 F HN 0.395 nan 8.300 nan 0.000 0.692 391 G N -0.939 107.908 108.800 0.079 0.000 2.649 391 G HA2 0.657 4.617 3.960 0.001 0.000 0.290 391 G HA3 0.657 4.617 3.960 0.001 0.000 0.290 391 G C -3.133 171.783 174.900 0.025 0.000 1.426 391 G CA -1.064 44.058 45.100 0.037 0.000 0.794 391 G HN -0.221 nan 8.290 nan 0.000 0.483 392 P HA 0.278 nan 4.420 nan 0.000 0.237 392 P C -0.866 176.580 177.300 0.244 0.000 1.788 392 P CA -0.129 63.100 63.100 0.216 0.000 1.061 392 P CB 0.303 32.260 31.700 0.427 0.000 1.967 393 L N 1.712 122.982 121.223 0.079 0.000 2.372 393 L HA 0.708 5.049 4.340 0.001 0.000 0.274 393 L C -0.806 176.127 176.870 0.104 0.000 0.988 393 L CA -1.130 53.786 54.840 0.128 0.000 0.833 393 L CB 1.676 43.801 42.059 0.110 0.000 1.236 393 L HN 0.115 nan 8.230 nan 0.000 0.410 394 A N 7.242 130.160 122.820 0.163 0.000 2.366 394 A HA 0.786 5.107 4.320 0.001 0.000 0.322 394 A C -2.567 175.119 177.584 0.169 0.000 1.397 394 A CA -1.244 50.917 52.037 0.208 0.000 0.984 394 A CB -0.324 18.712 19.000 0.059 0.000 1.149 394 A HN 0.539 nan 8.150 nan 0.000 0.540 395 P HA 0.389 nan 4.420 nan 0.000 0.297 395 P C -0.815 176.613 177.300 0.214 0.000 1.342 395 P CA -0.143 63.040 63.100 0.138 0.000 0.801 395 P CB 0.996 32.763 31.700 0.112 0.000 0.920 396 L N 4.829 126.105 121.223 0.088 0.000 2.259 396 L HA 0.409 4.749 4.340 0.001 0.000 0.288 396 L C 0.460 177.447 176.870 0.195 0.000 1.051 396 L CA -0.530 54.426 54.840 0.192 0.000 0.824 396 L CB -0.255 41.835 42.059 0.053 0.000 1.206 396 L HN 0.246 nan 8.230 nan 0.000 0.429 397 F N 2.328 122.320 119.950 0.071 0.000 2.364 397 F HA 0.600 5.128 4.527 0.001 0.000 0.316 397 F C 0.624 176.608 175.800 0.306 0.000 1.133 397 F CA -0.602 57.424 58.000 0.043 0.000 1.051 397 F CB 0.895 39.658 39.000 -0.394 0.000 1.342 397 F HN 0.399 nan 8.300 nan 0.000 0.507 398 R N 1.490 122.294 120.500 0.505 0.000 2.604 398 R HA 0.524 4.864 4.340 0.001 0.000 0.281 398 R C -2.072 174.471 176.300 0.405 0.000 1.020 398 R CA -0.491 55.798 56.100 0.314 0.000 0.899 398 R CB 1.723 31.951 30.300 -0.121 0.000 1.205 398 R HN 0.686 nan 8.270 nan 0.000 0.450 399 F N 0.959 120.962 119.950 0.087 0.000 2.626 399 F HA 0.813 5.340 4.527 0.001 0.000 0.311 399 F C -0.566 175.109 175.800 -0.208 0.000 1.088 399 F CA -0.440 57.554 58.000 -0.011 0.000 0.949 399 F CB 1.827 40.834 39.000 0.011 0.000 1.322 399 F HN 0.504 nan 8.300 nan 0.000 0.461 400 A N 0.750 123.454 122.820 -0.194 0.000 1.999 400 A HA 0.478 4.798 4.320 0.001 0.000 0.200 400 A C 0.580 178.089 177.584 -0.126 0.000 1.363 400 A CA 0.797 52.599 52.037 -0.391 0.000 0.844 400 A CB -0.714 18.190 19.000 -0.160 0.000 0.954 400 A HN 0.960 nan 8.150 nan 0.000 0.481 401 S N -1.319 114.487 115.700 0.177 0.000 2.726 401 S HA 0.504 4.975 4.470 0.001 0.000 0.308 401 S C 0.448 175.313 174.600 0.442 0.000 1.115 401 S CA 0.094 58.468 58.200 0.291 0.000 0.965 401 S CB 1.755 65.060 63.200 0.175 0.000 1.145 401 S HN 0.289 nan 8.310 nan 0.000 0.532 402 E N 0.089 120.522 120.200 0.390 0.000 2.107 402 E HA -0.129 4.221 4.350 0.001 0.000 0.191 402 E C 1.744 178.453 176.600 0.182 0.000 0.982 402 E CA 0.629 57.251 56.400 0.369 0.000 0.809 402 E CB -0.076 29.787 29.700 0.272 0.000 0.756 402 E HN 0.738 nan 8.360 nan 0.000 0.459 403 E N 0.972 121.249 120.200 0.128 0.000 2.058 403 E HA -0.266 4.085 4.350 0.001 0.000 0.194 403 E C 1.922 178.543 176.600 0.035 0.000 0.997 403 E CA 1.221 57.661 56.400 0.066 0.000 0.801 403 E CB -0.031 29.703 29.700 0.058 0.000 0.746 403 E HN 0.328 nan 8.360 nan 0.000 0.450 404 E N 0.209 120.446 120.200 0.062 0.000 2.077 404 E HA -0.199 4.152 4.350 0.001 0.000 0.193 404 E C 2.461 179.008 176.600 -0.087 0.000 0.989 404 E CA 1.010 57.426 56.400 0.027 0.000 0.800 404 E CB -0.126 29.633 29.700 0.097 0.000 0.746 404 E HN 0.194 nan 8.360 nan 0.000 0.452 405 L N 0.341 121.474 121.223 -0.150 0.000 2.056 405 L HA -0.145 4.196 4.340 0.001 0.000 0.207 405 L C 2.246 178.858 176.870 -0.431 0.000 1.078 405 L CA 1.097 55.620 54.840 -0.529 0.000 0.749 405 L CB -0.163 41.350 42.059 -0.910 0.000 0.901 405 L HN -0.005 nan 8.230 nan 0.000 0.433 406 V N -0.035 119.754 119.914 -0.208 0.000 2.343 406 V HA -0.295 3.825 4.120 0.001 0.000 0.247 406 V C 2.760 178.764 176.094 -0.150 0.000 1.051 406 V CA 2.172 64.383 62.300 -0.148 0.000 1.036 406 V CB -0.777 31.012 31.823 -0.057 0.000 0.654 406 V HN 0.497 nan 8.190 nan 0.000 0.451 407 R N -0.588 119.836 120.500 -0.127 0.000 2.080 407 R HA -0.182 4.159 4.340 0.001 0.000 0.236 407 R C 2.239 178.453 176.300 -0.144 0.000 1.137 407 R CA 1.699 57.738 56.100 -0.102 0.000 0.943 407 R CB -0.297 29.966 30.300 -0.062 0.000 0.846 407 R HN 0.308 nan 8.270 nan 0.000 0.431 408 L N 0.233 121.311 121.223 -0.240 0.000 2.056 408 L HA -0.057 4.284 4.340 0.001 0.000 0.207 408 L C 2.448 179.096 176.870 -0.371 0.000 1.078 408 L CA 2.007 56.666 54.840 -0.303 0.000 0.749 408 L CB -1.198 40.576 42.059 -0.475 0.000 0.901 408 L HN 0.274 nan 8.230 nan 0.000 0.433 409 A N -0.537 121.974 122.820 -0.515 0.000 1.930 409 A HA -0.167 4.154 4.320 0.001 0.000 0.217 409 A C 1.935 179.513 177.584 -0.010 0.000 1.175 409 A CA 1.609 53.447 52.037 -0.332 0.000 0.627 409 A CB -0.494 18.271 19.000 -0.391 0.000 0.815 409 A HN 0.477 nan 8.150 nan 0.000 0.443 410 N N 0.236 118.915 118.700 -0.034 0.000 2.461 410 N HA -0.019 4.722 4.740 0.001 0.000 0.188 410 N C -0.093 175.389 175.510 -0.047 0.000 1.134 410 N CA 0.533 53.578 53.050 -0.008 0.000 0.878 410 N CB -0.172 38.295 38.487 -0.032 0.000 0.972 410 N HN 0.455 nan 8.380 nan 0.000 0.456 411 D N 0.641 121.014 120.400 -0.045 0.000 2.767 411 D HA 0.060 4.701 4.640 0.001 0.000 0.231 411 D C -0.606 175.685 176.300 -0.014 0.000 1.105 411 D CA 0.195 54.174 54.000 -0.034 0.000 1.024 411 D CB -0.222 40.564 40.800 -0.024 0.000 1.123 411 D HN -0.070 nan 8.370 nan 0.000 0.470 412 T N -1.214 113.313 114.554 -0.045 0.000 2.830 412 T HA 0.469 4.819 4.350 0.001 0.000 0.322 412 T C 0.761 175.351 174.700 -0.183 0.000 1.501 412 T CA 0.125 62.189 62.100 -0.059 0.000 1.036 412 T CB 0.996 69.906 68.868 0.070 0.000 1.379 412 T HN -0.018 nan 8.240 nan 0.000 0.493 413 E N 1.730 121.714 120.200 -0.360 0.000 2.358 413 E HA 0.267 4.618 4.350 0.001 0.000 0.195 413 E C 0.201 176.494 176.600 -0.511 0.000 1.010 413 E CA 0.812 56.920 56.400 -0.487 0.000 0.856 413 E CB -0.315 29.009 29.700 -0.628 0.000 0.795 413 E HN 0.508 nan 8.360 nan 0.000 0.504 414 F N -0.844 119.042 119.950 -0.106 0.000 2.370 414 F HA 0.612 5.140 4.527 0.001 0.000 0.319 414 F C 1.390 176.987 175.800 -0.339 0.000 1.129 414 F CA -0.423 57.490 58.000 -0.144 0.000 1.109 414 F CB 2.048 41.013 39.000 -0.060 0.000 1.262 414 F HN -0.011 nan 8.300 nan 0.000 0.534 415 G N 1.062 109.752 108.800 -0.182 0.000 4.809 415 G HA2 0.302 4.263 3.960 0.001 0.000 0.225 415 G HA3 0.302 4.263 3.960 0.001 0.000 0.225 415 G C -0.461 174.266 174.900 -0.290 0.000 1.929 415 G CA -0.186 44.515 45.100 -0.665 0.000 0.616 415 G HN 0.559 nan 8.290 nan 0.000 0.286 416 L N 0.973 122.174 121.223 -0.037 0.000 2.255 416 L HA 0.874 5.215 4.340 0.001 0.000 0.196 416 L C 1.319 178.182 176.870 -0.012 0.000 1.202 416 L CA 1.438 56.245 54.840 -0.054 0.000 0.819 416 L CB -0.147 41.863 42.059 -0.082 0.000 1.006 416 L HN 0.340 nan 8.230 nan 0.000 0.480 417 A N -0.923 121.884 122.820 -0.023 0.000 2.340 417 A HA 0.856 5.177 4.320 0.001 0.000 0.331 417 A C -1.000 176.333 177.584 -0.417 0.000 1.140 417 A CA 0.050 51.932 52.037 -0.258 0.000 0.801 417 A CB 1.028 19.836 19.000 -0.321 0.000 1.234 417 A HN 0.589 nan 8.150 nan 0.000 0.469 418 A N 0.472 122.826 122.820 -0.777 0.000 2.572 418 A HA 0.783 5.103 4.320 0.001 0.000 0.295 418 A C -1.775 175.253 177.584 -0.928 0.000 1.072 418 A CA -0.436 51.080 52.037 -0.869 0.000 0.691 418 A CB 0.978 19.305 19.000 -1.122 0.000 1.291 418 A HN 0.884 nan 8.150 nan 0.000 0.404 419 Y N -0.112 119.970 120.300 -0.363 0.000 2.477 419 Y HA 0.682 5.233 4.550 0.001 0.000 0.347 419 Y C -0.538 175.090 175.900 -0.454 0.000 0.981 419 Y CA -0.816 57.033 58.100 -0.418 0.000 1.033 419 Y CB 2.391 40.536 38.460 -0.525 0.000 1.245 419 Y HN 0.679 nan 8.280 nan 0.000 0.455 420 L N 3.415 124.501 121.223 -0.229 0.000 2.439 420 L HA 0.586 4.927 4.340 0.001 0.000 0.270 420 L C -2.305 174.497 176.870 -0.113 0.000 0.972 420 L CA -0.797 53.971 54.840 -0.118 0.000 0.836 420 L CB 1.054 43.048 42.059 -0.107 0.000 1.255 420 L HN 0.600 nan 8.230 nan 0.000 0.404 421 Y N 3.819 124.100 120.300 -0.032 0.000 2.345 421 Y HA 0.748 5.299 4.550 0.001 0.000 0.331 421 Y C 0.185 176.187 175.900 0.169 0.000 0.959 421 Y CA -0.076 58.052 58.100 0.046 0.000 1.204 421 Y CB 2.065 40.563 38.460 0.063 0.000 1.135 421 Y HN 0.744 nan 8.280 nan 0.000 0.477 422 S N 2.372 118.179 115.700 0.179 0.000 2.567 422 S HA 0.480 4.951 4.470 0.001 0.000 0.270 422 S C -0.313 174.310 174.600 0.038 0.000 1.152 422 S CA -0.732 57.544 58.200 0.125 0.000 0.835 422 S CB 1.602 64.796 63.200 -0.010 0.000 1.115 422 S HN 0.653 nan 8.310 nan 0.000 0.459 423 R N 1.150 121.668 120.500 0.030 0.000 2.254 423 R HA 0.375 4.716 4.340 0.001 0.000 0.193 423 R C -0.444 175.853 176.300 -0.004 0.000 0.929 423 R CA 0.282 56.394 56.100 0.020 0.000 1.038 423 R CB -0.088 30.235 30.300 0.039 0.000 1.009 423 R HN 0.687 nan 8.270 nan 0.000 0.512 424 D N 0.393 120.774 120.400 -0.032 0.000 2.336 424 D HA 0.001 4.641 4.640 0.001 0.000 0.249 424 D C 1.450 177.736 176.300 -0.024 0.000 1.213 424 D CA -0.010 53.968 54.000 -0.037 0.000 0.870 424 D CB 0.504 41.266 40.800 -0.063 0.000 1.076 424 D HN -0.060 nan 8.370 nan 0.000 0.483 425 I N 4.037 124.616 120.570 0.015 0.000 2.151 425 I HA -0.209 3.962 4.170 0.001 0.000 0.243 425 I C 1.724 177.911 176.117 0.116 0.000 1.080 425 I CA 1.701 63.048 61.300 0.078 0.000 1.339 425 I CB -0.697 37.348 38.000 0.075 0.000 1.039 425 I HN 0.619 nan 8.210 nan 0.000 0.409 426 G N 0.456 109.279 108.800 0.038 0.000 2.418 426 G HA2 -0.307 3.654 3.960 0.001 0.000 0.217 426 G HA3 -0.307 3.654 3.960 0.001 0.000 0.217 426 G C 1.863 176.777 174.900 0.023 0.000 1.158 426 G CA 0.841 45.955 45.100 0.024 0.000 0.771 426 G HN 0.405 nan 8.290 nan 0.000 0.545 427 R N -0.067 120.403 120.500 -0.051 0.000 2.081 427 R HA -0.034 4.306 4.340 0.001 0.000 0.235 427 R C 2.643 178.865 176.300 -0.129 0.000 1.131 427 R CA 1.462 57.473 56.100 -0.149 0.000 0.960 427 R CB -0.442 29.675 30.300 -0.305 0.000 0.856 427 R HN 0.232 nan 8.270 nan 0.000 0.436 428 V N 0.040 119.906 119.914 -0.079 0.000 2.231 428 V HA -0.295 3.826 4.120 0.001 0.000 0.248 428 V C 1.971 178.034 176.094 -0.051 0.000 1.054 428 V CA 2.222 64.475 62.300 -0.079 0.000 1.015 428 V CB -0.713 31.071 31.823 -0.066 0.000 0.638 428 V HN 0.477 nan 8.190 nan 0.000 0.444 429 W N 0.177 121.424 121.300 -0.088 0.000 2.335 429 W HA -0.121 4.540 4.660 0.001 0.000 0.311 429 W C 2.832 179.312 176.519 -0.065 0.000 1.213 429 W CA 1.835 59.139 57.345 -0.069 0.000 1.274 429 W CB -0.409 29.017 29.460 -0.057 0.000 1.148 429 W HN 0.050 nan 8.180 nan 0.000 0.498 430 R N -0.399 120.203 120.500 0.170 0.000 2.094 430 R HA -0.202 4.138 4.340 0.001 0.000 0.239 430 R C 1.868 178.186 176.300 0.029 0.000 1.137 430 R CA 2.220 58.367 56.100 0.078 0.000 0.943 430 R CB -1.222 29.095 30.300 0.028 0.000 0.850 430 R HN 0.118 nan 8.270 nan 0.000 0.433 431 V N 0.656 120.564 119.914 -0.011 0.000 2.453 431 V HA -0.176 3.944 4.120 0.001 0.000 0.247 431 V C 2.394 178.457 176.094 -0.050 0.000 1.048 431 V CA 1.745 64.037 62.300 -0.014 0.000 1.049 431 V CB -0.641 31.196 31.823 0.023 0.000 0.672 431 V HN 0.420 nan 8.190 nan 0.000 0.457 432 A N -0.369 122.395 122.820 -0.094 0.000 1.972 432 A HA -0.239 4.081 4.320 0.001 0.000 0.219 432 A C 2.180 179.697 177.584 -0.111 0.000 1.169 432 A CA 1.901 53.844 52.037 -0.156 0.000 0.635 432 A CB -0.369 18.462 19.000 -0.283 0.000 0.810 432 A HN 0.640 nan 8.150 nan 0.000 0.446 433 E N -0.659 119.514 120.200 -0.046 0.000 2.122 433 E HA 0.053 4.403 4.350 0.001 0.000 0.190 433 E C 2.208 178.805 176.600 -0.005 0.000 0.977 433 E CA 0.674 57.071 56.400 -0.005 0.000 0.820 433 E CB -0.163 29.578 29.700 0.068 0.000 0.770 433 E HN 0.601 nan 8.360 nan 0.000 0.462 434 A N 1.044 123.862 122.820 -0.003 0.000 2.016 434 A HA 0.010 4.330 4.320 0.001 0.000 0.217 434 A C 1.148 178.730 177.584 -0.003 0.000 1.162 434 A CA 0.202 52.237 52.037 -0.004 0.000 0.662 434 A CB -0.297 18.701 19.000 -0.002 0.000 0.812 434 A HN 0.083 nan 8.150 nan 0.000 0.450 435 L N 1.441 122.664 121.223 -0.000 0.000 2.462 435 L HA 0.050 4.390 4.340 0.001 0.000 0.272 435 L C -0.022 176.921 176.870 0.122 0.000 1.166 435 L CA -0.010 54.871 54.840 0.069 0.000 0.880 435 L CB 0.471 42.528 42.059 -0.004 0.000 1.142 435 L HN 0.334 nan 8.230 nan 0.000 0.473 436 E N 4.862 125.138 120.200 0.127 0.000 1.964 436 E HA 0.246 4.597 4.350 0.001 0.000 0.264 436 E C -1.422 175.003 176.600 -0.292 0.000 1.120 436 E CA -0.068 56.290 56.400 -0.070 0.000 1.061 436 E CB 0.232 29.840 29.700 -0.154 0.000 1.190 436 E HN 0.370 nan 8.360 nan 0.000 0.459 437 Y N -1.288 118.935 120.300 -0.128 0.000 2.544 437 Y HA 0.300 4.851 4.550 0.001 0.000 0.342 437 Y C 1.266 177.060 175.900 -0.175 0.000 1.062 437 Y CA -1.111 56.896 58.100 -0.154 0.000 1.023 437 Y CB 1.840 40.187 38.460 -0.189 0.000 1.308 437 Y HN 0.326 nan 8.280 nan 0.000 0.457 438 G N 1.356 110.113 108.800 -0.072 0.000 2.511 438 G HA2 0.062 4.022 3.960 0.001 0.000 0.217 438 G HA3 0.062 4.022 3.960 0.001 0.000 0.217 438 G C 0.095 174.891 174.900 -0.173 0.000 1.133 438 G CA 0.483 45.498 45.100 -0.140 0.000 0.792 438 G HN 0.423 nan 8.290 nan 0.000 0.539 439 M N 0.299 119.789 119.600 -0.183 0.000 2.326 439 M HA 0.467 4.948 4.480 0.001 0.000 0.292 439 M C -1.785 174.335 176.300 -0.301 0.000 1.081 439 M CA -0.497 54.652 55.300 -0.252 0.000 0.919 439 M CB 3.506 35.906 32.600 -0.334 0.000 1.634 439 M HN -0.252 nan 8.290 nan 0.000 0.451 440 V N 1.628 121.360 119.914 -0.303 0.000 2.524 440 V HA 0.606 4.727 4.120 0.001 0.000 0.297 440 V C 0.180 176.081 176.094 -0.322 0.000 1.035 440 V CA -0.844 61.239 62.300 -0.362 0.000 0.867 440 V CB 1.866 33.511 31.823 -0.296 0.000 1.004 440 V HN 1.010 nan 8.190 nan 0.000 0.426 441 G N 4.778 113.357 108.800 -0.369 0.000 2.355 441 G HA2 0.631 4.592 3.960 0.001 0.000 0.276 441 G HA3 0.631 4.592 3.960 0.001 0.000 0.276 441 G C -0.576 174.200 174.900 -0.207 0.000 1.198 441 G CA -0.273 44.727 45.100 -0.167 0.000 0.876 441 G HN 0.649 nan 8.290 nan 0.000 0.478 442 I N 2.694 123.127 120.570 -0.227 0.000 2.354 442 I HA 0.164 4.335 4.170 0.001 0.000 0.286 442 I C 0.013 175.907 176.117 -0.372 0.000 1.007 442 I CA -0.741 60.387 61.300 -0.287 0.000 1.167 442 I CB 1.274 39.127 38.000 -0.245 0.000 1.320 442 I HN 0.502 nan 8.210 nan 0.000 0.458 443 N N 2.235 120.521 118.700 -0.689 0.000 2.714 443 N HA -0.180 4.561 4.740 0.001 0.000 0.250 443 N C -0.122 174.916 175.510 -0.786 0.000 1.117 443 N CA 1.282 53.672 53.050 -1.100 0.000 0.719 443 N CB -0.848 37.367 38.487 -0.454 0.000 1.081 443 N HN 0.721 nan 8.380 nan 0.000 0.557 444 T N -2.704 111.546 114.554 -0.506 0.000 2.868 444 T HA 0.630 4.980 4.350 0.001 0.000 0.306 444 T C 0.790 175.630 174.700 0.233 0.000 1.224 444 T CA 0.151 62.255 62.100 0.007 0.000 1.012 444 T CB 1.668 70.547 68.868 0.019 0.000 1.221 444 T HN 0.071 nan 8.240 nan 0.000 0.499 445 G N 1.501 110.466 108.800 0.275 0.000 3.228 445 G HA2 0.398 4.359 3.960 0.001 0.000 0.245 445 G HA3 0.398 4.359 3.960 0.001 0.000 0.245 445 G C -0.209 174.739 174.900 0.080 0.000 1.051 445 G CA -0.106 45.046 45.100 0.087 0.000 0.809 445 G HN 0.556 nan 8.290 nan 0.000 0.531 446 L N 1.681 122.998 121.223 0.155 0.000 2.343 446 L HA 0.502 4.843 4.340 0.001 0.000 0.278 446 L C 0.680 177.621 176.870 0.119 0.000 0.996 446 L CA -0.672 54.242 54.840 0.123 0.000 0.831 446 L CB 1.833 43.931 42.059 0.065 0.000 1.232 446 L HN 0.260 nan 8.230 nan 0.000 0.413 447 I N -2.360 118.289 120.570 0.131 0.000 4.526 447 I HA 0.276 4.446 4.170 0.001 0.000 0.330 447 I C 0.389 176.542 176.117 0.060 0.000 1.323 447 I CA -0.020 61.327 61.300 0.078 0.000 1.218 447 I CB 1.076 39.109 38.000 0.056 0.000 1.233 447 I HN 0.306 nan 8.210 nan 0.000 0.430 448 S N 3.253 118.991 115.700 0.064 0.000 2.474 448 S HA 0.426 4.896 4.470 0.001 0.000 0.276 448 S C -0.342 174.268 174.600 0.015 0.000 1.227 448 S CA -0.353 57.904 58.200 0.094 0.000 1.050 448 S CB 0.309 63.526 63.200 0.030 0.000 0.939 448 S HN 0.764 nan 8.310 nan 0.000 0.490 449 N N 1.041 119.800 118.700 0.097 0.000 3.344 449 N HA 0.313 5.054 4.740 0.001 0.000 0.296 449 N C 0.157 175.582 175.510 -0.142 0.000 1.571 449 N CA -0.895 52.158 53.050 0.004 0.000 0.844 449 N CB 0.473 38.898 38.487 -0.104 0.000 1.718 449 N HN 0.328 nan 8.380 nan 0.000 0.589 450 E N -0.377 119.506 120.200 -0.527 0.000 2.415 450 E HA -0.005 4.346 4.350 0.001 0.000 0.197 450 E C 0.914 176.832 176.600 -1.138 0.000 1.007 450 E CA 0.611 56.436 56.400 -0.959 0.000 0.890 450 E CB -0.020 28.860 29.700 -1.366 0.000 0.891 450 E HN 0.400 nan 8.360 nan 0.000 0.496 451 V N 0.204 119.568 119.914 -0.915 0.000 3.506 451 V HA 0.424 4.545 4.120 0.001 0.000 0.263 451 V C 0.801 176.692 176.094 -0.340 0.000 1.203 451 V CA 0.552 62.305 62.300 -0.911 0.000 1.133 451 V CB -0.094 31.354 31.823 -0.626 0.000 0.802 451 V HN 0.297 nan 8.190 nan 0.000 0.459 452 A N 2.426 125.121 122.820 -0.207 0.000 2.305 452 A HA 0.811 5.131 4.320 0.001 0.000 0.322 452 A C -2.707 174.901 177.584 0.040 0.000 1.187 452 A CA -1.912 50.098 52.037 -0.046 0.000 0.825 452 A CB 0.669 19.652 19.000 -0.029 0.000 1.164 452 A HN 0.363 nan 8.150 nan 0.000 0.498 453 P HA 0.213 nan 4.420 nan 0.000 0.276 453 P C -1.121 176.232 177.300 0.088 0.000 1.253 453 P CA 0.280 63.430 63.100 0.084 0.000 0.766 453 P CB 0.294 31.956 31.700 -0.064 0.000 0.845 454 F N 3.968 123.922 119.950 0.007 0.000 2.427 454 F HA 0.692 5.220 4.527 0.001 0.000 0.346 454 F C 0.277 176.064 175.800 -0.021 0.000 1.120 454 F CA 0.463 58.460 58.000 -0.005 0.000 1.033 454 F CB 1.520 40.542 39.000 0.036 0.000 1.126 454 F HN 0.631 nan 8.300 nan 0.000 0.462 455 G N 2.687 111.284 108.800 -0.337 0.000 2.321 455 G HA2 0.452 4.412 3.960 0.001 0.000 0.298 455 G HA3 0.452 4.412 3.960 0.001 0.000 0.298 455 G C -1.499 173.255 174.900 -0.245 0.000 1.385 455 G CA -0.258 44.730 45.100 -0.186 0.000 0.856 455 G HN 1.024 nan 8.290 nan 0.000 0.584 456 G N -1.769 106.942 108.800 -0.148 0.000 2.932 456 G HA2 0.988 4.948 3.960 0.001 0.000 0.283 456 G HA3 0.988 4.948 3.960 0.001 0.000 0.283 456 G C -0.109 174.728 174.900 -0.105 0.000 1.336 456 G CA 0.159 45.177 45.100 -0.136 0.000 1.056 456 G HN 1.930 nan 8.290 nan 0.000 0.522 457 V N -3.160 116.680 119.914 -0.123 0.000 3.181 457 V HA 0.863 4.983 4.120 0.001 0.000 0.314 457 V C 0.657 176.683 176.094 -0.114 0.000 1.173 457 V CA -0.389 61.842 62.300 -0.115 0.000 1.052 457 V CB 1.055 32.797 31.823 -0.134 0.000 1.123 457 V HN 1.082 nan 8.190 nan 0.000 0.454 458 K N -0.918 119.420 120.400 -0.105 0.000 1.791 458 K HA -0.228 4.092 4.320 0.001 0.000 0.140 458 K C 1.062 177.620 176.600 -0.070 0.000 1.312 458 K CA 1.871 58.094 56.287 -0.107 0.000 0.382 458 K CB -1.256 31.149 32.500 -0.159 0.000 0.635 458 K HN 0.832 nan 8.250 nan 0.000 0.838 459 Q N 0.519 120.272 119.800 -0.078 0.000 2.365 459 Q HA 0.144 4.485 4.340 0.001 0.000 0.203 459 Q C 1.241 177.327 176.000 0.143 0.000 0.929 459 Q CA 0.757 56.552 55.803 -0.014 0.000 0.948 459 Q CB 0.743 29.391 28.738 -0.149 0.000 1.043 459 Q HN 0.368 nan 8.270 nan 0.000 0.505 460 S N -0.330 115.438 115.700 0.113 0.000 2.496 460 S HA 0.264 4.735 4.470 0.001 0.000 0.224 460 S C 0.940 175.579 174.600 0.064 0.000 0.996 460 S CA 0.602 58.874 58.200 0.119 0.000 0.927 460 S CB 0.429 63.655 63.200 0.043 0.000 0.774 460 S HN 0.611 nan 8.310 nan 0.000 0.524 461 G N 0.258 109.080 108.800 0.038 0.000 2.302 461 G HA2 0.179 4.140 3.960 0.001 0.000 0.276 461 G HA3 0.179 4.140 3.960 0.001 0.000 0.276 461 G C -2.150 172.756 174.900 0.011 0.000 1.316 461 G CA -1.094 44.030 45.100 0.039 0.000 0.988 461 G HN 0.188 nan 8.290 nan 0.000 0.479 462 L N 0.577 121.812 121.223 0.019 0.000 2.408 462 L HA 0.733 5.073 4.340 0.001 0.000 0.268 462 L C 0.754 177.630 176.870 0.009 0.000 0.986 462 L CA 0.181 55.024 54.840 0.005 0.000 0.820 462 L CB 1.806 43.868 42.059 0.006 0.000 1.303 462 L HN 2.473 nan 8.230 nan 0.000 0.411 463 G N 1.960 110.760 108.800 0.001 0.000 2.756 463 G HA2 -0.087 3.874 3.960 0.001 0.000 0.678 463 G HA3 -0.087 3.874 3.960 0.001 0.000 0.678 463 G C -1.322 173.596 174.900 0.029 0.000 1.349 463 G CA -0.918 44.192 45.100 0.016 0.000 0.847 463 G HN 0.486 nan 8.290 nan 0.000 0.548 464 R N 0.231 120.771 120.500 0.067 0.000 2.744 464 R HA 0.642 4.983 4.340 0.001 0.000 0.279 464 R C -0.488 175.928 176.300 0.194 0.000 0.977 464 R CA -0.731 55.430 56.100 0.101 0.000 0.906 464 R CB 1.990 32.303 30.300 0.023 0.000 1.197 464 R HN 0.735 nan 8.270 nan 0.000 0.463 465 E N -0.117 120.230 120.200 0.245 0.000 2.266 465 E HA 0.611 4.962 4.350 0.001 0.000 0.268 465 E C -0.390 176.420 176.600 0.350 0.000 0.879 465 E CA -0.515 56.051 56.400 0.276 0.000 0.762 465 E CB 2.339 32.121 29.700 0.137 0.000 1.199 465 E HN 0.793 nan 8.360 nan 0.000 0.422 466 G N 1.862 110.978 108.800 0.526 0.000 2.710 466 G HA2 0.011 3.971 3.960 0.001 0.000 0.668 466 G HA3 0.011 3.971 3.960 0.001 0.000 0.668 466 G C -0.046 175.017 174.900 0.271 0.000 1.320 466 G CA -0.221 45.104 45.100 0.376 0.000 0.860 466 G HN 1.575 nan 8.290 nan 0.000 0.538 467 S N -2.271 113.419 115.700 -0.018 0.000 3.381 467 S HA -0.278 4.192 4.470 0.001 0.000 0.636 467 S C 1.273 176.185 174.600 0.520 0.000 2.614 467 S CA 1.653 59.979 58.200 0.209 0.000 2.810 467 S CB -1.172 62.118 63.200 0.150 0.000 0.331 467 S HN 2.757 nan 8.310 nan 0.000 1.788 468 H N 0.453 119.737 119.070 0.357 0.000 2.546 468 H HA 0.024 4.580 4.556 0.001 0.000 0.277 468 H C 1.612 176.999 175.328 0.099 0.000 1.004 468 H CA 1.528 57.672 56.048 0.160 0.000 1.231 468 H CB -0.496 29.242 29.762 -0.040 0.000 1.382 468 H HN 0.689 nan 8.280 nan 0.000 0.580 469 Y N 1.706 121.969 120.300 -0.063 0.000 2.337 469 Y HA 0.088 4.638 4.550 0.001 0.000 0.293 469 Y C 2.954 178.978 175.900 0.206 0.000 1.123 469 Y CA 0.871 58.991 58.100 0.034 0.000 1.201 469 Y CB -0.332 38.087 38.460 -0.069 0.000 1.011 469 Y HN 0.349 nan 8.280 nan 0.000 0.545 470 G N 0.021 109.110 108.800 0.482 0.000 2.442 470 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 470 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 470 G C 1.674 176.825 174.900 0.417 0.000 1.141 470 G CA 1.051 46.453 45.100 0.503 0.000 0.763 470 G HN 0.481 nan 8.290 nan 0.000 0.554 471 I N 0.177 121.013 120.570 0.444 0.000 2.761 471 I HA -0.006 4.164 4.170 0.001 0.000 0.261 471 I C 1.616 177.927 176.117 0.324 0.000 1.198 471 I CA 0.574 62.070 61.300 0.328 0.000 1.482 471 I CB 0.072 38.257 38.000 0.309 0.000 1.100 471 I HN -0.019 nan 8.210 nan 0.000 0.445 472 D N 1.044 121.610 120.400 0.276 0.000 2.218 472 D HA -0.177 4.464 4.640 0.001 0.000 0.204 472 D C 1.235 177.626 176.300 0.152 0.000 0.976 472 D CA 1.082 55.204 54.000 0.203 0.000 0.853 472 D CB -0.187 40.731 40.800 0.198 0.000 0.939 472 D HN 0.376 nan 8.370 nan 0.000 0.481 473 D N -0.968 119.508 120.400 0.127 0.000 2.349 473 D HA -0.044 4.597 4.640 0.001 0.000 0.224 473 D C 0.745 176.897 176.300 -0.248 0.000 1.029 473 D CA 0.272 54.230 54.000 -0.070 0.000 0.879 473 D CB -0.044 40.657 40.800 -0.165 0.000 0.906 473 D HN 0.389 nan 8.370 nan 0.000 0.528 474 Y N -0.527 119.794 120.300 0.034 0.000 2.481 474 Y HA 0.133 4.684 4.550 0.001 0.000 0.247 474 Y C 0.801 176.731 175.900 0.050 0.000 1.151 474 Y CA -0.476 57.636 58.100 0.020 0.000 1.238 474 Y CB 0.768 39.228 38.460 0.000 0.000 1.179 474 Y HN -0.211 nan 8.280 nan 0.000 0.524 475 V N -2.606 117.413 119.914 0.175 0.000 3.103 475 V HA 0.819 4.940 4.120 0.001 0.000 0.318 475 V C -0.786 175.371 176.094 0.106 0.000 1.114 475 V CA -1.202 61.188 62.300 0.148 0.000 1.020 475 V CB 2.096 34.005 31.823 0.145 0.000 1.085 475 V HN -0.300 nan 8.190 nan 0.000 0.446 476 V N 2.515 122.494 119.914 0.109 0.000 2.789 476 V HA 0.623 4.744 4.120 0.001 0.000 0.311 476 V C -0.470 175.678 176.094 0.089 0.000 1.073 476 V CA -0.454 61.901 62.300 0.091 0.000 0.921 476 V CB 1.903 33.786 31.823 0.100 0.000 1.009 476 V HN 1.117 nan 8.190 nan 0.000 0.426 477 I N 3.524 124.142 120.570 0.079 0.000 2.498 477 I HA 0.660 4.830 4.170 0.001 0.000 0.301 477 I C -0.591 175.578 176.117 0.087 0.000 0.984 477 I CA -0.077 61.271 61.300 0.080 0.000 1.204 477 I CB 1.295 39.338 38.000 0.071 0.000 1.362 477 I HN 0.643 nan 8.210 nan 0.000 0.471 478 K N 5.290 125.746 120.400 0.093 0.000 2.463 478 K HA 0.285 4.606 4.320 0.001 0.000 0.255 478 K C -1.891 174.801 176.600 0.152 0.000 0.942 478 K CA -0.764 55.584 56.287 0.101 0.000 0.814 478 K CB 1.275 33.815 32.500 0.066 0.000 1.122 478 K HN 0.693 nan 8.250 nan 0.000 0.425 479 Y N 5.704 126.015 120.300 0.018 0.000 2.327 479 Y HA 0.351 4.902 4.550 0.001 0.000 0.336 479 Y C -1.381 174.526 175.900 0.011 0.000 1.035 479 Y CA -0.920 57.188 58.100 0.014 0.000 1.165 479 Y CB 0.641 39.109 38.460 0.014 0.000 1.181 479 Y HN 0.438 nan 8.280 nan 0.000 0.494 480 L N 7.762 128.938 121.223 -0.079 0.000 2.319 480 L HA 0.327 4.667 4.340 0.001 0.000 0.281 480 L C -0.812 175.854 176.870 -0.339 0.000 1.005 480 L CA -0.747 53.949 54.840 -0.240 0.000 0.828 480 L CB 1.288 43.308 42.059 -0.066 0.000 1.227 480 L HN 0.729 nan 8.230 nan 0.000 0.415 481 C N 5.231 124.212 119.300 -0.532 0.000 2.246 481 C HA 0.548 5.009 4.460 0.001 0.000 0.329 481 C C 0.266 175.174 174.990 -0.137 0.000 1.221 481 C CA -0.326 58.507 59.018 -0.309 0.000 1.697 481 C CB 0.230 27.748 27.740 -0.370 0.000 2.312 481 C HN 0.536 nan 8.230 nan 0.000 0.509 482 V N 7.002 126.883 119.914 -0.055 0.000 2.334 482 V HA 0.514 4.634 4.120 0.001 0.000 0.281 482 V C 0.777 176.861 176.094 -0.017 0.000 1.016 482 V CA -0.408 61.870 62.300 -0.036 0.000 0.832 482 V CB 1.040 32.852 31.823 -0.020 0.000 0.999 482 V HN 1.049 nan 8.190 nan 0.000 0.439 483 A N 4.983 127.791 122.820 -0.021 0.000 2.488 483 A HA 0.554 4.874 4.320 0.001 0.000 0.249 483 A C -0.000 177.580 177.584 -0.007 0.000 1.083 483 A CA 0.185 52.216 52.037 -0.011 0.000 0.768 483 A CB 0.710 19.702 19.000 -0.014 0.000 1.017 483 A HN 0.712 nan 8.150 nan 0.000 0.496 484 V N 0.000 119.913 119.914 -0.001 0.000 2.409 484 V HA 0.000 4.121 4.120 0.001 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