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_G DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.870 174.900 -0.049 0.000 0.946 3 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 4 S N 1.032 116.702 115.700 -0.049 0.000 2.489 4 S HA 0.726 5.196 4.470 0.000 0.000 0.237 4 S C 0.166 174.746 174.600 -0.034 0.000 1.220 4 S CA -0.367 57.811 58.200 -0.036 0.000 1.231 4 S CB -0.266 62.915 63.200 -0.031 0.000 0.900 4 S HN 0.329 nan 8.310 nan 0.000 0.492 5 M N 0.536 120.114 119.600 -0.038 0.000 2.518 5 M HA 0.459 4.939 4.480 0.000 0.000 0.300 5 M C 0.523 176.807 176.300 -0.025 0.000 1.175 5 M CA -0.756 54.524 55.300 -0.034 0.000 0.890 5 M CB 2.236 34.807 32.600 -0.047 0.000 1.710 5 M HN -0.079 nan 8.290 nan 0.000 0.453 6 K N 0.345 120.736 120.400 -0.016 0.000 2.209 6 K HA -0.117 4.203 4.320 0.000 0.000 0.204 6 K C 0.045 176.641 176.600 -0.007 0.000 1.048 6 K CA 1.203 57.485 56.287 -0.008 0.000 0.940 6 K CB 0.102 32.601 32.500 -0.001 0.000 0.729 6 K HN 0.438 nan 8.250 nan 0.000 0.451 7 D N -0.862 119.531 120.400 -0.011 0.000 2.346 7 D HA 0.108 4.748 4.640 0.000 0.000 0.255 7 D C -2.225 174.046 176.300 -0.049 0.000 1.276 7 D CA -2.210 51.782 54.000 -0.012 0.000 0.941 7 D CB 1.313 42.125 40.800 0.021 0.000 1.199 7 D HN -0.155 nan 8.370 nan 0.000 0.537 8 P HA -0.077 nan 4.420 nan 0.000 0.230 8 P C 1.018 178.228 177.300 -0.151 0.000 1.158 8 P CA 0.492 63.535 63.100 -0.095 0.000 0.769 8 P CB 0.169 31.824 31.700 -0.075 0.000 0.807 9 S N -1.067 114.526 115.700 -0.178 0.000 2.562 9 S HA 0.047 4.517 4.470 0.000 0.000 0.221 9 S C 1.841 176.102 174.600 -0.565 0.000 0.975 9 S CA 0.050 58.048 58.200 -0.337 0.000 0.918 9 S CB -1.299 61.724 63.200 -0.296 0.000 0.772 9 S HN 0.076 nan 8.310 nan 0.000 0.531 10 L N 0.220 121.236 121.223 -0.344 0.000 2.201 10 L HA 0.192 4.532 4.340 0.000 0.000 0.212 10 L C 0.846 177.553 176.870 -0.272 0.000 1.105 10 L CA 0.288 54.957 54.840 -0.285 0.000 0.775 10 L CB -0.363 41.655 42.059 -0.067 0.000 0.913 10 L HN 0.332 nan 8.230 nan 0.000 0.440 11 L N 1.815 122.875 121.223 -0.272 0.000 2.342 11 L HA 0.175 4.515 4.340 0.000 0.000 0.285 11 L C -0.028 176.636 176.870 -0.344 0.000 1.095 11 L CA 0.318 54.980 54.840 -0.297 0.000 0.843 11 L CB -0.058 41.798 42.059 -0.339 0.000 1.201 11 L HN 0.009 nan 8.230 nan 0.000 0.445 12 R N 4.531 124.880 120.500 -0.252 0.000 2.460 12 R HA 0.343 4.683 4.340 0.000 0.000 0.303 12 R C 0.064 176.244 176.300 -0.199 0.000 0.968 12 R CA -0.461 55.475 56.100 -0.273 0.000 0.889 12 R CB 0.973 31.112 30.300 -0.269 0.000 1.123 12 R HN 0.612 nan 8.270 nan 0.000 0.455 13 H N 0.589 119.664 119.070 0.010 0.000 2.672 13 H HA 0.250 4.806 4.556 0.000 0.000 0.277 13 H C -0.203 175.139 175.328 0.024 0.000 1.074 13 H CA 0.049 56.128 56.048 0.052 0.000 1.173 13 H CB 1.469 31.239 29.762 0.012 0.000 1.558 13 H HN 0.373 nan 8.280 nan 0.000 0.539 14 Q N 0.376 120.260 119.800 0.140 0.000 2.365 14 Q HA 0.626 4.966 4.340 0.000 0.000 0.269 14 Q C -0.529 175.702 176.000 0.384 0.000 1.061 14 Q CA -0.843 55.101 55.803 0.236 0.000 0.816 14 Q CB 3.112 32.025 28.738 0.292 0.000 1.325 14 Q HN 0.235 nan 8.270 nan 0.000 0.446 15 A N 1.421 124.404 122.820 0.272 0.000 2.332 15 A HA 0.270 4.590 4.320 0.000 0.000 0.258 15 A C -1.411 176.310 177.584 0.228 0.000 1.087 15 A CA -0.005 52.168 52.037 0.228 0.000 0.802 15 A CB 0.293 19.355 19.000 0.103 0.000 1.042 15 A HN 0.668 nan 8.150 nan 0.000 0.489 16 Y N 1.961 122.167 120.300 -0.157 0.000 2.369 16 Y HA 0.514 5.064 4.550 0.000 0.000 0.337 16 Y C -0.788 174.925 175.900 -0.313 0.000 0.961 16 Y CA -1.252 56.536 58.100 -0.520 0.000 1.186 16 Y CB 0.801 38.791 38.460 -0.783 0.000 1.139 16 Y HN 0.392 nan 8.280 nan 0.000 0.494 17 I N 5.067 125.342 120.570 -0.493 0.000 2.447 17 I HA 0.318 4.488 4.170 0.000 0.000 0.287 17 I C 0.951 176.781 176.117 -0.478 0.000 1.023 17 I CA -0.523 60.557 61.300 -0.367 0.000 1.083 17 I CB 1.145 39.032 38.000 -0.189 0.000 1.245 17 I HN 0.853 nan 8.210 nan 0.000 0.434 18 G N 4.611 113.157 108.800 -0.423 0.000 2.187 18 G HA2 -0.175 3.785 3.960 0.000 0.000 0.261 18 G HA3 -0.175 3.785 3.960 0.000 0.000 0.261 18 G C 0.998 175.609 174.900 -0.482 0.000 1.000 18 G CA 0.762 45.646 45.100 -0.359 0.000 0.718 18 G HN 1.758 nan 8.290 nan 0.000 0.519 19 G N -1.786 106.464 108.800 -0.917 0.000 2.132 19 G HA2 -0.007 3.953 3.960 0.000 0.000 0.228 19 G HA3 -0.007 3.953 3.960 0.000 0.000 0.228 19 G C -0.210 174.201 174.900 -0.815 0.000 1.000 19 G CA 0.899 45.379 45.100 -1.033 0.000 0.693 19 G HN 1.251 nan 8.290 nan 0.000 0.515 20 E N -0.888 118.794 120.200 -0.863 0.000 2.260 20 E HA 0.536 4.886 4.350 0.000 0.000 0.266 20 E C -0.442 175.958 176.600 -0.334 0.000 0.887 20 E CA -0.774 55.387 56.400 -0.398 0.000 0.777 20 E CB 0.685 30.265 29.700 -0.199 0.000 1.205 20 E HN 0.304 nan 8.360 nan 0.000 0.414 21 W N 3.449 124.809 121.300 0.100 0.000 2.368 21 W HA 0.258 4.918 4.660 0.000 0.000 0.316 21 W C 0.359 176.917 176.519 0.065 0.000 1.375 21 W CA -0.093 57.341 57.345 0.148 0.000 1.261 21 W CB 0.539 30.108 29.460 0.181 0.000 1.298 21 W HN 0.261 nan 8.180 nan 0.000 0.539 22 Q N 2.220 122.170 119.800 0.250 0.000 2.416 22 Q HA 0.704 5.044 4.340 0.000 0.000 0.281 22 Q C -0.449 175.625 176.000 0.124 0.000 1.067 22 Q CA -1.111 54.773 55.803 0.135 0.000 0.809 22 Q CB 2.308 31.076 28.738 0.050 0.000 1.418 22 Q HN 0.540 nan 8.270 nan 0.000 0.411 23 A N 0.923 123.795 122.820 0.086 0.000 2.240 23 A HA 0.814 5.134 4.320 0.000 0.000 0.292 23 A C -0.068 177.543 177.584 0.045 0.000 1.121 23 A CA 0.046 52.120 52.037 0.062 0.000 0.851 23 A CB 0.193 19.222 19.000 0.047 0.000 1.167 23 A HN 0.791 nan 8.150 nan 0.000 0.503 24 A N -0.640 122.203 122.820 0.038 0.000 2.429 24 A HA 0.276 4.596 4.320 0.000 0.000 0.242 24 A C 0.679 178.279 177.584 0.025 0.000 1.088 24 A CA 0.383 52.440 52.037 0.033 0.000 0.784 24 A CB -0.174 18.849 19.000 0.038 0.000 1.038 24 A HN 0.761 nan 8.150 nan 0.000 0.501 25 D N -0.004 120.408 120.400 0.020 0.000 2.263 25 D HA -0.089 4.551 4.640 0.000 0.000 0.208 25 D C 1.785 178.094 176.300 0.016 0.000 0.971 25 D CA 1.983 55.992 54.000 0.014 0.000 0.867 25 D CB 0.013 40.818 40.800 0.009 0.000 0.929 25 D HN 0.578 nan 8.370 nan 0.000 0.492 26 S N -1.078 114.634 115.700 0.019 0.000 2.593 26 S HA 0.084 4.554 4.470 0.000 0.000 0.236 26 S C 0.413 175.026 174.600 0.021 0.000 0.991 26 S CA -0.336 57.875 58.200 0.019 0.000 0.963 26 S CB 0.552 63.764 63.200 0.020 0.000 0.865 26 S HN -0.020 nan 8.310 nan 0.000 0.488 27 D N 0.530 120.943 120.400 0.022 0.000 3.006 27 D HA -0.183 4.457 4.640 0.000 0.000 0.208 27 D C 0.553 176.866 176.300 0.022 0.000 1.116 27 D CA 1.247 55.260 54.000 0.020 0.000 0.998 27 D CB -1.571 39.238 40.800 0.016 0.000 1.124 27 D HN 0.781 nan 8.370 nan 0.000 0.413 28 A N 0.670 123.507 122.820 0.029 0.000 2.483 28 A HA 0.440 4.760 4.320 0.000 0.000 0.238 28 A C 1.029 178.639 177.584 0.043 0.000 1.070 28 A CA 1.158 53.219 52.037 0.040 0.000 0.770 28 A CB 0.523 19.553 19.000 0.050 0.000 1.008 28 A HN 0.316 nan 8.150 nan 0.000 0.497 29 T N -1.065 113.515 114.554 0.045 0.000 2.865 29 T HA 0.775 5.125 4.350 0.000 0.000 0.294 29 T C -0.484 174.274 174.700 0.097 0.000 1.119 29 T CA -0.418 61.688 62.100 0.010 0.000 1.007 29 T CB 1.307 70.147 68.868 -0.047 0.000 1.225 29 T HN 1.373 nan 8.240 nan 0.000 0.515 30 F N -1.134 118.805 119.950 -0.019 0.000 2.631 30 F HA 0.874 5.401 4.527 0.000 0.000 0.328 30 F C -0.461 175.295 175.800 -0.075 0.000 1.067 30 F CA -1.335 56.643 58.000 -0.037 0.000 0.969 30 F CB 1.399 40.379 39.000 -0.034 0.000 1.332 30 F HN 0.769 nan 8.300 nan 0.000 0.490 31 E N 0.892 121.147 120.200 0.092 0.000 2.204 31 E HA 0.621 4.971 4.350 0.000 0.000 0.276 31 E C -1.652 174.790 176.600 -0.263 0.000 0.974 31 E CA -1.038 55.234 56.400 -0.215 0.000 0.815 31 E CB 2.127 31.619 29.700 -0.346 0.000 1.119 31 E HN 0.607 nan 8.360 nan 0.000 0.393 32 V N 4.836 124.533 119.914 -0.362 0.000 2.409 32 V HA 0.370 4.490 4.120 0.000 0.000 0.291 32 V C -0.844 175.067 176.094 -0.305 0.000 1.020 32 V CA -0.635 61.556 62.300 -0.182 0.000 0.848 32 V CB 0.620 32.501 31.823 0.096 0.000 0.990 32 V HN 0.522 nan 8.190 nan 0.000 0.430 33 F N 1.825 121.847 119.950 0.119 0.000 2.470 33 F HA 0.429 4.956 4.527 0.000 0.000 0.329 33 F C 0.602 176.425 175.800 0.038 0.000 1.072 33 F CA -1.025 57.015 58.000 0.067 0.000 0.989 33 F CB 0.918 39.945 39.000 0.045 0.000 1.193 33 F HN 0.429 nan 8.300 nan 0.000 0.481 34 D N 4.150 124.680 120.400 0.216 0.000 2.371 34 D HA 0.087 4.727 4.640 0.000 0.000 0.256 34 D C -1.625 174.690 176.300 0.026 0.000 1.193 34 D CA -1.690 52.361 54.000 0.084 0.000 0.881 34 D CB 1.536 42.360 40.800 0.040 0.000 1.143 34 D HN 0.188 nan 8.370 nan 0.000 0.473 35 P HA -0.038 nan 4.420 nan 0.000 0.229 35 P C 0.759 177.951 177.300 -0.179 0.000 1.160 35 P CA 0.487 63.533 63.100 -0.090 0.000 0.777 35 P CB 0.353 31.980 31.700 -0.122 0.000 0.814 36 A N 0.290 123.019 122.820 -0.153 0.000 1.911 36 A HA -0.016 4.304 4.320 0.000 0.000 0.212 36 A C 2.163 179.586 177.584 -0.269 0.000 1.189 36 A CA 2.070 54.055 52.037 -0.087 0.000 0.639 36 A CB -1.231 17.840 19.000 0.119 0.000 0.839 36 A HN 0.353 nan 8.150 nan 0.000 0.449 37 T N -6.145 108.196 114.554 -0.355 0.000 2.999 37 T HA 0.437 4.787 4.350 0.000 0.000 0.247 37 T C 1.480 175.873 174.700 -0.512 0.000 1.012 37 T CA 1.201 63.016 62.100 -0.476 0.000 1.048 37 T CB 0.416 69.205 68.868 -0.132 0.000 1.020 37 T HN 1.660 nan 8.240 nan 0.000 0.478 38 G N 1.455 110.114 108.800 -0.235 0.000 2.176 38 G HA2 -0.205 3.755 3.960 0.000 0.000 0.232 38 G HA3 -0.205 3.755 3.960 0.000 0.000 0.232 38 G C -0.180 174.745 174.900 0.042 0.000 0.986 38 G CA -0.008 45.063 45.100 -0.047 0.000 0.643 38 G HN 0.678 nan 8.290 nan 0.000 0.522 39 E N 0.990 121.236 120.200 0.077 0.000 2.415 39 E HA 0.378 4.728 4.350 0.000 0.000 0.262 39 E C 0.599 177.385 176.600 0.310 0.000 1.038 39 E CA 0.571 57.057 56.400 0.143 0.000 0.921 39 E CB 0.802 30.546 29.700 0.072 0.000 0.950 39 E HN 0.238 nan 8.360 nan 0.000 0.438 40 S N 0.998 116.888 115.700 0.317 0.000 2.545 40 S HA 0.255 4.725 4.470 0.000 0.000 0.275 40 S C 0.480 175.122 174.600 0.070 0.000 1.299 40 S CA -0.413 57.925 58.200 0.229 0.000 1.048 40 S CB 0.762 64.060 63.200 0.164 0.000 0.938 40 S HN 0.490 nan 8.310 nan 0.000 0.496 41 L N 3.010 124.240 121.223 0.012 0.000 2.640 41 L HA 0.692 5.032 4.340 0.000 0.000 0.230 41 L C 1.304 178.190 176.870 0.028 0.000 1.123 41 L CA 0.701 55.526 54.840 -0.025 0.000 0.900 41 L CB -1.575 40.447 42.059 -0.061 0.000 1.146 41 L HN 1.322 nan 8.230 nan 0.000 0.484 42 G N -1.112 107.721 108.800 0.056 0.000 2.306 42 G HA2 0.401 4.361 3.960 0.000 0.000 0.262 42 G HA3 0.401 4.361 3.960 0.000 0.000 0.262 42 G C -0.117 174.835 174.900 0.086 0.000 1.263 42 G CA 0.472 45.624 45.100 0.087 0.000 1.088 42 G HN 1.617 nan 8.290 nan 0.000 0.489 43 T N -2.440 112.192 114.554 0.130 0.000 2.916 43 T HA 0.910 5.260 4.350 0.000 0.000 0.292 43 T C -0.093 174.622 174.700 0.024 0.000 1.055 43 T CA 0.008 62.098 62.100 -0.016 0.000 1.009 43 T CB 1.680 70.489 68.868 -0.097 0.000 1.118 43 T HN 2.169 nan 8.240 nan 0.000 0.497 44 V N -2.125 117.569 119.914 -0.365 0.000 2.914 44 V HA 0.787 4.907 4.120 0.000 0.000 0.314 44 V C -3.139 172.729 176.094 -0.377 0.000 1.084 44 V CA -3.311 58.751 62.300 -0.396 0.000 0.963 44 V CB 1.314 32.756 31.823 -0.634 0.000 1.025 44 V HN 0.736 nan 8.190 nan 0.000 0.432 45 P HA 0.176 nan 4.420 nan 0.000 0.266 45 P C -0.872 176.451 177.300 0.038 0.000 1.195 45 P CA 0.029 63.107 63.100 -0.038 0.000 0.768 45 P CB 0.359 32.072 31.700 0.021 0.000 0.838 46 K N 4.150 124.622 120.400 0.120 0.000 2.360 46 K HA 0.299 4.620 4.320 0.000 0.000 0.235 46 K C -0.149 176.525 176.600 0.124 0.000 1.077 46 K CA -0.198 56.229 56.287 0.234 0.000 1.035 46 K CB -0.242 32.422 32.500 0.273 0.000 1.623 46 K HN 0.431 nan 8.250 nan 0.000 0.462 47 M N 0.475 120.138 119.600 0.105 0.000 2.219 47 M HA 0.432 4.912 4.480 0.000 0.000 0.280 47 M C 0.821 177.148 176.300 0.045 0.000 1.189 47 M CA -0.296 55.040 55.300 0.060 0.000 1.010 47 M CB 1.433 34.062 32.600 0.048 0.000 1.422 47 M HN 0.624 nan 8.290 nan 0.000 0.504 48 G N -1.067 107.748 108.800 0.026 0.000 3.003 48 G HA2 0.570 4.531 3.960 0.000 0.000 0.243 48 G HA3 0.570 4.531 3.960 0.000 0.000 0.243 48 G C 0.192 175.094 174.900 0.004 0.000 1.176 48 G CA 0.043 45.151 45.100 0.014 0.000 0.812 48 G HN 0.731 nan 8.290 nan 0.000 0.584 49 A N -0.391 122.429 122.820 -0.001 0.000 1.908 49 A HA 0.203 4.523 4.320 0.000 0.000 0.218 49 A C 2.711 180.290 177.584 -0.009 0.000 1.181 49 A CA 3.149 55.181 52.037 -0.007 0.000 0.627 49 A CB -1.086 17.910 19.000 -0.008 0.000 0.818 49 A HN 1.579 nan 8.150 nan 0.000 0.445 50 A N -0.297 122.520 122.820 -0.006 0.000 1.902 50 A HA -0.132 4.188 4.320 0.000 0.000 0.217 50 A C 1.869 179.446 177.584 -0.012 0.000 1.181 50 A CA 1.896 53.928 52.037 -0.008 0.000 0.623 50 A CB -0.461 18.537 19.000 -0.004 0.000 0.818 50 A HN 0.550 nan 8.150 nan 0.000 0.443 51 E N -0.713 119.481 120.200 -0.010 0.000 2.216 51 E HA -0.037 4.313 4.350 0.000 0.000 0.192 51 E C 1.941 178.525 176.600 -0.027 0.000 0.988 51 E CA 1.386 57.776 56.400 -0.017 0.000 0.834 51 E CB -0.298 29.397 29.700 -0.008 0.000 0.772 51 E HN 0.576 nan 8.360 nan 0.000 0.479 52 T N 0.378 114.920 114.554 -0.020 0.000 2.857 52 T HA -0.045 4.305 4.350 0.000 0.000 0.266 52 T C 2.011 176.692 174.700 -0.032 0.000 1.048 52 T CA 0.991 63.076 62.100 -0.025 0.000 1.139 52 T CB -0.247 68.611 68.868 -0.017 0.000 0.874 52 T HN 0.260 nan 8.240 nan 0.000 0.455 53 A N 2.213 125.018 122.820 -0.027 0.000 1.940 53 A HA -0.157 4.163 4.320 0.000 0.000 0.219 53 A C 2.388 179.952 177.584 -0.033 0.000 1.176 53 A CA 1.330 53.351 52.037 -0.027 0.000 0.631 53 A CB -0.454 18.534 19.000 -0.020 0.000 0.814 53 A HN 0.405 nan 8.150 nan 0.000 0.446 54 R N -0.658 119.820 120.500 -0.038 0.000 2.090 54 R HA 0.004 4.344 4.340 0.000 0.000 0.228 54 R C 2.490 178.750 176.300 -0.067 0.000 1.110 54 R CA 1.032 57.103 56.100 -0.047 0.000 0.973 54 R CB -0.481 29.790 30.300 -0.048 0.000 0.869 54 R HN 0.508 nan 8.270 nan 0.000 0.440 55 A N 1.644 124.420 122.820 -0.073 0.000 1.877 55 A HA -0.151 4.169 4.320 0.000 0.000 0.216 55 A C 2.176 179.711 177.584 -0.082 0.000 1.186 55 A CA 1.249 53.229 52.037 -0.094 0.000 0.620 55 A CB -0.478 18.471 19.000 -0.085 0.000 0.822 55 A HN 0.159 nan 8.150 nan 0.000 0.443 56 I N -1.036 119.498 120.570 -0.061 0.000 2.226 56 I HA -0.235 3.935 4.170 0.000 0.000 0.245 56 I C 2.551 178.642 176.117 -0.042 0.000 1.100 56 I CA 1.715 62.983 61.300 -0.053 0.000 1.374 56 I CB -0.269 37.705 38.000 -0.043 0.000 1.057 56 I HN 0.374 nan 8.210 nan 0.000 0.413 57 E N 0.724 120.903 120.200 -0.035 0.000 2.077 57 E HA -0.192 4.158 4.350 0.000 0.000 0.193 57 E C 2.229 178.817 176.600 -0.021 0.000 0.989 57 E CA 1.413 57.801 56.400 -0.020 0.000 0.800 57 E CB -0.111 29.577 29.700 -0.020 0.000 0.746 57 E HN 0.476 nan 8.360 nan 0.000 0.452 58 A N 0.648 123.440 122.820 -0.046 0.000 1.930 58 A HA -0.057 4.263 4.320 0.000 0.000 0.217 58 A C 2.323 179.878 177.584 -0.048 0.000 1.175 58 A CA 1.558 53.561 52.037 -0.057 0.000 0.627 58 A CB -0.727 18.212 19.000 -0.101 0.000 0.815 58 A HN 0.337 nan 8.150 nan 0.000 0.443 59 A N -0.534 122.250 122.820 -0.060 0.000 1.865 59 A HA -0.282 4.038 4.320 0.000 0.000 0.217 59 A C 2.218 179.815 177.584 0.022 0.000 1.191 59 A CA 1.950 53.954 52.037 -0.055 0.000 0.623 59 A CB -0.739 18.207 19.000 -0.090 0.000 0.826 59 A HN 0.645 nan 8.150 nan 0.000 0.444 60 Q N -0.735 119.087 119.800 0.037 0.000 2.135 60 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 60 Q C 2.118 178.221 176.000 0.172 0.000 0.981 60 Q CA 1.662 57.543 55.803 0.129 0.000 0.856 60 Q CB -0.324 28.468 28.738 0.090 0.000 0.902 60 Q HN 0.629 nan 8.270 nan 0.000 0.425 61 A N 0.171 123.047 122.820 0.093 0.000 1.968 61 A HA 0.029 4.349 4.320 0.000 0.000 0.217 61 A C 2.119 179.760 177.584 0.094 0.000 1.169 61 A CA 1.299 53.382 52.037 0.076 0.000 0.638 61 A CB -0.527 18.492 19.000 0.031 0.000 0.812 61 A HN 0.515 nan 8.150 nan 0.000 0.446 62 A N -1.838 121.044 122.820 0.102 0.000 2.021 62 A HA 0.016 4.336 4.320 0.000 0.000 0.216 62 A C 1.808 179.541 177.584 0.247 0.000 1.163 62 A CA 1.111 53.216 52.037 0.114 0.000 0.676 62 A CB -0.667 18.349 19.000 0.028 0.000 0.818 62 A HN 0.766 nan 8.150 nan 0.000 0.453 63 W N 1.323 122.662 121.300 0.065 0.000 2.333 63 W HA -0.239 4.421 4.660 0.000 0.000 0.316 63 W C 2.383 178.986 176.519 0.140 0.000 1.215 63 W CA 1.818 59.238 57.345 0.125 0.000 1.278 63 W CB -0.828 28.683 29.460 0.086 0.000 1.154 63 W HN 0.360 nan 8.180 nan 0.000 0.486 64 A N 0.614 123.449 122.820 0.025 0.000 1.892 64 A HA -0.133 4.187 4.320 0.000 0.000 0.218 64 A C 2.335 179.887 177.584 -0.053 0.000 1.188 64 A CA 2.672 54.608 52.037 -0.169 0.000 0.631 64 A CB -1.655 17.273 19.000 -0.121 0.000 0.822 64 A HN 0.437 nan 8.150 nan 0.000 0.447 65 G N -1.953 106.882 108.800 0.058 0.000 2.408 65 G HA2 -0.259 3.701 3.960 0.000 0.000 0.217 65 G HA3 -0.259 3.701 3.960 0.000 0.000 0.217 65 G C 1.529 176.524 174.900 0.159 0.000 1.150 65 G CA 0.853 46.005 45.100 0.086 0.000 0.776 65 G HN 0.703 nan 8.290 nan 0.000 0.542 66 W N 2.474 123.802 121.300 0.046 0.000 2.408 66 W HA -0.114 4.546 4.660 0.000 0.000 0.311 66 W C 2.785 179.350 176.519 0.077 0.000 1.190 66 W CA 1.316 58.709 57.345 0.080 0.000 1.321 66 W CB 0.010 29.555 29.460 0.143 0.000 1.143 66 W HN 0.314 nan 8.180 nan 0.000 0.501 67 R N 0.380 120.911 120.500 0.052 0.000 2.193 67 R HA -0.176 4.164 4.340 0.000 0.000 0.229 67 R C 2.163 178.364 176.300 -0.166 0.000 1.110 67 R CA 1.677 57.722 56.100 -0.093 0.000 0.988 67 R CB -1.092 29.166 30.300 -0.070 0.000 0.871 67 R HN 0.237 nan 8.270 nan 0.000 0.458 68 M N 1.157 120.673 119.600 -0.141 0.000 2.296 68 M HA 0.013 4.493 4.480 0.000 0.000 0.265 68 M C -0.003 176.216 176.300 -0.134 0.000 1.064 68 M CA 1.188 56.414 55.300 -0.123 0.000 1.109 68 M CB 0.242 32.789 32.600 -0.087 0.000 1.396 68 M HN 0.044 nan 8.290 nan 0.000 0.430 69 K N 1.517 121.804 120.400 -0.188 0.000 2.355 69 K HA 0.047 4.367 4.320 0.000 0.000 0.270 69 K C 0.393 176.866 176.600 -0.212 0.000 1.003 69 K CA 0.115 56.277 56.287 -0.208 0.000 0.957 69 K CB 0.384 32.699 32.500 -0.307 0.000 0.939 69 K HN 0.274 nan 8.250 nan 0.000 0.482 70 T N -0.885 113.577 114.554 -0.153 0.000 2.900 70 T HA 0.105 4.455 4.350 0.000 0.000 0.307 70 T C 1.404 176.011 174.700 -0.155 0.000 1.065 70 T CA -0.186 61.838 62.100 -0.127 0.000 1.105 70 T CB 1.289 70.106 68.868 -0.086 0.000 0.979 70 T HN 0.585 nan 8.240 nan 0.000 0.544 71 A N 2.021 124.767 122.820 -0.122 0.000 1.917 71 A HA -0.143 4.177 4.320 0.000 0.000 0.219 71 A C 2.406 179.937 177.584 -0.088 0.000 1.182 71 A CA 2.014 53.987 52.037 -0.107 0.000 0.633 71 A CB -0.933 18.026 19.000 -0.068 0.000 0.819 71 A HN 0.976 nan 8.150 nan 0.000 0.448 72 K N -0.481 119.876 120.400 -0.073 0.000 2.032 72 K HA -0.213 4.107 4.320 0.000 0.000 0.209 72 K C 1.999 178.570 176.600 -0.047 0.000 1.048 72 K CA 1.882 58.138 56.287 -0.053 0.000 0.927 72 K CB -0.191 32.282 32.500 -0.046 0.000 0.712 72 K HN 0.684 nan 8.250 nan 0.000 0.441 73 E N -0.212 119.945 120.200 -0.071 0.000 2.077 73 E HA -0.168 4.182 4.350 0.000 0.000 0.193 73 E C 2.153 178.716 176.600 -0.061 0.000 0.989 73 E CA 0.971 57.334 56.400 -0.062 0.000 0.800 73 E CB 0.052 29.702 29.700 -0.083 0.000 0.746 73 E HN 0.254 nan 8.360 nan 0.000 0.452 74 R N 0.478 120.890 120.500 -0.147 0.000 2.075 74 R HA -0.057 4.283 4.340 0.000 0.000 0.232 74 R C 2.425 178.770 176.300 0.075 0.000 1.126 74 R CA 0.964 56.991 56.100 -0.122 0.000 0.963 74 R CB -0.340 29.759 30.300 -0.335 0.000 0.858 74 R HN 0.096 nan 8.270 nan 0.000 0.435 75 A N 1.661 124.500 122.820 0.033 0.000 1.948 75 A HA -0.194 4.126 4.320 0.000 0.000 0.220 75 A C 2.416 180.053 177.584 0.089 0.000 1.177 75 A CA 1.886 53.959 52.037 0.059 0.000 0.636 75 A CB -0.633 18.370 19.000 0.005 0.000 0.815 75 A HN 0.412 nan 8.150 nan 0.000 0.449 76 A N -0.016 122.848 122.820 0.072 0.000 1.877 76 A HA -0.099 4.221 4.320 0.000 0.000 0.216 76 A C 2.141 179.808 177.584 0.137 0.000 1.186 76 A CA 1.584 53.673 52.037 0.086 0.000 0.620 76 A CB -0.623 18.413 19.000 0.059 0.000 0.822 76 A HN 0.519 nan 8.150 nan 0.000 0.443 77 I N -0.440 120.231 120.570 0.168 0.000 2.179 77 I HA -0.253 3.917 4.170 0.000 0.000 0.242 77 I C 2.379 178.664 176.117 0.280 0.000 1.088 77 I CA 1.185 62.613 61.300 0.213 0.000 1.357 77 I CB -0.419 37.744 38.000 0.271 0.000 1.051 77 I HN 0.270 nan 8.210 nan 0.000 0.409 78 L N 0.324 121.740 121.223 0.322 0.000 2.131 78 L HA -0.187 4.153 4.340 0.000 0.000 0.210 78 L C 2.750 179.858 176.870 0.397 0.000 1.092 78 L CA 1.203 56.302 54.840 0.432 0.000 0.759 78 L CB -0.505 41.787 42.059 0.389 0.000 0.903 78 L HN 0.238 nan 8.230 nan 0.000 0.435 79 R N 0.163 120.827 120.500 0.273 0.000 2.148 79 R HA -0.082 4.258 4.340 0.000 0.000 0.223 79 R C 2.367 178.858 176.300 0.319 0.000 1.088 79 R CA 0.830 57.086 56.100 0.260 0.000 0.985 79 R CB 0.038 30.424 30.300 0.145 0.000 0.880 79 R HN 0.247 nan 8.270 nan 0.000 0.451 80 R N -0.837 119.825 120.500 0.269 0.000 2.115 80 R HA -0.149 4.191 4.340 0.000 0.000 0.226 80 R C 1.760 178.236 176.300 0.292 0.000 1.100 80 R CA 1.316 57.554 56.100 0.230 0.000 0.980 80 R CB -0.320 30.083 30.300 0.171 0.000 0.875 80 R HN 0.326 nan 8.270 nan 0.000 0.445 81 W N 1.106 122.486 121.300 0.133 0.000 2.381 81 W HA -0.184 4.476 4.660 0.000 0.000 0.301 81 W C 1.783 178.387 176.519 0.142 0.000 1.205 81 W CA 0.591 58.004 57.345 0.112 0.000 1.285 81 W CB -0.823 28.706 29.460 0.115 0.000 1.133 81 W HN -0.029 nan 8.180 nan 0.000 0.521 82 F N 2.166 122.145 119.950 0.048 0.000 2.063 82 F HA -0.306 4.221 4.527 0.000 0.000 0.298 82 F C 2.082 177.864 175.800 -0.031 0.000 1.109 82 F CA 2.741 60.686 58.000 -0.091 0.000 1.212 82 F CB -0.906 38.085 39.000 -0.015 0.000 0.973 82 F HN -0.220 nan 8.300 nan 0.000 0.480 83 D N 0.701 121.069 120.400 -0.054 0.000 2.106 83 D HA -0.207 4.433 4.640 0.000 0.000 0.191 83 D C 2.436 178.655 176.300 -0.134 0.000 0.997 83 D CA 2.004 55.917 54.000 -0.146 0.000 0.834 83 D CB -0.704 40.122 40.800 0.044 0.000 0.956 83 D HN 0.365 nan 8.370 nan 0.000 0.448 84 L N 0.316 121.533 121.223 -0.010 0.000 2.131 84 L HA -0.142 4.198 4.340 0.000 0.000 0.210 84 L C 2.502 179.362 176.870 -0.017 0.000 1.092 84 L CA 0.428 55.283 54.840 0.025 0.000 0.759 84 L CB -0.298 41.833 42.059 0.120 0.000 0.903 84 L HN -0.047 nan 8.230 nan 0.000 0.435 85 V N -0.319 119.535 119.914 -0.100 0.000 2.358 85 V HA -0.248 3.872 4.120 0.000 0.000 0.246 85 V C 2.413 178.408 176.094 -0.166 0.000 1.047 85 V CA 1.278 63.497 62.300 -0.135 0.000 1.035 85 V CB -0.298 31.377 31.823 -0.246 0.000 0.658 85 V HN 0.267 nan 8.190 nan 0.000 0.452 86 I N 0.831 121.224 120.570 -0.296 0.000 2.202 86 I HA -0.188 3.982 4.170 0.000 0.000 0.242 86 I C 2.729 178.763 176.117 -0.138 0.000 1.091 86 I CA 1.976 63.115 61.300 -0.268 0.000 1.368 86 I CB -1.606 36.127 38.000 -0.445 0.000 1.058 86 I HN 0.310 nan 8.210 nan 0.000 0.410 87 A N 0.651 123.402 122.820 -0.114 0.000 1.972 87 A HA -0.164 4.156 4.320 0.000 0.000 0.219 87 A C 1.751 179.322 177.584 -0.023 0.000 1.169 87 A CA 1.491 53.496 52.037 -0.052 0.000 0.635 87 A CB -0.645 18.337 19.000 -0.030 0.000 0.810 87 A HN 0.540 nan 8.150 nan 0.000 0.446 88 N N -0.243 118.448 118.700 -0.016 0.000 2.321 88 N HA 0.025 4.765 4.740 0.000 0.000 0.242 88 N C 1.311 176.824 175.510 0.005 0.000 1.141 88 N CA 0.636 53.692 53.050 0.010 0.000 0.864 88 N CB 0.465 38.977 38.487 0.043 0.000 1.100 88 N HN 0.540 nan 8.380 nan 0.000 0.510 89 S N 1.750 117.443 115.700 -0.013 0.000 2.359 89 S HA -0.215 4.255 4.470 0.000 0.000 0.223 89 S C 1.439 176.045 174.600 0.009 0.000 1.039 89 S CA 1.418 59.614 58.200 -0.007 0.000 1.042 89 S CB -0.040 63.150 63.200 -0.017 0.000 0.915 89 S HN 0.178 nan 8.310 nan 0.000 0.439 90 D N 1.488 121.891 120.400 0.006 0.000 2.106 90 D HA -0.109 4.531 4.640 0.000 0.000 0.191 90 D C 1.786 178.091 176.300 0.009 0.000 0.997 90 D CA 1.654 55.658 54.000 0.008 0.000 0.834 90 D CB -0.635 40.167 40.800 0.004 0.000 0.956 90 D HN 0.525 nan 8.370 nan 0.000 0.448 91 D N 0.225 120.630 120.400 0.008 0.000 2.117 91 D HA -0.065 4.575 4.640 0.000 0.000 0.198 91 D C 2.462 178.769 176.300 0.011 0.000 0.982 91 D CA 0.275 54.278 54.000 0.004 0.000 0.828 91 D CB -0.305 40.497 40.800 0.002 0.000 0.967 91 D HN 0.235 nan 8.370 nan 0.000 0.464 92 L N 0.878 122.117 121.223 0.027 0.000 2.079 92 L HA -0.175 4.165 4.340 0.000 0.000 0.210 92 L C 2.562 179.459 176.870 0.045 0.000 1.081 92 L CA 1.178 56.044 54.840 0.044 0.000 0.752 92 L CB -0.447 41.644 42.059 0.052 0.000 0.896 92 L HN -0.023 nan 8.230 nan 0.000 0.433 93 A N -0.305 122.538 122.820 0.037 0.000 1.898 93 A HA -0.173 4.147 4.320 0.000 0.000 0.216 93 A C 2.188 179.791 177.584 0.031 0.000 1.181 93 A CA 1.291 53.353 52.037 0.041 0.000 0.620 93 A CB -0.534 18.488 19.000 0.036 0.000 0.819 93 A HN 0.282 nan 8.150 nan 0.000 0.442 94 L N 0.153 121.386 121.223 0.016 0.000 2.027 94 L HA -0.047 4.293 4.340 0.000 0.000 0.206 94 L C 2.246 179.112 176.870 -0.006 0.000 1.074 94 L CA 1.530 56.371 54.840 0.003 0.000 0.745 94 L CB -0.770 41.283 42.059 -0.010 0.000 0.898 94 L HN 0.443 nan 8.230 nan 0.000 0.433 95 I N -1.125 119.439 120.570 -0.010 0.000 2.163 95 I HA -0.355 3.815 4.170 0.000 0.000 0.243 95 I C 2.512 178.648 176.117 0.032 0.000 1.085 95 I CA 1.444 62.732 61.300 -0.019 0.000 1.347 95 I CB -0.364 37.630 38.000 -0.009 0.000 1.044 95 I HN 0.274 nan 8.210 nan 0.000 0.408 96 L N 0.176 121.432 121.223 0.055 0.000 1.989 96 L HA -0.270 4.070 4.340 0.000 0.000 0.211 96 L C 2.659 179.563 176.870 0.058 0.000 1.071 96 L CA 1.962 56.846 54.840 0.074 0.000 0.749 96 L CB -0.445 41.661 42.059 0.077 0.000 0.890 96 L HN 0.226 nan 8.230 nan 0.000 0.431 97 T N -1.026 113.553 114.554 0.041 0.000 2.684 97 T HA -0.212 4.138 4.350 0.000 0.000 0.267 97 T C 1.705 176.422 174.700 0.028 0.000 1.036 97 T CA 2.036 64.156 62.100 0.033 0.000 1.148 97 T CB -0.412 68.474 68.868 0.029 0.000 0.863 97 T HN 0.484 nan 8.240 nan 0.000 0.436 98 T N 2.161 116.727 114.554 0.019 0.000 2.720 98 T HA -0.144 4.206 4.350 0.000 0.000 0.268 98 T C 2.013 176.731 174.700 0.030 0.000 1.037 98 T CA 1.667 63.772 62.100 0.007 0.000 1.144 98 T CB -0.274 68.575 68.868 -0.031 0.000 0.864 98 T HN 0.773 nan 8.240 nan 0.000 0.444 99 E N 0.152 120.392 120.200 0.066 0.000 2.250 99 E HA 0.001 4.352 4.350 0.000 0.000 0.192 99 E C 2.263 178.913 176.600 0.083 0.000 0.986 99 E CA 0.402 56.873 56.400 0.119 0.000 0.849 99 E CB -0.067 29.779 29.700 0.243 0.000 0.797 99 E HN 0.272 nan 8.360 nan 0.000 0.482 100 Q N 0.095 119.937 119.800 0.069 0.000 2.390 100 Q HA 0.084 4.424 4.340 0.000 0.000 0.216 100 Q C 1.292 177.299 176.000 0.012 0.000 0.916 100 Q CA 1.496 57.336 55.803 0.062 0.000 0.911 100 Q CB 1.124 29.915 28.738 0.090 0.000 1.035 100 Q HN 0.469 nan 8.270 nan 0.000 0.541 101 G N 1.541 110.343 108.800 0.004 0.000 2.491 101 G HA2 -0.257 3.703 3.960 0.000 0.000 0.203 101 G HA3 -0.257 3.703 3.960 0.000 0.000 0.203 101 G C -0.015 174.888 174.900 0.005 0.000 1.052 101 G CA 0.061 45.145 45.100 -0.025 0.000 0.675 101 G HN 0.402 nan 8.290 nan 0.000 0.504 102 K N 2.658 123.063 120.400 0.009 0.000 2.518 102 K HA 0.374 4.694 4.320 0.000 0.000 0.276 102 K C -2.187 174.434 176.600 0.035 0.000 0.974 102 K CA -0.329 55.968 56.287 0.018 0.000 0.986 102 K CB 0.519 33.010 32.500 -0.014 0.000 0.901 102 K HN 0.273 nan 8.250 nan 0.000 0.497 103 P HA -0.078 nan 4.420 nan 0.000 0.270 103 P C 0.983 178.308 177.300 0.041 0.000 1.223 103 P CA -0.255 62.873 63.100 0.046 0.000 0.785 103 P CB 0.568 32.296 31.700 0.047 0.000 0.923 104 L N 1.135 122.380 121.223 0.036 0.000 2.051 104 L HA -0.305 4.035 4.340 0.000 0.000 0.214 104 L C 2.533 179.426 176.870 0.038 0.000 1.076 104 L CA 2.514 57.374 54.840 0.034 0.000 0.758 104 L CB -1.119 40.955 42.059 0.026 0.000 0.890 104 L HN 0.442 nan 8.230 nan 0.000 0.433 105 A N -0.340 122.502 122.820 0.037 0.000 1.883 105 A HA -0.247 4.073 4.320 0.000 0.000 0.217 105 A C 2.099 179.714 177.584 0.051 0.000 1.186 105 A CA 1.863 53.924 52.037 0.039 0.000 0.624 105 A CB -0.499 18.522 19.000 0.035 0.000 0.822 105 A HN 0.493 nan 8.150 nan 0.000 0.444 106 E N -0.505 119.728 120.200 0.056 0.000 2.150 106 E HA -0.080 4.270 4.350 0.000 0.000 0.193 106 E C 2.302 178.955 176.600 0.088 0.000 0.985 106 E CA 0.821 57.264 56.400 0.072 0.000 0.814 106 E CB -0.247 29.491 29.700 0.064 0.000 0.752 106 E HN 0.629 nan 8.360 nan 0.000 0.466 107 A N 1.786 124.649 122.820 0.071 0.000 1.898 107 A HA -0.179 4.141 4.320 0.000 0.000 0.216 107 A C 1.973 179.609 177.584 0.087 0.000 1.181 107 A CA 1.210 53.294 52.037 0.079 0.000 0.620 107 A CB -0.200 18.834 19.000 0.058 0.000 0.819 107 A HN 0.031 nan 8.150 nan 0.000 0.442 108 K N -0.661 119.780 120.400 0.068 0.000 2.057 108 K HA -0.108 4.212 4.320 0.000 0.000 0.207 108 K C 2.126 178.774 176.600 0.080 0.000 1.049 108 K CA 1.113 57.437 56.287 0.061 0.000 0.931 108 K CB -0.479 32.047 32.500 0.043 0.000 0.714 108 K HN 0.466 nan 8.250 nan 0.000 0.440 109 G N 1.443 110.295 108.800 0.088 0.000 2.440 109 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 109 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 109 G C 1.373 176.371 174.900 0.163 0.000 1.154 109 G CA 1.036 46.196 45.100 0.099 0.000 0.767 109 G HN 0.432 nan 8.290 nan 0.000 0.552 110 E N -0.043 120.283 120.200 0.209 0.000 2.047 110 E HA -0.111 4.239 4.350 0.000 0.000 0.191 110 E C 2.476 179.235 176.600 0.265 0.000 0.987 110 E CA 0.692 57.288 56.400 0.326 0.000 0.799 110 E CB -0.092 29.820 29.700 0.353 0.000 0.752 110 E HN 0.296 nan 8.360 nan 0.000 0.449 111 I N 1.506 122.175 120.570 0.165 0.000 2.264 111 I HA -0.229 3.941 4.170 0.000 0.000 0.248 111 I C 2.547 178.720 176.117 0.094 0.000 1.111 111 I CA 1.373 62.735 61.300 0.104 0.000 1.382 111 I CB -1.713 36.323 38.000 0.059 0.000 1.060 111 I HN 0.190 nan 8.210 nan 0.000 0.418 112 A N 0.160 123.047 122.820 0.112 0.000 1.877 112 A HA -0.274 4.046 4.320 0.000 0.000 0.216 112 A C 2.378 180.066 177.584 0.173 0.000 1.186 112 A CA 1.439 53.542 52.037 0.110 0.000 0.620 112 A CB -1.121 17.934 19.000 0.093 0.000 0.822 112 A HN 0.430 nan 8.150 nan 0.000 0.443 113 Y N 0.829 121.161 120.300 0.053 0.000 2.128 113 Y HA -0.152 4.398 4.550 0.000 0.000 0.284 113 Y C 2.687 178.680 175.900 0.154 0.000 1.154 113 Y CA 1.152 59.280 58.100 0.046 0.000 1.149 113 Y CB -0.890 37.613 38.460 0.071 0.000 0.976 113 Y HN 0.305 nan 8.280 nan 0.000 0.505 114 A N 0.355 123.265 122.820 0.150 0.000 1.902 114 A HA -0.064 4.256 4.320 0.000 0.000 0.217 114 A C 2.501 180.142 177.584 0.094 0.000 1.181 114 A CA 2.029 54.118 52.037 0.086 0.000 0.623 114 A CB -1.493 17.526 19.000 0.033 0.000 0.818 114 A HN 0.586 nan 8.150 nan 0.000 0.443 115 A N 0.561 123.434 122.820 0.089 0.000 1.865 115 A HA -0.157 4.163 4.320 0.000 0.000 0.217 115 A C 2.542 180.339 177.584 0.355 0.000 1.191 115 A CA 2.701 54.853 52.037 0.192 0.000 0.623 115 A CB -1.239 17.813 19.000 0.086 0.000 0.826 115 A HN 1.135 nan 8.150 nan 0.000 0.444 116 S N -0.992 114.833 115.700 0.209 0.000 2.402 116 S HA -0.203 4.267 4.470 0.000 0.000 0.233 116 S C 1.710 176.253 174.600 -0.094 0.000 1.030 116 S CA 1.691 59.903 58.200 0.019 0.000 1.003 116 S CB -0.803 62.339 63.200 -0.097 0.000 0.813 116 S HN 0.358 nan 8.310 nan 0.000 0.477 117 F N 1.757 121.694 119.950 -0.023 0.000 2.113 117 F HA 0.169 4.696 4.527 0.000 0.000 0.297 117 F C 2.295 178.198 175.800 0.172 0.000 1.103 117 F CA 0.702 58.720 58.000 0.029 0.000 1.248 117 F CB -0.540 38.442 39.000 -0.030 0.000 0.999 117 F HN 0.173 nan 8.300 nan 0.000 0.475 118 I N -0.249 120.475 120.570 0.258 0.000 2.163 118 I HA -0.307 3.863 4.170 0.000 0.000 0.243 118 I C 2.498 178.681 176.117 0.110 0.000 1.085 118 I CA 1.725 63.121 61.300 0.160 0.000 1.347 118 I CB -0.573 37.365 38.000 -0.105 0.000 1.044 118 I HN 0.187 nan 8.210 nan 0.000 0.408 119 E N 0.765 120.898 120.200 -0.112 0.000 2.085 119 E HA -0.285 4.065 4.350 0.000 0.000 0.194 119 E C 2.186 178.695 176.600 -0.152 0.000 0.994 119 E CA 1.544 57.705 56.400 -0.398 0.000 0.801 119 E CB -0.254 28.880 29.700 -0.942 0.000 0.743 119 E HN 0.602 nan 8.360 nan 0.000 0.453 120 W N 0.200 121.343 121.300 -0.261 0.000 2.338 120 W HA -0.235 4.425 4.660 0.000 0.000 0.304 120 W C 1.390 177.724 176.519 -0.309 0.000 1.212 120 W CA 1.126 58.264 57.345 -0.346 0.000 1.264 120 W CB -0.321 28.822 29.460 -0.529 0.000 1.142 120 W HN 0.131 nan 8.180 nan 0.000 0.512 121 F N 0.706 120.719 119.950 0.104 0.000 2.416 121 F HA 0.052 4.579 4.527 0.000 0.000 0.296 121 F C 2.688 178.470 175.800 -0.031 0.000 1.099 121 F CA 1.467 59.488 58.000 0.035 0.000 1.427 121 F CB -1.363 37.721 39.000 0.140 0.000 1.079 121 F HN -0.138 nan 8.300 nan 0.000 0.536 122 A N 0.381 123.288 122.820 0.146 0.000 1.892 122 A HA -0.264 4.056 4.320 0.000 0.000 0.218 122 A C 2.119 179.674 177.584 -0.048 0.000 1.188 122 A CA 2.215 54.292 52.037 0.067 0.000 0.631 122 A CB -0.821 18.203 19.000 0.040 0.000 0.822 122 A HN 0.454 nan 8.150 nan 0.000 0.447 123 E N -0.862 119.231 120.200 -0.179 0.000 2.152 123 E HA -0.136 4.214 4.350 0.000 0.000 0.192 123 E C 1.993 178.412 176.600 -0.302 0.000 0.983 123 E CA 0.863 57.096 56.400 -0.278 0.000 0.818 123 E CB -0.077 29.369 29.700 -0.424 0.000 0.758 123 E HN 0.525 nan 8.360 nan 0.000 0.467 124 E N 0.291 120.294 120.200 -0.328 0.000 2.107 124 E HA -0.096 4.254 4.350 0.000 0.000 0.191 124 E C 2.243 178.810 176.600 -0.055 0.000 0.982 124 E CA 0.914 57.180 56.400 -0.223 0.000 0.809 124 E CB -0.423 29.210 29.700 -0.112 0.000 0.756 124 E HN 0.338 nan 8.360 nan 0.000 0.459 125 G N 1.850 110.654 108.800 0.006 0.000 2.469 125 G HA2 -0.281 3.679 3.960 0.000 0.000 0.220 125 G HA3 -0.281 3.679 3.960 0.000 0.000 0.220 125 G C 1.408 176.296 174.900 -0.020 0.000 1.136 125 G CA 0.675 45.789 45.100 0.024 0.000 0.759 125 G HN 0.244 nan 8.290 nan 0.000 0.562 126 K N -0.013 120.354 120.400 -0.054 0.000 2.589 126 K HA 0.109 4.429 4.320 0.000 0.000 0.192 126 K C 1.593 178.153 176.600 -0.067 0.000 1.029 126 K CA 0.235 56.483 56.287 -0.064 0.000 1.031 126 K CB 0.140 32.593 32.500 -0.078 0.000 0.821 126 K HN 0.273 nan 8.250 nan 0.000 0.502 127 R N -0.158 120.304 120.500 -0.063 0.000 2.555 127 R HA 0.116 4.456 4.340 0.000 0.000 0.312 127 R C -0.259 176.022 176.300 -0.032 0.000 0.938 127 R CA -0.142 55.918 56.100 -0.065 0.000 1.112 127 R CB 0.913 31.148 30.300 -0.109 0.000 1.535 127 R HN -0.118 nan 8.270 nan 0.000 0.525 128 V N 2.391 122.304 119.914 -0.001 0.000 2.458 128 V HA 0.224 4.344 4.120 0.000 0.000 0.287 128 V C 0.378 176.484 176.094 0.020 0.000 1.009 128 V CA 0.115 62.435 62.300 0.032 0.000 1.091 128 V CB 0.571 32.432 31.823 0.063 0.000 0.960 128 V HN 0.236 nan 8.190 nan 0.000 0.476 129 A N 4.388 127.220 122.820 0.019 0.000 2.393 129 A HA 0.881 5.202 4.320 0.000 0.000 0.306 129 A C 0.266 177.863 177.584 0.022 0.000 1.050 129 A CA 0.001 52.044 52.037 0.010 0.000 0.724 129 A CB 1.705 20.698 19.000 -0.012 0.000 1.248 129 A HN 0.939 nan 8.150 nan 0.000 0.424 130 G N 0.355 109.171 108.800 0.025 0.000 2.606 130 G HA2 0.650 4.611 3.960 0.000 0.000 0.262 130 G HA3 0.650 4.611 3.960 0.000 0.000 0.262 130 G C -0.901 174.012 174.900 0.021 0.000 1.394 130 G CA 0.026 45.145 45.100 0.032 0.000 1.044 130 G HN 0.872 nan 8.290 nan 0.000 0.553 131 D N -2.332 118.083 120.400 0.026 0.000 2.596 131 D HA 0.518 5.158 4.640 0.000 0.000 0.262 131 D C -0.586 175.729 176.300 0.025 0.000 1.210 131 D CA -0.620 53.391 54.000 0.018 0.000 0.873 131 D CB 1.041 41.847 40.800 0.011 0.000 1.408 131 D HN 0.581 nan 8.370 nan 0.000 0.441 132 T N -1.570 112.995 114.554 0.019 0.000 2.829 132 T HA 0.746 5.096 4.350 0.000 0.000 0.280 132 T C -0.340 174.370 174.700 0.017 0.000 0.999 132 T CA -0.810 61.304 62.100 0.024 0.000 0.983 132 T CB 0.531 69.411 68.868 0.020 0.000 0.968 132 T HN 0.381 nan 8.240 nan 0.000 0.446 133 L N 2.706 123.941 121.223 0.020 0.000 2.354 133 L HA 0.601 4.941 4.340 0.000 0.000 0.264 133 L C -2.466 174.410 176.870 0.011 0.000 1.008 133 L CA -2.736 52.109 54.840 0.008 0.000 0.819 133 L CB 2.162 44.217 42.059 -0.006 0.000 1.339 133 L HN 0.464 nan 8.230 nan 0.000 0.420 134 P HA 0.074 nan 4.420 nan 0.000 0.276 134 P C -0.293 177.012 177.300 0.008 0.000 1.253 134 P CA -0.166 62.938 63.100 0.007 0.000 0.766 134 P CB 0.739 32.441 31.700 0.003 0.000 0.845 135 T N 4.273 118.837 114.554 0.017 0.000 2.930 135 T HA 0.181 4.531 4.350 0.000 0.000 0.306 135 T C -1.241 173.468 174.700 0.015 0.000 1.045 135 T CA -1.125 60.989 62.100 0.023 0.000 1.134 135 T CB -0.137 68.751 68.868 0.033 0.000 0.961 135 T HN 0.321 nan 8.240 nan 0.000 0.545 136 P HA 0.317 nan 4.420 nan 0.000 0.254 136 P C -0.647 176.663 177.300 0.016 0.000 1.494 136 P CA 0.143 63.250 63.100 0.011 0.000 0.961 136 P CB 0.228 31.931 31.700 0.005 0.000 1.493 137 D N -0.075 120.338 120.400 0.022 0.000 2.452 137 D HA 0.249 4.889 4.640 0.000 0.000 0.226 137 D C 0.638 176.951 176.300 0.021 0.000 1.366 137 D CA -0.347 53.666 54.000 0.022 0.000 0.986 137 D CB 1.994 42.811 40.800 0.029 0.000 1.420 137 D HN -0.137 nan 8.370 nan 0.000 0.583 138 A N 3.771 126.600 122.820 0.015 0.000 2.084 138 A HA -0.199 4.121 4.320 0.000 0.000 0.221 138 A C 1.401 178.993 177.584 0.013 0.000 1.161 138 A CA 1.142 53.187 52.037 0.013 0.000 0.653 138 A CB -0.147 18.858 19.000 0.009 0.000 0.802 138 A HN 0.600 nan 8.150 nan 0.000 0.457 139 N N -0.447 118.261 118.700 0.014 0.000 2.336 139 N HA 0.093 4.833 4.740 0.000 0.000 0.189 139 N C -0.185 175.334 175.510 0.015 0.000 1.113 139 N CA 0.512 53.569 53.050 0.012 0.000 0.858 139 N CB 0.335 38.828 38.487 0.010 0.000 0.970 139 N HN 0.529 nan 8.380 nan 0.000 0.471 140 K N 0.053 120.467 120.400 0.023 0.000 2.443 140 K HA 0.491 4.811 4.320 0.000 0.000 0.251 140 K C -0.480 176.143 176.600 0.039 0.000 0.972 140 K CA -0.731 55.574 56.287 0.031 0.000 0.833 140 K CB 2.180 34.708 32.500 0.046 0.000 1.317 140 K HN -0.239 nan 8.250 nan 0.000 0.441 141 R N 1.205 121.733 120.500 0.046 0.000 2.686 141 R HA 0.496 4.836 4.340 0.000 0.000 0.283 141 R C -0.881 175.476 176.300 0.095 0.000 0.978 141 R CA -0.712 55.421 56.100 0.054 0.000 0.897 141 R CB 1.316 31.637 30.300 0.034 0.000 1.192 141 R HN 0.581 nan 8.270 nan 0.000 0.457 142 I N 2.192 122.830 120.570 0.112 0.000 2.330 142 I HA 0.304 4.474 4.170 0.000 0.000 0.289 142 I C -0.306 175.891 176.117 0.133 0.000 1.001 142 I CA -0.753 60.659 61.300 0.185 0.000 1.193 142 I CB 1.664 39.743 38.000 0.132 0.000 1.345 142 I HN 0.037 nan 8.210 nan 0.000 0.461 143 V N 7.325 127.333 119.914 0.155 0.000 2.540 143 V HA 0.454 4.574 4.120 0.000 0.000 0.302 143 V C -0.199 175.978 176.094 0.139 0.000 1.035 143 V CA -0.712 61.650 62.300 0.103 0.000 0.873 143 V CB 2.213 34.069 31.823 0.056 0.000 0.992 143 V HN 0.353 nan 8.190 nan 0.000 0.428 144 V N 5.555 125.530 119.914 0.102 0.000 2.448 144 V HA 0.658 4.778 4.120 0.000 0.000 0.295 144 V C -0.125 176.011 176.094 0.070 0.000 1.025 144 V CA -0.539 61.825 62.300 0.105 0.000 0.859 144 V CB 1.908 33.780 31.823 0.081 0.000 0.988 144 V HN 0.770 nan 8.190 nan 0.000 0.431 145 V N 2.407 122.363 119.914 0.070 0.000 3.019 145 V HA 0.762 4.882 4.120 0.000 0.000 0.317 145 V C -0.665 175.466 176.094 0.062 0.000 1.094 145 V CA -1.008 61.324 62.300 0.053 0.000 1.000 145 V CB 2.193 34.039 31.823 0.039 0.000 1.060 145 V HN 0.796 nan 8.190 nan 0.000 0.443 146 K N 1.692 122.128 120.400 0.059 0.000 2.378 146 K HA 0.673 4.993 4.320 0.000 0.000 0.252 146 K C -1.136 175.512 176.600 0.079 0.000 0.931 146 K CA -0.529 55.803 56.287 0.074 0.000 0.794 146 K CB 2.313 34.859 32.500 0.077 0.000 1.181 146 K HN 1.019 nan 8.250 nan 0.000 0.425 147 E N 1.655 121.916 120.200 0.102 0.000 2.383 147 E HA 0.423 4.773 4.350 0.000 0.000 0.275 147 E C -3.005 173.705 176.600 0.184 0.000 0.918 147 E CA -2.697 53.778 56.400 0.125 0.000 0.764 147 E CB 1.662 31.426 29.700 0.105 0.000 1.252 147 E HN 0.099 nan 8.360 nan 0.000 0.449 148 P HA 0.018 nan 4.420 nan 0.000 0.267 148 P C 0.287 177.769 177.300 0.304 0.000 1.200 148 P CA -0.018 63.265 63.100 0.306 0.000 0.772 148 P CB 0.661 32.645 31.700 0.473 0.000 0.855 149 I N 0.870 121.527 120.570 0.145 0.000 2.353 149 I HA 0.023 4.193 4.170 0.000 0.000 0.248 149 I C 1.008 177.073 176.117 -0.086 0.000 1.119 149 I CA 1.860 63.194 61.300 0.057 0.000 1.417 149 I CB -0.386 37.612 38.000 -0.004 0.000 1.078 149 I HN 0.670 nan 8.210 nan 0.000 0.421 150 G N -0.697 107.822 108.800 -0.469 0.000 2.260 150 G HA2 -0.042 3.918 3.960 0.000 0.000 0.250 150 G HA3 -0.042 3.918 3.960 0.000 0.000 0.250 150 G C -1.038 173.336 174.900 -0.877 0.000 1.340 150 G CA -0.302 44.088 45.100 -1.184 0.000 1.056 150 G HN -0.032 nan 8.290 nan 0.000 0.471 151 V N 0.507 120.042 119.914 -0.631 0.000 2.572 151 V HA 0.400 4.520 4.120 0.000 0.000 0.291 151 V C 0.699 176.663 176.094 -0.217 0.000 1.039 151 V CA -0.036 62.044 62.300 -0.366 0.000 1.055 151 V CB 0.246 31.932 31.823 -0.228 0.000 0.969 151 V HN 0.876 nan 8.190 nan 0.000 0.482 152 C N 4.116 123.327 119.300 -0.148 0.000 2.470 152 C HA 0.953 5.413 4.460 0.000 0.000 0.341 152 C C 0.471 175.436 174.990 -0.042 0.000 1.190 152 C CA -0.783 58.197 59.018 -0.062 0.000 1.904 152 C CB 1.068 28.834 27.740 0.043 0.000 2.354 152 C HN 1.012 nan 8.230 nan 0.000 0.509 153 A N 0.887 123.696 122.820 -0.018 0.000 2.414 153 A HA 0.936 5.256 4.320 0.000 0.000 0.306 153 A C -0.840 176.761 177.584 0.029 0.000 1.054 153 A CA -0.302 51.733 52.037 -0.004 0.000 0.724 153 A CB 1.159 20.151 19.000 -0.014 0.000 1.267 153 A HN 1.527 nan 8.150 nan 0.000 0.418 154 A N 1.743 124.586 122.820 0.039 0.000 2.371 154 A HA 0.765 5.085 4.320 0.000 0.000 0.311 154 A C -0.895 176.737 177.584 0.079 0.000 1.068 154 A CA -0.360 51.714 52.037 0.062 0.000 0.744 154 A CB 0.707 19.735 19.000 0.047 0.000 1.239 154 A HN 0.735 nan 8.150 nan 0.000 0.435 155 I N 2.777 123.429 120.570 0.138 0.000 2.382 155 I HA 0.404 4.574 4.170 0.000 0.000 0.286 155 I C 0.269 176.461 176.117 0.124 0.000 1.002 155 I CA -0.328 61.084 61.300 0.186 0.000 1.135 155 I CB 2.103 40.303 38.000 0.335 0.000 1.288 155 I HN 0.778 nan 8.210 nan 0.000 0.448 156 T N 4.150 118.740 114.554 0.060 0.000 2.912 156 T HA 0.686 5.036 4.350 0.000 0.000 0.288 156 T C -2.653 172.033 174.700 -0.024 0.000 1.030 156 T CA -1.942 60.144 62.100 -0.023 0.000 1.020 156 T CB 2.408 71.269 68.868 -0.011 0.000 1.056 156 T HN 0.248 nan 8.240 nan 0.000 0.480 157 P HA 0.351 nan 4.420 nan 0.000 0.321 157 P C 0.631 177.868 177.300 -0.106 0.000 1.304 157 P CA -0.762 62.235 63.100 -0.170 0.000 0.759 157 P CB 0.977 32.431 31.700 -0.410 0.000 1.385 158 W N 0.118 121.398 121.300 -0.034 0.000 2.907 158 W HA 0.047 4.707 4.660 0.000 0.000 0.271 158 W C 0.871 177.358 176.519 -0.053 0.000 1.253 158 W CA 0.579 57.905 57.345 -0.032 0.000 1.501 158 W CB -1.901 27.531 29.460 -0.046 0.000 1.047 158 W HN 0.244 nan 8.180 nan 0.000 0.610 159 N N 1.447 119.797 118.700 -0.584 0.000 2.244 159 N HA -0.154 4.586 4.740 0.000 0.000 0.183 159 N C -0.042 175.152 175.510 -0.525 0.000 1.016 159 N CA 1.133 53.858 53.050 -0.540 0.000 0.866 159 N CB -0.916 37.080 38.487 -0.818 0.000 0.980 159 N HN 0.004 nan 8.380 nan 0.000 0.430 160 F N -0.719 119.175 119.950 -0.094 0.000 2.686 160 F HA 0.421 4.948 4.527 0.000 0.000 0.365 160 F C -1.980 173.821 175.800 0.001 0.000 1.196 160 F CA -2.210 55.788 58.000 -0.003 0.000 1.198 160 F CB 2.215 41.220 39.000 0.009 0.000 1.454 160 F HN -0.120 nan 8.300 nan 0.000 0.539 161 P HA -0.059 nan 4.420 nan 0.000 0.226 161 P C 1.146 178.519 177.300 0.122 0.000 1.153 161 P CA 0.963 64.137 63.100 0.124 0.000 0.777 161 P CB 0.455 32.234 31.700 0.132 0.000 0.794 162 A N -0.043 122.864 122.820 0.145 0.000 1.909 162 A HA 0.358 4.678 4.320 0.000 0.000 0.209 162 A C 2.285 179.919 177.584 0.084 0.000 1.247 162 A CA 0.968 53.079 52.037 0.123 0.000 0.660 162 A CB -1.336 17.743 19.000 0.131 0.000 0.910 162 A HN 0.100 nan 8.150 nan 0.000 0.465 163 A N -0.276 122.615 122.820 0.118 0.000 1.892 163 A HA -0.203 4.117 4.320 0.000 0.000 0.218 163 A C 2.168 179.633 177.584 -0.200 0.000 1.188 163 A CA 2.228 54.243 52.037 -0.037 0.000 0.631 163 A CB -0.611 18.406 19.000 0.028 0.000 0.822 163 A HN 0.405 nan 8.150 nan 0.000 0.447 164 M N -1.198 118.340 119.600 -0.103 0.000 2.149 164 M HA -0.120 4.360 4.480 0.000 0.000 0.261 164 M C 2.062 178.286 176.300 -0.127 0.000 1.064 164 M CA 1.256 56.463 55.300 -0.155 0.000 1.102 164 M CB -1.244 31.313 32.600 -0.072 0.000 1.369 164 M HN 0.362 nan 8.290 nan 0.000 0.408 165 I N 0.466 121.011 120.570 -0.041 0.000 2.202 165 I HA -0.180 3.990 4.170 0.000 0.000 0.242 165 I C 2.596 178.723 176.117 0.017 0.000 1.091 165 I CA 1.562 62.875 61.300 0.021 0.000 1.368 165 I CB -0.938 37.123 38.000 0.101 0.000 1.058 165 I HN 0.205 nan 8.210 nan 0.000 0.410 166 A N -0.152 122.646 122.820 -0.036 0.000 1.930 166 A HA -0.185 4.135 4.320 0.000 0.000 0.217 166 A C 2.419 179.908 177.584 -0.158 0.000 1.175 166 A CA 1.328 53.331 52.037 -0.058 0.000 0.627 166 A CB -0.594 18.341 19.000 -0.108 0.000 0.815 166 A HN 0.311 nan 8.150 nan 0.000 0.443 167 R N -0.767 119.474 120.500 -0.432 0.000 2.241 167 R HA -0.069 4.271 4.340 0.000 0.000 0.224 167 R C 1.454 177.532 176.300 -0.371 0.000 1.101 167 R CA 1.444 57.159 56.100 -0.642 0.000 0.995 167 R CB -0.049 29.716 30.300 -0.893 0.000 0.870 167 R HN 0.493 nan 8.270 nan 0.000 0.463 168 K N -1.461 118.796 120.400 -0.237 0.000 2.474 168 K HA 0.113 4.433 4.320 0.000 0.000 0.202 168 K C 1.606 178.114 176.600 -0.154 0.000 1.248 168 K CA 0.108 56.303 56.287 -0.154 0.000 0.946 168 K CB 0.846 33.309 32.500 -0.062 0.000 1.102 168 K HN -0.078 nan 8.250 nan 0.000 0.541 169 V N 0.885 120.755 119.914 -0.074 0.000 2.446 169 V HA -0.061 4.059 4.120 0.000 0.000 0.244 169 V C 2.276 178.349 176.094 -0.034 0.000 1.039 169 V CA 2.119 64.410 62.300 -0.015 0.000 1.045 169 V CB -0.519 31.390 31.823 0.144 0.000 0.681 169 V HN 0.415 nan 8.190 nan 0.000 0.459 170 G N 1.723 110.536 108.800 0.021 0.000 2.491 170 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 170 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 170 G C 0.038 174.784 174.900 -0.258 0.000 1.180 170 G CA 1.391 46.528 45.100 0.062 0.000 0.774 170 G HN 0.551 nan 8.290 nan 0.000 0.562 171 P HA 0.003 nan 4.420 nan 0.000 0.216 171 P C 2.119 178.936 177.300 -0.804 0.000 1.153 171 P CA 1.909 64.329 63.100 -1.134 0.000 0.844 171 P CB -0.193 30.530 31.700 -1.629 0.000 0.787 172 A N 0.053 122.329 122.820 -0.905 0.000 1.883 172 A HA -0.176 4.144 4.320 0.000 0.000 0.217 172 A C 2.251 179.809 177.584 -0.044 0.000 1.186 172 A CA 1.688 53.469 52.037 -0.426 0.000 0.624 172 A CB -1.696 17.184 19.000 -0.201 0.000 0.822 172 A HN 0.084 nan 8.150 nan 0.000 0.444 173 L N -0.537 120.699 121.223 0.021 0.000 2.083 173 L HA -0.091 4.249 4.340 0.000 0.000 0.209 173 L C 2.939 180.056 176.870 0.412 0.000 1.083 173 L CA 1.796 56.827 54.840 0.318 0.000 0.752 173 L CB -0.709 41.492 42.059 0.237 0.000 0.899 173 L HN 0.400 nan 8.230 nan 0.000 0.433 174 A N -0.967 121.972 122.820 0.198 0.000 1.969 174 A HA -0.050 4.270 4.320 0.000 0.000 0.218 174 A C 2.453 180.110 177.584 0.121 0.000 1.169 174 A CA 1.410 53.547 52.037 0.166 0.000 0.635 174 A CB -0.745 18.363 19.000 0.180 0.000 0.810 174 A HN 0.365 nan 8.150 nan 0.000 0.445 175 A N -1.728 121.159 122.820 0.112 0.000 1.969 175 A HA 0.347 4.667 4.320 0.000 0.000 0.218 175 A C 1.830 179.513 177.584 0.165 0.000 1.169 175 A CA 1.769 53.888 52.037 0.136 0.000 0.635 175 A CB -0.662 18.436 19.000 0.164 0.000 0.810 175 A HN 1.836 nan 8.150 nan 0.000 0.445 176 G N -3.053 105.892 108.800 0.242 0.000 2.151 176 G HA2 -0.097 3.863 3.960 0.000 0.000 0.140 176 G HA3 -0.097 3.863 3.960 0.000 0.000 0.140 176 G C -0.135 175.120 174.900 0.591 0.000 1.020 176 G CA -0.234 45.028 45.100 0.270 0.000 0.688 176 G HN 0.592 nan 8.290 nan 0.000 0.500 177 C N 1.743 121.322 119.300 0.466 0.000 2.391 177 C HA 0.858 5.318 4.460 0.000 0.000 0.339 177 C C -1.772 173.262 174.990 0.073 0.000 1.205 177 C CA -1.396 57.723 59.018 0.168 0.000 1.937 177 C CB 1.945 29.703 27.740 0.030 0.000 2.341 177 C HN 0.402 nan 8.230 nan 0.000 0.516 178 P HA 0.606 nan 4.420 nan 0.000 0.285 178 P C -1.185 176.009 177.300 -0.176 0.000 1.269 178 P CA -0.349 62.624 63.100 -0.212 0.000 0.844 178 P CB 1.423 33.027 31.700 -0.160 0.000 1.094 179 I N 0.819 121.287 120.570 -0.170 0.000 2.607 179 I HA 0.295 4.465 4.170 0.000 0.000 0.290 179 I C -1.400 174.658 176.117 -0.098 0.000 1.129 179 I CA -1.196 60.037 61.300 -0.111 0.000 1.042 179 I CB 2.156 40.108 38.000 -0.081 0.000 1.242 179 I HN -0.060 nan 8.210 nan 0.000 0.421 180 V N 7.810 127.682 119.914 -0.070 0.000 2.350 180 V HA 0.385 4.505 4.120 0.000 0.000 0.276 180 V C -0.193 175.887 176.094 -0.023 0.000 1.028 180 V CA -0.496 61.772 62.300 -0.053 0.000 0.860 180 V CB 1.314 33.105 31.823 -0.053 0.000 0.990 180 V HN 0.435 nan 8.190 nan 0.000 0.453 181 V N 5.316 125.223 119.914 -0.011 0.000 2.459 181 V HA 0.513 4.633 4.120 0.000 0.000 0.295 181 V C 0.084 176.193 176.094 0.025 0.000 1.029 181 V CA -0.824 61.484 62.300 0.014 0.000 0.874 181 V CB 1.885 33.719 31.823 0.020 0.000 0.985 181 V HN 0.800 nan 8.190 nan 0.000 0.438 182 K N 7.405 127.828 120.400 0.039 0.000 2.449 182 K HA 0.495 4.815 4.320 0.000 0.000 0.257 182 K C -2.900 173.739 176.600 0.065 0.000 0.989 182 K CA -1.649 54.667 56.287 0.049 0.000 0.916 182 K CB 2.511 35.038 32.500 0.045 0.000 1.136 182 K HN 0.404 nan 8.250 nan 0.000 0.439 183 P HA 0.244 nan 4.420 nan 0.000 0.284 183 P C -0.857 176.496 177.300 0.088 0.000 1.292 183 P CA -0.652 62.491 63.100 0.071 0.000 0.800 183 P CB 0.606 32.345 31.700 0.064 0.000 1.188 184 A N 1.076 123.961 122.820 0.108 0.000 2.488 184 A HA 0.104 4.424 4.320 0.000 0.000 0.249 184 A C 1.447 179.104 177.584 0.122 0.000 1.083 184 A CA -0.248 51.875 52.037 0.144 0.000 0.768 184 A CB -0.290 18.857 19.000 0.246 0.000 1.017 184 A HN 0.551 nan 8.150 nan 0.000 0.496 185 E N 2.364 122.613 120.200 0.082 0.000 2.204 185 E HA -0.146 4.204 4.350 0.000 0.000 0.195 185 E C 1.673 178.357 176.600 0.140 0.000 0.990 185 E CA 1.430 57.880 56.400 0.083 0.000 0.821 185 E CB -0.598 28.958 29.700 -0.240 0.000 0.750 185 E HN 0.599 nan 8.360 nan 0.000 0.477 186 S N 0.589 116.330 115.700 0.069 0.000 2.515 186 S HA -0.039 4.431 4.470 0.000 0.000 0.231 186 S C 0.563 175.213 174.600 0.084 0.000 0.987 186 S CA 1.046 59.274 58.200 0.047 0.000 0.936 186 S CB -0.112 63.029 63.200 -0.099 0.000 0.766 186 S HN 0.418 nan 8.310 nan 0.000 0.528 187 T N -0.823 113.793 114.554 0.103 0.000 3.477 187 T HA 0.422 4.772 4.350 0.000 0.000 0.277 187 T C -2.799 171.918 174.700 0.029 0.000 1.090 187 T CA -0.932 61.229 62.100 0.103 0.000 1.635 187 T CB 1.369 70.341 68.868 0.172 0.000 0.817 187 T HN -0.017 nan 8.240 nan 0.000 0.609 188 P HA 0.286 nan 4.420 nan 0.000 0.238 188 P C 0.953 178.118 177.300 -0.226 0.000 1.183 188 P CA -0.142 62.817 63.100 -0.235 0.000 0.813 188 P CB -0.098 31.354 31.700 -0.414 0.000 0.944 189 F N 0.176 120.127 119.950 0.002 0.000 2.259 189 F HA -0.063 4.464 4.527 0.000 0.000 0.298 189 F C 2.302 178.107 175.800 0.008 0.000 1.088 189 F CA 1.199 59.176 58.000 -0.039 0.000 1.358 189 F CB -1.349 37.596 39.000 -0.092 0.000 1.040 189 F HN -0.136 nan 8.300 nan 0.000 0.505 190 S N 0.074 115.890 115.700 0.193 0.000 2.383 190 S HA -0.110 4.361 4.470 0.000 0.000 0.227 190 S C 2.382 177.070 174.600 0.147 0.000 1.026 190 S CA 0.933 59.226 58.200 0.155 0.000 0.981 190 S CB -0.610 62.674 63.200 0.140 0.000 0.818 190 S HN 0.358 nan 8.310 nan 0.000 0.472 191 A N 1.620 124.515 122.820 0.123 0.000 1.873 191 A HA 0.055 4.375 4.320 0.000 0.000 0.215 191 A C 2.110 179.779 177.584 0.142 0.000 1.186 191 A CA 1.019 53.129 52.037 0.122 0.000 0.616 191 A CB -0.726 18.326 19.000 0.087 0.000 0.823 191 A HN 0.428 nan 8.150 nan 0.000 0.442 192 L N -0.675 120.634 121.223 0.144 0.000 2.046 192 L HA -0.196 4.144 4.340 0.000 0.000 0.208 192 L C 3.095 180.121 176.870 0.260 0.000 1.077 192 L CA 1.078 56.053 54.840 0.224 0.000 0.747 192 L CB -0.573 41.612 42.059 0.210 0.000 0.896 192 L HN 0.436 nan 8.230 nan 0.000 0.432 193 A N -0.585 122.351 122.820 0.193 0.000 1.933 193 A HA -0.271 4.049 4.320 0.000 0.000 0.218 193 A C 2.241 179.990 177.584 0.276 0.000 1.175 193 A CA 2.001 54.156 52.037 0.197 0.000 0.628 193 A CB -0.450 18.633 19.000 0.138 0.000 0.814 193 A HN 0.335 nan 8.150 nan 0.000 0.444 194 M N -0.284 119.476 119.600 0.267 0.000 2.099 194 M HA 0.008 4.488 4.480 0.000 0.000 0.262 194 M C 2.271 178.758 176.300 0.310 0.000 1.067 194 M CA 1.586 57.112 55.300 0.377 0.000 1.124 194 M CB -0.466 32.360 32.600 0.377 0.000 1.353 194 M HN 0.405 nan 8.290 nan 0.000 0.410 195 A N -0.544 122.356 122.820 0.133 0.000 1.865 195 A HA -0.228 4.092 4.320 0.000 0.000 0.217 195 A C 2.101 179.600 177.584 -0.143 0.000 1.191 195 A CA 1.899 53.849 52.037 -0.146 0.000 0.623 195 A CB -1.426 17.410 19.000 -0.274 0.000 0.826 195 A HN 0.580 nan 8.150 nan 0.000 0.444 196 F N 0.529 120.502 119.950 0.039 0.000 2.120 196 F HA -0.188 4.339 4.527 0.000 0.000 0.300 196 F C 1.916 177.748 175.800 0.053 0.000 1.095 196 F CA 1.810 59.895 58.000 0.142 0.000 1.249 196 F CB -0.230 38.828 39.000 0.097 0.000 0.995 196 F HN 0.147 nan 8.300 nan 0.000 0.480 197 L N -0.909 120.403 121.223 0.148 0.000 2.217 197 L HA -0.098 4.242 4.340 0.000 0.000 0.211 197 L C 2.655 179.522 176.870 -0.005 0.000 1.107 197 L CA 0.801 55.724 54.840 0.138 0.000 0.783 197 L CB -1.009 41.273 42.059 0.371 0.000 0.919 197 L HN 0.209 nan 8.230 nan 0.000 0.442 198 A N -0.047 122.569 122.820 -0.340 0.000 1.872 198 A HA -0.230 4.090 4.320 0.000 0.000 0.214 198 A C 2.233 179.570 177.584 -0.411 0.000 1.187 198 A CA 1.536 53.089 52.037 -0.806 0.000 0.614 198 A CB -0.490 17.828 19.000 -1.137 0.000 0.826 198 A HN 0.408 nan 8.150 nan 0.000 0.442 199 E N -0.150 119.855 120.200 -0.324 0.000 2.048 199 E HA -0.282 4.068 4.350 0.000 0.000 0.202 199 E C 2.284 178.781 176.600 -0.171 0.000 1.021 199 E CA 1.595 57.881 56.400 -0.190 0.000 0.825 199 E CB -0.203 29.413 29.700 -0.140 0.000 0.756 199 E HN 0.522 nan 8.360 nan 0.000 0.454 200 R N -0.352 120.001 120.500 -0.246 0.000 2.105 200 R HA -0.154 4.186 4.340 0.000 0.000 0.239 200 R C 2.368 178.624 176.300 -0.073 0.000 1.135 200 R CA 1.038 57.025 56.100 -0.189 0.000 0.967 200 R CB -0.364 29.786 30.300 -0.250 0.000 0.861 200 R HN 0.235 nan 8.270 nan 0.000 0.442 201 A N -0.236 122.555 122.820 -0.049 0.000 2.019 201 A HA -0.013 4.307 4.320 0.000 0.000 0.219 201 A C 1.543 179.144 177.584 0.029 0.000 1.164 201 A CA 1.672 53.730 52.037 0.036 0.000 0.644 201 A CB -0.163 18.896 19.000 0.098 0.000 0.805 201 A HN 0.518 nan 8.150 nan 0.000 0.449 202 G N -2.589 106.199 108.800 -0.019 0.000 2.164 202 G HA2 -0.081 3.879 3.960 0.000 0.000 0.154 202 G HA3 -0.081 3.879 3.960 0.000 0.000 0.154 202 G C 0.011 174.917 174.900 0.010 0.000 1.014 202 G CA -0.146 44.962 45.100 0.013 0.000 0.683 202 G HN 0.715 nan 8.290 nan 0.000 0.500 203 V N 2.356 122.220 119.914 -0.083 0.000 2.458 203 V HA 0.250 4.370 4.120 0.000 0.000 0.287 203 V C -0.982 175.028 176.094 -0.140 0.000 1.009 203 V CA -0.501 61.691 62.300 -0.181 0.000 1.091 203 V CB 0.623 32.232 31.823 -0.357 0.000 0.960 203 V HN 0.204 nan 8.190 nan 0.000 0.476 204 P HA 0.235 nan 4.420 nan 0.000 0.268 204 P C 0.055 177.283 177.300 -0.119 0.000 1.208 204 P CA -0.028 63.039 63.100 -0.055 0.000 0.777 204 P CB 0.355 32.077 31.700 0.037 0.000 0.875 205 K N 1.358 121.704 120.400 -0.090 0.000 2.451 205 K HA 0.418 4.738 4.320 0.000 0.000 0.280 205 K C 1.338 177.846 176.600 -0.155 0.000 1.020 205 K CA 0.209 56.410 56.287 -0.144 0.000 1.008 205 K CB -1.071 31.353 32.500 -0.128 0.000 0.917 205 K HN 0.916 nan 8.250 nan 0.000 0.478 206 G N 0.138 108.810 108.800 -0.214 0.000 2.258 206 G HA2 -0.275 3.685 3.960 0.000 0.000 0.233 206 G HA3 -0.275 3.685 3.960 0.000 0.000 0.233 206 G C 1.344 176.130 174.900 -0.191 0.000 1.006 206 G CA 0.534 45.527 45.100 -0.179 0.000 0.620 206 G HN 1.097 nan 8.290 nan 0.000 0.511 207 V N 0.151 119.911 119.914 -0.256 0.000 2.667 207 V HA 0.372 4.492 4.120 0.000 0.000 0.252 207 V C 0.937 176.816 176.094 -0.357 0.000 1.065 207 V CA 1.918 63.980 62.300 -0.398 0.000 1.083 207 V CB 0.180 31.560 31.823 -0.738 0.000 0.692 207 V HN 0.567 nan 8.190 nan 0.000 0.468 208 L N -0.750 120.312 121.223 -0.270 0.000 2.431 208 L HA 0.690 5.030 4.340 0.000 0.000 0.266 208 L C -0.779 176.026 176.870 -0.108 0.000 0.978 208 L CA 0.100 54.829 54.840 -0.185 0.000 0.822 208 L CB 2.299 44.233 42.059 -0.208 0.000 1.310 208 L HN -0.059 nan 8.230 nan 0.000 0.409 209 S N 3.045 118.695 115.700 -0.084 0.000 2.548 209 S HA 0.802 5.272 4.470 0.000 0.000 0.276 209 S C -1.368 173.227 174.600 -0.008 0.000 1.129 209 S CA -0.585 57.570 58.200 -0.075 0.000 0.931 209 S CB 2.074 65.189 63.200 -0.141 0.000 1.068 209 S HN 0.401 nan 8.310 nan 0.000 0.480 210 V N 3.102 123.039 119.914 0.038 0.000 2.376 210 V HA 0.486 4.607 4.120 0.000 0.000 0.287 210 V C -0.671 175.446 176.094 0.039 0.000 1.015 210 V CA -0.670 61.657 62.300 0.044 0.000 0.834 210 V CB 1.482 33.346 31.823 0.068 0.000 1.001 210 V HN 0.686 nan 8.190 nan 0.000 0.428 211 V N 6.637 126.568 119.914 0.028 0.000 2.357 211 V HA 0.530 4.650 4.120 0.000 0.000 0.284 211 V C -0.273 175.853 176.094 0.052 0.000 1.018 211 V CA -0.381 61.937 62.300 0.029 0.000 0.841 211 V CB 1.449 33.279 31.823 0.011 0.000 0.991 211 V HN 0.685 nan 8.190 nan 0.000 0.437 212 I N 4.166 124.778 120.570 0.069 0.000 2.460 212 I HA 0.946 5.116 4.170 0.000 0.000 0.298 212 I C 0.785 177.001 176.117 0.164 0.000 0.989 212 I CA 0.491 61.861 61.300 0.117 0.000 1.173 212 I CB 1.675 39.725 38.000 0.083 0.000 1.338 212 I HN 0.852 nan 8.210 nan 0.000 0.456 213 G N 3.679 112.611 108.800 0.219 0.000 2.373 213 G HA2 0.009 3.969 3.960 0.000 0.000 0.250 213 G HA3 0.009 3.969 3.960 0.000 0.000 0.250 213 G C -1.440 173.478 174.900 0.029 0.000 1.304 213 G CA -0.911 44.304 45.100 0.192 0.000 0.948 213 G HN 0.515 nan 8.290 nan 0.000 0.474 214 D N 1.448 121.851 120.400 0.006 0.000 2.502 214 D HA 0.218 4.858 4.640 0.000 0.000 0.249 214 D C -0.816 175.463 176.300 -0.035 0.000 1.188 214 D CA -0.963 53.012 54.000 -0.040 0.000 0.890 214 D CB 1.486 42.276 40.800 -0.017 0.000 1.140 214 D HN -0.021 nan 8.370 nan 0.000 0.505 215 P HA -0.123 nan 4.420 nan 0.000 0.216 215 P C 1.226 178.509 177.300 -0.028 0.000 1.153 215 P CA 2.130 65.211 63.100 -0.033 0.000 0.848 215 P CB 0.120 31.796 31.700 -0.040 0.000 0.787 216 K N 0.188 120.567 120.400 -0.034 0.000 2.001 216 K HA 0.019 4.339 4.320 0.000 0.000 0.208 216 K C 2.309 178.892 176.600 -0.028 0.000 1.048 216 K CA 1.823 58.090 56.287 -0.033 0.000 0.932 216 K CB -1.798 30.683 32.500 -0.031 0.000 0.715 216 K HN 0.161 nan 8.250 nan 0.000 0.437 217 A N 0.720 123.527 122.820 -0.022 0.000 1.930 217 A HA 0.055 4.375 4.320 0.000 0.000 0.217 217 A C 2.458 180.034 177.584 -0.014 0.000 1.175 217 A CA 1.555 53.582 52.037 -0.016 0.000 0.627 217 A CB -0.344 18.651 19.000 -0.009 0.000 0.815 217 A HN 0.499 nan 8.150 nan 0.000 0.443 218 I N -0.499 120.065 120.570 -0.010 0.000 2.233 218 I HA -0.135 4.035 4.170 0.000 0.000 0.243 218 I C 2.758 178.866 176.117 -0.015 0.000 1.093 218 I CA 1.025 62.320 61.300 -0.007 0.000 1.380 218 I CB -0.744 37.259 38.000 0.005 0.000 1.067 218 I HN 0.371 nan 8.210 nan 0.000 0.413 219 G N 0.479 109.267 108.800 -0.021 0.000 2.469 219 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 219 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 219 G C 1.652 176.526 174.900 -0.044 0.000 1.150 219 G CA 1.643 46.721 45.100 -0.038 0.000 0.763 219 G HN 0.308 nan 8.290 nan 0.000 0.561 220 T N 0.423 114.954 114.554 -0.039 0.000 2.867 220 T HA -0.042 4.308 4.350 0.000 0.000 0.268 220 T C 2.172 176.854 174.700 -0.030 0.000 1.057 220 T CA 1.551 63.629 62.100 -0.037 0.000 1.136 220 T CB -0.046 68.803 68.868 -0.031 0.000 0.874 220 T HN 0.422 nan 8.240 nan 0.000 0.466 221 E N 1.318 121.503 120.200 -0.026 0.000 2.047 221 E HA -0.022 4.328 4.350 0.000 0.000 0.191 221 E C 1.985 178.569 176.600 -0.026 0.000 0.987 221 E CA 0.976 57.362 56.400 -0.023 0.000 0.799 221 E CB -0.556 29.132 29.700 -0.019 0.000 0.752 221 E HN 0.496 nan 8.360 nan 0.000 0.449 222 I N 0.774 121.327 120.570 -0.028 0.000 2.118 222 I HA -0.343 3.827 4.170 0.000 0.000 0.241 222 I C 2.446 178.542 176.117 -0.035 0.000 1.070 222 I CA 2.041 63.322 61.300 -0.030 0.000 1.327 222 I CB -0.728 37.257 38.000 -0.026 0.000 1.034 222 I HN 0.320 nan 8.210 nan 0.000 0.405 223 T N -2.084 112.446 114.554 -0.040 0.000 2.867 223 T HA -0.117 4.233 4.350 0.000 0.000 0.268 223 T C 1.825 176.503 174.700 -0.036 0.000 1.057 223 T CA 1.277 63.351 62.100 -0.044 0.000 1.136 223 T CB -0.555 68.280 68.868 -0.056 0.000 0.874 223 T HN 0.467 nan 8.240 nan 0.000 0.466 224 S N 0.718 116.400 115.700 -0.031 0.000 2.501 224 S HA 0.114 4.584 4.470 0.000 0.000 0.220 224 S C 0.949 175.536 174.600 -0.022 0.000 0.997 224 S CA -0.444 57.741 58.200 -0.025 0.000 0.919 224 S CB -0.613 62.573 63.200 -0.023 0.000 0.778 224 S HN 0.403 nan 8.310 nan 0.000 0.523 225 N N 3.813 122.499 118.700 -0.024 0.000 2.431 225 N HA 0.185 4.925 4.740 0.000 0.000 0.265 225 N C -1.694 173.803 175.510 -0.022 0.000 1.184 225 N CA -1.550 51.487 53.050 -0.022 0.000 0.943 225 N CB 1.411 39.884 38.487 -0.024 0.000 1.080 225 N HN 0.149 nan 8.380 nan 0.000 0.477 226 P HA -0.092 nan 4.420 nan 0.000 0.222 226 P C 1.474 178.767 177.300 -0.013 0.000 1.147 226 P CA 0.876 63.969 63.100 -0.012 0.000 0.790 226 P CB 0.407 32.105 31.700 -0.004 0.000 0.780 227 I N -0.701 119.860 120.570 -0.015 0.000 2.454 227 I HA -0.118 4.052 4.170 0.000 0.000 0.254 227 I C 0.903 176.990 176.117 -0.050 0.000 1.156 227 I CA 0.681 61.969 61.300 -0.019 0.000 1.433 227 I CB -0.334 37.658 38.000 -0.013 0.000 1.082 227 I HN -0.253 nan 8.210 nan 0.000 0.432 228 V N 2.444 122.327 119.914 -0.051 0.000 2.415 228 V HA 0.051 4.171 4.120 0.000 0.000 0.267 228 V C 1.226 177.279 176.094 -0.067 0.000 1.042 228 V CA 0.393 62.653 62.300 -0.068 0.000 1.000 228 V CB 0.635 32.425 31.823 -0.054 0.000 1.015 228 V HN 0.287 nan 8.190 nan 0.000 0.478 229 R N 3.126 123.570 120.500 -0.093 0.000 2.254 229 R HA 0.173 4.513 4.340 0.000 0.000 0.193 229 R C 0.542 176.792 176.300 -0.083 0.000 0.929 229 R CA 0.206 56.258 56.100 -0.080 0.000 1.038 229 R CB 0.461 30.707 30.300 -0.090 0.000 1.009 229 R HN 0.715 nan 8.270 nan 0.000 0.512 230 K N 0.525 120.866 120.400 -0.099 0.000 2.464 230 K HA 0.366 4.686 4.320 0.000 0.000 0.253 230 K C -1.693 174.855 176.600 -0.086 0.000 0.933 230 K CA -0.884 55.337 56.287 -0.110 0.000 0.801 230 K CB 1.979 34.373 32.500 -0.176 0.000 1.271 230 K HN -0.141 nan 8.250 nan 0.000 0.430 231 L N 1.552 122.733 121.223 -0.071 0.000 2.386 231 L HA 0.578 4.918 4.340 0.000 0.000 0.271 231 L C -1.338 175.525 176.870 -0.011 0.000 0.993 231 L CA -0.005 54.818 54.840 -0.029 0.000 0.819 231 L CB 2.261 44.308 42.059 -0.019 0.000 1.294 231 L HN 0.799 nan 8.230 nan 0.000 0.414 232 S N 4.115 119.836 115.700 0.035 0.000 2.482 232 S HA 0.779 5.249 4.470 0.000 0.000 0.303 232 S C -1.427 173.272 174.600 0.167 0.000 1.091 232 S CA -0.381 57.861 58.200 0.069 0.000 1.057 232 S CB 0.613 63.850 63.200 0.063 0.000 1.031 232 S HN 0.519 nan 8.310 nan 0.000 0.485 233 F N 3.081 123.028 119.950 -0.005 0.000 2.574 233 F HA 0.601 5.128 4.527 0.000 0.000 0.313 233 F C -0.754 175.053 175.800 0.011 0.000 1.130 233 F CA -0.224 57.776 58.000 0.001 0.000 0.936 233 F CB 1.834 40.835 39.000 0.001 0.000 1.219 233 F HN 0.449 nan 8.300 nan 0.000 0.445 234 T N 4.417 118.451 114.554 -0.866 0.000 2.807 234 T HA 0.874 5.224 4.350 0.000 0.000 0.279 234 T C -0.092 173.810 174.700 -1.329 0.000 0.993 234 T CA -0.191 61.402 62.100 -0.845 0.000 0.970 234 T CB 1.325 69.965 68.868 -0.380 0.000 0.950 234 T HN 1.180 nan 8.240 nan 0.000 0.441 235 G N 1.530 109.752 108.800 -0.963 0.000 2.350 235 G HA2 0.367 4.327 3.960 0.000 0.000 0.276 235 G HA3 0.367 4.327 3.960 0.000 0.000 0.276 235 G C -0.565 174.310 174.900 -0.040 0.000 1.313 235 G CA -0.341 44.465 45.100 -0.490 0.000 0.903 235 G HN 1.032 nan 8.290 nan 0.000 0.490 236 S N -0.367 115.457 115.700 0.207 0.000 2.562 236 S HA 0.404 4.874 4.470 0.000 0.000 0.281 236 S C 1.594 176.388 174.600 0.323 0.000 1.333 236 S CA 1.189 59.529 58.200 0.234 0.000 1.052 236 S CB 1.066 64.387 63.200 0.202 0.000 0.884 236 S HN 1.164 nan 8.310 nan 0.000 0.506 237 T N 3.772 118.500 114.554 0.290 0.000 2.737 237 T HA -0.171 4.179 4.350 0.000 0.000 0.269 237 T C 2.155 176.980 174.700 0.209 0.000 1.040 237 T CA 1.752 64.025 62.100 0.290 0.000 1.142 237 T CB -0.913 68.190 68.868 0.390 0.000 0.861 237 T HN 0.899 nan 8.240 nan 0.000 0.456 238 A N 0.980 123.912 122.820 0.186 0.000 1.908 238 A HA -0.075 4.245 4.320 0.000 0.000 0.218 238 A C 2.616 180.237 177.584 0.063 0.000 1.181 238 A CA 1.681 53.786 52.037 0.115 0.000 0.627 238 A CB -0.970 18.095 19.000 0.109 0.000 0.818 238 A HN 0.399 nan 8.150 nan 0.000 0.445 239 V N -0.261 119.696 119.914 0.072 0.000 2.453 239 V HA -0.090 4.030 4.120 0.000 0.000 0.247 239 V C 2.812 178.763 176.094 -0.238 0.000 1.048 239 V CA 1.619 63.870 62.300 -0.081 0.000 1.049 239 V CB -1.492 30.284 31.823 -0.078 0.000 0.672 239 V HN 0.601 nan 8.190 nan 0.000 0.457 240 G N 0.119 108.876 108.800 -0.071 0.000 2.440 240 G HA2 -0.275 3.685 3.960 0.000 0.000 0.218 240 G HA3 -0.275 3.685 3.960 0.000 0.000 0.218 240 G C 1.762 176.640 174.900 -0.037 0.000 1.154 240 G CA 0.878 45.959 45.100 -0.031 0.000 0.767 240 G HN 0.420 nan 8.290 nan 0.000 0.552 241 R N -0.289 120.214 120.500 0.005 0.000 2.091 241 R HA 0.040 4.380 4.340 0.000 0.000 0.238 241 R C 2.634 178.910 176.300 -0.040 0.000 1.136 241 R CA 1.115 57.212 56.100 -0.005 0.000 0.959 241 R CB -0.393 29.915 30.300 0.012 0.000 0.856 241 R HN 0.359 nan 8.270 nan 0.000 0.437 242 L N 0.228 121.412 121.223 -0.066 0.000 2.109 242 L HA -0.130 4.210 4.340 0.000 0.000 0.207 242 L C 2.313 179.118 176.870 -0.108 0.000 1.086 242 L CA 0.940 55.733 54.840 -0.078 0.000 0.760 242 L CB -0.428 41.582 42.059 -0.081 0.000 0.910 242 L HN 0.192 nan 8.230 nan 0.000 0.437 243 L N -0.644 120.474 121.223 -0.174 0.000 2.046 243 L HA -0.260 4.080 4.340 0.000 0.000 0.208 243 L C 2.699 179.505 176.870 -0.106 0.000 1.077 243 L CA 1.472 56.200 54.840 -0.186 0.000 0.747 243 L CB -0.373 41.487 42.059 -0.331 0.000 0.896 243 L HN 0.369 nan 8.230 nan 0.000 0.432 244 M N -0.280 119.273 119.600 -0.078 0.000 2.086 244 M HA -0.215 4.265 4.480 0.000 0.000 0.261 244 M C 2.365 178.641 176.300 -0.040 0.000 1.067 244 M CA 2.088 57.362 55.300 -0.043 0.000 1.116 244 M CB -0.102 32.484 32.600 -0.022 0.000 1.348 244 M HN 0.250 nan 8.290 nan 0.000 0.407 245 A N -0.100 122.695 122.820 -0.042 0.000 1.902 245 A HA -0.231 4.089 4.320 0.000 0.000 0.217 245 A C 1.906 179.468 177.584 -0.038 0.000 1.181 245 A CA 1.870 53.886 52.037 -0.035 0.000 0.623 245 A CB -0.820 18.160 19.000 -0.033 0.000 0.818 245 A HN 0.716 nan 8.150 nan 0.000 0.443 246 Q N -0.484 119.287 119.800 -0.049 0.000 2.291 246 Q HA -0.039 4.301 4.340 0.000 0.000 0.205 246 Q C 1.851 177.825 176.000 -0.043 0.000 0.970 246 Q CA 1.369 57.144 55.803 -0.047 0.000 0.876 246 Q CB -0.031 28.671 28.738 -0.060 0.000 0.935 246 Q HN 0.587 nan 8.270 nan 0.000 0.455 247 S N -0.130 115.544 115.700 -0.044 0.000 2.593 247 S HA 0.127 4.597 4.470 0.000 0.000 0.217 247 S C 1.653 176.235 174.600 -0.030 0.000 0.966 247 S CA 0.347 58.524 58.200 -0.038 0.000 0.914 247 S CB 0.253 63.429 63.200 -0.041 0.000 0.776 247 S HN 0.423 nan 8.310 nan 0.000 0.523 248 A N 2.793 125.597 122.820 -0.027 0.000 1.898 248 A HA 0.036 4.356 4.320 0.000 0.000 0.216 248 A C -0.255 177.319 177.584 -0.018 0.000 1.181 248 A CA 1.094 53.118 52.037 -0.021 0.000 0.620 248 A CB -1.711 17.277 19.000 -0.020 0.000 0.819 248 A HN 0.351 nan 8.150 nan 0.000 0.442 249 P HA -0.070 nan 4.420 nan 0.000 0.225 249 P C 0.886 178.179 177.300 -0.012 0.000 1.148 249 P CA 1.806 64.897 63.100 -0.014 0.000 0.779 249 P CB -0.061 31.630 31.700 -0.015 0.000 0.780 250 T N -6.212 108.333 114.554 -0.015 0.000 3.145 250 T HA 0.198 4.548 4.350 0.000 0.000 0.281 250 T C 0.436 175.127 174.700 -0.014 0.000 1.003 250 T CA -0.405 61.688 62.100 -0.013 0.000 0.901 250 T CB -0.715 68.144 68.868 -0.016 0.000 1.112 250 T HN -0.203 nan 8.240 nan 0.000 0.535 251 V N 1.559 121.464 119.914 -0.015 0.000 5.691 251 V HA -0.229 3.891 4.120 0.000 0.000 0.288 251 V C 0.378 176.461 176.094 -0.018 0.000 0.615 251 V CA 0.903 63.195 62.300 -0.014 0.000 0.619 251 V CB -1.940 29.878 31.823 -0.007 0.000 0.296 251 V HN 0.678 nan 8.190 nan 0.000 0.834 252 K N 0.656 121.040 120.400 -0.025 0.000 2.237 252 K HA 0.379 4.699 4.320 0.000 0.000 0.270 252 K C 0.301 176.878 176.600 -0.039 0.000 1.015 252 K CA -0.769 55.498 56.287 -0.034 0.000 0.949 252 K CB 0.838 33.315 32.500 -0.039 0.000 0.976 252 K HN 0.273 nan 8.250 nan 0.000 0.472 253 K N 2.889 123.258 120.400 -0.051 0.000 2.349 253 K HA 0.121 4.441 4.320 0.000 0.000 0.288 253 K C -1.090 175.463 176.600 -0.078 0.000 1.058 253 K CA -0.148 56.101 56.287 -0.063 0.000 0.953 253 K CB 0.254 32.707 32.500 -0.077 0.000 0.997 253 K HN 0.233 nan 8.250 nan 0.000 0.477 254 L N 3.827 125.014 121.223 -0.059 0.000 2.341 254 L HA 0.454 4.794 4.340 0.000 0.000 0.278 254 L C -0.358 176.486 176.870 -0.043 0.000 1.005 254 L CA -0.166 54.648 54.840 -0.043 0.000 0.818 254 L CB 1.879 43.930 42.059 -0.013 0.000 1.259 254 L HN 0.678 nan 8.230 nan 0.000 0.418 255 T N 4.990 119.521 114.554 -0.040 0.000 2.758 255 T HA 0.688 5.038 4.350 0.000 0.000 0.285 255 T C -0.327 174.405 174.700 0.053 0.000 0.981 255 T CA -0.267 61.827 62.100 -0.009 0.000 0.965 255 T CB 0.451 69.299 68.868 -0.035 0.000 0.927 255 T HN 0.263 nan 8.240 nan 0.000 0.448 256 L N 3.605 124.870 121.223 0.070 0.000 2.343 256 L HA 0.480 4.820 4.340 0.000 0.000 0.278 256 L C 0.180 177.098 176.870 0.080 0.000 0.996 256 L CA -0.786 54.127 54.840 0.121 0.000 0.831 256 L CB 1.611 43.765 42.059 0.158 0.000 1.232 256 L HN 0.446 nan 8.230 nan 0.000 0.413 257 E N 5.500 125.721 120.200 0.036 0.000 2.079 257 E HA 0.369 4.719 4.350 0.000 0.000 0.252 257 E C -0.194 176.402 176.600 -0.007 0.000 0.992 257 E CA -0.179 56.240 56.400 0.032 0.000 0.829 257 E CB 1.452 31.183 29.700 0.051 0.000 1.158 257 E HN 0.547 nan 8.360 nan 0.000 0.435 258 L N 0.030 121.292 121.223 0.064 0.000 2.945 258 L HA 0.463 4.803 4.340 0.000 0.000 0.171 258 L C 1.298 178.224 176.870 0.092 0.000 1.669 258 L CA -0.804 54.099 54.840 0.106 0.000 1.963 258 L CB -0.137 42.041 42.059 0.197 0.000 2.719 258 L HN 0.325 nan 8.230 nan 0.000 0.570 259 G N -1.517 107.357 108.800 0.123 0.000 2.537 259 G HA2 0.501 4.461 3.960 0.000 0.000 0.273 259 G HA3 0.501 4.461 3.960 0.000 0.000 0.273 259 G C -0.439 174.319 174.900 -0.236 0.000 1.189 259 G CA 0.124 45.184 45.100 -0.067 0.000 0.881 259 G HN 0.684 nan 8.290 nan 0.000 0.535 260 G N -1.241 107.314 108.800 -0.408 0.000 3.108 260 G HA2 0.467 4.427 3.960 0.000 0.000 0.268 260 G HA3 0.467 4.427 3.960 0.000 0.000 0.268 260 G C -0.671 173.947 174.900 -0.471 0.000 1.361 260 G CA -0.569 44.347 45.100 -0.306 0.000 1.047 260 G HN 0.708 nan 8.290 nan 0.000 0.540 261 N N -1.113 117.527 118.700 -0.100 0.000 2.728 261 N HA 0.275 5.015 4.740 0.000 0.000 0.221 261 N C -0.138 175.415 175.510 0.071 0.000 1.412 261 N CA -0.071 52.969 53.050 -0.017 0.000 1.003 261 N CB 0.399 38.981 38.487 0.158 0.000 1.525 261 N HN 0.743 nan 8.380 nan 0.000 0.552 262 A N 1.976 124.794 122.820 -0.003 0.000 2.545 262 A HA 0.351 4.671 4.320 0.000 0.000 0.253 262 A C -2.213 175.336 177.584 -0.058 0.000 1.074 262 A CA -0.314 51.705 52.037 -0.030 0.000 0.760 262 A CB -0.218 18.812 19.000 0.051 0.000 1.005 262 A HN 0.321 nan 8.150 nan 0.000 0.506 263 P HA 0.335 nan 4.420 nan 0.000 0.297 263 P C -1.084 176.239 177.300 0.039 0.000 1.319 263 P CA -0.146 62.944 63.100 -0.017 0.000 0.810 263 P CB 0.737 32.411 31.700 -0.044 0.000 0.947 264 F N 4.891 124.790 119.950 -0.086 0.000 2.332 264 F HA 0.479 5.006 4.527 0.000 0.000 0.368 264 F C -0.396 175.467 175.800 0.106 0.000 1.110 264 F CA -0.885 57.106 58.000 -0.014 0.000 1.087 264 F CB 0.519 39.306 39.000 -0.354 0.000 1.235 264 F HN 0.135 nan 8.300 nan 0.000 0.470 265 I N 6.882 127.473 120.570 0.035 0.000 2.321 265 I HA 0.322 4.492 4.170 0.000 0.000 0.291 265 I C -0.899 175.306 176.117 0.147 0.000 0.998 265 I CA -0.848 60.503 61.300 0.084 0.000 1.227 265 I CB 1.546 39.501 38.000 -0.076 0.000 1.368 265 I HN 0.209 nan 8.210 nan 0.000 0.466 266 V N 7.277 127.303 119.914 0.187 0.000 2.350 266 V HA 0.359 4.479 4.120 0.000 0.000 0.285 266 V C -0.348 175.855 176.094 0.183 0.000 1.014 266 V CA -0.517 61.859 62.300 0.128 0.000 0.831 266 V CB 1.031 32.712 31.823 -0.236 0.000 1.000 266 V HN 0.369 nan 8.190 nan 0.000 0.433 267 F N 2.564 122.669 119.950 0.259 0.000 2.385 267 F HA 0.324 4.851 4.527 0.000 0.000 0.336 267 F C 1.541 177.361 175.800 0.033 0.000 1.100 267 F CA 0.024 58.162 58.000 0.230 0.000 1.116 267 F CB 1.128 40.250 39.000 0.204 0.000 1.166 267 F HN 0.606 nan 8.300 nan 0.000 0.511 268 D N 1.523 121.937 120.400 0.023 0.000 5.758 268 D HA -0.343 4.297 4.640 0.000 0.000 0.404 268 D C 1.370 177.663 176.300 -0.011 0.000 1.743 268 D CA 2.544 56.419 54.000 -0.209 0.000 1.093 268 D CB -0.233 40.380 40.800 -0.313 0.000 0.497 268 D HN 0.723 nan 8.370 nan 0.000 0.944 269 D N -0.648 119.795 120.400 0.072 0.000 2.368 269 D HA 0.285 4.925 4.640 0.000 0.000 0.218 269 D C 0.332 176.701 176.300 0.115 0.000 1.112 269 D CA 0.284 54.325 54.000 0.067 0.000 0.834 269 D CB -0.530 40.291 40.800 0.035 0.000 0.953 269 D HN 0.355 nan 8.370 nan 0.000 0.505 270 A N 0.733 123.657 122.820 0.174 0.000 2.466 270 A HA 0.133 4.453 4.320 0.000 0.000 0.238 270 A C 0.257 177.953 177.584 0.187 0.000 1.074 270 A CA -0.140 52.032 52.037 0.226 0.000 0.774 270 A CB 0.202 19.368 19.000 0.278 0.000 1.015 270 A HN 0.149 nan 8.150 nan 0.000 0.498 271 D N 1.733 122.266 120.400 0.222 0.000 2.352 271 D HA 0.234 4.874 4.640 0.000 0.000 0.245 271 D C 0.753 177.159 176.300 0.177 0.000 1.224 271 D CA -0.324 53.783 54.000 0.180 0.000 0.879 271 D CB 0.494 41.402 40.800 0.181 0.000 1.057 271 D HN 0.261 nan 8.370 nan 0.000 0.491 272 L N 3.644 124.954 121.223 0.145 0.000 2.083 272 L HA -0.128 4.212 4.340 0.000 0.000 0.209 272 L C 1.884 178.823 176.870 0.116 0.000 1.083 272 L CA 1.314 56.251 54.840 0.161 0.000 0.752 272 L CB -0.334 41.814 42.059 0.149 0.000 0.899 272 L HN 0.399 nan 8.230 nan 0.000 0.433 273 D N -0.637 119.812 120.400 0.083 0.000 2.117 273 D HA -0.102 4.538 4.640 0.000 0.000 0.198 273 D C 2.242 178.584 176.300 0.070 0.000 0.982 273 D CA 1.418 55.449 54.000 0.051 0.000 0.828 273 D CB -0.053 40.774 40.800 0.045 0.000 0.967 273 D HN 0.318 nan 8.370 nan 0.000 0.464 274 A N 0.967 123.862 122.820 0.125 0.000 1.930 274 A HA 0.014 4.334 4.320 0.000 0.000 0.217 274 A C 2.281 179.931 177.584 0.111 0.000 1.175 274 A CA 1.884 54.041 52.037 0.200 0.000 0.627 274 A CB -0.547 18.639 19.000 0.309 0.000 0.815 274 A HN 0.220 nan 8.150 nan 0.000 0.443 275 A N -0.668 122.100 122.820 -0.086 0.000 1.969 275 A HA 0.048 4.368 4.320 0.000 0.000 0.218 275 A C 2.181 179.788 177.584 0.038 0.000 1.169 275 A CA 1.674 53.451 52.037 -0.432 0.000 0.635 275 A CB -0.676 18.243 19.000 -0.135 0.000 0.810 275 A HN 0.340 nan 8.150 nan 0.000 0.445 276 V N -0.107 119.829 119.914 0.036 0.000 2.379 276 V HA -0.140 3.981 4.120 0.000 0.000 0.245 276 V C 3.101 179.151 176.094 -0.073 0.000 1.044 276 V CA 2.369 64.591 62.300 -0.129 0.000 1.036 276 V CB -1.017 30.664 31.823 -0.237 0.000 0.664 276 V HN 0.771 nan 8.190 nan 0.000 0.453 277 E N 0.449 120.652 120.200 0.005 0.000 2.110 277 E HA -0.189 4.161 4.350 0.000 0.000 0.193 277 E C 2.291 178.951 176.600 0.100 0.000 0.988 277 E CA 1.584 58.015 56.400 0.051 0.000 0.804 277 E CB -1.320 28.430 29.700 0.084 0.000 0.745 277 E HN 0.656 nan 8.360 nan 0.000 0.458 278 G N 0.363 109.272 108.800 0.181 0.000 2.402 278 G HA2 0.038 3.998 3.960 0.000 0.000 0.216 278 G HA3 0.038 3.998 3.960 0.000 0.000 0.216 278 G C 2.042 177.019 174.900 0.128 0.000 1.162 278 G CA 1.891 47.198 45.100 0.345 0.000 0.777 278 G HN 0.885 nan 8.290 nan 0.000 0.539 279 A N 1.082 123.814 122.820 -0.148 0.000 1.877 279 A HA -0.004 4.316 4.320 0.000 0.000 0.216 279 A C 2.363 179.894 177.584 -0.087 0.000 1.186 279 A CA 1.436 53.246 52.037 -0.378 0.000 0.620 279 A CB -0.332 18.489 19.000 -0.299 0.000 0.822 279 A HN 0.273 nan 8.150 nan 0.000 0.443 280 I N -0.061 120.512 120.570 0.005 0.000 2.163 280 I HA -0.269 3.901 4.170 0.000 0.000 0.243 280 I C 2.974 179.175 176.117 0.139 0.000 1.085 280 I CA 1.633 63.031 61.300 0.163 0.000 1.347 280 I CB -1.612 36.441 38.000 0.088 0.000 1.044 280 I HN 0.383 nan 8.210 nan 0.000 0.408 281 A N 1.085 123.948 122.820 0.072 0.000 1.877 281 A HA -0.198 4.122 4.320 0.000 0.000 0.216 281 A C 2.497 180.090 177.584 0.014 0.000 1.186 281 A CA 2.397 54.472 52.037 0.064 0.000 0.620 281 A CB -0.914 18.132 19.000 0.076 0.000 0.822 281 A HN 0.559 nan 8.150 nan 0.000 0.443 282 S N -0.877 114.781 115.700 -0.069 0.000 2.447 282 S HA -0.087 4.384 4.470 0.000 0.000 0.233 282 S C 1.701 176.186 174.600 -0.191 0.000 1.006 282 S CA 1.585 59.666 58.200 -0.198 0.000 0.957 282 S CB -0.040 62.863 63.200 -0.496 0.000 0.773 282 S HN 0.474 nan 8.310 nan 0.000 0.507 283 K N 0.337 120.611 120.400 -0.209 0.000 2.240 283 K HA 0.282 4.602 4.320 0.000 0.000 0.202 283 K C 0.871 177.243 176.600 -0.381 0.000 1.053 283 K CA 0.658 56.718 56.287 -0.378 0.000 0.973 283 K CB -0.313 31.840 32.500 -0.579 0.000 0.924 283 K HN 0.415 nan 8.250 nan 0.000 0.477 284 Y N 0.514 120.833 120.300 0.033 0.000 2.458 284 Y HA 0.350 4.900 4.550 0.000 0.000 0.256 284 Y C 0.157 176.088 175.900 0.051 0.000 1.159 284 Y CA -0.456 57.671 58.100 0.044 0.000 1.261 284 Y CB 0.167 38.646 38.460 0.031 0.000 1.119 284 Y HN -0.120 nan 8.280 nan 0.000 0.524 285 R N 1.924 122.511 120.500 0.144 0.000 2.570 285 R HA -0.045 4.295 4.340 0.000 0.000 0.277 285 R C 0.639 177.011 176.300 0.119 0.000 1.039 285 R CA 0.525 56.702 56.100 0.128 0.000 1.065 285 R CB -0.130 30.245 30.300 0.126 0.000 0.964 285 R HN 0.270 nan 8.270 nan 0.000 0.428 286 N N 2.896 121.648 118.700 0.087 0.000 2.708 286 N HA -0.301 4.439 4.740 0.000 0.000 0.249 286 N C -0.869 174.693 175.510 0.087 0.000 1.097 286 N CA 1.334 54.402 53.050 0.030 0.000 0.710 286 N CB -1.217 37.215 38.487 -0.092 0.000 1.032 286 N HN 0.872 nan 8.380 nan 0.000 0.551 287 N N -1.045 117.731 118.700 0.127 0.000 2.708 287 N HA -0.186 4.554 4.740 0.000 0.000 0.249 287 N C 0.776 176.386 175.510 0.166 0.000 1.097 287 N CA 2.417 55.568 53.050 0.169 0.000 0.710 287 N CB -1.426 37.142 38.487 0.135 0.000 1.032 287 N HN 1.263 nan 8.380 nan 0.000 0.551 288 G N -1.245 107.630 108.800 0.124 0.000 2.143 288 G HA2 -0.331 3.629 3.960 0.000 0.000 0.248 288 G HA3 -0.331 3.629 3.960 0.000 0.000 0.248 288 G C 0.098 175.076 174.900 0.129 0.000 0.991 288 G CA 0.478 45.613 45.100 0.059 0.000 0.689 288 G HN 0.587 nan 8.290 nan 0.000 0.522 289 Q N 0.751 120.666 119.800 0.192 0.000 2.375 289 Q HA 0.320 4.660 4.340 0.000 0.000 0.316 289 Q C 0.582 176.729 176.000 0.244 0.000 0.927 289 Q CA 0.604 56.597 55.803 0.317 0.000 1.029 289 Q CB 0.575 29.506 28.738 0.321 0.000 1.202 289 Q HN 0.637 nan 8.270 nan 0.000 0.431 290 T N -3.884 110.830 114.554 0.267 0.000 2.893 290 T HA 0.185 4.535 4.350 0.000 0.000 0.291 290 T C 1.404 176.270 174.700 0.276 0.000 1.028 290 T CA -0.875 61.412 62.100 0.312 0.000 0.995 290 T CB 1.298 70.407 68.868 0.402 0.000 1.051 290 T HN 0.406 nan 8.240 nan 0.000 0.470 291 C N 2.157 121.631 119.300 0.291 0.000 2.403 291 C HA -0.027 4.433 4.460 0.000 0.000 0.279 291 C C 2.376 177.446 174.990 0.135 0.000 1.269 291 C CA 0.660 59.812 59.018 0.224 0.000 1.774 291 C CB -2.131 25.738 27.740 0.214 0.000 1.993 291 C HN 0.897 nan 8.230 nan 0.000 0.496 292 V N -2.241 117.791 119.914 0.197 0.000 3.633 292 V HA 0.271 4.391 4.120 0.000 0.000 0.283 292 V C 0.911 177.122 176.094 0.194 0.000 1.305 292 V CA -0.624 61.787 62.300 0.185 0.000 1.153 292 V CB -2.082 29.903 31.823 0.270 0.000 0.950 292 V HN 0.623 nan 8.190 nan 0.000 0.432 293 C N 2.154 121.511 119.300 0.096 0.000 2.653 293 C HA 0.311 4.771 4.460 0.000 0.000 0.421 293 C C 1.461 176.423 174.990 -0.047 0.000 1.334 293 C CA 0.370 59.395 59.018 0.011 0.000 1.885 293 C CB -0.120 27.598 27.740 -0.037 0.000 2.645 293 C HN 0.636 nan 8.230 nan 0.000 0.601 294 T N 4.105 118.588 114.554 -0.119 0.000 2.905 294 T HA -0.059 4.291 4.350 0.000 0.000 0.299 294 T C 0.989 175.538 174.700 -0.252 0.000 1.024 294 T CA 0.809 62.770 62.100 -0.231 0.000 1.151 294 T CB 0.103 68.614 68.868 -0.597 0.000 0.987 294 T HN 0.813 nan 8.240 nan 0.000 0.535 295 N N 2.347 120.927 118.700 -0.199 0.000 2.463 295 N HA 0.101 4.841 4.740 0.000 0.000 0.183 295 N C -0.090 175.360 175.510 -0.099 0.000 1.064 295 N CA 0.275 53.239 53.050 -0.143 0.000 0.879 295 N CB 0.620 39.032 38.487 -0.125 0.000 1.148 295 N HN 0.444 nan 8.380 nan 0.000 0.451 296 R N 0.002 120.394 120.500 -0.179 0.000 2.483 296 R HA 0.285 4.625 4.340 0.000 0.000 0.303 296 R C -1.394 174.720 176.300 -0.310 0.000 0.987 296 R CA -0.623 55.336 56.100 -0.235 0.000 0.881 296 R CB 1.138 31.075 30.300 -0.605 0.000 1.177 296 R HN -0.024 nan 8.270 nan 0.000 0.451 297 F N 2.910 122.844 119.950 -0.027 0.000 2.420 297 F HA 0.318 4.845 4.527 0.000 0.000 0.352 297 F C 0.005 175.771 175.800 -0.056 0.000 1.108 297 F CA -0.038 57.992 58.000 0.051 0.000 1.162 297 F CB 0.576 39.637 39.000 0.102 0.000 1.118 297 F HN 0.329 nan 8.300 nan 0.000 0.510 298 F N 3.258 123.397 119.950 0.316 0.000 2.402 298 F HA 0.572 5.099 4.527 0.000 0.000 0.355 298 F C -0.531 175.522 175.800 0.421 0.000 1.123 298 F CA -0.967 57.205 58.000 0.287 0.000 1.021 298 F CB 1.401 40.356 39.000 -0.075 0.000 1.160 298 F HN -0.012 nan 8.300 nan 0.000 0.451 299 V N 3.334 123.615 119.914 0.613 0.000 2.588 299 V HA 0.237 4.357 4.120 0.000 0.000 0.304 299 V C -0.031 176.054 176.094 -0.015 0.000 1.042 299 V CA -0.987 61.472 62.300 0.265 0.000 0.877 299 V CB 1.481 33.271 31.823 -0.055 0.000 0.996 299 V HN 0.604 nan 8.190 nan 0.000 0.425 300 H N 3.018 121.730 119.070 -0.596 0.000 2.928 300 H HA 0.061 4.617 4.556 0.000 0.000 0.338 300 H C 1.205 176.372 175.328 -0.267 0.000 1.047 300 H CA 0.906 56.430 56.048 -0.874 0.000 1.435 300 H CB 1.000 30.376 29.762 -0.642 0.000 1.428 300 H HN 0.832 nan 8.280 nan 0.000 0.590 301 E N 4.055 124.089 120.200 -0.276 0.000 2.086 301 E HA -0.275 4.075 4.350 0.000 0.000 0.205 301 E C 2.211 178.895 176.600 0.139 0.000 1.027 301 E CA 1.431 57.807 56.400 -0.042 0.000 0.830 301 E CB 0.089 29.714 29.700 -0.125 0.000 0.751 301 E HN 0.619 nan 8.360 nan 0.000 0.456 302 R N 0.131 120.787 120.500 0.259 0.000 2.105 302 R HA -0.133 4.207 4.340 0.000 0.000 0.239 302 R C 2.461 178.837 176.300 0.128 0.000 1.135 302 R CA 1.711 57.904 56.100 0.155 0.000 0.967 302 R CB -0.156 30.202 30.300 0.096 0.000 0.861 302 R HN 0.254 nan 8.270 nan 0.000 0.442 303 V N -3.295 116.701 119.914 0.137 0.000 3.650 303 V HA -0.013 4.107 4.120 0.000 0.000 0.271 303 V C 1.716 177.912 176.094 0.169 0.000 1.281 303 V CA 0.218 62.592 62.300 0.123 0.000 1.120 303 V CB -0.826 31.049 31.823 0.087 0.000 0.856 303 V HN 0.176 nan 8.190 nan 0.000 0.443 304 Y N 2.639 122.976 120.300 0.062 0.000 2.030 304 Y HA -0.320 4.230 4.550 0.000 0.000 0.272 304 Y C 2.339 178.307 175.900 0.113 0.000 1.185 304 Y CA 2.682 60.830 58.100 0.079 0.000 1.120 304 Y CB -0.207 38.274 38.460 0.034 0.000 0.955 304 Y HN 0.298 nan 8.280 nan 0.000 0.495 305 D N -0.158 120.432 120.400 0.317 0.000 2.097 305 D HA -0.179 4.461 4.640 0.000 0.000 0.195 305 D C 2.271 178.622 176.300 0.083 0.000 0.989 305 D CA 1.511 55.635 54.000 0.207 0.000 0.827 305 D CB -0.740 40.160 40.800 0.166 0.000 0.966 305 D HN 0.501 nan 8.370 nan 0.000 0.456 306 A N 0.309 123.182 122.820 0.088 0.000 1.930 306 A HA -0.145 4.175 4.320 0.000 0.000 0.217 306 A C 2.090 179.693 177.584 0.032 0.000 1.175 306 A CA 0.900 52.968 52.037 0.053 0.000 0.627 306 A CB -0.891 18.149 19.000 0.068 0.000 0.815 306 A HN 0.232 nan 8.150 nan 0.000 0.443 307 F N 0.910 120.805 119.950 -0.092 0.000 2.084 307 F HA -0.009 4.518 4.527 0.000 0.000 0.296 307 F C 2.572 178.240 175.800 -0.221 0.000 1.111 307 F CA 1.251 59.160 58.000 -0.150 0.000 1.224 307 F CB -0.562 38.344 39.000 -0.158 0.000 0.991 307 F HN 0.254 nan 8.300 nan 0.000 0.471 308 A N 0.334 123.055 122.820 -0.166 0.000 1.884 308 A HA -0.282 4.038 4.320 0.000 0.000 0.219 308 A C 1.989 179.421 177.584 -0.255 0.000 1.197 308 A CA 2.349 54.219 52.037 -0.278 0.000 0.637 308 A CB -1.259 17.599 19.000 -0.237 0.000 0.827 308 A HN 0.499 nan 8.150 nan 0.000 0.450 309 D N -0.605 119.699 120.400 -0.160 0.000 2.117 309 D HA -0.114 4.526 4.640 0.000 0.000 0.197 309 D C 1.979 178.171 176.300 -0.181 0.000 0.987 309 D CA 1.488 55.409 54.000 -0.132 0.000 0.829 309 D CB -0.269 40.489 40.800 -0.071 0.000 0.961 309 D HN 0.524 nan 8.370 nan 0.000 0.460 310 K N -0.170 120.093 120.400 -0.228 0.000 2.057 310 K HA -0.089 4.231 4.320 0.000 0.000 0.206 310 K C 2.024 178.425 176.600 -0.331 0.000 1.050 310 K CA 0.319 56.460 56.287 -0.243 0.000 0.935 310 K CB -0.149 32.217 32.500 -0.225 0.000 0.715 310 K HN 0.017 nan 8.250 nan 0.000 0.439 311 L N 1.086 121.994 121.223 -0.525 0.000 1.994 311 L HA -0.121 4.219 4.340 0.000 0.000 0.208 311 L C 2.189 178.864 176.870 -0.326 0.000 1.071 311 L CA 1.905 56.422 54.840 -0.538 0.000 0.745 311 L CB -0.777 40.768 42.059 -0.857 0.000 0.892 311 L HN 0.123 nan 8.230 nan 0.000 0.431 312 A N -0.334 122.320 122.820 -0.277 0.000 1.892 312 A HA -0.236 4.084 4.320 0.000 0.000 0.218 312 A C 2.457 179.949 177.584 -0.153 0.000 1.188 312 A CA 2.366 54.294 52.037 -0.181 0.000 0.631 312 A CB -1.351 17.563 19.000 -0.143 0.000 0.822 312 A HN 0.621 nan 8.150 nan 0.000 0.447 313 A N -0.457 122.273 122.820 -0.151 0.000 1.902 313 A HA 0.163 4.483 4.320 0.000 0.000 0.217 313 A C 2.515 180.023 177.584 -0.127 0.000 1.181 313 A CA 2.212 54.176 52.037 -0.121 0.000 0.623 313 A CB -0.993 17.942 19.000 -0.108 0.000 0.818 313 A HN 1.103 nan 8.150 nan 0.000 0.443 314 A N -0.617 122.111 122.820 -0.154 0.000 1.898 314 A HA 0.055 4.375 4.320 0.000 0.000 0.216 314 A C 2.229 179.714 177.584 -0.165 0.000 1.181 314 A CA 1.642 53.592 52.037 -0.145 0.000 0.620 314 A CB -0.943 17.964 19.000 -0.156 0.000 0.819 314 A HN 0.367 nan 8.150 nan 0.000 0.442 315 V N 1.151 120.943 119.914 -0.204 0.000 2.255 315 V HA -0.279 3.841 4.120 0.000 0.000 0.247 315 V C 2.993 178.961 176.094 -0.210 0.000 1.051 315 V CA 2.485 64.618 62.300 -0.278 0.000 1.018 315 V CB -1.129 30.523 31.823 -0.286 0.000 0.641 315 V HN 0.827 nan 8.190 nan 0.000 0.445 316 S N 0.904 116.514 115.700 -0.150 0.000 2.440 316 S HA -0.197 4.273 4.470 0.000 0.000 0.240 316 S C 1.722 176.266 174.600 -0.094 0.000 1.014 316 S CA 1.767 59.902 58.200 -0.108 0.000 0.980 316 S CB -0.565 62.582 63.200 -0.088 0.000 0.775 316 S HN 0.694 nan 8.310 nan 0.000 0.499 317 K N 0.645 120.984 120.400 -0.102 0.000 2.410 317 K HA 0.588 4.908 4.320 0.000 0.000 0.200 317 K C 0.383 176.932 176.600 -0.084 0.000 1.023 317 K CA -0.043 56.196 56.287 -0.081 0.000 1.149 317 K CB -0.526 31.930 32.500 -0.072 0.000 0.859 317 K HN 0.592 nan 8.250 nan 0.000 0.514 318 L N 1.319 122.475 121.223 -0.112 0.000 2.312 318 L HA 0.350 4.690 4.340 0.000 0.000 0.281 318 L C 0.370 177.191 176.870 -0.081 0.000 1.070 318 L CA -0.724 54.050 54.840 -0.109 0.000 0.805 318 L CB 1.779 43.732 42.059 -0.177 0.000 1.174 318 L HN 0.195 nan 8.230 nan 0.000 0.434 319 K N 2.431 122.795 120.400 -0.059 0.000 2.227 319 K HA 0.456 4.776 4.320 0.000 0.000 0.280 319 K C -1.114 175.446 176.600 -0.066 0.000 1.041 319 K CA -0.557 55.698 56.287 -0.053 0.000 0.905 319 K CB 1.395 33.870 32.500 -0.042 0.000 1.068 319 K HN 0.327 nan 8.250 nan 0.000 0.470 320 V N 3.203 123.046 119.914 -0.117 0.000 2.394 320 V HA 0.680 4.800 4.120 0.000 0.000 0.282 320 V C 0.528 176.427 176.094 -0.325 0.000 1.031 320 V CA -0.422 61.757 62.300 -0.202 0.000 0.881 320 V CB 1.094 32.693 31.823 -0.373 0.000 0.982 320 V HN 1.015 nan 8.190 nan 0.000 0.451 321 G N 2.723 111.399 108.800 -0.208 0.000 2.550 321 G HA2 0.650 4.610 3.960 0.000 0.000 0.293 321 G HA3 0.650 4.610 3.960 0.000 0.000 0.293 321 G C -0.612 174.272 174.900 -0.026 0.000 1.402 321 G CA -0.405 44.518 45.100 -0.295 0.000 0.784 321 G HN 0.868 nan 8.290 nan 0.000 0.482 322 R N -0.645 119.833 120.500 -0.036 0.000 2.623 322 R HA 0.528 4.868 4.340 0.000 0.000 0.271 322 R C 1.703 178.066 176.300 0.105 0.000 1.043 322 R CA 1.017 57.221 56.100 0.173 0.000 1.083 322 R CB -0.222 30.135 30.300 0.095 0.000 0.974 322 R HN 2.056 nan 8.270 nan 0.000 0.436 323 G N 0.080 108.949 108.800 0.115 0.000 2.450 323 G HA2 -0.280 3.680 3.960 0.000 0.000 0.220 323 G HA3 -0.280 3.680 3.960 0.000 0.000 0.220 323 G C 1.591 176.516 174.900 0.043 0.000 1.130 323 G CA 1.612 46.755 45.100 0.071 0.000 0.760 323 G HN 0.992 nan 8.290 nan 0.000 0.557 324 T N -1.663 112.912 114.554 0.035 0.000 3.113 324 T HA 0.116 4.466 4.350 0.000 0.000 0.263 324 T C 0.792 175.499 174.700 0.012 0.000 1.143 324 T CA 0.426 62.538 62.100 0.019 0.000 1.090 324 T CB 0.144 69.020 68.868 0.013 0.000 0.922 324 T HN 0.399 nan 8.240 nan 0.000 0.521 325 E N 1.525 121.732 120.200 0.011 0.000 2.227 325 E HA 0.351 4.701 4.350 0.000 0.000 0.282 325 E C -0.635 175.964 176.600 -0.002 0.000 1.015 325 E CA -0.413 55.986 56.400 -0.002 0.000 0.823 325 E CB 0.852 30.543 29.700 -0.016 0.000 1.081 325 E HN 0.125 nan 8.360 nan 0.000 0.396 326 S N 2.428 118.125 115.700 -0.004 0.000 2.626 326 S HA 0.129 4.599 4.470 0.000 0.000 0.303 326 S C 1.021 175.617 174.600 -0.008 0.000 1.256 326 S CA 1.193 59.391 58.200 -0.004 0.000 1.069 326 S CB 0.207 63.404 63.200 -0.005 0.000 0.807 326 S HN 0.880 nan 8.310 nan 0.000 0.500 327 G N 2.639 111.436 108.800 -0.004 0.000 2.168 327 G HA2 -0.216 3.744 3.960 0.000 0.000 0.263 327 G HA3 -0.216 3.744 3.960 0.000 0.000 0.263 327 G C 0.170 175.063 174.900 -0.011 0.000 0.977 327 G CA 0.091 45.186 45.100 -0.007 0.000 0.659 327 G HN 1.271 nan 8.290 nan 0.000 0.533 328 A N 0.406 123.222 122.820 -0.008 0.000 2.354 328 A HA 0.694 5.014 4.320 0.000 0.000 0.281 328 A C 1.339 178.930 177.584 0.012 0.000 1.174 328 A CA 1.211 53.244 52.037 -0.007 0.000 0.828 328 A CB 0.370 19.367 19.000 -0.005 0.000 1.099 328 A HN 1.299 nan 8.150 nan 0.000 0.516 329 T N 0.281 114.841 114.554 0.011 0.000 2.975 329 T HA 0.386 4.736 4.350 0.000 0.000 0.257 329 T C 0.135 174.862 174.700 0.045 0.000 1.003 329 T CA 0.144 62.260 62.100 0.025 0.000 0.932 329 T CB -0.314 68.562 68.868 0.013 0.000 1.087 329 T HN 0.350 nan 8.240 nan 0.000 0.512 330 L N 1.873 123.125 121.223 0.050 0.000 2.372 330 L HA 0.733 5.073 4.340 0.000 0.000 0.274 330 L C 0.750 177.709 176.870 0.148 0.000 0.988 330 L CA -1.107 53.786 54.840 0.087 0.000 0.833 330 L CB 1.907 44.008 42.059 0.071 0.000 1.236 330 L HN 0.274 nan 8.230 nan 0.000 0.410 331 G N 3.186 112.071 108.800 0.141 0.000 2.509 331 G HA2 0.603 4.563 3.960 0.000 0.000 0.269 331 G HA3 0.603 4.563 3.960 0.000 0.000 0.269 331 G C -2.721 172.173 174.900 -0.010 0.000 1.416 331 G CA -0.933 44.267 45.100 0.168 0.000 1.052 331 G HN 0.328 nan 8.290 nan 0.000 0.542 332 P HA 0.347 nan 4.420 nan 0.000 0.282 332 P C -0.558 176.576 177.300 -0.276 0.000 1.259 332 P CA -0.764 61.899 63.100 -0.729 0.000 0.826 332 P CB 1.338 32.311 31.700 -1.211 0.000 1.064 333 L N 2.013 123.128 121.223 -0.180 0.000 2.483 333 L HA -0.022 4.318 4.340 0.000 0.000 0.275 333 L C 2.133 178.880 176.870 -0.205 0.000 1.220 333 L CA 0.224 54.994 54.840 -0.116 0.000 0.833 333 L CB -0.948 41.068 42.059 -0.072 0.000 1.102 333 L HN 0.379 nan 8.230 nan 0.000 0.490 334 I N 1.815 122.213 120.570 -0.287 0.000 2.286 334 I HA -0.190 3.981 4.170 0.000 0.000 0.248 334 I C 0.714 176.625 176.117 -0.343 0.000 1.115 334 I CA 1.176 62.209 61.300 -0.444 0.000 1.392 334 I CB -0.212 37.140 38.000 -1.080 0.000 1.065 334 I HN 0.987 nan 8.210 nan 0.000 0.418 335 N N -2.721 115.805 118.700 -0.290 0.000 2.934 335 N HA 0.132 4.872 4.740 0.000 0.000 0.253 335 N C 0.406 175.842 175.510 -0.123 0.000 1.466 335 N CA -0.608 52.330 53.050 -0.187 0.000 0.858 335 N CB 0.214 38.579 38.487 -0.203 0.000 1.459 335 N HN -0.191 nan 8.380 nan 0.000 0.532 336 E N -0.056 120.098 120.200 -0.078 0.000 2.118 336 E HA -0.179 4.171 4.350 0.000 0.000 0.195 336 E C 1.608 178.177 176.600 -0.051 0.000 0.992 336 E CA 1.651 58.023 56.400 -0.046 0.000 0.804 336 E CB -0.441 29.239 29.700 -0.033 0.000 0.741 336 E HN 0.672 nan 8.360 nan 0.000 0.458 337 A N 0.981 123.761 122.820 -0.068 0.000 1.933 337 A HA -0.095 4.225 4.320 0.000 0.000 0.218 337 A C 2.397 179.941 177.584 -0.067 0.000 1.175 337 A CA 1.931 53.932 52.037 -0.059 0.000 0.628 337 A CB -0.507 18.457 19.000 -0.061 0.000 0.814 337 A HN 0.308 nan 8.150 nan 0.000 0.444 338 A N -0.350 122.415 122.820 -0.092 0.000 1.877 338 A HA -0.021 4.299 4.320 0.000 0.000 0.216 338 A C 2.218 179.737 177.584 -0.108 0.000 1.186 338 A CA 1.848 53.834 52.037 -0.086 0.000 0.620 338 A CB -1.007 17.930 19.000 -0.104 0.000 0.822 338 A HN 0.440 nan 8.150 nan 0.000 0.443 339 V N 0.391 120.249 119.914 -0.094 0.000 2.287 339 V HA -0.263 3.857 4.120 0.000 0.000 0.248 339 V C 3.147 179.180 176.094 -0.101 0.000 1.053 339 V CA 2.798 65.039 62.300 -0.098 0.000 1.027 339 V CB -1.456 30.386 31.823 0.030 0.000 0.646 339 V HN 0.736 nan 8.190 nan 0.000 0.447 340 K N 0.532 120.901 120.400 -0.052 0.000 2.103 340 K HA -0.252 4.069 4.320 0.000 0.000 0.207 340 K C 2.078 178.637 176.600 -0.068 0.000 1.048 340 K CA 2.127 58.395 56.287 -0.033 0.000 0.930 340 K CB -0.624 31.867 32.500 -0.016 0.000 0.716 340 K HN 0.514 nan 8.250 nan 0.000 0.444 341 K N 0.375 120.711 120.400 -0.106 0.000 2.026 341 K HA -0.041 4.279 4.320 0.000 0.000 0.208 341 K C 2.019 178.465 176.600 -0.257 0.000 1.048 341 K CA 1.616 57.804 56.287 -0.166 0.000 0.929 341 K CB -0.456 31.957 32.500 -0.145 0.000 0.713 341 K HN 0.171 nan 8.250 nan 0.000 0.439 342 V N 1.268 121.023 119.914 -0.264 0.000 2.270 342 V HA -0.214 3.906 4.120 0.000 0.000 0.245 342 V C 2.043 178.034 176.094 -0.172 0.000 1.043 342 V CA 2.122 64.240 62.300 -0.303 0.000 1.014 342 V CB -0.521 30.945 31.823 -0.595 0.000 0.645 342 V HN 0.401 nan 8.190 nan 0.000 0.447 343 E N -0.127 119.986 120.200 -0.146 0.000 2.219 343 E HA -0.234 4.116 4.350 0.000 0.000 0.198 343 E C 2.387 179.028 176.600 0.069 0.000 0.998 343 E CA 1.512 57.942 56.400 0.051 0.000 0.818 343 E CB -0.194 29.566 29.700 0.098 0.000 0.741 343 E HN 0.525 nan 8.360 nan 0.000 0.477 344 S N -0.723 114.998 115.700 0.035 0.000 2.377 344 S HA -0.122 4.348 4.470 0.000 0.000 0.223 344 S C 1.721 176.423 174.600 0.171 0.000 1.030 344 S CA 0.772 59.021 58.200 0.081 0.000 0.970 344 S CB -0.110 63.124 63.200 0.056 0.000 0.830 344 S HN 0.404 nan 8.310 nan 0.000 0.473 345 H N 0.113 119.195 119.070 0.019 0.000 2.389 345 H HA 0.030 4.587 4.556 0.000 0.000 0.299 345 H C 2.070 177.417 175.328 0.032 0.000 1.081 345 H CA 1.485 57.547 56.048 0.025 0.000 1.345 345 H CB 0.001 29.772 29.762 0.015 0.000 1.393 345 H HN 0.367 nan 8.280 nan 0.000 0.520 346 I N 0.610 121.283 120.570 0.172 0.000 2.113 346 I HA -0.264 3.907 4.170 0.000 0.000 0.238 346 I C 2.893 179.068 176.117 0.096 0.000 1.070 346 I CA 0.957 62.334 61.300 0.129 0.000 1.332 346 I CB -0.354 37.748 38.000 0.169 0.000 1.044 346 I HN 0.240 nan 8.210 nan 0.000 0.402 347 A N 0.493 123.372 122.820 0.098 0.000 1.917 347 A HA -0.346 3.974 4.320 0.000 0.000 0.219 347 A C 1.955 179.574 177.584 0.057 0.000 1.182 347 A CA 2.592 54.674 52.037 0.074 0.000 0.633 347 A CB -0.932 18.112 19.000 0.073 0.000 0.819 347 A HN 0.543 nan 8.150 nan 0.000 0.448 348 D N -0.604 119.834 120.400 0.064 0.000 2.078 348 D HA -0.041 4.599 4.640 0.000 0.000 0.193 348 D C 2.103 178.415 176.300 0.021 0.000 0.990 348 D CA 2.009 56.035 54.000 0.044 0.000 0.827 348 D CB -0.296 40.536 40.800 0.052 0.000 0.975 348 D HN 0.344 nan 8.370 nan 0.000 0.451 349 A N 0.439 123.265 122.820 0.011 0.000 1.884 349 A HA -0.205 4.115 4.320 0.000 0.000 0.219 349 A C 2.514 180.094 177.584 -0.007 0.000 1.197 349 A CA 1.777 53.803 52.037 -0.017 0.000 0.637 349 A CB -1.190 17.795 19.000 -0.025 0.000 0.827 349 A HN 0.429 nan 8.150 nan 0.000 0.450 350 L N -1.089 120.143 121.223 0.014 0.000 2.012 350 L HA -0.253 4.087 4.340 0.000 0.000 0.210 350 L C 3.111 179.987 176.870 0.010 0.000 1.073 350 L CA 1.318 56.167 54.840 0.015 0.000 0.748 350 L CB -0.650 41.426 42.059 0.029 0.000 0.891 350 L HN 0.485 nan 8.230 nan 0.000 0.431 351 A N -0.259 122.570 122.820 0.015 0.000 1.969 351 A HA -0.183 4.137 4.320 0.000 0.000 0.218 351 A C 2.117 179.705 177.584 0.006 0.000 1.169 351 A CA 1.394 53.438 52.037 0.013 0.000 0.635 351 A CB -0.270 18.741 19.000 0.019 0.000 0.810 351 A HN 0.316 nan 8.150 nan 0.000 0.445 352 K N -1.474 118.926 120.400 0.001 0.000 2.476 352 K HA 0.264 4.584 4.320 0.000 0.000 0.196 352 K C 0.897 177.489 176.600 -0.013 0.000 1.025 352 K CA 0.463 56.747 56.287 -0.005 0.000 1.138 352 K CB 0.076 32.571 32.500 -0.007 0.000 0.860 352 K HN 0.603 nan 8.250 nan 0.000 0.515 353 G N 0.072 108.864 108.800 -0.013 0.000 2.229 353 G HA2 -0.197 3.763 3.960 0.000 0.000 0.189 353 G HA3 -0.197 3.763 3.960 0.000 0.000 0.189 353 G C 0.252 175.139 174.900 -0.021 0.000 1.000 353 G CA -0.180 44.911 45.100 -0.016 0.000 0.663 353 G HN 0.397 nan 8.290 nan 0.000 0.493 354 A N 0.062 122.866 122.820 -0.026 0.000 2.310 354 A HA 0.848 5.168 4.320 0.000 0.000 0.260 354 A C 0.781 178.360 177.584 -0.008 0.000 1.112 354 A CA 0.934 52.955 52.037 -0.027 0.000 0.804 354 A CB 0.518 19.490 19.000 -0.046 0.000 1.081 354 A HN 1.920 nan 8.150 nan 0.000 0.499 355 S N -0.887 114.813 115.700 -0.000 0.000 2.540 355 S HA 0.551 5.021 4.470 0.000 0.000 0.275 355 S C -0.960 173.647 174.600 0.012 0.000 1.123 355 S CA -0.716 57.489 58.200 0.008 0.000 0.907 355 S CB 1.089 64.294 63.200 0.008 0.000 1.081 355 S HN 0.877 nan 8.310 nan 0.000 0.476 356 L N 2.191 123.422 121.223 0.014 0.000 2.380 356 L HA 0.490 4.830 4.340 0.000 0.000 0.273 356 L C 0.641 177.513 176.870 0.004 0.000 1.138 356 L CA 0.161 55.011 54.840 0.016 0.000 0.832 356 L CB 0.262 42.333 42.059 0.020 0.000 1.124 356 L HN 1.007 nan 8.230 nan 0.000 0.454 357 M N 1.532 121.130 119.600 -0.002 0.000 2.538 357 M HA 0.160 4.640 4.480 0.000 0.000 0.259 357 M C 0.158 176.441 176.300 -0.028 0.000 1.217 357 M CA 0.224 55.513 55.300 -0.020 0.000 1.131 357 M CB 0.700 33.279 32.600 -0.036 0.000 1.382 357 M HN 0.714 nan 8.290 nan 0.000 0.520 358 T N -0.850 113.692 114.554 -0.019 0.000 2.886 358 T HA 0.542 4.892 4.350 0.000 0.000 0.330 358 T C -0.108 174.590 174.700 -0.004 0.000 1.488 358 T CA 0.358 62.442 62.100 -0.026 0.000 1.054 358 T CB 1.350 70.187 68.868 -0.052 0.000 1.348 358 T HN 0.613 nan 8.240 nan 0.000 0.489 359 G N 1.984 110.772 108.800 -0.020 0.000 2.574 359 G HA2 0.221 4.181 3.960 0.000 0.000 0.286 359 G HA3 0.221 4.181 3.960 0.000 0.000 0.286 359 G C 1.051 175.938 174.900 -0.022 0.000 1.212 359 G CA 1.367 46.453 45.100 -0.023 0.000 0.979 359 G HN 2.439 nan 8.290 nan 0.000 0.557 360 G N -3.542 105.262 108.800 0.006 0.000 2.184 360 G HA2 0.520 4.480 3.960 0.000 0.000 0.206 360 G HA3 0.520 4.480 3.960 0.000 0.000 0.206 360 G C 0.576 175.453 174.900 -0.037 0.000 0.995 360 G CA 1.575 46.717 45.100 0.069 0.000 0.651 360 G HN 2.602 nan 8.290 nan 0.000 0.511 361 K N -0.152 120.005 120.400 -0.406 0.000 2.499 361 K HA 0.896 5.216 4.320 0.000 0.000 0.277 361 K C 0.100 176.094 176.600 -1.009 0.000 1.025 361 K CA -0.259 55.721 56.287 -0.511 0.000 0.900 361 K CB 0.621 32.994 32.500 -0.212 0.000 1.494 361 K HN 0.673 nan 8.250 nan 0.000 0.442 362 R N 1.515 121.680 120.500 -0.559 0.000 2.543 362 R HA 0.197 4.537 4.340 0.000 0.000 0.277 362 R C 0.364 176.577 176.300 -0.145 0.000 1.074 362 R CA -0.686 55.234 56.100 -0.301 0.000 1.076 362 R CB 0.333 30.649 30.300 0.025 0.000 0.993 362 R HN 0.719 nan 8.270 nan 0.000 0.459 363 H N 1.407 120.422 119.070 -0.091 0.000 2.615 363 H HA 0.056 4.612 4.556 0.000 0.000 0.363 363 H C 0.855 176.168 175.328 -0.025 0.000 1.148 363 H CA 0.425 56.445 56.048 -0.047 0.000 1.401 363 H CB 1.382 31.163 29.762 0.032 0.000 1.461 363 H HN 0.757 nan 8.280 nan 0.000 0.588 364 A N 4.550 127.089 122.820 -0.469 0.000 1.986 364 A HA -0.215 4.105 4.320 0.000 0.000 0.220 364 A C 2.786 180.353 177.584 -0.028 0.000 1.171 364 A CA 2.155 54.043 52.037 -0.248 0.000 0.640 364 A CB -1.249 17.544 19.000 -0.346 0.000 0.811 364 A HN 0.676 nan 8.150 nan 0.000 0.451 365 L N -1.871 119.448 121.223 0.160 0.000 2.551 365 L HA 0.400 4.740 4.340 0.000 0.000 0.228 365 L C 2.085 179.112 176.870 0.262 0.000 1.153 365 L CA 1.574 56.496 54.840 0.138 0.000 0.851 365 L CB -2.224 39.761 42.059 -0.125 0.000 0.959 365 L HN 1.701 nan 8.230 nan 0.000 0.451 366 G N -1.837 107.108 108.800 0.242 0.000 2.536 366 G HA2 -0.351 3.609 3.960 0.000 0.000 0.280 366 G HA3 -0.351 3.609 3.960 0.000 0.000 0.280 366 G C 0.590 175.661 174.900 0.284 0.000 1.152 366 G CA 1.114 46.308 45.100 0.157 0.000 0.970 366 G HN 1.399 nan 8.290 nan 0.000 0.549 367 H N -1.376 117.793 119.070 0.165 0.000 1.452 367 H HA -0.295 4.261 4.556 0.000 0.000 0.090 367 H C 2.170 177.521 175.328 0.037 0.000 1.113 367 H CA 3.494 59.602 56.048 0.099 0.000 1.901 367 H CB -1.250 28.588 29.762 0.128 0.000 2.257 367 H HN 1.622 nan 8.280 nan 0.000 0.961 368 G N -0.581 108.267 108.800 0.080 0.000 3.192 368 G HA2 0.284 4.244 3.960 0.000 0.000 0.239 368 G HA3 0.284 4.244 3.960 0.000 0.000 0.239 368 G C -0.544 174.296 174.900 -0.100 0.000 1.084 368 G CA -0.252 44.797 45.100 -0.084 0.000 0.784 368 G HN 0.154 nan 8.290 nan 0.000 0.540 369 F N 0.790 120.836 119.950 0.161 0.000 2.467 369 F HA 0.573 5.100 4.527 0.000 0.000 0.362 369 F C -0.145 175.801 175.800 0.243 0.000 1.090 369 F CA -0.800 57.288 58.000 0.148 0.000 1.202 369 F CB 0.751 39.801 39.000 0.082 0.000 1.113 369 F HN -0.041 nan 8.300 nan 0.000 0.541 370 F N 2.041 122.133 119.950 0.236 0.000 2.576 370 F HA 0.375 4.902 4.527 0.000 0.000 0.313 370 F C -0.239 175.668 175.800 0.178 0.000 1.078 370 F CA -1.006 57.105 58.000 0.184 0.000 0.921 370 F CB 1.397 40.469 39.000 0.121 0.000 1.232 370 F HN 0.417 nan 8.300 nan 0.000 0.459 371 E N 5.240 125.350 120.200 -0.150 0.000 2.324 371 E HA 0.165 4.515 4.350 0.000 0.000 0.271 371 E C -2.348 174.355 176.600 0.172 0.000 1.028 371 E CA -1.660 54.740 56.400 0.000 0.000 0.890 371 E CB 0.283 29.903 29.700 -0.134 0.000 1.004 371 E HN 0.175 nan 8.360 nan 0.000 0.431 372 P HA -0.023 nan 4.420 nan 0.000 0.262 372 P C -0.908 176.456 177.300 0.107 0.000 1.199 372 P CA 0.287 63.444 63.100 0.095 0.000 0.763 372 P CB 0.595 32.166 31.700 -0.216 0.000 0.790 373 T N 2.519 117.228 114.554 0.258 0.000 2.918 373 T HA 0.558 4.908 4.350 0.000 0.000 0.286 373 T C -0.306 174.511 174.700 0.194 0.000 1.026 373 T CA -0.486 61.739 62.100 0.208 0.000 1.031 373 T CB 1.205 70.243 68.868 0.283 0.000 1.046 373 T HN 0.006 nan 8.240 nan 0.000 0.479 374 V N 3.093 123.067 119.914 0.099 0.000 2.760 374 V HA 0.566 4.686 4.120 0.000 0.000 0.309 374 V C -0.926 175.184 176.094 0.027 0.000 1.077 374 V CA -0.847 61.482 62.300 0.048 0.000 0.910 374 V CB 1.863 33.664 31.823 -0.036 0.000 1.008 374 V HN 0.691 nan 8.190 nan 0.000 0.424 375 L N 3.697 124.931 121.223 0.018 0.000 2.386 375 L HA 0.741 5.081 4.340 0.000 0.000 0.271 375 L C 0.182 177.050 176.870 -0.003 0.000 0.993 375 L CA -0.406 54.438 54.840 0.008 0.000 0.819 375 L CB 2.615 44.678 42.059 0.007 0.000 1.294 375 L HN 0.784 nan 8.230 nan 0.000 0.414 376 T N -1.845 112.723 114.554 0.022 0.000 2.944 376 T HA 0.594 4.944 4.350 0.000 0.000 0.284 376 T C 0.882 175.618 174.700 0.060 0.000 1.010 376 T CA -0.082 62.078 62.100 0.100 0.000 1.025 376 T CB 1.666 70.630 68.868 0.160 0.000 1.079 376 T HN 0.964 nan 8.240 nan 0.000 0.516 377 G N 0.089 108.946 108.800 0.095 0.000 2.198 377 G HA2 -0.187 3.773 3.960 0.000 0.000 0.257 377 G HA3 -0.187 3.773 3.960 0.000 0.000 0.257 377 G C -0.042 174.793 174.900 -0.109 0.000 1.042 377 G CA -0.081 45.005 45.100 -0.024 0.000 0.791 377 G HN 0.965 nan 8.290 nan 0.000 0.502 378 V N 0.170 119.953 119.914 -0.218 0.000 2.455 378 V HA 0.697 4.817 4.120 0.000 0.000 0.273 378 V C 0.746 176.495 176.094 -0.576 0.000 1.045 378 V CA 0.678 62.692 62.300 -0.476 0.000 0.976 378 V CB 0.815 32.175 31.823 -0.771 0.000 0.993 378 V HN 0.873 nan 8.190 nan 0.000 0.475 379 K N 5.846 126.063 120.400 -0.305 0.000 2.281 379 K HA 0.689 5.009 4.320 0.000 0.000 0.242 379 K C -2.331 174.333 176.600 0.108 0.000 0.971 379 K CA -1.817 54.440 56.287 -0.050 0.000 0.834 379 K CB 0.705 33.204 32.500 -0.002 0.000 1.181 379 K HN 0.451 nan 8.250 nan 0.000 0.435 380 P HA -0.129 nan 4.420 nan 0.000 0.228 380 P C 0.308 177.710 177.300 0.170 0.000 1.151 380 P CA 1.142 64.429 63.100 0.312 0.000 0.770 380 P CB 0.256 32.106 31.700 0.250 0.000 0.786 381 D N -1.830 118.633 120.400 0.105 0.000 2.371 381 D HA -0.084 4.556 4.640 0.000 0.000 0.221 381 D C 0.663 176.991 176.300 0.046 0.000 0.986 381 D CA 0.539 54.577 54.000 0.065 0.000 0.899 381 D CB -0.661 40.165 40.800 0.043 0.000 0.902 381 D HN 0.190 nan 8.370 nan 0.000 0.530 382 M N 0.651 120.275 119.600 0.040 0.000 2.288 382 M HA 0.124 4.604 4.480 0.000 0.000 0.334 382 M C 0.728 177.020 176.300 -0.013 0.000 1.150 382 M CA -0.699 54.599 55.300 -0.004 0.000 1.118 382 M CB 1.239 33.803 32.600 -0.060 0.000 1.501 382 M HN -0.350 nan 8.290 nan 0.000 0.462 383 D N 0.940 121.301 120.400 -0.065 0.000 2.123 383 D HA -0.144 4.496 4.640 0.000 0.000 0.196 383 D C 1.759 177.898 176.300 -0.268 0.000 0.992 383 D CA 1.195 55.133 54.000 -0.103 0.000 0.833 383 D CB -0.113 40.655 40.800 -0.054 0.000 0.954 383 D HN 0.422 nan 8.370 nan 0.000 0.455 384 V N 0.628 120.252 119.914 -0.483 0.000 3.026 384 V HA -0.138 3.982 4.120 0.000 0.000 0.265 384 V C 1.992 178.068 176.094 -0.030 0.000 1.121 384 V CA 1.622 63.632 62.300 -0.483 0.000 1.142 384 V CB -0.430 31.181 31.823 -0.354 0.000 0.730 384 V HN 0.179 nan 8.190 nan 0.000 0.503 385 A N -0.459 122.421 122.820 0.101 0.000 2.066 385 A HA 0.002 4.322 4.320 0.000 0.000 0.218 385 A C 2.251 179.905 177.584 0.118 0.000 1.157 385 A CA 1.966 54.131 52.037 0.213 0.000 0.670 385 A CB -0.381 18.804 19.000 0.308 0.000 0.804 385 A HN 0.619 nan 8.150 nan 0.000 0.453 386 K N -0.254 120.206 120.400 0.100 0.000 2.344 386 K HA 0.287 4.607 4.320 0.000 0.000 0.200 386 K C 0.731 177.446 176.600 0.193 0.000 1.132 386 K CA 0.543 56.918 56.287 0.148 0.000 0.935 386 K CB -0.100 32.478 32.500 0.129 0.000 1.089 386 K HN 0.576 nan 8.250 nan 0.000 0.496 387 E N 0.999 121.294 120.200 0.159 0.000 2.313 387 E HA 0.216 4.566 4.350 0.000 0.000 0.272 387 E C -0.972 175.731 176.600 0.172 0.000 1.038 387 E CA -0.413 56.117 56.400 0.216 0.000 0.863 387 E CB 1.338 31.259 29.700 0.369 0.000 1.060 387 E HN 0.452 nan 8.360 nan 0.000 0.402 388 E N 0.552 120.767 120.200 0.024 0.000 2.373 388 E HA 0.026 4.376 4.350 0.000 0.000 0.267 388 E C 0.350 176.931 176.600 -0.032 0.000 1.032 388 E CA 0.057 56.346 56.400 -0.185 0.000 0.889 388 E CB 0.972 30.294 29.700 -0.629 0.000 0.984 388 E HN 0.428 nan 8.360 nan 0.000 0.425 389 T N 2.493 117.006 114.554 -0.068 0.000 2.976 389 T HA -0.032 4.318 4.350 0.000 0.000 0.257 389 T C 0.170 174.880 174.700 0.016 0.000 1.051 389 T CA -0.002 62.087 62.100 -0.020 0.000 1.141 389 T CB -0.113 68.811 68.868 0.092 0.000 0.881 389 T HN 0.551 nan 8.240 nan 0.000 0.461 390 F N 1.108 121.061 119.950 0.004 0.000 3.079 390 F HA -0.118 4.409 4.527 0.000 0.000 0.274 390 F C 0.944 176.760 175.800 0.027 0.000 0.940 390 F CA 0.536 58.556 58.000 0.033 0.000 0.932 390 F CB -1.761 37.289 39.000 0.083 0.000 0.891 390 F HN 0.327 nan 8.300 nan 0.000 0.722 391 G N -1.444 107.418 108.800 0.104 0.000 2.788 391 G HA2 0.715 4.675 3.960 0.000 0.000 0.293 391 G HA3 0.715 4.675 3.960 0.000 0.000 0.293 391 G C -3.092 171.851 174.900 0.072 0.000 1.392 391 G CA -1.150 43.986 45.100 0.060 0.000 0.810 391 G HN -0.229 nan 8.290 nan 0.000 0.508 392 P HA 0.324 nan 4.420 nan 0.000 0.214 392 P C -0.872 176.636 177.300 0.347 0.000 1.826 392 P CA -0.259 63.027 63.100 0.310 0.000 0.977 392 P CB 0.287 32.255 31.700 0.447 0.000 1.930 393 L N 0.980 122.292 121.223 0.149 0.000 2.372 393 L HA 0.744 5.084 4.340 0.000 0.000 0.274 393 L C -0.766 176.176 176.870 0.120 0.000 0.988 393 L CA -1.088 53.850 54.840 0.164 0.000 0.833 393 L CB 1.505 43.641 42.059 0.129 0.000 1.236 393 L HN 0.085 nan 8.230 nan 0.000 0.410 394 A N 7.296 130.222 122.820 0.177 0.000 2.280 394 A HA 0.838 5.158 4.320 0.000 0.000 0.320 394 A C -2.636 175.054 177.584 0.176 0.000 1.366 394 A CA -1.224 50.946 52.037 0.221 0.000 0.938 394 A CB -0.093 18.963 19.000 0.094 0.000 1.157 394 A HN 0.523 nan 8.150 nan 0.000 0.536 395 P HA 0.506 nan 4.420 nan 0.000 0.304 395 P C -0.975 176.438 177.300 0.188 0.000 1.360 395 P CA -0.345 62.828 63.100 0.121 0.000 0.869 395 P CB 1.324 33.061 31.700 0.062 0.000 0.988 396 L N 4.275 125.529 121.223 0.051 0.000 2.265 396 L HA 0.490 4.830 4.340 0.000 0.000 0.289 396 L C 0.118 177.074 176.870 0.143 0.000 1.033 396 L CA -0.554 54.370 54.840 0.140 0.000 0.814 396 L CB 0.107 42.151 42.059 -0.025 0.000 1.203 396 L HN 0.238 nan 8.230 nan 0.000 0.423 397 F N 2.024 122.035 119.950 0.101 0.000 2.408 397 F HA 0.603 5.130 4.527 0.000 0.000 0.325 397 F C 0.527 176.556 175.800 0.383 0.000 1.082 397 F CA -0.665 57.407 58.000 0.120 0.000 1.032 397 F CB 1.363 40.221 39.000 -0.236 0.000 1.259 397 F HN 0.403 nan 8.300 nan 0.000 0.503 398 R N 2.118 122.935 120.500 0.527 0.000 2.670 398 R HA 0.596 4.937 4.340 0.000 0.000 0.289 398 R C -1.729 174.810 176.300 0.399 0.000 0.965 398 R CA -0.556 55.762 56.100 0.363 0.000 0.899 398 R CB 1.609 31.883 30.300 -0.043 0.000 1.173 398 R HN 0.689 nan 8.270 nan 0.000 0.456 399 F N 0.451 120.446 119.950 0.075 0.000 2.643 399 F HA 0.757 5.284 4.527 0.000 0.000 0.314 399 F C -0.514 175.122 175.800 -0.273 0.000 1.096 399 F CA -0.675 57.294 58.000 -0.053 0.000 0.953 399 F CB 1.761 40.731 39.000 -0.051 0.000 1.345 399 F HN 0.474 nan 8.300 nan 0.000 0.468 400 A N 0.565 123.287 122.820 -0.163 0.000 2.074 400 A HA 0.537 4.857 4.320 0.000 0.000 0.200 400 A C 0.364 177.876 177.584 -0.121 0.000 1.335 400 A CA 0.750 52.585 52.037 -0.337 0.000 0.922 400 A CB -0.522 18.407 19.000 -0.118 0.000 0.972 400 A HN 1.097 nan 8.150 nan 0.000 0.475 401 S N -1.447 114.350 115.700 0.162 0.000 2.595 401 S HA 0.494 4.964 4.470 0.000 0.000 0.281 401 S C 0.355 175.181 174.600 0.377 0.000 1.117 401 S CA 0.145 58.507 58.200 0.270 0.000 0.873 401 S CB 1.724 65.022 63.200 0.162 0.000 1.108 401 S HN 0.251 nan 8.310 nan 0.000 0.477 402 E N 0.982 121.426 120.200 0.405 0.000 2.048 402 E HA -0.274 4.077 4.350 0.000 0.000 0.202 402 E C 1.700 178.394 176.600 0.158 0.000 1.021 402 E CA 1.984 58.602 56.400 0.364 0.000 0.825 402 E CB -0.231 29.625 29.700 0.260 0.000 0.756 402 E HN 0.845 nan 8.360 nan 0.000 0.454 403 E N 0.091 120.357 120.200 0.109 0.000 2.160 403 E HA -0.277 4.073 4.350 0.000 0.000 0.195 403 E C 2.047 178.652 176.600 0.008 0.000 0.991 403 E CA 1.245 57.672 56.400 0.046 0.000 0.810 403 E CB -0.033 29.694 29.700 0.044 0.000 0.742 403 E HN 0.311 nan 8.360 nan 0.000 0.466 404 E N 0.270 120.488 120.200 0.031 0.000 2.051 404 E HA -0.208 4.142 4.350 0.000 0.000 0.192 404 E C 2.337 178.858 176.600 -0.131 0.000 0.991 404 E CA 0.971 57.368 56.400 -0.004 0.000 0.799 404 E CB -0.095 29.647 29.700 0.069 0.000 0.748 404 E HN 0.262 nan 8.360 nan 0.000 0.449 405 L N 0.511 121.595 121.223 -0.231 0.000 2.046 405 L HA -0.151 4.189 4.340 0.000 0.000 0.208 405 L C 2.262 178.840 176.870 -0.487 0.000 1.077 405 L CA 1.165 55.633 54.840 -0.621 0.000 0.747 405 L CB -0.203 41.228 42.059 -1.046 0.000 0.896 405 L HN 0.004 nan 8.230 nan 0.000 0.432 406 V N -0.115 119.648 119.914 -0.251 0.000 2.295 406 V HA -0.282 3.838 4.120 0.000 0.000 0.246 406 V C 2.755 178.745 176.094 -0.174 0.000 1.049 406 V CA 2.085 64.279 62.300 -0.176 0.000 1.024 406 V CB -0.713 31.064 31.823 -0.076 0.000 0.648 406 V HN 0.457 nan 8.190 nan 0.000 0.447 407 R N -0.706 119.707 120.500 -0.146 0.000 2.096 407 R HA -0.189 4.151 4.340 0.000 0.000 0.240 407 R C 2.244 178.449 176.300 -0.158 0.000 1.139 407 R CA 1.601 57.630 56.100 -0.118 0.000 0.952 407 R CB -0.404 29.849 30.300 -0.077 0.000 0.854 407 R HN 0.302 nan 8.270 nan 0.000 0.436 408 L N 0.009 121.074 121.223 -0.263 0.000 1.994 408 L HA -0.120 4.220 4.340 0.000 0.000 0.208 408 L C 2.504 179.157 176.870 -0.361 0.000 1.071 408 L CA 2.042 56.687 54.840 -0.325 0.000 0.745 408 L CB -1.509 40.219 42.059 -0.552 0.000 0.892 408 L HN 0.214 nan 8.230 nan 0.000 0.431 409 A N -0.379 122.118 122.820 -0.538 0.000 1.933 409 A HA -0.180 4.140 4.320 0.000 0.000 0.218 409 A C 1.861 179.448 177.584 0.006 0.000 1.175 409 A CA 1.659 53.514 52.037 -0.304 0.000 0.628 409 A CB -0.513 18.271 19.000 -0.359 0.000 0.814 409 A HN 0.495 nan 8.150 nan 0.000 0.444 410 N N 0.131 118.802 118.700 -0.048 0.000 2.398 410 N HA 0.014 4.754 4.740 0.000 0.000 0.188 410 N C -0.327 175.147 175.510 -0.060 0.000 1.122 410 N CA 0.459 53.486 53.050 -0.040 0.000 0.866 410 N CB -0.078 38.371 38.487 -0.064 0.000 0.970 410 N HN 0.480 nan 8.380 nan 0.000 0.462 411 D N 0.433 120.806 120.400 -0.045 0.000 2.741 411 D HA 0.120 4.760 4.640 0.000 0.000 0.233 411 D C -0.647 175.653 176.300 -0.000 0.000 1.160 411 D CA -0.013 53.969 54.000 -0.030 0.000 1.003 411 D CB -0.012 40.775 40.800 -0.022 0.000 1.064 411 D HN -0.068 nan 8.370 nan 0.000 0.503 412 T N -1.083 113.457 114.554 -0.024 0.000 2.830 412 T HA 0.486 4.836 4.350 0.000 0.000 0.322 412 T C 0.803 175.422 174.700 -0.135 0.000 1.501 412 T CA 0.138 62.231 62.100 -0.012 0.000 1.036 412 T CB 0.976 69.920 68.868 0.127 0.000 1.379 412 T HN -0.009 nan 8.240 nan 0.000 0.493 413 E N 1.559 121.583 120.200 -0.295 0.000 2.216 413 E HA 0.277 4.627 4.350 0.000 0.000 0.192 413 E C 0.284 176.592 176.600 -0.487 0.000 0.988 413 E CA 0.796 56.918 56.400 -0.463 0.000 0.834 413 E CB -0.355 28.958 29.700 -0.645 0.000 0.772 413 E HN 0.543 nan 8.360 nan 0.000 0.479 414 F N -0.737 119.166 119.950 -0.078 0.000 2.370 414 F HA 0.588 5.115 4.527 0.000 0.000 0.319 414 F C 1.351 177.004 175.800 -0.245 0.000 1.129 414 F CA -0.295 57.647 58.000 -0.097 0.000 1.109 414 F CB 2.002 40.988 39.000 -0.023 0.000 1.262 414 F HN 0.004 nan 8.300 nan 0.000 0.534 415 G N 1.395 110.153 108.800 -0.069 0.000 4.379 415 G HA2 0.370 4.330 3.960 0.000 0.000 0.243 415 G HA3 0.370 4.330 3.960 0.000 0.000 0.243 415 G C -0.544 174.265 174.900 -0.152 0.000 1.009 415 G CA -0.122 44.713 45.100 -0.442 0.000 0.646 415 G HN 0.555 nan 8.290 nan 0.000 0.475 416 L N 0.967 122.246 121.223 0.093 0.000 2.428 416 L HA 0.892 5.232 4.340 0.000 0.000 0.190 416 L C 1.145 178.039 176.870 0.040 0.000 1.255 416 L CA 1.193 56.049 54.840 0.026 0.000 0.848 416 L CB -0.044 42.010 42.059 -0.008 0.000 1.088 416 L HN 0.328 nan 8.230 nan 0.000 0.500 417 A N -0.762 122.071 122.820 0.021 0.000 2.355 417 A HA 0.878 5.198 4.320 0.000 0.000 0.324 417 A C -1.067 176.232 177.584 -0.474 0.000 1.117 417 A CA 0.059 51.951 52.037 -0.241 0.000 0.785 417 A CB 1.135 20.006 19.000 -0.215 0.000 1.254 417 A HN 0.615 nan 8.150 nan 0.000 0.453 418 A N 0.700 123.043 122.820 -0.795 0.000 2.572 418 A HA 0.804 5.124 4.320 0.000 0.000 0.295 418 A C -1.752 175.248 177.584 -0.974 0.000 1.072 418 A CA -0.453 51.069 52.037 -0.858 0.000 0.691 418 A CB 0.988 19.387 19.000 -1.001 0.000 1.291 418 A HN 0.931 nan 8.150 nan 0.000 0.404 419 Y N -0.065 120.035 120.300 -0.334 0.000 2.477 419 Y HA 0.698 5.248 4.550 0.000 0.000 0.347 419 Y C -0.586 175.058 175.900 -0.427 0.000 0.981 419 Y CA -0.905 56.962 58.100 -0.388 0.000 1.033 419 Y CB 2.354 40.522 38.460 -0.486 0.000 1.245 419 Y HN 0.639 nan 8.280 nan 0.000 0.455 420 L N 3.283 124.379 121.223 -0.211 0.000 2.438 420 L HA 0.568 4.908 4.340 0.000 0.000 0.270 420 L C -2.204 174.605 176.870 -0.102 0.000 0.972 420 L CA -1.055 53.723 54.840 -0.102 0.000 0.831 420 L CB 1.059 43.060 42.059 -0.097 0.000 1.273 420 L HN 0.597 nan 8.230 nan 0.000 0.405 421 Y N 3.745 124.036 120.300 -0.014 0.000 2.328 421 Y HA 0.742 5.292 4.550 0.000 0.000 0.333 421 Y C 0.297 176.298 175.900 0.168 0.000 0.958 421 Y CA -0.052 58.085 58.100 0.062 0.000 1.167 421 Y CB 2.049 40.561 38.460 0.087 0.000 1.151 421 Y HN 0.723 nan 8.280 nan 0.000 0.470 422 S N 2.063 117.861 115.700 0.164 0.000 2.587 422 S HA 0.511 4.981 4.470 0.000 0.000 0.269 422 S C -0.117 174.507 174.600 0.039 0.000 1.154 422 S CA -0.773 57.493 58.200 0.110 0.000 0.824 422 S CB 1.319 64.501 63.200 -0.029 0.000 1.118 422 S HN 0.641 nan 8.310 nan 0.000 0.462 423 R N 0.947 121.466 120.500 0.030 0.000 2.279 423 R HA 0.285 4.626 4.340 0.000 0.000 0.195 423 R C -0.454 175.847 176.300 0.002 0.000 0.905 423 R CA 0.103 56.216 56.100 0.023 0.000 1.044 423 R CB -0.746 29.578 30.300 0.039 0.000 1.056 423 R HN 0.674 nan 8.270 nan 0.000 0.535 424 D N 0.997 121.383 120.400 -0.023 0.000 2.325 424 D HA 0.064 4.704 4.640 0.000 0.000 0.251 424 D C 1.332 177.625 176.300 -0.012 0.000 1.196 424 D CA -0.044 53.940 54.000 -0.027 0.000 0.866 424 D CB 0.731 41.498 40.800 -0.054 0.000 1.101 424 D HN -0.043 nan 8.370 nan 0.000 0.476 425 I N 3.367 123.952 120.570 0.025 0.000 2.248 425 I HA -0.180 3.990 4.170 0.000 0.000 0.248 425 I C 1.847 178.039 176.117 0.125 0.000 1.107 425 I CA 1.745 63.099 61.300 0.090 0.000 1.373 425 I CB 0.043 38.090 38.000 0.077 0.000 1.055 425 I HN 0.600 nan 8.210 nan 0.000 0.418 426 G N 0.124 108.950 108.800 0.044 0.000 2.394 426 G HA2 -0.251 3.709 3.960 0.000 0.000 0.215 426 G HA3 -0.251 3.709 3.960 0.000 0.000 0.215 426 G C 1.772 176.691 174.900 0.031 0.000 1.165 426 G CA 0.653 45.775 45.100 0.036 0.000 0.784 426 G HN 0.381 nan 8.290 nan 0.000 0.535 427 R N 0.008 120.481 120.500 -0.046 0.000 2.081 427 R HA -0.021 4.319 4.340 0.000 0.000 0.235 427 R C 2.553 178.773 176.300 -0.132 0.000 1.131 427 R CA 1.372 57.383 56.100 -0.149 0.000 0.960 427 R CB -0.423 29.690 30.300 -0.312 0.000 0.856 427 R HN 0.214 nan 8.270 nan 0.000 0.436 428 V N -0.022 119.845 119.914 -0.079 0.000 2.287 428 V HA -0.273 3.847 4.120 0.000 0.000 0.248 428 V C 1.875 177.924 176.094 -0.074 0.000 1.053 428 V CA 2.092 64.340 62.300 -0.086 0.000 1.027 428 V CB -0.581 31.202 31.823 -0.067 0.000 0.646 428 V HN 0.472 nan 8.190 nan 0.000 0.447 429 W N 0.125 121.375 121.300 -0.083 0.000 2.381 429 W HA -0.067 4.593 4.660 0.000 0.000 0.301 429 W C 2.782 179.266 176.519 -0.059 0.000 1.205 429 W CA 1.458 58.765 57.345 -0.064 0.000 1.285 429 W CB -0.331 29.097 29.460 -0.053 0.000 1.133 429 W HN 0.048 nan 8.180 nan 0.000 0.521 430 R N -0.309 120.287 120.500 0.160 0.000 2.082 430 R HA -0.193 4.147 4.340 0.000 0.000 0.234 430 R C 1.915 178.231 176.300 0.026 0.000 1.136 430 R CA 2.171 58.317 56.100 0.077 0.000 0.935 430 R CB -1.290 29.031 30.300 0.035 0.000 0.842 430 R HN 0.084 nan 8.270 nan 0.000 0.430 431 V N 0.995 120.901 119.914 -0.012 0.000 2.261 431 V HA -0.261 3.860 4.120 0.000 0.000 0.246 431 V C 2.476 178.539 176.094 -0.050 0.000 1.047 431 V CA 2.013 64.304 62.300 -0.016 0.000 1.015 431 V CB -0.841 30.989 31.823 0.012 0.000 0.642 431 V HN 0.462 nan 8.190 nan 0.000 0.446 432 A N -0.611 122.146 122.820 -0.104 0.000 1.940 432 A HA -0.264 4.056 4.320 0.000 0.000 0.219 432 A C 2.177 179.686 177.584 -0.125 0.000 1.176 432 A CA 1.999 53.936 52.037 -0.166 0.000 0.631 432 A CB -0.475 18.343 19.000 -0.304 0.000 0.814 432 A HN 0.653 nan 8.150 nan 0.000 0.446 433 E N -0.699 119.458 120.200 -0.071 0.000 2.152 433 E HA -0.007 4.343 4.350 0.000 0.000 0.192 433 E C 2.122 178.712 176.600 -0.016 0.000 0.983 433 E CA 0.735 57.121 56.400 -0.022 0.000 0.818 433 E CB -0.157 29.578 29.700 0.057 0.000 0.758 433 E HN 0.634 nan 8.360 nan 0.000 0.467 434 A N 0.857 123.669 122.820 -0.014 0.000 2.072 434 A HA 0.066 4.386 4.320 0.000 0.000 0.216 434 A C 1.120 178.696 177.584 -0.013 0.000 1.156 434 A CA -0.004 52.025 52.037 -0.013 0.000 0.701 434 A CB -0.092 18.902 19.000 -0.009 0.000 0.816 434 A HN 0.068 nan 8.150 nan 0.000 0.458 435 L N 1.620 122.843 121.223 -0.000 0.000 2.477 435 L HA 0.060 4.401 4.340 0.000 0.000 0.272 435 L C -0.031 176.894 176.870 0.091 0.000 1.157 435 L CA -0.044 54.845 54.840 0.083 0.000 0.889 435 L CB 0.483 42.577 42.059 0.059 0.000 1.158 435 L HN 0.350 nan 8.230 nan 0.000 0.473 436 E N 4.851 125.064 120.200 0.022 0.000 1.979 436 E HA 0.191 4.541 4.350 0.000 0.000 0.285 436 E C -1.371 174.931 176.600 -0.497 0.000 1.188 436 E CA -0.042 56.241 56.400 -0.195 0.000 1.214 436 E CB 0.108 29.664 29.700 -0.240 0.000 1.210 436 E HN 0.370 nan 8.360 nan 0.000 0.477 437 Y N -1.399 118.825 120.300 -0.125 0.000 2.524 437 Y HA 0.312 4.862 4.550 0.000 0.000 0.347 437 Y C 1.365 177.164 175.900 -0.168 0.000 1.005 437 Y CA -1.029 56.982 58.100 -0.147 0.000 1.025 437 Y CB 1.799 40.152 38.460 -0.178 0.000 1.275 437 Y HN 0.255 nan 8.280 nan 0.000 0.460 438 G N 1.506 110.269 108.800 -0.061 0.000 2.448 438 G HA2 0.018 3.978 3.960 0.000 0.000 0.218 438 G HA3 0.018 3.978 3.960 0.000 0.000 0.218 438 G C 0.138 174.944 174.900 -0.158 0.000 1.135 438 G CA 0.526 45.547 45.100 -0.131 0.000 0.784 438 G HN 0.446 nan 8.290 nan 0.000 0.543 439 M N 0.347 119.847 119.600 -0.167 0.000 2.271 439 M HA 0.436 4.916 4.480 0.000 0.000 0.285 439 M C -1.820 174.308 176.300 -0.288 0.000 1.059 439 M CA -0.436 54.726 55.300 -0.231 0.000 0.940 439 M CB 3.457 35.874 32.600 -0.306 0.000 1.636 439 M HN -0.252 nan 8.290 nan 0.000 0.460 440 V N 1.801 121.543 119.914 -0.286 0.000 2.482 440 V HA 0.653 4.773 4.120 0.000 0.000 0.295 440 V C 0.237 176.137 176.094 -0.323 0.000 1.026 440 V CA -0.784 61.304 62.300 -0.353 0.000 0.856 440 V CB 1.847 33.502 31.823 -0.280 0.000 1.001 440 V HN 1.001 nan 8.190 nan 0.000 0.424 441 G N 4.653 113.220 108.800 -0.389 0.000 2.353 441 G HA2 0.671 4.631 3.960 0.000 0.000 0.284 441 G HA3 0.671 4.631 3.960 0.000 0.000 0.284 441 G C -0.648 174.126 174.900 -0.211 0.000 1.172 441 G CA -0.348 44.635 45.100 -0.194 0.000 0.854 441 G HN 0.645 nan 8.290 nan 0.000 0.485 442 I N 2.502 122.937 120.570 -0.224 0.000 2.390 442 I HA 0.180 4.350 4.170 0.000 0.000 0.283 442 I C -0.110 175.782 176.117 -0.375 0.000 1.016 442 I CA -0.756 60.371 61.300 -0.288 0.000 1.151 442 I CB 1.377 39.231 38.000 -0.243 0.000 1.293 442 I HN 0.514 nan 8.210 nan 0.000 0.458 443 N N 2.263 120.528 118.700 -0.726 0.000 2.741 443 N HA -0.173 4.567 4.740 0.000 0.000 0.250 443 N C -0.163 174.914 175.510 -0.722 0.000 1.115 443 N CA 1.239 53.614 53.050 -1.126 0.000 0.724 443 N CB -0.855 37.363 38.487 -0.448 0.000 1.090 443 N HN 0.719 nan 8.380 nan 0.000 0.558 444 T N -2.628 111.654 114.554 -0.454 0.000 2.889 444 T HA 0.599 4.949 4.350 0.000 0.000 0.315 444 T C 0.701 175.573 174.700 0.286 0.000 1.291 444 T CA 0.148 62.287 62.100 0.066 0.000 1.028 444 T CB 1.552 70.449 68.868 0.048 0.000 1.235 444 T HN 0.083 nan 8.240 nan 0.000 0.491 445 G N 1.767 110.771 108.800 0.340 0.000 3.192 445 G HA2 0.402 4.362 3.960 0.000 0.000 0.239 445 G HA3 0.402 4.362 3.960 0.000 0.000 0.239 445 G C -0.155 174.829 174.900 0.140 0.000 1.084 445 G CA -0.083 45.131 45.100 0.190 0.000 0.784 445 G HN 0.559 nan 8.290 nan 0.000 0.540 446 L N 1.636 122.973 121.223 0.190 0.000 2.343 446 L HA 0.490 4.830 4.340 0.000 0.000 0.278 446 L C 0.746 177.703 176.870 0.146 0.000 0.996 446 L CA -0.678 54.251 54.840 0.149 0.000 0.831 446 L CB 1.839 43.946 42.059 0.079 0.000 1.232 446 L HN 0.261 nan 8.230 nan 0.000 0.413 447 I N -2.229 118.440 120.570 0.165 0.000 4.456 447 I HA 0.271 4.441 4.170 0.000 0.000 0.329 447 I C 0.468 176.635 176.117 0.083 0.000 1.313 447 I CA -0.032 61.331 61.300 0.104 0.000 1.205 447 I CB 1.005 39.052 38.000 0.078 0.000 1.179 447 I HN 0.311 nan 8.210 nan 0.000 0.419 448 S N 3.155 118.908 115.700 0.089 0.000 2.523 448 S HA 0.494 4.964 4.470 0.000 0.000 0.275 448 S C -0.386 174.218 174.600 0.007 0.000 1.281 448 S CA -0.346 57.916 58.200 0.104 0.000 1.050 448 S CB 0.529 63.762 63.200 0.055 0.000 0.937 448 S HN 0.780 nan 8.310 nan 0.000 0.492 449 N N 0.328 119.078 118.700 0.084 0.000 3.261 449 N HA 0.160 4.900 4.740 0.000 0.000 0.248 449 N C 0.119 175.493 175.510 -0.227 0.000 1.498 449 N CA -0.834 52.198 53.050 -0.030 0.000 0.884 449 N CB 0.389 38.802 38.487 -0.124 0.000 1.428 449 N HN 0.358 nan 8.380 nan 0.000 0.517 450 E N -0.262 119.567 120.200 -0.619 0.000 2.299 450 E HA -0.058 4.292 4.350 0.000 0.000 0.193 450 E C 1.228 177.143 176.600 -1.142 0.000 0.998 450 E CA 1.468 57.234 56.400 -1.057 0.000 0.851 450 E CB -0.212 28.719 29.700 -1.282 0.000 0.795 450 E HN 0.544 nan 8.360 nan 0.000 0.492 451 V N -0.889 118.462 119.914 -0.939 0.000 3.541 451 V HA 0.459 4.579 4.120 0.000 0.000 0.267 451 V C 0.875 176.727 176.094 -0.404 0.000 1.213 451 V CA 0.247 61.968 62.300 -0.965 0.000 1.149 451 V CB -0.297 31.125 31.823 -0.667 0.000 0.822 451 V HN 0.290 nan 8.190 nan 0.000 0.462 452 A N 2.171 124.841 122.820 -0.250 0.000 2.312 452 A HA 0.837 5.157 4.320 0.000 0.000 0.326 452 A C -2.733 174.881 177.584 0.050 0.000 1.172 452 A CA -2.051 49.953 52.037 -0.056 0.000 0.821 452 A CB 0.663 19.657 19.000 -0.010 0.000 1.166 452 A HN 0.361 nan 8.150 nan 0.000 0.493 453 P HA 0.278 nan 4.420 nan 0.000 0.276 453 P C -1.192 176.198 177.300 0.149 0.000 1.243 453 P CA 0.271 63.462 63.100 0.152 0.000 0.768 453 P CB 0.367 32.125 31.700 0.098 0.000 0.856 454 F N 3.741 123.719 119.950 0.045 0.000 2.499 454 F HA 0.703 5.230 4.527 0.000 0.000 0.333 454 F C -0.092 175.717 175.800 0.015 0.000 1.138 454 F CA 0.210 58.229 58.000 0.031 0.000 0.945 454 F CB 1.661 40.703 39.000 0.070 0.000 1.181 454 F HN 0.615 nan 8.300 nan 0.000 0.435 455 G N 2.561 111.146 108.800 -0.358 0.000 2.328 455 G HA2 0.478 4.438 3.960 0.000 0.000 0.295 455 G HA3 0.478 4.438 3.960 0.000 0.000 0.295 455 G C -1.554 173.193 174.900 -0.255 0.000 1.413 455 G CA -0.202 44.778 45.100 -0.201 0.000 0.817 455 G HN 0.997 nan 8.290 nan 0.000 0.546 456 G N -1.761 106.953 108.800 -0.142 0.000 2.735 456 G HA2 0.954 4.914 3.960 0.000 0.000 0.301 456 G HA3 0.954 4.914 3.960 0.000 0.000 0.301 456 G C -0.187 174.657 174.900 -0.093 0.000 1.279 456 G CA 0.121 45.150 45.100 -0.118 0.000 1.019 456 G HN 1.872 nan 8.290 nan 0.000 0.497 457 V N -3.014 116.836 119.914 -0.107 0.000 3.181 457 V HA 0.859 4.980 4.120 0.000 0.000 0.314 457 V C 0.602 176.631 176.094 -0.108 0.000 1.173 457 V CA -0.438 61.796 62.300 -0.110 0.000 1.052 457 V CB 1.058 32.799 31.823 -0.137 0.000 1.123 457 V HN 1.095 nan 8.190 nan 0.000 0.454 458 K N -0.863 119.473 120.400 -0.107 0.000 1.867 458 K HA -0.234 4.086 4.320 0.000 0.000 0.140 458 K C 1.052 177.607 176.600 -0.076 0.000 1.408 458 K CA 1.782 58.002 56.287 -0.111 0.000 0.461 458 K CB -1.249 31.154 32.500 -0.162 0.000 0.594 458 K HN 0.818 nan 8.250 nan 0.000 0.888 459 Q N 0.578 120.320 119.800 -0.097 0.000 2.482 459 Q HA 0.088 4.428 4.340 0.000 0.000 0.209 459 Q C 1.279 177.348 176.000 0.115 0.000 0.961 459 Q CA 0.854 56.628 55.803 -0.050 0.000 0.945 459 Q CB 0.446 29.054 28.738 -0.217 0.000 1.012 459 Q HN 0.369 nan 8.270 nan 0.000 0.515 460 S N -0.188 115.581 115.700 0.115 0.000 2.562 460 S HA 0.267 4.737 4.470 0.000 0.000 0.221 460 S C 0.855 175.503 174.600 0.080 0.000 0.975 460 S CA 0.526 58.814 58.200 0.146 0.000 0.918 460 S CB 0.299 63.550 63.200 0.085 0.000 0.772 460 S HN 0.639 nan 8.310 nan 0.000 0.531 461 G N 0.344 109.175 108.800 0.052 0.000 2.331 461 G HA2 0.049 4.009 3.960 0.000 0.000 0.479 461 G HA3 0.049 4.009 3.960 0.000 0.000 0.479 461 G C -1.850 173.060 174.900 0.016 0.000 1.262 461 G CA -1.099 44.031 45.100 0.049 0.000 1.029 461 G HN 0.207 nan 8.290 nan 0.000 0.487 462 L N 0.685 121.922 121.223 0.023 0.000 2.386 462 L HA 0.730 5.070 4.340 0.000 0.000 0.271 462 L C 0.878 177.753 176.870 0.008 0.000 0.993 462 L CA 0.204 55.047 54.840 0.006 0.000 0.819 462 L CB 1.733 43.795 42.059 0.006 0.000 1.294 462 L HN 2.528 nan 8.230 nan 0.000 0.414 463 G N 2.048 110.846 108.800 -0.004 0.000 2.796 463 G HA2 -0.108 3.852 3.960 0.000 0.000 0.571 463 G HA3 -0.108 3.852 3.960 0.000 0.000 0.571 463 G C -1.190 173.728 174.900 0.030 0.000 1.370 463 G CA -0.869 44.237 45.100 0.010 0.000 0.856 463 G HN 0.487 nan 8.290 nan 0.000 0.538 464 R N 0.245 120.788 120.500 0.071 0.000 2.807 464 R HA 0.665 5.005 4.340 0.000 0.000 0.276 464 R C -0.374 176.053 176.300 0.212 0.000 0.979 464 R CA -0.714 55.456 56.100 0.118 0.000 0.928 464 R CB 1.867 32.206 30.300 0.065 0.000 1.191 464 R HN 0.752 nan 8.270 nan 0.000 0.471 465 E N -0.193 120.167 120.200 0.267 0.000 2.266 465 E HA 0.593 4.943 4.350 0.000 0.000 0.268 465 E C -0.427 176.398 176.600 0.375 0.000 0.879 465 E CA -0.650 55.933 56.400 0.305 0.000 0.762 465 E CB 2.409 32.216 29.700 0.177 0.000 1.199 465 E HN 0.785 nan 8.360 nan 0.000 0.422 466 G N 1.873 110.993 108.800 0.533 0.000 2.756 466 G HA2 -0.034 3.926 3.960 0.000 0.000 0.678 466 G HA3 -0.034 3.926 3.960 0.000 0.000 0.678 466 G C 0.026 175.052 174.900 0.210 0.000 1.349 466 G CA -0.178 45.145 45.100 0.373 0.000 0.847 466 G HN 1.573 nan 8.290 nan 0.000 0.548 467 S N -2.398 113.237 115.700 -0.108 0.000 3.381 467 S HA -0.233 4.237 4.470 0.000 0.000 0.636 467 S C 1.049 175.884 174.600 0.392 0.000 2.614 467 S CA 2.117 60.350 58.200 0.055 0.000 2.810 467 S CB -1.067 62.150 63.200 0.028 0.000 0.331 467 S HN 2.859 nan 8.310 nan 0.000 1.788 468 H N -0.209 119.012 119.070 0.250 0.000 2.547 468 H HA 0.279 4.835 4.556 0.000 0.000 0.272 468 H C 1.347 176.701 175.328 0.043 0.000 0.989 468 H CA 1.390 57.500 56.048 0.103 0.000 1.214 468 H CB -0.593 29.128 29.762 -0.069 0.000 1.389 468 H HN 0.583 nan 8.280 nan 0.000 0.577 469 Y N 0.689 120.954 120.300 -0.058 0.000 2.516 469 Y HA 0.191 4.741 4.550 0.000 0.000 0.291 469 Y C 2.614 178.642 175.900 0.214 0.000 1.131 469 Y CA 0.653 58.784 58.100 0.052 0.000 1.281 469 Y CB -0.120 38.307 38.460 -0.054 0.000 1.013 469 Y HN 0.486 nan 8.280 nan 0.000 0.554 470 G N -0.135 108.946 108.800 0.467 0.000 2.403 470 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 470 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 470 G C 1.626 176.840 174.900 0.524 0.000 1.154 470 G CA 0.701 46.135 45.100 0.557 0.000 0.784 470 G HN 0.480 nan 8.290 nan 0.000 0.538 471 I N 0.048 120.932 120.570 0.522 0.000 2.876 471 I HA 0.022 4.192 4.170 0.000 0.000 0.264 471 I C 1.624 177.965 176.117 0.373 0.000 1.204 471 I CA 0.508 62.050 61.300 0.404 0.000 1.485 471 I CB 0.095 38.308 38.000 0.356 0.000 1.103 471 I HN -0.021 nan 8.210 nan 0.000 0.446 472 D N 1.160 121.750 120.400 0.317 0.000 2.182 472 D HA -0.203 4.437 4.640 0.000 0.000 0.201 472 D C 1.356 177.762 176.300 0.178 0.000 0.986 472 D CA 1.183 55.325 54.000 0.236 0.000 0.847 472 D CB -0.197 40.745 40.800 0.236 0.000 0.942 472 D HN 0.420 nan 8.370 nan 0.000 0.467 473 D N -0.589 119.907 120.400 0.159 0.000 2.350 473 D HA -0.102 4.538 4.640 0.000 0.000 0.216 473 D C 1.196 177.365 176.300 -0.219 0.000 0.968 473 D CA 0.497 54.467 54.000 -0.050 0.000 0.894 473 D CB 0.026 40.737 40.800 -0.148 0.000 0.909 473 D HN 0.409 nan 8.370 nan 0.000 0.520 474 Y N -0.159 120.171 120.300 0.051 0.000 2.458 474 Y HA 0.067 4.617 4.550 0.000 0.000 0.254 474 Y C 1.059 176.990 175.900 0.050 0.000 1.120 474 Y CA -0.307 57.810 58.100 0.030 0.000 1.282 474 Y CB 0.617 39.086 38.460 0.015 0.000 1.109 474 Y HN -0.218 nan 8.280 nan 0.000 0.526 475 V N -2.474 117.548 119.914 0.181 0.000 3.096 475 V HA 0.751 4.871 4.120 0.000 0.000 0.319 475 V C -0.492 175.666 176.094 0.107 0.000 1.103 475 V CA -1.250 61.140 62.300 0.150 0.000 1.016 475 V CB 2.027 33.941 31.823 0.152 0.000 1.090 475 V HN -0.298 nan 8.190 nan 0.000 0.449 476 V N 2.663 122.642 119.914 0.109 0.000 2.656 476 V HA 0.557 4.677 4.120 0.000 0.000 0.307 476 V C -0.342 175.808 176.094 0.092 0.000 1.051 476 V CA -0.446 61.909 62.300 0.092 0.000 0.893 476 V CB 1.743 33.625 31.823 0.098 0.000 0.999 476 V HN 1.045 nan 8.190 nan 0.000 0.426 477 I N 3.324 123.944 120.570 0.083 0.000 2.440 477 I HA 0.606 4.776 4.170 0.000 0.000 0.294 477 I C -0.413 175.759 176.117 0.092 0.000 0.995 477 I CA 0.122 61.472 61.300 0.085 0.000 1.306 477 I CB 0.974 39.020 38.000 0.078 0.000 1.407 477 I HN 0.621 nan 8.210 nan 0.000 0.501 478 K N 5.611 126.069 120.400 0.097 0.000 2.413 478 K HA 0.303 4.623 4.320 0.000 0.000 0.257 478 K C -1.847 174.843 176.600 0.151 0.000 0.946 478 K CA -0.808 55.541 56.287 0.103 0.000 0.823 478 K CB 1.049 33.590 32.500 0.068 0.000 1.109 478 K HN 0.712 nan 8.250 nan 0.000 0.427 479 Y N 5.950 126.263 120.300 0.022 0.000 2.350 479 Y HA 0.338 4.889 4.550 0.000 0.000 0.340 479 Y C -1.424 174.484 175.900 0.013 0.000 1.006 479 Y CA -0.927 57.183 58.100 0.017 0.000 1.166 479 Y CB 0.565 39.035 38.460 0.017 0.000 1.168 479 Y HN 0.457 nan 8.280 nan 0.000 0.502 480 L N 7.634 128.836 121.223 -0.035 0.000 2.287 480 L HA 0.358 4.699 4.340 0.000 0.000 0.287 480 L C -0.642 176.059 176.870 -0.281 0.000 1.022 480 L CA -0.713 54.005 54.840 -0.203 0.000 0.814 480 L CB 1.208 43.234 42.059 -0.054 0.000 1.217 480 L HN 0.733 nan 8.230 nan 0.000 0.420 481 C N 5.189 124.215 119.300 -0.456 0.000 2.251 481 C HA 0.576 5.036 4.460 0.000 0.000 0.323 481 C C 0.158 175.079 174.990 -0.116 0.000 1.241 481 C CA -0.395 58.466 59.018 -0.262 0.000 1.601 481 C CB 0.251 27.783 27.740 -0.347 0.000 2.251 481 C HN 0.553 nan 8.230 nan 0.000 0.488 482 V N 6.992 126.882 119.914 -0.040 0.000 2.313 482 V HA 0.508 4.628 4.120 0.000 0.000 0.278 482 V C 0.840 176.928 176.094 -0.009 0.000 1.017 482 V CA -0.413 61.871 62.300 -0.026 0.000 0.823 482 V CB 0.868 32.683 31.823 -0.012 0.000 1.010 482 V HN 1.061 nan 8.190 nan 0.000 0.443 483 A N 4.809 127.620 122.820 -0.014 0.000 2.511 483 A HA 0.486 4.806 4.320 0.000 0.000 0.242 483 A C 0.172 177.754 177.584 -0.004 0.000 1.069 483 A CA 0.270 52.304 52.037 -0.006 0.000 0.763 483 A CB 0.649 19.643 19.000 -0.010 0.000 1.001 483 A HN 0.734 nan 8.150 nan 0.000 0.498 484 V N 0.000 119.915 119.914 0.001 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.301 62.300 0.001 0.000 1.235 484 V CB 0.000 31.826 31.823 0.005 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556