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 2j6x_1_F DATA FIRST_RESID 8 DATA SEQUENCE YNAPSEIKYI DVVNTYDLEE EASKVVPHGG FNYIAGASGD EWTKRANDRA DATA SEQUENCE WKHKLLYPRL AQDVEAPDTS TEILGHKIKA PFIMAPIAAH GLAHTTKEAG DATA SEQUENCE TARAVSEFGT IMSISAYSGA TFEEISEGLN GGPRWFQIYM AKDDQQNRDI DATA SEQUENCE LDEAKSDGAT AIILTADSTV SGNRDRDVKN KFVYPFGMPI VQXXXXXXXX DATA SEQUENCE XXSLNNIYGA SKQKISPRDI EEIAAHSGLP VFVKGIQHPE DADMAIKAGA DATA SEQUENCE SGIWVSNHGA RQLYEAPGSF DTLPAIAERV NKRVPIVFDS GVRRGEHVAK DATA SEQUENCE ALASGADVVA LGRPVLFGLA LGGWQGAYSV LDYFQKDLTR VMQLTGSQNV DATA SEQUENCE EDLKGLDLFD NPYGYEY 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 8 Y HA 0.000 nan 4.550 nan 0.000 0.201 8 Y C 0.000 175.956 175.900 0.093 0.000 1.272 8 Y CA 0.000 58.157 58.100 0.094 0.000 1.940 8 Y CB 0.000 38.545 38.460 0.142 0.000 1.050 9 N N 4.820 123.318 118.700 -0.337 0.000 3.194 9 N HA 0.523 5.263 4.740 -0.000 0.000 0.271 9 N C -0.525 174.857 175.510 -0.213 0.000 1.308 9 N CA 0.147 53.088 53.050 -0.182 0.000 1.042 9 N CB 0.479 38.886 38.487 -0.132 0.000 1.310 9 N HN 0.704 nan 8.380 nan 0.000 0.502 10 A N 2.450 125.241 122.820 -0.049 0.000 2.386 10 A HA 0.417 4.737 4.320 -0.000 0.000 0.248 10 A C -2.168 175.410 177.584 -0.010 0.000 1.082 10 A CA -0.903 51.178 52.037 0.073 0.000 0.789 10 A CB -0.003 19.185 19.000 0.314 0.000 1.025 10 A HN 0.371 nan 8.150 nan 0.000 0.490 11 P HA 0.081 nan 4.420 nan 0.000 0.267 11 P C 0.547 177.660 177.300 -0.313 0.000 1.200 11 P CA 0.555 63.636 63.100 -0.033 0.000 0.772 11 P CB 0.807 32.586 31.700 0.130 0.000 0.855 12 S N -0.654 114.912 115.700 -0.223 0.000 2.628 12 S HA 0.102 4.572 4.470 -0.000 0.000 0.246 12 S C 0.425 175.056 174.600 0.052 0.000 1.062 12 S CA -0.286 57.734 58.200 -0.300 0.000 1.028 12 S CB -0.349 62.774 63.200 -0.129 0.000 0.985 12 S HN 0.337 nan 8.310 nan 0.000 0.551 13 E N 2.245 122.533 120.200 0.146 0.000 2.529 13 E HA 0.120 4.470 4.350 -0.000 0.000 0.259 13 E C -0.334 176.411 176.600 0.242 0.000 0.966 13 E CA 0.387 56.883 56.400 0.159 0.000 0.937 13 E CB 0.582 30.338 29.700 0.093 0.000 0.923 13 E HN 0.660 nan 8.360 nan 0.000 0.468 14 I N 1.250 121.877 120.570 0.094 0.000 2.389 14 I HA 0.510 4.680 4.170 -0.000 0.000 0.288 14 I C -1.008 175.003 176.117 -0.176 0.000 0.999 14 I CA -0.653 60.609 61.300 -0.064 0.000 1.129 14 I CB 0.901 38.886 38.000 -0.025 0.000 1.288 14 I HN 0.434 nan 8.210 nan 0.000 0.444 15 K N 4.272 124.496 120.400 -0.292 0.000 2.587 15 K HA 0.431 4.751 4.320 -0.000 0.000 0.276 15 K C -1.913 174.475 176.600 -0.354 0.000 0.956 15 K CA -0.894 55.229 56.287 -0.274 0.000 0.857 15 K CB 0.834 33.275 32.500 -0.099 0.000 1.431 15 K HN 0.435 nan 8.250 nan 0.000 0.420 16 Y N 1.386 121.592 120.300 -0.157 0.000 2.326 16 Y HA 0.439 4.989 4.550 -0.000 0.000 0.333 16 Y C 0.717 176.575 175.900 -0.070 0.000 1.240 16 Y CA -0.385 57.642 58.100 -0.121 0.000 1.365 16 Y CB 0.817 39.220 38.460 -0.096 0.000 1.289 16 Y HN 0.559 nan 8.280 nan 0.000 0.548 17 I N -2.123 118.526 120.570 0.131 0.000 2.892 17 I HA 0.484 4.654 4.170 -0.000 0.000 0.306 17 I C -0.129 176.015 176.117 0.045 0.000 1.078 17 I CA -0.950 60.382 61.300 0.052 0.000 1.032 17 I CB 2.279 40.286 38.000 0.011 0.000 1.229 17 I HN 0.396 nan 8.210 nan 0.000 0.435 18 D N 1.719 122.125 120.400 0.009 0.000 2.084 18 D HA -0.010 4.630 4.640 -0.000 0.000 0.196 18 D C 0.553 176.839 176.300 -0.022 0.000 0.985 18 D CA 1.564 55.563 54.000 -0.001 0.000 0.826 18 D CB 0.067 40.860 40.800 -0.011 0.000 0.978 18 D HN 0.447 nan 8.370 nan 0.000 0.456 19 V N 0.803 120.670 119.914 -0.078 0.000 4.190 19 V HA -0.190 3.930 4.120 -0.000 0.000 0.437 19 V C 1.209 177.188 176.094 -0.191 0.000 0.680 19 V CA -0.045 62.133 62.300 -0.202 0.000 1.799 19 V CB -1.402 30.247 31.823 -0.290 0.000 2.188 19 V HN -0.034 nan 8.190 nan 0.000 0.488 20 V N 2.143 121.947 119.914 -0.183 0.000 2.672 20 V HA 0.181 4.301 4.120 -0.000 0.000 0.242 20 V C 0.807 176.829 176.094 -0.121 0.000 1.059 20 V CA 1.927 64.174 62.300 -0.089 0.000 1.081 20 V CB 0.387 32.176 31.823 -0.057 0.000 0.752 20 V HN 1.165 nan 8.190 nan 0.000 0.472 21 N N -3.010 115.545 118.700 -0.241 0.000 2.708 21 N HA 0.208 4.948 4.740 -0.000 0.000 0.257 21 N C -0.009 175.284 175.510 -0.362 0.000 1.373 21 N CA -0.057 52.841 53.050 -0.254 0.000 0.843 21 N CB 1.395 39.891 38.487 0.015 0.000 1.503 21 N HN -0.262 nan 8.380 nan 0.000 0.504 22 T N -0.733 113.610 114.554 -0.351 0.000 2.978 22 T HA 0.021 4.371 4.350 -0.000 0.000 0.262 22 T C 0.708 175.303 174.700 -0.174 0.000 1.063 22 T CA 1.050 62.941 62.100 -0.348 0.000 1.140 22 T CB -0.519 68.123 68.868 -0.375 0.000 0.886 22 T HN 0.477 nan 8.240 nan 0.000 0.470 23 Y N 1.807 122.073 120.300 -0.056 0.000 2.224 23 Y HA -0.118 4.432 4.550 -0.000 0.000 0.289 23 Y C 2.457 178.331 175.900 -0.044 0.000 1.146 23 Y CA 0.729 58.825 58.100 -0.008 0.000 1.182 23 Y CB -0.340 38.121 38.460 0.003 0.000 0.983 23 Y HN 0.157 nan 8.280 nan 0.000 0.524 24 D N 0.336 120.783 120.400 0.078 0.000 2.221 24 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 24 D C 1.793 178.056 176.300 -0.062 0.000 0.982 24 D CA 1.246 55.243 54.000 -0.005 0.000 0.857 24 D CB -0.231 40.550 40.800 -0.032 0.000 0.934 24 D HN 0.403 nan 8.370 nan 0.000 0.475 25 L N -0.378 120.802 121.223 -0.072 0.000 2.552 25 L HA 0.182 4.522 4.340 -0.000 0.000 0.227 25 L C 1.894 178.610 176.870 -0.258 0.000 1.146 25 L CA 0.727 55.514 54.840 -0.089 0.000 0.858 25 L CB -0.759 41.292 42.059 -0.014 0.000 0.969 25 L HN -0.133 nan 8.230 nan 0.000 0.451 26 E N 0.767 120.749 120.200 -0.364 0.000 2.028 26 E HA -0.235 4.115 4.350 -0.000 0.000 0.190 26 E C 2.115 178.497 176.600 -0.363 0.000 0.984 26 E CA 0.945 56.886 56.400 -0.765 0.000 0.800 26 E CB -0.058 29.411 29.700 -0.385 0.000 0.758 26 E HN 0.590 nan 8.360 nan 0.000 0.448 27 E N 0.417 120.500 120.200 -0.194 0.000 2.204 27 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 27 E C 1.767 178.237 176.600 -0.216 0.000 0.989 27 E CA 0.835 57.131 56.400 -0.172 0.000 0.824 27 E CB 0.124 29.767 29.700 -0.095 0.000 0.756 27 E HN 0.372 nan 8.360 nan 0.000 0.477 28 E N 0.140 120.231 120.200 -0.180 0.000 2.047 28 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 28 E C 2.033 178.533 176.600 -0.167 0.000 0.987 28 E CA 0.972 57.285 56.400 -0.145 0.000 0.799 28 E CB -0.112 29.530 29.700 -0.096 0.000 0.752 28 E HN 0.242 nan 8.360 nan 0.000 0.449 29 A N 0.873 123.585 122.820 -0.179 0.000 1.972 29 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 29 A C 2.283 179.654 177.584 -0.356 0.000 1.169 29 A CA 1.392 53.370 52.037 -0.098 0.000 0.635 29 A CB -0.476 18.591 19.000 0.112 0.000 0.810 29 A HN 0.102 nan 8.150 nan 0.000 0.446 30 S N -0.298 114.934 115.700 -0.780 0.000 2.387 30 S HA -0.165 4.305 4.470 -0.000 0.000 0.230 30 S C 1.950 176.215 174.600 -0.558 0.000 1.035 30 S CA 1.603 59.088 58.200 -1.192 0.000 1.014 30 S CB -0.166 62.533 63.200 -0.835 0.000 0.836 30 S HN 0.521 nan 8.310 nan 0.000 0.466 31 K N 0.842 121.046 120.400 -0.327 0.000 2.288 31 K HA 0.057 4.377 4.320 -0.000 0.000 0.201 31 K C 1.926 178.447 176.600 -0.132 0.000 1.048 31 K CA 0.968 57.143 56.287 -0.187 0.000 0.956 31 K CB -0.469 31.952 32.500 -0.133 0.000 0.746 31 K HN 0.566 nan 8.250 nan 0.000 0.461 32 V N -2.994 116.849 119.914 -0.119 0.000 3.455 32 V HA 0.196 4.316 4.120 -0.000 0.000 0.250 32 V C 0.878 176.961 176.094 -0.019 0.000 1.230 32 V CA -0.361 61.911 62.300 -0.048 0.000 1.105 32 V CB 0.258 32.079 31.823 -0.003 0.000 0.850 32 V HN -0.213 nan 8.190 nan 0.000 0.461 33 V N 3.085 122.995 119.914 -0.006 0.000 2.498 33 V HA 0.386 4.506 4.120 -0.000 0.000 0.279 33 V C -2.085 174.038 176.094 0.047 0.000 1.048 33 V CA -1.517 60.843 62.300 0.100 0.000 0.967 33 V CB 0.546 32.567 31.823 0.330 0.000 0.988 33 V HN 0.335 nan 8.190 nan 0.000 0.473 34 P HA -0.051 nan 4.420 nan 0.000 0.264 34 P C 0.751 178.154 177.300 0.171 0.000 1.179 34 P CA 0.476 63.558 63.100 -0.030 0.000 0.763 34 P CB 0.373 31.846 31.700 -0.378 0.000 0.806 35 H N 2.835 121.962 119.070 0.094 0.000 2.289 35 H HA -0.200 4.356 4.556 -0.000 0.000 0.296 35 H C 2.043 177.508 175.328 0.228 0.000 1.091 35 H CA 2.774 58.913 56.048 0.151 0.000 1.274 35 H CB -0.659 29.159 29.762 0.093 0.000 1.364 35 H HN 0.538 nan 8.280 nan 0.000 0.490 36 G N -0.926 108.055 108.800 0.302 0.000 2.433 36 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 36 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 36 G C 2.000 176.964 174.900 0.107 0.000 1.186 36 G CA 0.627 45.901 45.100 0.290 0.000 0.779 36 G HN 0.616 nan 8.290 nan 0.000 0.543 37 G N 0.319 109.345 108.800 0.376 0.000 2.469 37 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.220 37 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.220 37 G C 1.632 176.646 174.900 0.190 0.000 1.136 37 G CA 1.039 46.310 45.100 0.286 0.000 0.759 37 G HN 0.359 nan 8.290 nan 0.000 0.562 38 F N 2.058 122.067 119.950 0.099 0.000 2.075 38 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 38 F C 2.399 178.191 175.800 -0.013 0.000 1.113 38 F CA 1.760 59.799 58.000 0.065 0.000 1.218 38 F CB -0.214 38.796 39.000 0.016 0.000 0.984 38 F HN 0.072 nan 8.300 nan 0.000 0.472 39 N N -0.795 117.792 118.700 -0.187 0.000 2.396 39 N HA -0.209 4.531 4.740 -0.000 0.000 0.180 39 N C 1.755 177.077 175.510 -0.313 0.000 1.028 39 N CA 1.034 53.908 53.050 -0.293 0.000 0.893 39 N CB -0.578 37.770 38.487 -0.231 0.000 0.967 39 N HN 0.472 nan 8.380 nan 0.000 0.440 40 Y N 1.853 121.847 120.300 -0.510 0.000 2.145 40 Y HA -0.086 4.464 4.550 -0.000 0.000 0.286 40 Y C 2.152 177.822 175.900 -0.383 0.000 1.145 40 Y CA 1.365 59.097 58.100 -0.613 0.000 1.148 40 Y CB -0.299 37.454 38.460 -1.178 0.000 0.981 40 Y HN -0.095 nan 8.280 nan 0.000 0.507 41 I N 0.135 120.522 120.570 -0.304 0.000 2.252 41 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 41 I C 2.602 178.506 176.117 -0.355 0.000 1.102 41 I CA 1.296 62.406 61.300 -0.318 0.000 1.385 41 I CB -0.624 37.286 38.000 -0.150 0.000 1.064 41 I HN 0.327 nan 8.210 nan 0.000 0.414 42 A N 0.637 123.225 122.820 -0.386 0.000 1.975 42 A HA 0.194 4.514 4.320 -0.000 0.000 0.215 42 A C 1.673 179.145 177.584 -0.188 0.000 1.170 42 A CA 0.856 52.746 52.037 -0.244 0.000 0.656 42 A CB -1.091 17.618 19.000 -0.485 0.000 0.821 42 A HN 0.377 nan 8.150 nan 0.000 0.449 43 G N -1.368 107.290 108.800 -0.237 0.000 2.667 43 G HA2 0.523 4.483 3.960 -0.000 0.000 0.250 43 G HA3 0.523 4.483 3.960 -0.000 0.000 0.250 43 G C -0.099 174.725 174.900 -0.126 0.000 1.212 43 G CA 0.370 45.375 45.100 -0.158 0.000 0.874 43 G HN 1.092 nan 8.290 nan 0.000 0.561 44 A N -0.491 122.291 122.820 -0.064 0.000 2.533 44 A HA 0.798 5.118 4.320 -0.000 0.000 0.293 44 A C 0.103 177.689 177.584 0.003 0.000 1.228 44 A CA -0.461 51.565 52.037 -0.017 0.000 0.689 44 A CB 0.705 19.722 19.000 0.028 0.000 1.303 44 A HN 0.902 nan 8.150 nan 0.000 0.444 45 S N -0.212 115.521 115.700 0.055 0.000 2.585 45 S HA 0.503 4.973 4.470 -0.000 0.000 0.273 45 S C 1.112 175.666 174.600 -0.076 0.000 1.339 45 S CA 0.777 58.999 58.200 0.037 0.000 1.028 45 S CB 0.586 63.870 63.200 0.141 0.000 0.906 45 S HN 2.383 nan 8.310 nan 0.000 0.528 46 G N 2.820 111.422 108.800 -0.329 0.000 2.596 46 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.295 46 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.295 46 G C 0.105 174.804 174.900 -0.335 0.000 1.240 46 G CA 0.577 45.252 45.100 -0.707 0.000 0.985 46 G HN 0.873 nan 8.290 nan 0.000 0.555 47 D N 1.163 121.396 120.400 -0.278 0.000 2.319 47 D HA 0.199 4.839 4.640 -0.000 0.000 0.230 47 D C 0.951 177.339 176.300 0.147 0.000 1.094 47 D CA 0.894 54.896 54.000 0.003 0.000 0.856 47 D CB -0.381 40.463 40.800 0.072 0.000 0.915 47 D HN 0.953 nan 8.370 nan 0.000 0.517 48 E N -2.339 117.980 120.200 0.199 0.000 3.181 48 E HA -0.267 4.083 4.350 -0.000 0.000 0.293 48 E C 0.148 176.918 176.600 0.284 0.000 0.936 48 E CA 0.555 57.087 56.400 0.221 0.000 0.975 48 E CB -2.268 27.492 29.700 0.101 0.000 1.496 48 E HN 0.569 nan 8.360 nan 0.000 0.429 49 W N 1.346 122.814 121.300 0.279 0.000 2.358 49 W HA -0.152 4.508 4.660 -0.000 0.000 0.303 49 W C 2.330 178.884 176.519 0.058 0.000 1.208 49 W CA 2.268 59.703 57.345 0.150 0.000 1.274 49 W CB -0.155 29.391 29.460 0.143 0.000 1.138 49 W HN 0.052 nan 8.180 nan 0.000 0.515 50 T N 0.362 115.064 114.554 0.248 0.000 2.867 50 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 50 T C 1.752 176.404 174.700 -0.080 0.000 1.057 50 T CA 1.635 63.744 62.100 0.016 0.000 1.136 50 T CB -0.285 68.657 68.868 0.124 0.000 0.874 50 T HN 0.161 nan 8.240 nan 0.000 0.466 51 K N 0.998 121.400 120.400 0.004 0.000 2.057 51 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 51 K C 2.512 179.062 176.600 -0.083 0.000 1.049 51 K CA 1.061 57.339 56.287 -0.016 0.000 0.931 51 K CB -0.063 32.454 32.500 0.028 0.000 0.714 51 K HN 0.121 nan 8.250 nan 0.000 0.440 52 R N 0.102 120.511 120.500 -0.152 0.000 2.091 52 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 52 R C 2.129 178.216 176.300 -0.355 0.000 1.136 52 R CA 1.431 57.387 56.100 -0.241 0.000 0.959 52 R CB -0.303 29.823 30.300 -0.289 0.000 0.856 52 R HN 0.282 nan 8.270 nan 0.000 0.437 53 A N 1.221 123.719 122.820 -0.536 0.000 1.908 53 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 53 A C 1.765 179.162 177.584 -0.312 0.000 1.181 53 A CA 1.738 53.457 52.037 -0.531 0.000 0.627 53 A CB -0.643 17.915 19.000 -0.736 0.000 0.818 53 A HN 0.403 nan 8.150 nan 0.000 0.445 54 N N 0.103 118.677 118.700 -0.211 0.000 2.094 54 N HA -0.178 4.562 4.740 -0.000 0.000 0.191 54 N C 1.464 176.887 175.510 -0.144 0.000 1.023 54 N CA 1.844 54.809 53.050 -0.141 0.000 0.857 54 N CB -0.456 38.012 38.487 -0.031 0.000 1.013 54 N HN 0.671 nan 8.380 nan 0.000 0.426 55 D N 0.128 120.500 120.400 -0.047 0.000 2.137 55 D HA 0.053 4.693 4.640 -0.000 0.000 0.202 55 D C 1.771 178.107 176.300 0.060 0.000 0.970 55 D CA 0.763 54.840 54.000 0.128 0.000 0.837 55 D CB 0.191 41.080 40.800 0.149 0.000 0.981 55 D HN 0.112 nan 8.370 nan 0.000 0.475 56 R N -0.050 120.368 120.500 -0.138 0.000 2.189 56 R HA 0.135 4.475 4.340 -0.000 0.000 0.218 56 R C 2.175 178.320 176.300 -0.259 0.000 1.074 56 R CA 0.705 56.737 56.100 -0.113 0.000 0.991 56 R CB -0.096 30.073 30.300 -0.218 0.000 0.883 56 R HN 0.125 nan 8.270 nan 0.000 0.457 57 A N 0.605 123.118 122.820 -0.511 0.000 1.978 57 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 57 A C 1.458 178.739 177.584 -0.504 0.000 1.170 57 A CA 0.986 52.513 52.037 -0.851 0.000 0.636 57 A CB -0.803 17.880 19.000 -0.528 0.000 0.810 57 A HN 0.475 nan 8.150 nan 0.000 0.448 58 W N 0.238 121.421 121.300 -0.194 0.000 2.421 58 W HA -0.068 4.592 4.660 -0.000 0.000 0.270 58 W C 1.700 178.225 176.519 0.011 0.000 1.233 58 W CA 0.937 58.158 57.345 -0.206 0.000 1.226 58 W CB 0.152 29.371 29.460 -0.402 0.000 1.121 58 W HN 0.131 nan 8.180 nan 0.000 0.579 59 K N -0.334 120.206 120.400 0.233 0.000 2.404 59 K HA 0.067 4.387 4.320 -0.000 0.000 0.194 59 K C 0.880 177.713 176.600 0.388 0.000 1.023 59 K CA 0.568 57.026 56.287 0.287 0.000 1.094 59 K CB -0.408 32.269 32.500 0.294 0.000 0.841 59 K HN 0.498 nan 8.250 nan 0.000 0.523 60 H N 0.299 119.528 119.070 0.265 0.000 2.482 60 H HA 0.095 4.651 4.556 -0.000 0.000 0.286 60 H C 0.012 175.474 175.328 0.223 0.000 1.017 60 H CA 0.415 56.589 56.048 0.210 0.000 1.322 60 H CB 0.540 30.384 29.762 0.136 0.000 1.426 60 H HN -0.189 nan 8.280 nan 0.000 0.546 61 K N 1.576 122.227 120.400 0.419 0.000 2.502 61 K HA 0.357 4.676 4.320 -0.000 0.000 0.254 61 K C -1.087 175.690 176.600 0.295 0.000 0.947 61 K CA -0.233 56.262 56.287 0.346 0.000 0.834 61 K CB 2.627 35.367 32.500 0.400 0.000 1.112 61 K HN 0.075 nan 8.250 nan 0.000 0.427 62 L N 3.402 124.769 121.223 0.241 0.000 2.325 62 L HA 0.508 4.848 4.340 -0.000 0.000 0.278 62 L C 0.305 177.173 176.870 -0.003 0.000 1.023 62 L CA -1.159 53.749 54.840 0.112 0.000 0.811 62 L CB 1.051 43.139 42.059 0.049 0.000 1.249 62 L HN 0.313 nan 8.230 nan 0.000 0.431 63 L N 2.092 123.308 121.223 -0.013 0.000 2.426 63 L HA 0.161 4.501 4.340 -0.000 0.000 0.271 63 L C -0.795 176.033 176.870 -0.069 0.000 1.169 63 L CA -0.089 54.750 54.840 -0.002 0.000 0.836 63 L CB 0.198 42.270 42.059 0.022 0.000 1.112 63 L HN 0.387 nan 8.230 nan 0.000 0.465 64 Y N 3.576 123.916 120.300 0.067 0.000 2.350 64 Y HA 0.251 4.801 4.550 -0.000 0.000 0.340 64 Y C -1.694 174.216 175.900 0.018 0.000 1.006 64 Y CA -2.489 55.636 58.100 0.042 0.000 1.166 64 Y CB 0.464 38.969 38.460 0.075 0.000 1.168 64 Y HN 0.372 nan 8.280 nan 0.000 0.502 65 P HA 0.192 nan 4.420 nan 0.000 0.271 65 P C -0.626 176.730 177.300 0.094 0.000 1.216 65 P CA -0.186 62.968 63.100 0.091 0.000 0.771 65 P CB 0.924 32.652 31.700 0.048 0.000 0.864 66 R N 2.534 123.069 120.500 0.058 0.000 2.628 66 R HA 0.578 4.918 4.340 -0.000 0.000 0.288 66 R C -0.278 176.033 176.300 0.018 0.000 0.980 66 R CA -0.923 55.198 56.100 0.034 0.000 0.891 66 R CB 1.489 31.809 30.300 0.033 0.000 1.188 66 R HN 0.410 nan 8.270 nan 0.000 0.450 67 L N -1.343 119.885 121.223 0.009 0.000 2.301 67 L HA 0.866 5.206 4.340 -0.000 0.000 0.264 67 L C 0.585 177.456 176.870 0.001 0.000 1.016 67 L CA -1.035 53.808 54.840 0.005 0.000 0.821 67 L CB 1.135 43.196 42.059 0.004 0.000 1.346 67 L HN 0.722 nan 8.230 nan 0.000 0.429 68 A N 0.310 123.130 122.820 0.001 0.000 2.687 68 A HA -0.177 4.143 4.320 -0.000 0.000 0.299 68 A C 1.208 178.792 177.584 -0.000 0.000 1.497 68 A CA 1.031 53.068 52.037 -0.001 0.000 0.751 68 A CB -1.837 17.162 19.000 -0.002 0.000 1.048 68 A HN 0.766 nan 8.150 nan 0.000 0.464 69 Q N -0.360 119.441 119.800 0.002 0.000 2.425 69 Q HA 0.066 4.406 4.340 -0.000 0.000 0.204 69 Q C 0.623 176.624 176.000 0.003 0.000 0.933 69 Q CA 1.027 56.831 55.803 0.003 0.000 0.939 69 Q CB 0.037 28.779 28.738 0.007 0.000 1.044 69 Q HN 0.929 nan 8.270 nan 0.000 0.513 70 D N -0.606 119.795 120.400 0.001 0.000 2.746 70 D HA -0.139 4.501 4.640 -0.000 0.000 0.236 70 D C -1.337 174.964 176.300 0.001 0.000 1.129 70 D CA 0.228 54.228 54.000 0.001 0.000 0.691 70 D CB -1.006 39.794 40.800 0.001 0.000 1.077 70 D HN -0.035 nan 8.370 nan 0.000 0.432 71 V N 0.746 120.660 119.914 0.001 0.000 2.628 71 V HA 0.731 4.851 4.120 -0.000 0.000 0.306 71 V C 0.246 176.339 176.094 -0.001 0.000 1.045 71 V CA -0.499 61.802 62.300 0.001 0.000 0.905 71 V CB 2.079 33.904 31.823 0.003 0.000 0.997 71 V HN 0.247 nan 8.190 nan 0.000 0.436 72 E N 2.762 122.961 120.200 -0.002 0.000 2.372 72 E HA 0.611 4.961 4.350 -0.000 0.000 0.279 72 E C -0.362 176.236 176.600 -0.005 0.000 0.946 72 E CA -0.285 56.113 56.400 -0.004 0.000 0.769 72 E CB 1.997 31.695 29.700 -0.004 0.000 1.230 72 E HN 1.306 nan 8.360 nan 0.000 0.442 73 A N 3.022 125.838 122.820 -0.006 0.000 2.203 73 A HA -0.128 4.192 4.320 -0.000 0.000 0.279 73 A C -2.396 175.183 177.584 -0.007 0.000 1.396 73 A CA 0.313 52.346 52.037 -0.007 0.000 0.747 73 A CB -1.749 17.247 19.000 -0.007 0.000 1.151 73 A HN 0.356 nan 8.150 nan 0.000 0.345 74 P HA 0.274 nan 4.420 nan 0.000 0.267 74 P C -0.142 177.153 177.300 -0.008 0.000 1.201 74 P CA 0.279 63.376 63.100 -0.005 0.000 0.775 74 P CB 0.487 32.184 31.700 -0.004 0.000 0.854 75 D N 0.422 120.818 120.400 -0.008 0.000 2.440 75 D HA 0.159 4.799 4.640 -0.000 0.000 0.239 75 D C 0.655 176.945 176.300 -0.017 0.000 1.084 75 D CA -0.450 53.541 54.000 -0.015 0.000 0.843 75 D CB 0.397 41.188 40.800 -0.015 0.000 1.097 75 D HN 0.239 nan 8.370 nan 0.000 0.531 76 T N 0.054 114.594 114.554 -0.023 0.000 3.129 76 T HA 0.084 4.434 4.350 -0.000 0.000 0.251 76 T C 0.875 175.540 174.700 -0.059 0.000 1.117 76 T CA -0.167 61.917 62.100 -0.027 0.000 1.034 76 T CB -0.369 68.491 68.868 -0.013 0.000 0.968 76 T HN 0.283 nan 8.240 nan 0.000 0.526 77 S N 0.565 116.229 115.700 -0.059 0.000 2.580 77 S HA 0.567 5.037 4.470 -0.000 0.000 0.274 77 S C -0.093 174.478 174.600 -0.048 0.000 1.329 77 S CA -0.494 57.663 58.200 -0.073 0.000 1.036 77 S CB 1.378 64.537 63.200 -0.068 0.000 0.919 77 S HN 0.389 nan 8.310 nan 0.000 0.515 78 T N 0.527 115.052 114.554 -0.049 0.000 2.731 78 T HA 0.496 4.846 4.350 -0.000 0.000 0.300 78 T C -2.129 172.571 174.700 0.000 0.000 1.283 78 T CA -0.791 61.298 62.100 -0.017 0.000 1.005 78 T CB 1.506 70.368 68.868 -0.011 0.000 1.420 78 T HN 0.918 nan 8.240 nan 0.000 0.503 79 E N 1.110 121.329 120.200 0.031 0.000 2.288 79 E HA 0.726 5.076 4.350 -0.000 0.000 0.268 79 E C -1.241 175.424 176.600 0.109 0.000 0.885 79 E CA -1.017 55.424 56.400 0.068 0.000 0.767 79 E CB 2.575 32.313 29.700 0.064 0.000 1.220 79 E HN 0.570 nan 8.360 nan 0.000 0.427 80 I N 3.442 124.120 120.570 0.181 0.000 2.478 80 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 80 I C -0.532 175.823 176.117 0.397 0.000 1.042 80 I CA -0.892 60.570 61.300 0.270 0.000 1.067 80 I CB 0.794 38.974 38.000 0.299 0.000 1.233 80 I HN 0.805 nan 8.210 nan 0.000 0.431 81 L N 8.148 129.552 121.223 0.302 0.000 3.739 81 L HA -0.289 4.051 4.340 -0.000 0.000 0.442 81 L C 1.122 178.096 176.870 0.173 0.000 1.241 81 L CA 0.846 55.842 54.840 0.259 0.000 0.819 81 L CB -1.907 40.363 42.059 0.352 0.000 1.679 81 L HN 1.161 nan 8.230 nan 0.000 0.889 82 G N -1.876 106.974 108.800 0.084 0.000 2.299 82 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.237 82 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.237 82 G C 0.255 175.113 174.900 -0.070 0.000 1.027 82 G CA 0.286 45.364 45.100 -0.037 0.000 0.619 82 G HN 0.579 nan 8.290 nan 0.000 0.513 83 H N 2.125 121.272 119.070 0.128 0.000 2.944 83 H HA 0.270 4.826 4.556 -0.000 0.000 0.278 83 H C 0.224 175.574 175.328 0.037 0.000 1.083 83 H CA 0.062 56.161 56.048 0.085 0.000 1.479 83 H CB 0.755 30.574 29.762 0.094 0.000 1.486 83 H HN 0.129 nan 8.280 nan 0.000 0.493 84 K N 5.248 125.712 120.400 0.107 0.000 2.338 84 K HA 0.188 4.508 4.320 -0.000 0.000 0.290 84 K C 0.694 177.304 176.600 0.016 0.000 1.069 84 K CA -0.130 56.184 56.287 0.045 0.000 0.941 84 K CB 0.242 32.752 32.500 0.017 0.000 1.023 84 K HN 0.587 nan 8.250 nan 0.000 0.477 85 I N -1.238 119.321 120.570 -0.019 0.000 2.693 85 I HA 0.326 4.496 4.170 -0.000 0.000 0.303 85 I C 0.709 176.749 176.117 -0.128 0.000 1.025 85 I CA -0.973 60.280 61.300 -0.077 0.000 1.086 85 I CB 1.970 39.909 38.000 -0.102 0.000 1.268 85 I HN 0.256 nan 8.210 nan 0.000 0.440 86 K N 2.708 122.990 120.400 -0.197 0.000 2.296 86 K HA 0.300 4.620 4.320 -0.000 0.000 0.200 86 K C 0.410 176.866 176.600 -0.241 0.000 1.048 86 K CA 0.837 56.959 56.287 -0.275 0.000 0.966 86 K CB 0.161 32.343 32.500 -0.529 0.000 0.754 86 K HN 0.801 nan 8.250 nan 0.000 0.466 87 A N 1.014 123.668 122.820 -0.278 0.000 2.572 87 A HA 0.366 4.686 4.320 -0.000 0.000 0.295 87 A C -2.675 174.611 177.584 -0.497 0.000 1.072 87 A CA -1.331 50.463 52.037 -0.404 0.000 0.691 87 A CB 1.184 19.807 19.000 -0.629 0.000 1.291 87 A HN -0.163 nan 8.150 nan 0.000 0.404 88 P HA 0.282 nan 4.420 nan 0.000 0.228 88 P C -1.045 176.217 177.300 -0.063 0.000 1.748 88 P CA 0.481 63.498 63.100 -0.137 0.000 0.909 88 P CB -1.286 30.403 31.700 -0.019 0.000 1.882 89 F N -0.052 119.860 119.950 -0.063 0.000 2.626 89 F HA 0.735 5.262 4.527 -0.000 0.000 0.311 89 F C -0.489 175.205 175.800 -0.177 0.000 1.088 89 F CA -2.223 55.688 58.000 -0.150 0.000 0.949 89 F CB 0.873 39.740 39.000 -0.220 0.000 1.322 89 F HN -0.132 nan 8.300 nan 0.000 0.461 90 I N -0.300 120.286 120.570 0.027 0.000 3.206 90 I HA 0.742 4.912 4.170 -0.000 0.000 0.313 90 I C -0.990 175.097 176.117 -0.051 0.000 1.103 90 I CA -1.483 59.760 61.300 -0.095 0.000 0.985 90 I CB 2.082 39.888 38.000 -0.322 0.000 1.240 90 I HN 0.750 nan 8.210 nan 0.000 0.464 91 M N 3.152 122.720 119.600 -0.053 0.000 2.146 91 M HA 0.611 5.091 4.480 -0.000 0.000 0.357 91 M C -0.117 176.220 176.300 0.061 0.000 1.261 91 M CA -0.037 55.253 55.300 -0.017 0.000 1.106 91 M CB 0.883 33.489 32.600 0.010 0.000 1.612 91 M HN 0.785 nan 8.290 nan 0.000 0.470 92 A N 7.452 130.312 122.820 0.065 0.000 2.445 92 A HA 0.574 4.894 4.320 -0.000 0.000 0.242 92 A C -2.395 175.223 177.584 0.056 0.000 1.075 92 A CA -1.148 50.980 52.037 0.151 0.000 0.777 92 A CB -0.781 18.258 19.000 0.065 0.000 1.013 92 A HN 0.683 nan 8.150 nan 0.000 0.493 93 P HA 0.411 nan 4.420 nan 0.000 0.276 93 P C -0.988 176.278 177.300 -0.057 0.000 1.253 93 P CA 0.441 63.492 63.100 -0.082 0.000 0.766 93 P CB 0.528 32.073 31.700 -0.258 0.000 0.845 94 I N 2.319 122.948 120.570 0.098 0.000 2.619 94 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 94 I C 0.210 176.512 176.117 0.309 0.000 1.100 94 I CA -0.975 60.418 61.300 0.155 0.000 1.043 94 I CB 2.251 40.298 38.000 0.079 0.000 1.239 94 I HN 0.291 nan 8.210 nan 0.000 0.420 95 A N 4.729 127.744 122.820 0.326 0.000 2.332 95 A HA 0.698 5.018 4.320 -0.000 0.000 0.258 95 A C 0.776 178.647 177.584 0.478 0.000 1.087 95 A CA 0.225 52.495 52.037 0.388 0.000 0.802 95 A CB 0.262 19.544 19.000 0.470 0.000 1.042 95 A HN 1.749 nan 8.150 nan 0.000 0.489 96 A N 0.735 123.803 122.820 0.415 0.000 2.251 96 A HA -0.184 4.136 4.320 -0.000 0.000 0.283 96 A C 0.670 178.571 177.584 0.528 0.000 1.415 96 A CA 1.269 53.619 52.037 0.521 0.000 0.742 96 A CB -2.593 16.766 19.000 0.598 0.000 1.151 96 A HN 1.060 nan 8.150 nan 0.000 0.354 97 H N -0.014 119.181 119.070 0.207 0.000 2.521 97 H HA -0.020 4.536 4.556 -0.000 0.000 0.286 97 H C 2.250 177.690 175.328 0.187 0.000 1.034 97 H CA 0.643 56.793 56.048 0.171 0.000 1.278 97 H CB 0.254 30.083 29.762 0.111 0.000 1.386 97 H HN 0.782 nan 8.280 nan 0.000 0.567 98 G N 0.653 109.596 108.800 0.238 0.000 2.559 98 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.216 98 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.216 98 G C 1.581 176.701 174.900 0.368 0.000 1.126 98 G CA 0.097 45.246 45.100 0.081 0.000 0.778 98 G HN 0.274 nan 8.290 nan 0.000 0.543 99 L N 0.020 121.519 121.223 0.460 0.000 2.217 99 L HA 0.067 4.407 4.340 -0.000 0.000 0.211 99 L C 3.178 180.352 176.870 0.506 0.000 1.107 99 L CA 0.868 55.934 54.840 0.376 0.000 0.783 99 L CB -0.158 42.045 42.059 0.240 0.000 0.919 99 L HN 0.293 nan 8.230 nan 0.000 0.442 100 A N -2.065 120.984 122.820 0.381 0.000 1.887 100 A HA -0.006 4.314 4.320 -0.000 0.000 0.212 100 A C 0.994 178.798 177.584 0.367 0.000 1.198 100 A CA 0.761 53.003 52.037 0.341 0.000 0.628 100 A CB -0.004 19.134 19.000 0.230 0.000 0.847 100 A HN 0.381 nan 8.150 nan 0.000 0.449 101 H N -1.760 117.440 119.070 0.216 0.000 3.046 101 H HA 0.215 4.771 4.556 -0.000 0.000 0.361 101 H C 0.947 176.364 175.328 0.149 0.000 1.235 101 H CA 0.426 56.574 56.048 0.167 0.000 1.146 101 H CB 1.617 31.460 29.762 0.135 0.000 1.859 101 H HN 0.211 nan 8.280 nan 0.000 0.548 102 T N -0.961 113.444 114.554 -0.248 0.000 2.915 102 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 102 T C 1.621 176.348 174.700 0.044 0.000 1.071 102 T CA 1.741 63.788 62.100 -0.087 0.000 1.132 102 T CB -0.561 68.222 68.868 -0.142 0.000 0.878 102 T HN 0.614 nan 8.240 nan 0.000 0.479 103 T N 0.177 114.878 114.554 0.246 0.000 3.085 103 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 103 T C 1.110 175.921 174.700 0.184 0.000 1.127 103 T CA 0.493 62.743 62.100 0.250 0.000 1.103 103 T CB -0.565 68.516 68.868 0.356 0.000 0.921 103 T HN 0.894 nan 8.240 nan 0.000 0.510 104 K N 0.752 121.279 120.400 0.212 0.000 2.020 104 K HA -0.389 3.931 4.320 -0.000 0.000 0.142 104 K C 0.765 177.478 176.600 0.188 0.000 1.458 104 K CA 1.694 58.086 56.287 0.176 0.000 0.544 104 K CB -1.432 31.077 32.500 0.014 0.000 0.566 104 K HN 0.178 nan 8.250 nan 0.000 0.927 105 E N 0.555 120.774 120.200 0.032 0.000 2.130 105 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 105 E C 2.157 178.765 176.600 0.012 0.000 0.998 105 E CA 2.154 58.483 56.400 -0.117 0.000 0.806 105 E CB -0.351 29.176 29.700 -0.288 0.000 0.738 105 E HN 0.531 nan 8.360 nan 0.000 0.459 106 A N 0.492 123.328 122.820 0.025 0.000 1.933 106 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 106 A C 2.410 180.038 177.584 0.072 0.000 1.175 106 A CA 1.706 53.764 52.037 0.035 0.000 0.628 106 A CB -1.191 17.820 19.000 0.019 0.000 0.814 106 A HN 0.358 nan 8.150 nan 0.000 0.444 107 G N -0.617 108.261 108.800 0.130 0.000 2.480 107 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 107 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 107 G C 1.608 176.637 174.900 0.215 0.000 1.200 107 G CA 1.772 46.987 45.100 0.191 0.000 0.782 107 G HN 0.426 nan 8.290 nan 0.000 0.554 108 T N 1.911 116.599 114.554 0.222 0.000 2.665 108 T HA -0.085 4.265 4.350 -0.000 0.000 0.268 108 T C 2.782 177.591 174.700 0.182 0.000 1.035 108 T CA 1.861 64.097 62.100 0.226 0.000 1.151 108 T CB -0.539 68.537 68.868 0.347 0.000 0.862 108 T HN 0.418 nan 8.240 nan 0.000 0.438 109 A N 1.810 124.710 122.820 0.132 0.000 1.865 109 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 109 A C 2.290 179.922 177.584 0.081 0.000 1.191 109 A CA 2.254 54.343 52.037 0.088 0.000 0.623 109 A CB -0.753 18.278 19.000 0.051 0.000 0.826 109 A HN 0.473 nan 8.150 nan 0.000 0.444 110 R N -0.304 120.223 120.500 0.046 0.000 2.094 110 R HA -0.169 4.171 4.340 -0.000 0.000 0.239 110 R C 2.256 178.629 176.300 0.121 0.000 1.137 110 R CA 2.026 58.098 56.100 -0.046 0.000 0.943 110 R CB -0.557 29.577 30.300 -0.277 0.000 0.850 110 R HN 0.432 nan 8.270 nan 0.000 0.433 111 A N -0.051 122.974 122.820 0.341 0.000 1.902 111 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 111 A C 2.315 180.169 177.584 0.451 0.000 1.181 111 A CA 1.738 54.110 52.037 0.558 0.000 0.623 111 A CB -0.559 18.734 19.000 0.488 0.000 0.818 111 A HN 0.250 nan 8.150 nan 0.000 0.443 112 V N 0.829 120.908 119.914 0.275 0.000 2.307 112 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 112 V C 3.020 179.248 176.094 0.223 0.000 1.045 112 V CA 2.383 64.815 62.300 0.220 0.000 1.024 112 V CB -0.911 30.985 31.823 0.121 0.000 0.651 112 V HN 0.816 nan 8.190 nan 0.000 0.449 113 S N -0.206 115.589 115.700 0.159 0.000 2.387 113 S HA -0.226 4.244 4.470 -0.000 0.000 0.226 113 S C 1.884 176.573 174.600 0.148 0.000 1.026 113 S CA 1.592 59.858 58.200 0.111 0.000 0.972 113 S CB -0.335 62.897 63.200 0.052 0.000 0.814 113 S HN 0.605 nan 8.310 nan 0.000 0.477 114 E N 0.745 121.074 120.200 0.216 0.000 2.051 114 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 114 E C 1.686 178.544 176.600 0.430 0.000 0.991 114 E CA 1.329 57.894 56.400 0.273 0.000 0.799 114 E CB -0.438 29.449 29.700 0.311 0.000 0.748 114 E HN 0.622 nan 8.360 nan 0.000 0.449 115 F N -0.278 119.927 119.950 0.425 0.000 2.171 115 F HA 0.012 4.539 4.527 -0.000 0.000 0.300 115 F C 1.247 177.124 175.800 0.128 0.000 1.090 115 F CA 1.801 59.976 58.000 0.292 0.000 1.293 115 F CB 0.260 39.306 39.000 0.077 0.000 1.013 115 F HN 0.116 nan 8.300 nan 0.000 0.486 116 G N 0.818 109.692 108.800 0.124 0.000 2.327 116 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.159 116 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.159 116 G C 0.026 174.933 174.900 0.011 0.000 1.056 116 G CA 0.104 45.180 45.100 -0.041 0.000 0.751 116 G HN 0.645 nan 8.290 nan 0.000 0.488 117 T N -0.811 113.820 114.554 0.129 0.000 2.716 117 T HA 0.736 5.086 4.350 -0.000 0.000 0.286 117 T C 0.062 174.709 174.700 -0.087 0.000 1.052 117 T CA -0.627 61.488 62.100 0.024 0.000 1.024 117 T CB 1.132 70.059 68.868 0.099 0.000 1.349 117 T HN 0.500 nan 8.240 nan 0.000 0.525 118 I N 2.476 122.892 120.570 -0.256 0.000 2.395 118 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 118 I C 0.098 176.045 176.117 -0.283 0.000 1.023 118 I CA -0.550 60.486 61.300 -0.441 0.000 1.350 118 I CB 1.335 38.734 38.000 -1.002 0.000 1.409 118 I HN 0.523 nan 8.210 nan 0.000 0.507 119 M N 5.688 125.178 119.600 -0.183 0.000 2.188 119 M HA 0.283 4.763 4.480 -0.000 0.000 0.357 119 M C -0.591 175.702 176.300 -0.012 0.000 1.204 119 M CA 0.439 55.708 55.300 -0.051 0.000 1.095 119 M CB 0.963 33.574 32.600 0.019 0.000 1.604 119 M HN 0.442 nan 8.290 nan 0.000 0.464 120 S N 6.125 121.856 115.700 0.052 0.000 2.433 120 S HA 0.607 5.077 4.470 -0.000 0.000 0.310 120 S C -0.477 174.169 174.600 0.078 0.000 1.097 120 S CA -0.612 57.663 58.200 0.125 0.000 1.103 120 S CB 0.221 63.519 63.200 0.164 0.000 0.992 120 S HN 0.682 nan 8.310 nan 0.000 0.469 121 I N 2.633 123.268 120.570 0.108 0.000 2.304 121 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 121 I C 0.646 176.703 176.117 -0.100 0.000 1.018 121 I CA -0.248 61.101 61.300 0.082 0.000 1.260 121 I CB 1.394 39.579 38.000 0.308 0.000 1.390 121 I HN 0.476 nan 8.210 nan 0.000 0.475 122 S N 4.520 120.153 115.700 -0.111 0.000 2.549 122 S HA 0.301 4.770 4.470 -0.000 0.000 0.279 122 S C 1.406 175.928 174.600 -0.130 0.000 1.321 122 S CA -0.097 57.999 58.200 -0.175 0.000 1.054 122 S CB 1.225 64.414 63.200 -0.019 0.000 0.899 122 S HN 0.741 nan 8.310 nan 0.000 0.497 123 A N 4.949 127.621 122.820 -0.246 0.000 2.032 123 A HA -0.078 4.242 4.320 -0.000 0.000 0.221 123 A C 0.992 178.816 177.584 0.401 0.000 1.165 123 A CA 1.475 53.569 52.037 0.096 0.000 0.645 123 A CB -0.597 18.457 19.000 0.089 0.000 0.807 123 A HN 0.895 nan 8.150 nan 0.000 0.453 124 Y N 0.160 120.514 120.300 0.090 0.000 2.625 124 Y HA 0.314 4.864 4.550 -0.000 0.000 0.285 124 Y C 1.297 177.196 175.900 -0.002 0.000 1.168 124 Y CA -0.945 57.171 58.100 0.026 0.000 1.250 124 Y CB -1.037 37.446 38.460 0.038 0.000 1.130 124 Y HN 0.237 nan 8.280 nan 0.000 0.526 125 S N 0.010 115.785 115.700 0.125 0.000 2.560 125 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 125 S C 1.596 176.201 174.600 0.009 0.000 1.327 125 S CA 0.379 58.589 58.200 0.017 0.000 1.055 125 S CB 0.893 64.039 63.200 -0.089 0.000 0.868 125 S HN 0.610 nan 8.310 nan 0.000 0.506 126 G N 2.541 111.348 108.800 0.013 0.000 2.880 126 G HA2 0.449 4.409 3.960 -0.000 0.000 0.209 126 G HA3 0.449 4.409 3.960 -0.000 0.000 0.209 126 G C 0.280 175.094 174.900 -0.145 0.000 1.157 126 G CA 0.339 45.411 45.100 -0.046 0.000 0.779 126 G HN 1.044 nan 8.290 nan 0.000 0.539 127 A N 0.490 123.227 122.820 -0.137 0.000 2.324 127 A HA 0.699 5.019 4.320 -0.000 0.000 0.330 127 A C 0.568 178.067 177.584 -0.142 0.000 1.165 127 A CA -0.094 51.864 52.037 -0.131 0.000 0.813 127 A CB 0.721 19.650 19.000 -0.120 0.000 1.197 127 A HN 0.363 nan 8.150 nan 0.000 0.484 128 T N -1.034 113.458 114.554 -0.103 0.000 2.813 128 T HA 0.324 4.674 4.350 -0.000 0.000 0.297 128 T C 0.693 175.343 174.700 -0.083 0.000 1.036 128 T CA 0.076 62.119 62.100 -0.095 0.000 1.044 128 T CB -0.001 68.859 68.868 -0.014 0.000 0.993 128 T HN 0.329 nan 8.240 nan 0.000 0.535 129 F N 0.823 120.778 119.950 0.009 0.000 2.202 129 F HA 0.029 4.556 4.527 0.000 0.000 0.301 129 F C 2.474 178.275 175.800 0.002 0.000 1.082 129 F CA 1.436 59.440 58.000 0.006 0.000 1.313 129 F CB -0.746 38.241 39.000 -0.021 0.000 1.024 129 F HN 0.633 nan 8.300 nan 0.000 0.495 130 E N 0.060 120.361 120.200 0.168 0.000 2.046 130 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 130 E C 2.090 178.722 176.600 0.054 0.000 0.982 130 E CA 1.335 57.790 56.400 0.092 0.000 0.800 130 E CB -0.338 29.399 29.700 0.063 0.000 0.756 130 E HN 0.396 nan 8.360 nan 0.000 0.449 131 E N 0.231 120.449 120.200 0.031 0.000 2.085 131 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 131 E C 2.084 178.691 176.600 0.012 0.000 0.994 131 E CA 1.038 57.443 56.400 0.008 0.000 0.801 131 E CB -0.169 29.522 29.700 -0.015 0.000 0.743 131 E HN 0.278 nan 8.360 nan 0.000 0.453 132 I N 0.380 120.964 120.570 0.022 0.000 2.202 132 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 132 I C 2.628 178.778 176.117 0.056 0.000 1.091 132 I CA 0.614 61.934 61.300 0.034 0.000 1.368 132 I CB -0.237 37.788 38.000 0.042 0.000 1.058 132 I HN 0.035 nan 8.210 nan 0.000 0.410 133 S N 0.276 116.026 115.700 0.083 0.000 2.387 133 S HA -0.290 4.180 4.470 -0.000 0.000 0.230 133 S C 2.021 176.642 174.600 0.034 0.000 1.035 133 S CA 2.014 60.257 58.200 0.071 0.000 1.014 133 S CB -0.282 62.965 63.200 0.078 0.000 0.836 133 S HN 0.499 nan 8.310 nan 0.000 0.466 134 E N -0.261 119.952 120.200 0.021 0.000 2.152 134 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 134 E C 2.067 178.653 176.600 -0.023 0.000 0.983 134 E CA 1.027 57.426 56.400 -0.002 0.000 0.818 134 E CB -0.589 29.109 29.700 -0.003 0.000 0.758 134 E HN 0.563 nan 8.360 nan 0.000 0.467 135 G N 1.191 109.980 108.800 -0.018 0.000 2.402 135 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 135 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 135 G C 1.539 176.417 174.900 -0.036 0.000 1.162 135 G CA 0.551 45.627 45.100 -0.039 0.000 0.777 135 G HN 0.219 nan 8.290 nan 0.000 0.539 136 L N -0.075 121.148 121.223 0.001 0.000 2.275 136 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 136 L C 1.329 178.199 176.870 -0.001 0.000 1.119 136 L CA 0.316 55.163 54.840 0.013 0.000 0.790 136 L CB -0.575 41.508 42.059 0.039 0.000 0.919 136 L HN 0.370 nan 8.230 nan 0.000 0.443 137 N N 0.368 119.061 118.700 -0.012 0.000 2.698 137 N HA -0.273 4.467 4.740 -0.000 0.000 0.258 137 N C 0.926 176.436 175.510 0.001 0.000 0.978 137 N CA 0.142 53.182 53.050 -0.016 0.000 0.777 137 N CB -0.572 37.891 38.487 -0.041 0.000 0.907 137 N HN 0.627 nan 8.380 nan 0.000 0.543 138 G N -1.686 107.123 108.800 0.016 0.000 2.195 138 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.246 138 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.246 138 G C 0.468 175.391 174.900 0.039 0.000 0.984 138 G CA 0.286 45.401 45.100 0.026 0.000 0.633 138 G HN 0.794 nan 8.290 nan 0.000 0.525 139 G N 1.035 109.855 108.800 0.034 0.000 2.554 139 G HA2 0.501 4.461 3.960 -0.000 0.000 0.238 139 G HA3 0.501 4.461 3.960 -0.000 0.000 0.238 139 G C -1.318 173.607 174.900 0.042 0.000 1.259 139 G CA 0.043 45.165 45.100 0.036 0.000 0.843 139 G HN 0.346 nan 8.290 nan 0.000 0.582 140 P HA 0.218 nan 4.420 nan 0.000 0.271 140 P C -0.475 176.777 177.300 -0.081 0.000 1.218 140 P CA -0.033 63.062 63.100 -0.007 0.000 0.780 140 P CB 0.946 32.561 31.700 -0.142 0.000 0.901 141 R N 1.440 121.948 120.500 0.013 0.000 2.698 141 R HA 0.578 4.918 4.340 -0.000 0.000 0.275 141 R C -1.721 174.780 176.300 0.335 0.000 1.001 141 R CA -0.767 55.383 56.100 0.082 0.000 0.896 141 R CB 1.036 31.433 30.300 0.161 0.000 1.218 141 R HN 0.285 nan 8.270 nan 0.000 0.462 142 W N 2.206 123.575 121.300 0.115 0.000 2.689 142 W HA 0.500 5.160 4.660 -0.000 0.000 0.340 142 W C -0.967 175.686 176.519 0.223 0.000 1.060 142 W CA -1.572 55.871 57.345 0.164 0.000 1.218 142 W CB 1.487 31.027 29.460 0.134 0.000 1.410 142 W HN 0.499 nan 8.180 nan 0.000 0.528 143 F N 3.591 123.719 119.950 0.297 0.000 2.444 143 F HA 0.334 4.861 4.527 -0.000 0.000 0.342 143 F C 0.066 175.928 175.800 0.103 0.000 1.121 143 F CA -0.673 57.451 58.000 0.207 0.000 0.997 143 F CB 1.283 40.421 39.000 0.230 0.000 1.130 143 F HN 0.142 nan 8.300 nan 0.000 0.454 144 Q N 8.232 127.525 119.800 -0.845 0.000 2.368 144 Q HA 0.322 4.662 4.340 -0.000 0.000 0.256 144 Q C -1.291 174.096 176.000 -1.021 0.000 0.980 144 Q CA -0.452 54.897 55.803 -0.757 0.000 0.887 144 Q CB 1.344 29.719 28.738 -0.605 0.000 1.221 144 Q HN 0.945 nan 8.270 nan 0.000 0.458 145 I N 4.172 124.378 120.570 -0.605 0.000 2.385 145 I HA 0.262 4.432 4.170 -0.000 0.000 0.294 145 I C -1.292 174.610 176.117 -0.358 0.000 0.988 145 I CA -0.820 60.287 61.300 -0.321 0.000 1.265 145 I CB 0.770 38.812 38.000 0.069 0.000 1.388 145 I HN 0.614 nan 8.210 nan 0.000 0.480 146 Y N 7.837 128.060 120.300 -0.129 0.000 2.491 146 Y HA 0.332 4.881 4.550 -0.000 0.000 0.334 146 Y C 0.285 176.218 175.900 0.056 0.000 0.969 146 Y CA -1.090 56.965 58.100 -0.074 0.000 1.241 146 Y CB 0.929 39.288 38.460 -0.169 0.000 1.105 146 Y HN 0.399 nan 8.280 nan 0.000 0.503 147 M N 2.644 122.350 119.600 0.178 0.000 2.219 147 M HA -0.028 4.452 4.480 -0.000 0.000 0.340 147 M C 0.504 176.901 176.300 0.162 0.000 1.135 147 M CA 0.594 55.980 55.300 0.143 0.000 0.976 147 M CB 0.058 32.713 32.600 0.093 0.000 1.713 147 M HN 0.691 nan 8.290 nan 0.000 0.457 148 A N 3.814 126.713 122.820 0.133 0.000 2.271 148 A HA 0.307 4.627 4.320 -0.000 0.000 0.288 148 A C 1.006 178.635 177.584 0.074 0.000 1.094 148 A CA -0.588 51.514 52.037 0.109 0.000 0.828 148 A CB 0.633 19.691 19.000 0.096 0.000 1.091 148 A HN 0.921 nan 8.150 nan 0.000 0.493 149 K N -0.108 120.328 120.400 0.060 0.000 2.097 149 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 149 K C -0.328 176.290 176.600 0.030 0.000 1.049 149 K CA 1.349 57.661 56.287 0.041 0.000 0.933 149 K CB -0.114 32.406 32.500 0.034 0.000 0.717 149 K HN 0.750 nan 8.250 nan 0.000 0.442 150 D N 0.849 121.267 120.400 0.030 0.000 2.317 150 D HA 0.004 4.644 4.640 -0.000 0.000 0.252 150 D C 0.285 176.592 176.300 0.011 0.000 1.174 150 D CA -0.028 53.983 54.000 0.018 0.000 0.866 150 D CB 1.146 41.957 40.800 0.018 0.000 1.127 150 D HN -0.056 nan 8.370 nan 0.000 0.467 151 D N 1.893 122.292 120.400 -0.003 0.000 2.116 151 D HA -0.219 4.420 4.640 -0.000 0.000 0.193 151 D C 1.580 177.852 176.300 -0.046 0.000 0.998 151 D CA 1.166 55.151 54.000 -0.025 0.000 0.836 151 D CB 0.099 40.882 40.800 -0.028 0.000 0.951 151 D HN 0.423 nan 8.370 nan 0.000 0.449 152 Q N 0.590 120.372 119.800 -0.030 0.000 2.084 152 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 152 Q C 1.995 177.983 176.000 -0.020 0.000 0.978 152 Q CA 1.539 57.323 55.803 -0.032 0.000 0.844 152 Q CB -0.225 28.506 28.738 -0.011 0.000 0.898 152 Q HN 0.392 nan 8.270 nan 0.000 0.426 153 Q N -0.462 119.341 119.800 0.004 0.000 2.135 153 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 153 Q C 1.703 177.727 176.000 0.040 0.000 0.981 153 Q CA 1.295 57.116 55.803 0.030 0.000 0.856 153 Q CB -0.129 28.636 28.738 0.045 0.000 0.902 153 Q HN 0.462 nan 8.270 nan 0.000 0.425 154 N N 0.609 119.321 118.700 0.019 0.000 2.171 154 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 154 N C 1.627 177.119 175.510 -0.030 0.000 1.021 154 N CA 0.942 54.007 53.050 0.025 0.000 0.854 154 N CB -0.205 38.288 38.487 0.010 0.000 0.994 154 N HN 0.216 nan 8.380 nan 0.000 0.426 155 R N 0.779 121.184 120.500 -0.158 0.000 2.103 155 R HA -0.110 4.230 4.340 -0.000 0.000 0.242 155 R C 1.256 177.560 176.300 0.006 0.000 1.142 155 R CA 1.394 57.316 56.100 -0.298 0.000 0.960 155 R CB -0.177 29.906 30.300 -0.361 0.000 0.858 155 R HN 0.267 nan 8.270 nan 0.000 0.439 156 D N 0.462 120.869 120.400 0.013 0.000 2.097 156 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 156 D C 1.985 178.309 176.300 0.039 0.000 0.984 156 D CA 1.084 55.107 54.000 0.038 0.000 0.826 156 D CB -0.225 40.594 40.800 0.033 0.000 0.973 156 D HN 0.206 nan 8.370 nan 0.000 0.460 157 I N 0.687 121.295 120.570 0.063 0.000 2.208 157 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 157 I C 2.432 178.533 176.117 -0.027 0.000 1.097 157 I CA 0.782 62.126 61.300 0.073 0.000 1.363 157 I CB -0.281 37.836 38.000 0.195 0.000 1.051 157 I HN -0.039 nan 8.210 nan 0.000 0.413 158 L N 0.282 121.539 121.223 0.057 0.000 2.083 158 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 158 L C 2.133 178.997 176.870 -0.010 0.000 1.083 158 L CA 1.196 56.076 54.840 0.066 0.000 0.752 158 L CB -0.652 41.531 42.059 0.207 0.000 0.899 158 L HN 0.246 nan 8.230 nan 0.000 0.433 159 D N 0.043 120.461 120.400 0.029 0.000 2.097 159 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 159 D C 2.144 178.354 176.300 -0.150 0.000 0.984 159 D CA 1.131 55.116 54.000 -0.025 0.000 0.826 159 D CB -0.034 40.788 40.800 0.037 0.000 0.973 159 D HN 0.340 nan 8.370 nan 0.000 0.460 160 E N 0.502 120.584 120.200 -0.196 0.000 2.077 160 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 160 E C 2.080 178.226 176.600 -0.757 0.000 0.989 160 E CA 1.009 57.195 56.400 -0.356 0.000 0.800 160 E CB -0.060 29.509 29.700 -0.219 0.000 0.746 160 E HN 0.197 nan 8.360 nan 0.000 0.452 161 A N 1.673 124.007 122.820 -0.810 0.000 1.877 161 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 161 A C 2.072 179.363 177.584 -0.489 0.000 1.186 161 A CA 1.675 53.141 52.037 -0.953 0.000 0.620 161 A CB -0.385 18.111 19.000 -0.840 0.000 0.822 161 A HN 0.054 nan 8.150 nan 0.000 0.443 162 K N -0.328 119.902 120.400 -0.284 0.000 2.026 162 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 162 K C 2.260 178.764 176.600 -0.161 0.000 1.048 162 K CA 1.529 57.726 56.287 -0.150 0.000 0.929 162 K CB -0.225 32.217 32.500 -0.098 0.000 0.713 162 K HN 0.423 nan 8.250 nan 0.000 0.439 163 S N 0.996 116.576 115.700 -0.200 0.000 2.419 163 S HA -0.190 4.280 4.470 -0.000 0.000 0.235 163 S C 1.407 175.904 174.600 -0.171 0.000 1.019 163 S CA 1.821 59.924 58.200 -0.163 0.000 0.982 163 S CB -0.308 62.798 63.200 -0.157 0.000 0.789 163 S HN 0.475 nan 8.310 nan 0.000 0.490 164 D N -0.144 120.089 120.400 -0.278 0.000 2.234 164 D HA 0.087 4.727 4.640 -0.000 0.000 0.205 164 D C 1.185 177.431 176.300 -0.091 0.000 0.962 164 D CA 1.096 54.963 54.000 -0.223 0.000 0.855 164 D CB -0.061 40.481 40.800 -0.431 0.000 0.951 164 D HN 0.408 nan 8.370 nan 0.000 0.500 165 G N -0.985 107.770 108.800 -0.074 0.000 2.155 165 G HA2 0.017 3.977 3.960 -0.000 0.000 0.130 165 G HA3 0.017 3.977 3.960 -0.000 0.000 0.130 165 G C 0.240 175.192 174.900 0.087 0.000 1.027 165 G CA -0.073 45.036 45.100 0.016 0.000 0.705 165 G HN 0.546 nan 8.290 nan 0.000 0.496 166 A N 0.799 123.664 122.820 0.075 0.000 2.524 166 A HA 0.569 4.889 4.320 -0.000 0.000 0.250 166 A C 1.516 179.226 177.584 0.209 0.000 1.078 166 A CA 1.549 53.702 52.037 0.194 0.000 0.761 166 A CB 0.179 19.290 19.000 0.185 0.000 1.012 166 A HN 1.358 nan 8.150 nan 0.000 0.500 167 T N -0.626 114.137 114.554 0.348 0.000 3.069 167 T HA 0.562 4.912 4.350 -0.000 0.000 0.252 167 T C 0.407 175.224 174.700 0.194 0.000 1.053 167 T CA 0.527 62.824 62.100 0.329 0.000 0.964 167 T CB -0.054 69.143 68.868 0.547 0.000 1.005 167 T HN 1.606 nan 8.240 nan 0.000 0.532 168 A N 0.935 123.794 122.820 0.065 0.000 2.609 168 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 168 A C -1.701 175.866 177.584 -0.027 0.000 1.096 168 A CA -0.916 50.991 52.037 -0.216 0.000 0.684 168 A CB 1.173 19.613 19.000 -0.933 0.000 1.282 168 A HN 0.203 nan 8.150 nan 0.000 0.412 169 I N 1.191 121.760 120.570 -0.002 0.000 2.433 169 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 169 I C -0.673 175.485 176.117 0.069 0.000 1.001 169 I CA -0.505 60.848 61.300 0.089 0.000 1.119 169 I CB 1.310 39.375 38.000 0.108 0.000 1.289 169 I HN 0.512 nan 8.210 nan 0.000 0.438 170 I N 6.400 126.977 120.570 0.011 0.000 2.330 170 I HA 0.227 4.397 4.170 -0.000 0.000 0.286 170 I C -0.298 175.712 176.117 -0.179 0.000 1.025 170 I CA -0.742 60.512 61.300 -0.078 0.000 1.197 170 I CB 1.513 39.355 38.000 -0.264 0.000 1.358 170 I HN 0.284 nan 8.210 nan 0.000 0.467 171 L N 7.031 128.190 121.223 -0.107 0.000 2.295 171 L HA 0.349 4.689 4.340 -0.000 0.000 0.288 171 L C 0.129 176.882 176.870 -0.194 0.000 1.079 171 L CA 0.550 55.309 54.840 -0.135 0.000 0.830 171 L CB 0.729 42.758 42.059 -0.050 0.000 1.200 171 L HN 0.483 nan 8.230 nan 0.000 0.438 172 T N 5.437 119.800 114.554 -0.318 0.000 2.723 172 T HA 0.453 4.803 4.350 -0.000 0.000 0.297 172 T C 0.847 175.470 174.700 -0.129 0.000 0.925 172 T CA 0.304 62.226 62.100 -0.296 0.000 1.030 172 T CB 1.089 69.659 68.868 -0.496 0.000 0.905 172 T HN 0.746 nan 8.240 nan 0.000 0.502 173 A N 2.761 125.542 122.820 -0.066 0.000 2.508 173 A HA 0.224 4.544 4.320 -0.000 0.000 0.257 173 A C 1.320 178.887 177.584 -0.028 0.000 1.226 173 A CA -0.391 51.628 52.037 -0.029 0.000 0.947 173 A CB 0.143 19.131 19.000 -0.020 0.000 1.079 173 A HN 0.734 nan 8.150 nan 0.000 0.531 174 D N -0.859 119.529 120.400 -0.021 0.000 2.358 174 D HA 0.153 4.793 4.640 -0.000 0.000 0.224 174 D C 0.136 176.354 176.300 -0.136 0.000 1.123 174 D CA 0.371 54.348 54.000 -0.038 0.000 0.833 174 D CB -0.122 40.686 40.800 0.014 0.000 0.946 174 D HN 0.008 nan 8.370 nan 0.000 0.505 175 S N -0.680 114.901 115.700 -0.199 0.000 2.825 175 S HA 0.053 4.523 4.470 -0.000 0.000 0.242 175 S C 1.318 175.598 174.600 -0.534 0.000 0.980 175 S CA -0.128 57.767 58.200 -0.508 0.000 1.107 175 S CB 0.492 63.284 63.200 -0.679 0.000 1.172 175 S HN 0.413 nan 8.310 nan 0.000 0.483 176 T N -0.073 114.325 114.554 -0.259 0.000 2.849 176 T HA -0.024 4.326 4.350 -0.000 0.000 0.270 176 T C 0.845 175.431 174.700 -0.191 0.000 1.066 176 T CA 1.301 63.300 62.100 -0.168 0.000 1.130 176 T CB -0.481 68.339 68.868 -0.080 0.000 0.864 176 T HN 0.478 nan 8.240 nan 0.000 0.481 177 V N -2.647 117.121 119.914 -0.242 0.000 3.078 177 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 177 V C 0.005 175.955 176.094 -0.240 0.000 1.138 177 V CA -1.350 60.848 62.300 -0.170 0.000 1.007 177 V CB 1.560 33.352 31.823 -0.051 0.000 1.045 177 V HN 0.175 nan 8.190 nan 0.000 0.432 178 S N 1.046 116.746 115.700 0.001 0.000 2.576 178 S HA 0.527 4.997 4.470 -0.000 0.000 0.272 178 S C 0.681 175.298 174.600 0.029 0.000 1.352 178 S CA 0.422 58.702 58.200 0.134 0.000 1.021 178 S CB 0.438 63.833 63.200 0.325 0.000 0.887 178 S HN 1.837 nan 8.310 nan 0.000 0.542 179 G N 2.141 110.957 108.800 0.026 0.000 2.572 179 G HA2 0.181 4.141 3.960 -0.000 0.000 0.261 179 G HA3 0.181 4.141 3.960 -0.000 0.000 0.261 179 G C 0.062 174.981 174.900 0.032 0.000 1.197 179 G CA -0.765 44.347 45.100 0.021 0.000 0.870 179 G HN 0.888 nan 8.290 nan 0.000 0.548 180 N N 0.881 119.592 118.700 0.019 0.000 2.895 180 N HA 0.002 4.742 4.740 -0.000 0.000 0.277 180 N C -0.229 175.262 175.510 -0.030 0.000 1.185 180 N CA -0.174 52.871 53.050 -0.009 0.000 1.106 180 N CB 0.310 38.776 38.487 -0.035 0.000 1.422 180 N HN 0.425 nan 8.380 nan 0.000 0.521 181 R N 1.242 121.737 120.500 -0.008 0.000 2.408 181 R HA 0.141 4.481 4.340 -0.000 0.000 0.308 181 R C -0.527 175.761 176.300 -0.021 0.000 1.210 181 R CA -0.533 55.554 56.100 -0.022 0.000 1.115 181 R CB 0.257 30.543 30.300 -0.024 0.000 1.127 181 R HN 0.165 nan 8.270 nan 0.000 0.523 182 D N 2.243 122.620 120.400 -0.038 0.000 2.133 182 D HA -0.173 4.467 4.640 -0.000 0.000 0.195 182 D C 1.717 178.016 176.300 -0.002 0.000 0.997 182 D CA 1.507 55.492 54.000 -0.025 0.000 0.840 182 D CB 0.149 40.925 40.800 -0.041 0.000 0.947 182 D HN 0.415 nan 8.370 nan 0.000 0.452 183 R N 0.412 120.904 120.500 -0.013 0.000 2.083 183 R HA -0.132 4.208 4.340 -0.000 0.000 0.237 183 R C 1.615 177.926 176.300 0.018 0.000 1.137 183 R CA 1.408 57.506 56.100 -0.005 0.000 0.951 183 R CB -0.314 29.956 30.300 -0.049 0.000 0.851 183 R HN 0.252 nan 8.270 nan 0.000 0.434 184 D N 0.145 120.551 120.400 0.011 0.000 2.144 184 D HA -0.098 4.542 4.640 -0.000 0.000 0.199 184 D C 2.020 178.381 176.300 0.102 0.000 0.984 184 D CA 0.851 54.896 54.000 0.074 0.000 0.834 184 D CB -0.177 40.678 40.800 0.092 0.000 0.955 184 D HN 0.007 nan 8.370 nan 0.000 0.465 185 V N 1.129 121.081 119.914 0.063 0.000 2.261 185 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 185 V C 2.316 178.444 176.094 0.057 0.000 1.047 185 V CA 1.643 63.975 62.300 0.053 0.000 1.015 185 V CB -0.354 31.486 31.823 0.029 0.000 0.642 185 V HN 0.166 nan 8.190 nan 0.000 0.446 186 K N 0.283 120.717 120.400 0.056 0.000 2.147 186 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 186 K C 1.730 178.386 176.600 0.093 0.000 1.049 186 K CA 1.475 57.801 56.287 0.064 0.000 0.936 186 K CB -0.228 32.310 32.500 0.063 0.000 0.722 186 K HN 0.426 nan 8.250 nan 0.000 0.446 187 N N 0.825 119.601 118.700 0.127 0.000 2.412 187 N HA -0.006 4.734 4.740 -0.000 0.000 0.184 187 N C -0.582 175.023 175.510 0.157 0.000 1.101 187 N CA 0.354 53.510 53.050 0.177 0.000 0.881 187 N CB 0.379 39.008 38.487 0.237 0.000 0.969 187 N HN 0.070 nan 8.380 nan 0.000 0.459 188 K N 0.427 120.900 120.400 0.121 0.000 3.257 188 K HA -0.215 4.105 4.320 -0.000 0.000 0.270 188 K C -0.599 176.048 176.600 0.079 0.000 0.984 188 K CA 0.174 56.509 56.287 0.080 0.000 0.739 188 K CB -1.988 30.537 32.500 0.042 0.000 1.351 188 K HN 0.198 nan 8.250 nan 0.000 0.463 189 F N 1.307 121.235 119.950 -0.037 0.000 2.412 189 F HA 0.337 4.864 4.527 -0.000 0.000 0.348 189 F C 0.469 176.161 175.800 -0.181 0.000 1.102 189 F CA -0.508 57.435 58.000 -0.096 0.000 1.196 189 F CB 0.828 39.772 39.000 -0.093 0.000 1.144 189 F HN -0.013 nan 8.300 nan 0.000 0.541 190 V N 3.407 122.641 119.914 -1.133 0.000 2.876 190 V HA 0.435 4.555 4.120 -0.000 0.000 0.312 190 V C -1.176 174.069 176.094 -1.416 0.000 1.085 190 V CA -1.374 60.327 62.300 -0.999 0.000 0.945 190 V CB 1.006 32.559 31.823 -0.451 0.000 1.017 190 V HN 0.662 nan 8.190 nan 0.000 0.428 191 Y N 4.042 123.752 120.300 -0.984 0.000 2.632 191 Y HA 0.297 4.847 4.550 -0.000 0.000 0.329 191 Y C -0.912 174.523 175.900 -0.775 0.000 1.174 191 Y CA -0.840 56.700 58.100 -0.934 0.000 1.469 191 Y CB 0.615 38.639 38.460 -0.726 0.000 1.242 191 Y HN 0.561 nan 8.280 nan 0.000 0.540 192 P HA -0.003 nan 4.420 nan 0.000 0.245 192 P C -0.791 176.381 177.300 -0.214 0.000 1.212 192 P CA 0.665 63.530 63.100 -0.392 0.000 0.774 192 P CB -0.028 31.506 31.700 -0.277 0.000 0.999 193 F N -2.726 117.176 119.950 -0.081 0.000 2.664 193 F HA 0.789 5.316 4.527 -0.000 0.000 0.317 193 F C 0.340 176.078 175.800 -0.103 0.000 1.108 193 F CA -1.611 56.346 58.000 -0.071 0.000 0.957 193 F CB 0.363 39.329 39.000 -0.057 0.000 1.365 193 F HN -0.203 nan 8.300 nan 0.000 0.475 194 G N 0.243 109.149 108.800 0.176 0.000 2.580 194 G HA2 0.547 4.507 3.960 -0.000 0.000 0.278 194 G HA3 0.547 4.507 3.960 -0.000 0.000 0.278 194 G C -1.182 173.744 174.900 0.044 0.000 1.212 194 G CA -1.045 44.072 45.100 0.028 0.000 0.939 194 G HN 0.641 nan 8.290 nan 0.000 0.513 195 M N 2.012 121.568 119.600 -0.072 0.000 2.016 195 M HA 0.230 4.710 4.480 -0.000 0.000 0.315 195 M C -1.660 174.606 176.300 -0.056 0.000 0.930 195 M CA -1.617 53.637 55.300 -0.077 0.000 0.899 195 M CB 2.774 35.262 32.600 -0.187 0.000 1.401 195 M HN 0.310 nan 8.290 nan 0.000 0.386 196 P HA -0.193 nan 4.420 nan 0.000 0.217 196 P C 1.155 178.443 177.300 -0.019 0.000 1.151 196 P CA 1.743 64.823 63.100 -0.034 0.000 0.849 196 P CB 0.188 31.860 31.700 -0.047 0.000 0.787 197 I N -0.563 119.987 120.570 -0.032 0.000 2.202 197 I HA -0.156 4.014 4.170 -0.000 0.000 0.242 197 I C 2.315 178.492 176.117 0.100 0.000 1.091 197 I CA 1.441 62.748 61.300 0.012 0.000 1.368 197 I CB -0.566 37.400 38.000 -0.058 0.000 1.058 197 I HN -0.126 nan 8.210 nan 0.000 0.410 198 V N -2.123 117.848 119.914 0.096 0.000 3.644 198 V HA 0.076 4.196 4.120 -0.000 0.000 0.267 198 V C 1.267 177.379 176.094 0.031 0.000 1.277 198 V CA -0.146 62.219 62.300 0.109 0.000 1.096 198 V CB -0.903 31.019 31.823 0.166 0.000 0.828 198 V HN 0.390 nan 8.190 nan 0.000 0.446 211 L N 3.304 124.588 121.223 0.102 0.000 2.407 211 L HA 0.622 4.962 4.340 -0.000 0.000 0.282 211 L C 0.693 177.579 176.870 0.027 0.000 1.110 211 L CA 1.136 55.994 54.840 0.029 0.000 0.863 211 L CB -0.543 41.581 42.059 0.108 0.000 1.207 211 L HN 0.956 nan 8.230 nan 0.000 0.454 212 N N 1.945 120.662 118.700 0.028 0.000 2.461 212 N HA -0.149 4.591 4.740 -0.000 0.000 0.299 212 N C 0.700 176.257 175.510 0.079 0.000 1.617 212 N CA 0.679 53.797 53.050 0.113 0.000 3.198 212 N CB -0.435 38.103 38.487 0.085 0.000 1.582 212 N HN 0.520 nan 8.380 nan 0.000 1.136 213 N N 1.154 119.869 118.700 0.024 0.000 2.336 213 N HA 0.253 4.993 4.740 -0.000 0.000 0.177 213 N C 1.825 177.324 175.510 -0.018 0.000 1.018 213 N CA 0.737 53.789 53.050 0.005 0.000 0.878 213 N CB 0.303 38.779 38.487 -0.018 0.000 0.997 213 N HN 0.389 nan 8.380 nan 0.000 0.433 214 I N 0.367 120.890 120.570 -0.078 0.000 2.179 214 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 214 I C 1.773 177.866 176.117 -0.040 0.000 1.088 214 I CA 1.241 62.437 61.300 -0.172 0.000 1.357 214 I CB -0.331 37.434 38.000 -0.393 0.000 1.051 214 I HN 0.126 nan 8.210 nan 0.000 0.409 215 Y N 0.561 120.853 120.300 -0.013 0.000 2.483 215 Y HA -0.162 4.388 4.550 -0.000 0.000 0.291 215 Y C 2.523 178.422 175.900 -0.002 0.000 1.143 215 Y CA 0.286 58.381 58.100 -0.009 0.000 1.289 215 Y CB -0.269 38.177 38.460 -0.023 0.000 0.983 215 Y HN 0.215 nan 8.280 nan 0.000 0.556 216 G N -0.537 108.352 108.800 0.148 0.000 2.408 216 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.215 216 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.215 216 G C 1.808 176.747 174.900 0.065 0.000 1.156 216 G CA 0.678 45.828 45.100 0.084 0.000 0.793 216 G HN 0.411 nan 8.290 nan 0.000 0.535 217 A N 0.935 123.788 122.820 0.055 0.000 1.969 217 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 217 A C 2.105 179.735 177.584 0.077 0.000 1.169 217 A CA 1.490 53.553 52.037 0.044 0.000 0.635 217 A CB -0.661 18.346 19.000 0.011 0.000 0.810 217 A HN 0.626 nan 8.150 nan 0.000 0.445 218 S N -0.533 115.241 115.700 0.123 0.000 2.617 218 S HA 0.285 4.755 4.470 -0.000 0.000 0.255 218 S C 0.115 174.776 174.600 0.102 0.000 1.318 218 S CA -0.442 57.848 58.200 0.151 0.000 0.978 218 S CB 0.374 63.710 63.200 0.227 0.000 0.961 218 S HN 0.407 nan 8.310 nan 0.000 0.582 219 K N 0.105 120.564 120.400 0.098 0.000 2.297 219 K HA 0.190 4.510 4.320 -0.000 0.000 0.286 219 K C 0.432 177.055 176.600 0.039 0.000 1.053 219 K CA -0.272 56.051 56.287 0.061 0.000 0.940 219 K CB 0.618 33.153 32.500 0.058 0.000 1.019 219 K HN 0.573 nan 8.250 nan 0.000 0.475 220 Q N 2.163 121.977 119.800 0.022 0.000 2.226 220 Q HA 0.058 4.398 4.340 -0.000 0.000 0.199 220 Q C 0.298 176.298 176.000 -0.001 0.000 0.945 220 Q CA 1.127 56.932 55.803 0.003 0.000 0.861 220 Q CB 0.334 29.073 28.738 0.002 0.000 0.953 220 Q HN 0.415 nan 8.270 nan 0.000 0.490 221 K N 1.128 121.532 120.400 0.006 0.000 3.226 221 K HA 0.187 4.507 4.320 -0.000 0.000 0.268 221 K C -0.786 175.817 176.600 0.004 0.000 1.217 221 K CA -0.183 56.105 56.287 0.002 0.000 1.242 221 K CB -0.425 32.077 32.500 0.004 0.000 1.389 221 K HN 0.174 nan 8.250 nan 0.000 0.406 222 I N 1.741 122.313 120.570 0.004 0.000 2.752 222 I HA -0.139 4.031 4.170 -0.000 0.000 0.289 222 I C 0.725 176.842 176.117 -0.000 0.000 1.197 222 I CA 0.453 61.756 61.300 0.005 0.000 1.432 222 I CB 0.573 38.576 38.000 0.004 0.000 1.359 222 I HN 0.308 nan 8.210 nan 0.000 0.571 223 S N 5.702 121.402 115.700 0.001 0.000 2.704 223 S HA 0.559 5.029 4.470 -0.000 0.000 0.296 223 S C -2.214 172.387 174.600 0.001 0.000 1.138 223 S CA -1.337 56.862 58.200 -0.001 0.000 0.875 223 S CB 1.889 65.089 63.200 -0.001 0.000 1.151 223 S HN 0.305 nan 8.310 nan 0.000 0.500 224 P HA -0.061 nan 4.420 nan 0.000 0.219 224 P C 1.033 178.335 177.300 0.003 0.000 1.146 224 P CA 1.001 64.102 63.100 0.001 0.000 0.808 224 P CB -0.135 31.566 31.700 0.000 0.000 0.779 225 R N -0.299 120.203 120.500 0.003 0.000 2.159 225 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 225 R C 1.511 177.815 176.300 0.008 0.000 1.131 225 R CA 1.304 57.407 56.100 0.005 0.000 0.982 225 R CB -1.062 29.241 30.300 0.005 0.000 0.868 225 R HN 0.255 nan 8.270 nan 0.000 0.453 226 D N 0.990 121.395 120.400 0.008 0.000 2.183 226 D HA -0.056 4.584 4.640 -0.000 0.000 0.203 226 D C 1.951 178.258 176.300 0.013 0.000 0.969 226 D CA 0.945 54.952 54.000 0.011 0.000 0.842 226 D CB -0.037 40.770 40.800 0.012 0.000 0.957 226 D HN 0.250 nan 8.370 nan 0.000 0.484 227 I N 0.935 121.510 120.570 0.008 0.000 2.142 227 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 227 I C 2.430 178.551 176.117 0.006 0.000 1.078 227 I CA 1.030 62.333 61.300 0.005 0.000 1.343 227 I CB -0.098 37.902 38.000 -0.000 0.000 1.046 227 I HN -0.154 nan 8.210 nan 0.000 0.405 228 E N 1.171 121.375 120.200 0.006 0.000 2.110 228 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 228 E C 1.970 178.582 176.600 0.020 0.000 0.988 228 E CA 1.491 57.895 56.400 0.008 0.000 0.804 228 E CB -0.051 29.652 29.700 0.005 0.000 0.745 228 E HN 0.437 nan 8.360 nan 0.000 0.458 229 E N -0.359 119.856 120.200 0.024 0.000 2.072 229 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 229 E C 2.200 178.838 176.600 0.063 0.000 0.982 229 E CA 1.026 57.448 56.400 0.037 0.000 0.803 229 E CB -0.116 29.597 29.700 0.021 0.000 0.755 229 E HN 0.311 nan 8.360 nan 0.000 0.453 230 I N 0.971 121.573 120.570 0.053 0.000 2.163 230 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 230 I C 2.473 178.638 176.117 0.081 0.000 1.085 230 I CA 1.112 62.458 61.300 0.076 0.000 1.347 230 I CB -0.259 37.774 38.000 0.055 0.000 1.044 230 I HN 0.116 nan 8.210 nan 0.000 0.408 231 A N 0.514 123.359 122.820 0.042 0.000 1.872 231 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 231 A C 2.541 180.139 177.584 0.024 0.000 1.187 231 A CA 1.578 53.626 52.037 0.018 0.000 0.614 231 A CB -0.828 18.167 19.000 -0.007 0.000 0.826 231 A HN 0.413 nan 8.150 nan 0.000 0.442 232 A N -0.844 121.999 122.820 0.037 0.000 1.908 232 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 232 A C 2.051 179.668 177.584 0.055 0.000 1.181 232 A CA 2.225 54.284 52.037 0.037 0.000 0.627 232 A CB -0.893 18.133 19.000 0.043 0.000 0.818 232 A HN 0.757 nan 8.150 nan 0.000 0.445 233 H N 0.715 119.786 119.070 0.001 0.000 2.299 233 H HA -0.092 4.464 4.556 -0.000 0.000 0.302 233 H C 2.448 177.776 175.328 -0.000 0.000 1.078 233 H CA 2.487 58.536 56.048 0.003 0.000 1.323 233 H CB -0.071 29.697 29.762 0.010 0.000 1.381 233 H HN 0.535 nan 8.280 nan 0.000 0.498 234 S N -1.146 114.547 115.700 -0.013 0.000 2.470 234 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 234 S C 1.937 176.490 174.600 -0.078 0.000 1.006 234 S CA 0.500 58.660 58.200 -0.065 0.000 0.934 234 S CB -0.372 62.854 63.200 0.044 0.000 0.778 234 S HN 0.803 nan 8.310 nan 0.000 0.517 235 G N 1.111 109.878 108.800 -0.055 0.000 2.203 235 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.263 235 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.263 235 G C -0.126 174.754 174.900 -0.033 0.000 1.012 235 G CA 0.794 45.866 45.100 -0.046 0.000 0.749 235 G HN 0.560 nan 8.290 nan 0.000 0.512 236 L N -0.451 120.758 121.223 -0.024 0.000 2.319 236 L HA 0.536 4.876 4.340 -0.000 0.000 0.267 236 L C -2.041 174.799 176.870 -0.049 0.000 1.011 236 L CA -2.652 52.175 54.840 -0.021 0.000 0.818 236 L CB 1.856 43.917 42.059 0.004 0.000 1.316 236 L HN -0.177 nan 8.230 nan 0.000 0.432 237 P HA 0.079 nan 4.420 nan 0.000 0.267 237 P C -0.919 176.274 177.300 -0.179 0.000 1.209 237 P CA -0.110 62.892 63.100 -0.163 0.000 0.763 237 P CB 0.628 32.203 31.700 -0.209 0.000 0.816 238 V N 5.296 125.099 119.914 -0.184 0.000 2.370 238 V HA 0.306 4.426 4.120 -0.000 0.000 0.279 238 V C 0.053 176.024 176.094 -0.205 0.000 1.029 238 V CA -0.337 61.892 62.300 -0.118 0.000 0.870 238 V CB 0.208 31.998 31.823 -0.054 0.000 0.984 238 V HN 0.368 nan 8.190 nan 0.000 0.451 239 F N 3.466 123.370 119.950 -0.076 0.000 2.394 239 F HA 0.479 5.006 4.527 -0.000 0.000 0.340 239 F C 0.340 176.139 175.800 -0.001 0.000 1.105 239 F CA -0.347 57.658 58.000 0.009 0.000 1.124 239 F CB 1.635 40.713 39.000 0.130 0.000 1.145 239 F HN 0.168 nan 8.300 nan 0.000 0.505 240 V N 3.886 123.923 119.914 0.205 0.000 2.370 240 V HA 0.305 4.425 4.120 -0.000 0.000 0.279 240 V C -0.286 175.900 176.094 0.153 0.000 1.029 240 V CA -0.905 61.463 62.300 0.114 0.000 0.870 240 V CB 1.325 33.190 31.823 0.070 0.000 0.984 240 V HN 0.636 nan 8.190 nan 0.000 0.451 241 K N 3.514 123.917 120.400 0.006 0.000 2.323 241 K HA 0.696 5.016 4.320 -0.000 0.000 0.259 241 K C 0.521 177.073 176.600 -0.080 0.000 0.947 241 K CA 0.270 56.494 56.287 -0.105 0.000 0.819 241 K CB 1.429 33.568 32.500 -0.601 0.000 1.109 241 K HN 0.863 nan 8.250 nan 0.000 0.429 242 G N 3.744 112.552 108.800 0.014 0.000 2.173 242 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.142 242 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.142 242 G C -0.153 174.795 174.900 0.080 0.000 1.019 242 G CA -0.428 44.697 45.100 0.041 0.000 0.699 242 G HN 0.554 nan 8.290 nan 0.000 0.495 243 I N 1.187 121.826 120.570 0.116 0.000 2.556 243 I HA 0.236 4.406 4.170 -0.000 0.000 0.284 243 I C 1.314 177.509 176.117 0.130 0.000 1.114 243 I CA 0.218 61.593 61.300 0.125 0.000 1.418 243 I CB 1.247 39.333 38.000 0.144 0.000 1.394 243 I HN 0.073 nan 8.210 nan 0.000 0.552 244 Q N 3.325 123.201 119.800 0.126 0.000 2.279 244 Q HA 0.128 4.468 4.340 -0.000 0.000 0.261 244 Q C 0.168 176.235 176.000 0.112 0.000 0.796 244 Q CA 0.194 56.065 55.803 0.114 0.000 0.971 244 Q CB 0.744 29.541 28.738 0.099 0.000 1.179 244 Q HN 0.575 nan 8.270 nan 0.000 0.505 245 H N 3.115 122.211 119.070 0.042 0.000 2.517 245 H HA 0.162 4.718 4.556 -0.000 0.000 0.317 245 H C -1.772 173.576 175.328 0.034 0.000 1.080 245 H CA -1.760 54.306 56.048 0.031 0.000 1.301 245 H CB 1.983 31.759 29.762 0.023 0.000 1.425 245 H HN -0.151 nan 8.280 nan 0.000 0.471 246 P HA -0.152 nan 4.420 nan 0.000 0.218 246 P C 1.144 178.533 177.300 0.148 0.000 1.148 246 P CA 0.900 64.014 63.100 0.023 0.000 0.822 246 P CB 0.588 32.244 31.700 -0.073 0.000 0.784 247 E N -0.005 120.405 120.200 0.349 0.000 2.204 247 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 247 E C 1.464 178.147 176.600 0.139 0.000 0.989 247 E CA 0.934 57.478 56.400 0.239 0.000 0.824 247 E CB -0.811 29.038 29.700 0.249 0.000 0.756 247 E HN 0.184 nan 8.360 nan 0.000 0.477 248 D N -0.575 119.917 120.400 0.154 0.000 2.224 248 D HA -0.040 4.600 4.640 -0.000 0.000 0.205 248 D C 1.648 177.997 176.300 0.081 0.000 0.965 248 D CA 1.038 55.087 54.000 0.082 0.000 0.852 248 D CB -0.195 40.649 40.800 0.075 0.000 0.947 248 D HN 0.234 nan 8.370 nan 0.000 0.494 249 A N 1.085 123.964 122.820 0.099 0.000 1.877 249 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 249 A C 2.015 179.635 177.584 0.060 0.000 1.186 249 A CA 2.054 54.141 52.037 0.083 0.000 0.620 249 A CB -0.658 18.394 19.000 0.086 0.000 0.822 249 A HN 0.151 nan 8.150 nan 0.000 0.443 250 D N -1.209 119.226 120.400 0.058 0.000 2.117 250 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 250 D C 1.931 178.250 176.300 0.031 0.000 0.982 250 D CA 1.540 55.564 54.000 0.040 0.000 0.828 250 D CB -0.199 40.626 40.800 0.041 0.000 0.967 250 D HN 0.283 nan 8.370 nan 0.000 0.464 251 M N 0.586 120.206 119.600 0.034 0.000 2.082 251 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 251 M C 2.042 178.352 176.300 0.017 0.000 1.069 251 M CA 2.011 57.324 55.300 0.021 0.000 1.102 251 M CB -0.806 31.804 32.600 0.018 0.000 1.336 251 M HN 0.119 nan 8.290 nan 0.000 0.404 252 A N 0.476 123.310 122.820 0.024 0.000 1.898 252 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 252 A C 2.135 179.721 177.584 0.003 0.000 1.181 252 A CA 1.651 53.698 52.037 0.018 0.000 0.620 252 A CB -0.908 18.112 19.000 0.034 0.000 0.819 252 A HN 0.616 nan 8.150 nan 0.000 0.442 253 I N -0.574 120.000 120.570 0.005 0.000 2.226 253 I HA -0.259 3.910 4.170 -0.000 0.000 0.245 253 I C 2.306 178.418 176.117 -0.009 0.000 1.100 253 I CA 1.563 62.859 61.300 -0.008 0.000 1.374 253 I CB -0.194 37.806 38.000 0.000 0.000 1.057 253 I HN 0.267 nan 8.210 nan 0.000 0.413 254 K N 0.655 121.054 120.400 -0.001 0.000 2.296 254 K HA 0.050 4.370 4.320 -0.000 0.000 0.200 254 K C 1.895 178.492 176.600 -0.004 0.000 1.048 254 K CA 0.991 57.277 56.287 -0.002 0.000 0.966 254 K CB -0.034 32.468 32.500 0.003 0.000 0.754 254 K HN 0.265 nan 8.250 nan 0.000 0.466 255 A N 0.339 123.156 122.820 -0.004 0.000 2.251 255 A HA 0.220 4.540 4.320 -0.000 0.000 0.209 255 A C 1.327 178.904 177.584 -0.011 0.000 1.187 255 A CA 0.836 52.871 52.037 -0.005 0.000 0.823 255 A CB -0.054 18.945 19.000 -0.001 0.000 0.846 255 A HN 0.380 nan 8.150 nan 0.000 0.486 256 G N -2.231 106.558 108.800 -0.019 0.000 2.192 256 G HA2 0.189 4.149 3.960 -0.000 0.000 0.193 256 G HA3 0.189 4.149 3.960 -0.000 0.000 0.193 256 G C 0.394 175.262 174.900 -0.053 0.000 0.999 256 G CA -0.002 45.079 45.100 -0.031 0.000 0.659 256 G HN 1.451 nan 8.290 nan 0.000 0.503 257 A N 0.394 123.180 122.820 -0.056 0.000 2.498 257 A HA 0.624 4.944 4.320 -0.000 0.000 0.239 257 A C 1.337 178.830 177.584 -0.153 0.000 1.068 257 A CA 1.300 53.277 52.037 -0.099 0.000 0.766 257 A CB 0.413 19.373 19.000 -0.067 0.000 1.003 257 A HN 0.951 nan 8.150 nan 0.000 0.497 258 S N 0.598 116.138 115.700 -0.266 0.000 2.557 258 S HA 0.448 4.918 4.470 -0.000 0.000 0.223 258 S C 0.604 174.901 174.600 -0.505 0.000 0.969 258 S CA 0.438 58.447 58.200 -0.318 0.000 0.927 258 S CB 0.069 63.083 63.200 -0.310 0.000 0.806 258 S HN 1.436 nan 8.310 nan 0.000 0.489 259 G N 0.917 109.369 108.800 -0.580 0.000 2.616 259 G HA2 0.521 4.481 3.960 -0.000 0.000 0.294 259 G HA3 0.521 4.481 3.960 -0.000 0.000 0.294 259 G C -1.828 173.053 174.900 -0.033 0.000 1.489 259 G CA -0.599 44.136 45.100 -0.607 0.000 0.836 259 G HN 0.064 nan 8.290 nan 0.000 0.527 260 I N 0.977 121.717 120.570 0.283 0.000 2.406 260 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 260 I C -1.118 175.294 176.117 0.492 0.000 0.999 260 I CA -0.970 60.532 61.300 0.337 0.000 1.124 260 I CB 1.875 39.997 38.000 0.202 0.000 1.289 260 I HN 0.594 nan 8.210 nan 0.000 0.441 261 W N 7.930 129.374 121.300 0.241 0.000 2.338 261 W HA 0.453 5.113 4.660 -0.000 0.000 0.315 261 W C -1.285 175.282 176.519 0.080 0.000 1.005 261 W CA -0.793 56.636 57.345 0.140 0.000 1.380 261 W CB 1.468 30.965 29.460 0.062 0.000 1.235 261 W HN 0.084 nan 8.180 nan 0.000 0.409 262 V N 5.776 125.898 119.914 0.346 0.000 2.508 262 V HA 0.400 4.520 4.120 -0.000 0.000 0.281 262 V C 0.318 176.498 176.094 0.144 0.000 1.041 262 V CA 0.398 62.853 62.300 0.258 0.000 1.016 262 V CB 0.816 32.837 31.823 0.331 0.000 0.984 262 V HN 0.497 nan 8.190 nan 0.000 0.478 263 S N 3.451 119.211 115.700 0.099 0.000 2.580 263 S HA 0.381 4.851 4.470 -0.000 0.000 0.281 263 S C -0.513 174.106 174.600 0.031 0.000 1.129 263 S CA -0.572 57.639 58.200 0.018 0.000 0.862 263 S CB 1.428 64.687 63.200 0.099 0.000 1.090 263 S HN 0.915 nan 8.310 nan 0.000 0.451 264 N N 1.966 120.673 118.700 0.013 0.000 2.351 264 N HA 0.205 4.945 4.740 -0.000 0.000 0.254 264 N C -0.080 175.504 175.510 0.123 0.000 1.241 264 N CA 0.044 53.133 53.050 0.064 0.000 0.883 264 N CB -0.664 37.856 38.487 0.055 0.000 1.202 264 N HN 0.900 nan 8.380 nan 0.000 0.512 265 H N 0.307 119.357 119.070 -0.033 0.000 2.862 265 H HA -0.112 4.444 4.556 -0.000 0.000 0.290 265 H C 0.980 176.288 175.328 -0.035 0.000 1.211 265 H CA 0.965 56.993 56.048 -0.033 0.000 1.140 265 H CB -1.349 28.408 29.762 -0.009 0.000 1.341 265 H HN 0.697 nan 8.280 nan 0.000 0.392 266 G N -0.573 108.236 108.800 0.016 0.000 2.273 266 G HA2 0.027 3.987 3.960 -0.000 0.000 0.280 266 G HA3 0.027 3.987 3.960 -0.000 0.000 0.280 266 G C 0.982 175.899 174.900 0.029 0.000 1.047 266 G CA 1.105 46.201 45.100 -0.007 0.000 0.869 266 G HN 1.948 nan 8.290 nan 0.000 0.502 267 A N -1.817 121.038 122.820 0.057 0.000 2.829 267 A HA -0.296 4.024 4.320 -0.000 0.000 0.267 267 A C 1.813 179.450 177.584 0.088 0.000 1.370 267 A CA 2.407 54.490 52.037 0.076 0.000 0.900 267 A CB -1.540 17.499 19.000 0.064 0.000 1.044 267 A HN 1.365 nan 8.150 nan 0.000 0.691 268 R N -1.235 119.319 120.500 0.090 0.000 2.317 268 R HA 0.127 4.467 4.340 -0.000 0.000 0.208 268 R C 1.479 177.791 176.300 0.020 0.000 0.914 268 R CA 0.635 56.769 56.100 0.057 0.000 1.060 268 R CB 0.062 30.409 30.300 0.078 0.000 1.015 268 R HN 0.649 nan 8.270 nan 0.000 0.498 269 Q N 0.559 120.373 119.800 0.023 0.000 3.081 269 Q HA 0.190 4.530 4.340 -0.000 0.000 0.219 269 Q C 0.165 176.189 176.000 0.040 0.000 1.169 269 Q CA -0.550 55.235 55.803 -0.030 0.000 0.309 269 Q CB -0.609 28.066 28.738 -0.105 0.000 5.821 269 Q HN 0.046 nan 8.270 nan 0.000 0.320 270 L N 1.870 123.118 121.223 0.043 0.000 2.499 270 L HA 0.046 4.386 4.340 -0.000 0.000 0.273 270 L C -0.577 176.379 176.870 0.142 0.000 1.195 270 L CA 0.345 55.231 54.840 0.078 0.000 0.882 270 L CB -0.220 41.868 42.059 0.049 0.000 1.133 270 L HN 0.283 nan 8.230 nan 0.000 0.483 271 Y N 4.267 124.593 120.300 0.044 0.000 2.354 271 Y HA 0.245 4.795 4.550 -0.000 0.000 0.322 271 Y C 0.869 176.818 175.900 0.082 0.000 1.253 271 Y CA -0.251 57.893 58.100 0.073 0.000 1.272 271 Y CB 0.618 39.113 38.460 0.058 0.000 1.255 271 Y HN 0.860 nan 8.280 nan 0.000 0.500 272 E N 0.818 120.471 120.200 -0.911 0.000 2.416 272 E HA -0.221 4.129 4.350 -0.000 0.000 0.249 272 E C -1.372 175.116 176.600 -0.187 0.000 1.124 272 E CA 0.404 56.403 56.400 -0.669 0.000 0.732 272 E CB -1.160 28.170 29.700 -0.617 0.000 1.286 272 E HN 0.705 nan 8.360 nan 0.000 0.394 273 A N 0.292 123.092 122.820 -0.034 0.000 2.344 273 A HA 0.814 5.134 4.320 -0.000 0.000 0.307 273 A C -2.557 175.101 177.584 0.124 0.000 1.151 273 A CA -1.298 50.768 52.037 0.048 0.000 0.842 273 A CB 0.901 19.927 19.000 0.044 0.000 1.350 273 A HN 0.007 nan 8.150 nan 0.000 0.459 274 P HA 0.282 nan 4.420 nan 0.000 0.270 274 P C 0.345 177.660 177.300 0.025 0.000 1.223 274 P CA 0.221 63.369 63.100 0.080 0.000 0.785 274 P CB 0.332 32.060 31.700 0.048 0.000 0.923 275 G N 0.542 109.320 108.800 -0.037 0.000 2.380 275 G HA2 0.036 3.996 3.960 -0.000 0.000 0.242 275 G HA3 0.036 3.996 3.960 -0.000 0.000 0.242 275 G C 1.294 176.177 174.900 -0.028 0.000 1.298 275 G CA 0.001 45.047 45.100 -0.091 0.000 0.878 275 G HN 0.475 nan 8.290 nan 0.000 0.542 276 S N 2.076 117.786 115.700 0.018 0.000 2.387 276 S HA -0.233 4.237 4.470 -0.000 0.000 0.230 276 S C 1.966 176.734 174.600 0.280 0.000 1.035 276 S CA 1.730 60.009 58.200 0.132 0.000 1.014 276 S CB -0.375 62.867 63.200 0.071 0.000 0.836 276 S HN 0.640 nan 8.310 nan 0.000 0.466 277 F N 2.529 122.457 119.950 -0.037 0.000 2.216 277 F HA -0.032 4.494 4.527 -0.000 0.000 0.300 277 F C 1.803 177.466 175.800 -0.229 0.000 1.085 277 F CA 1.595 59.385 58.000 -0.349 0.000 1.326 277 F CB -0.610 37.752 39.000 -1.063 0.000 1.027 277 F HN 0.205 nan 8.300 nan 0.000 0.497 278 D N -0.423 119.811 120.400 -0.277 0.000 2.263 278 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 278 D C 2.353 178.536 176.300 -0.195 0.000 0.971 278 D CA 1.799 55.651 54.000 -0.247 0.000 0.867 278 D CB -0.415 40.355 40.800 -0.050 0.000 0.929 278 D HN 0.472 nan 8.370 nan 0.000 0.492 279 T N -1.618 112.873 114.554 -0.106 0.000 3.067 279 T HA -0.014 4.336 4.350 -0.000 0.000 0.257 279 T C 1.923 176.594 174.700 -0.048 0.000 1.105 279 T CA -0.069 62.001 62.100 -0.050 0.000 1.104 279 T CB -0.120 68.763 68.868 0.025 0.000 0.925 279 T HN -0.024 nan 8.240 nan 0.000 0.498 280 L N 2.660 123.836 121.223 -0.078 0.000 2.012 280 L HA 0.153 4.493 4.340 -0.000 0.000 0.210 280 L C -0.877 175.950 176.870 -0.072 0.000 1.073 280 L CA 1.897 56.714 54.840 -0.038 0.000 0.748 280 L CB -1.301 40.688 42.059 -0.117 0.000 0.891 280 L HN 0.128 nan 8.230 nan 0.000 0.431 281 P HA -0.171 nan 4.420 nan 0.000 0.214 281 P C 1.647 178.909 177.300 -0.063 0.000 1.163 281 P CA 2.223 65.261 63.100 -0.103 0.000 0.883 281 P CB -0.285 31.330 31.700 -0.142 0.000 0.788 282 A N -0.791 121.983 122.820 -0.077 0.000 1.917 282 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 282 A C 2.263 179.824 177.584 -0.038 0.000 1.182 282 A CA 1.838 53.836 52.037 -0.065 0.000 0.633 282 A CB -1.765 17.179 19.000 -0.094 0.000 0.819 282 A HN 0.137 nan 8.150 nan 0.000 0.448 283 I N -0.623 119.937 120.570 -0.017 0.000 2.252 283 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 283 I C 2.955 179.093 176.117 0.035 0.000 1.102 283 I CA 0.963 62.277 61.300 0.023 0.000 1.385 283 I CB -0.301 37.738 38.000 0.065 0.000 1.064 283 I HN 0.349 nan 8.210 nan 0.000 0.414 284 A N 1.099 123.937 122.820 0.030 0.000 1.933 284 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 284 A C 2.211 179.810 177.584 0.024 0.000 1.175 284 A CA 1.847 53.906 52.037 0.037 0.000 0.628 284 A CB -0.645 18.375 19.000 0.034 0.000 0.814 284 A HN 0.614 nan 8.150 nan 0.000 0.444 285 E N -0.647 119.558 120.200 0.008 0.000 2.152 285 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 285 E C 2.052 178.658 176.600 0.009 0.000 0.983 285 E CA 1.147 57.550 56.400 0.005 0.000 0.818 285 E CB -0.303 29.393 29.700 -0.007 0.000 0.758 285 E HN 0.410 nan 8.360 nan 0.000 0.467 286 R N 1.705 122.211 120.500 0.010 0.000 2.092 286 R HA -0.049 4.291 4.340 -0.000 0.000 0.231 286 R C 2.191 178.507 176.300 0.027 0.000 1.119 286 R CA 0.994 57.104 56.100 0.018 0.000 0.970 286 R CB -0.752 29.561 30.300 0.020 0.000 0.864 286 R HN 0.118 nan 8.270 nan 0.000 0.440 287 V N 1.102 121.037 119.914 0.034 0.000 2.343 287 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 287 V C 0.871 176.983 176.094 0.029 0.000 1.051 287 V CA 1.623 63.946 62.300 0.038 0.000 1.036 287 V CB -0.923 30.932 31.823 0.054 0.000 0.654 287 V HN 0.680 nan 8.190 nan 0.000 0.451 288 N N -0.196 118.520 118.700 0.027 0.000 2.735 288 N HA -0.281 4.459 4.740 -0.000 0.000 0.248 288 N C 0.443 175.966 175.510 0.023 0.000 1.083 288 N CA 1.114 54.177 53.050 0.021 0.000 0.703 288 N CB -1.363 37.134 38.487 0.016 0.000 1.005 288 N HN 0.688 nan 8.380 nan 0.000 0.550 289 K N -2.557 117.861 120.400 0.030 0.000 3.274 289 K HA -0.311 4.009 4.320 -0.000 0.000 0.300 289 K C 1.158 177.773 176.600 0.024 0.000 1.230 289 K CA 1.331 57.637 56.287 0.031 0.000 0.884 289 K CB -0.811 31.706 32.500 0.029 0.000 1.242 289 K HN 0.491 nan 8.250 nan 0.000 0.467 290 R N 0.283 120.794 120.500 0.020 0.000 2.081 290 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 290 R C 1.179 177.481 176.300 0.003 0.000 1.131 290 R CA 1.798 57.904 56.100 0.010 0.000 0.960 290 R CB 0.047 30.351 30.300 0.007 0.000 0.856 290 R HN 0.279 nan 8.270 nan 0.000 0.436 291 V N -2.896 117.024 119.914 0.009 0.000 3.130 291 V HA 0.517 4.637 4.120 -0.000 0.000 0.310 291 V C -2.797 173.322 176.094 0.040 0.000 1.158 291 V CA -3.121 59.177 62.300 -0.003 0.000 1.029 291 V CB 2.023 33.817 31.823 -0.049 0.000 1.057 291 V HN -0.143 nan 8.190 nan 0.000 0.436 292 P HA 0.410 nan 4.420 nan 0.000 0.268 292 P C -0.804 176.623 177.300 0.211 0.000 1.208 292 P CA 0.252 63.441 63.100 0.148 0.000 0.777 292 P CB 0.278 32.113 31.700 0.226 0.000 0.875 293 I N 1.507 122.196 120.570 0.199 0.000 2.418 293 I HA 0.234 4.404 4.170 -0.000 0.000 0.287 293 I C -0.437 175.755 176.117 0.124 0.000 1.008 293 I CA -1.009 60.409 61.300 0.197 0.000 1.104 293 I CB 1.867 39.961 38.000 0.158 0.000 1.264 293 I HN -0.043 nan 8.210 nan 0.000 0.438 294 V N 6.501 126.422 119.914 0.013 0.000 2.481 294 V HA 0.326 4.446 4.120 -0.000 0.000 0.286 294 V C -0.512 175.452 176.094 -0.216 0.000 1.042 294 V CA -0.506 61.583 62.300 -0.353 0.000 0.928 294 V CB 1.564 32.670 31.823 -1.196 0.000 0.986 294 V HN 0.467 nan 8.190 nan 0.000 0.462 295 F N 5.151 124.960 119.950 -0.235 0.000 2.495 295 F HA 0.730 5.256 4.527 -0.000 0.000 0.327 295 F C -0.372 175.404 175.800 -0.039 0.000 1.103 295 F CA -0.526 57.442 58.000 -0.052 0.000 0.949 295 F CB 1.526 40.582 39.000 0.094 0.000 1.142 295 F HN 0.718 nan 8.300 nan 0.000 0.457 296 D N 1.569 121.472 120.400 -0.828 0.000 2.592 296 D HA 0.674 5.314 4.640 -0.000 0.000 0.263 296 D C -1.417 174.408 176.300 -0.791 0.000 1.132 296 D CA -0.953 52.690 54.000 -0.594 0.000 0.996 296 D CB 1.837 42.596 40.800 -0.069 0.000 1.442 296 D HN 0.511 nan 8.370 nan 0.000 0.486 297 S N -0.868 114.654 115.700 -0.297 0.000 3.759 297 S HA 0.447 4.917 4.470 -0.000 0.000 0.780 297 S C 0.414 175.067 174.600 0.088 0.000 0.456 297 S CA 0.198 58.328 58.200 -0.118 0.000 1.341 297 S CB -1.312 61.802 63.200 -0.143 0.000 0.718 297 S HN 1.827 nan 8.310 nan 0.000 1.008 298 G N -0.180 108.722 108.800 0.171 0.000 2.205 298 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.180 298 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.180 298 G C -0.039 175.138 174.900 0.462 0.000 1.004 298 G CA -0.242 45.057 45.100 0.331 0.000 0.670 298 G HN 1.439 nan 8.290 nan 0.000 0.496 299 V N 1.999 122.119 119.914 0.343 0.000 2.446 299 V HA 0.405 4.525 4.120 -0.000 0.000 0.276 299 V C 1.306 177.521 176.094 0.203 0.000 1.030 299 V CA 0.258 62.677 62.300 0.199 0.000 1.033 299 V CB 1.058 32.939 31.823 0.097 0.000 0.993 299 V HN 0.341 nan 8.190 nan 0.000 0.477 300 R N 3.714 124.400 120.500 0.309 0.000 2.544 300 R HA 0.367 4.707 4.340 -0.000 0.000 0.303 300 R C 0.411 176.629 176.300 -0.137 0.000 0.939 300 R CA -0.040 56.112 56.100 0.088 0.000 1.102 300 R CB 0.926 30.988 30.300 -0.397 0.000 1.440 300 R HN 0.595 nan 8.270 nan 0.000 0.532 301 R N -1.709 118.624 120.500 -0.279 0.000 2.799 301 R HA 0.396 4.736 4.340 -0.000 0.000 0.270 301 R C 0.830 176.875 176.300 -0.425 0.000 1.010 301 R CA -0.277 55.472 56.100 -0.585 0.000 0.916 301 R CB 1.045 30.805 30.300 -0.900 0.000 1.228 301 R HN -0.006 nan 8.270 nan 0.000 0.469 302 G N 0.436 108.984 108.800 -0.419 0.000 2.422 302 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 302 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 302 G C 0.726 175.492 174.900 -0.224 0.000 1.140 302 G CA 0.690 45.647 45.100 -0.238 0.000 0.775 302 G HN 0.538 nan 8.290 nan 0.000 0.545 303 E N 0.214 120.219 120.200 -0.326 0.000 2.118 303 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 303 E C 2.070 178.524 176.600 -0.243 0.000 0.992 303 E CA 1.155 57.405 56.400 -0.249 0.000 0.804 303 E CB -0.339 29.215 29.700 -0.243 0.000 0.741 303 E HN 0.750 nan 8.360 nan 0.000 0.458 304 H N -1.002 117.753 119.070 -0.525 0.000 2.395 304 H HA -0.009 4.547 4.556 -0.000 0.000 0.299 304 H C 2.019 177.000 175.328 -0.579 0.000 1.070 304 H CA 0.795 56.200 56.048 -1.073 0.000 1.356 304 H CB 0.201 28.934 29.762 -1.714 0.000 1.401 304 H HN -0.023 nan 8.280 nan 0.000 0.524 305 V N 1.227 121.049 119.914 -0.154 0.000 2.343 305 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 305 V C 2.682 178.788 176.094 0.020 0.000 1.051 305 V CA 1.705 64.006 62.300 0.002 0.000 1.036 305 V CB -0.832 31.048 31.823 0.096 0.000 0.654 305 V HN 0.540 nan 8.190 nan 0.000 0.451 306 A N -0.287 122.527 122.820 -0.010 0.000 1.873 306 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 306 A C 2.293 179.912 177.584 0.059 0.000 1.186 306 A CA 1.993 54.044 52.037 0.024 0.000 0.616 306 A CB -0.461 18.543 19.000 0.007 0.000 0.823 306 A HN 0.525 nan 8.150 nan 0.000 0.442 307 K N -0.271 120.156 120.400 0.046 0.000 2.063 307 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 307 K C 2.288 179.025 176.600 0.228 0.000 1.048 307 K CA 1.225 57.591 56.287 0.131 0.000 0.928 307 K CB -0.330 32.203 32.500 0.053 0.000 0.713 307 K HN 0.456 nan 8.250 nan 0.000 0.442 308 A N 0.940 123.849 122.820 0.149 0.000 1.877 308 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 308 A C 2.036 179.692 177.584 0.120 0.000 1.186 308 A CA 1.267 53.382 52.037 0.129 0.000 0.620 308 A CB -0.535 18.470 19.000 0.008 0.000 0.822 308 A HN 0.103 nan 8.150 nan 0.000 0.443 309 L N -0.267 121.020 121.223 0.107 0.000 2.042 309 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 309 L C 2.897 179.824 176.870 0.097 0.000 1.076 309 L CA 1.993 56.889 54.840 0.094 0.000 0.749 309 L CB -0.775 41.332 42.059 0.079 0.000 0.893 309 L HN 0.395 nan 8.230 nan 0.000 0.432 310 A N -2.213 120.676 122.820 0.115 0.000 2.168 310 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 310 A C 2.212 179.867 177.584 0.118 0.000 1.152 310 A CA 1.470 53.577 52.037 0.116 0.000 0.716 310 A CB -0.371 18.709 19.000 0.134 0.000 0.794 310 A HN 0.399 nan 8.150 nan 0.000 0.465 311 S N -1.919 113.862 115.700 0.135 0.000 2.540 311 S HA 0.415 4.885 4.470 -0.000 0.000 0.218 311 S C 1.199 175.823 174.600 0.041 0.000 0.977 311 S CA 0.589 58.840 58.200 0.085 0.000 0.918 311 S CB 0.523 63.784 63.200 0.102 0.000 0.806 311 S HN 1.412 nan 8.310 nan 0.000 0.496 312 G N 0.970 109.807 108.800 0.062 0.000 2.205 312 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.180 312 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.180 312 G C 0.102 175.049 174.900 0.077 0.000 1.004 312 G CA -0.286 44.848 45.100 0.058 0.000 0.670 312 G HN 0.717 nan 8.290 nan 0.000 0.496 313 A N 0.047 122.920 122.820 0.089 0.000 2.286 313 A HA 0.681 5.001 4.320 -0.000 0.000 0.286 313 A C 0.885 178.527 177.584 0.098 0.000 1.097 313 A CA 0.513 52.619 52.037 0.114 0.000 0.821 313 A CB 0.604 19.695 19.000 0.151 0.000 1.076 313 A HN 0.087 nan 8.150 nan 0.000 0.490 314 D N -0.835 119.623 120.400 0.096 0.000 2.394 314 D HA 0.161 4.801 4.640 -0.000 0.000 0.226 314 D C 0.495 176.833 176.300 0.064 0.000 0.990 314 D CA 1.659 55.709 54.000 0.083 0.000 0.902 314 D CB 0.577 41.438 40.800 0.101 0.000 1.038 314 D HN 0.502 nan 8.370 nan 0.000 0.499 315 V N -0.990 118.952 119.914 0.046 0.000 3.159 315 V HA 0.651 4.771 4.120 -0.000 0.000 0.308 315 V C -0.222 175.879 176.094 0.013 0.000 1.190 315 V CA -1.131 61.177 62.300 0.014 0.000 1.037 315 V CB 1.985 33.780 31.823 -0.047 0.000 1.060 315 V HN -0.101 nan 8.190 nan 0.000 0.437 316 V N -0.619 119.324 119.914 0.048 0.000 2.850 316 V HA 1.042 5.161 4.120 -0.000 0.000 0.315 316 V C 0.298 176.338 176.094 -0.089 0.000 1.064 316 V CA -0.185 62.147 62.300 0.052 0.000 0.979 316 V CB 1.280 33.206 31.823 0.172 0.000 1.039 316 V HN 2.030 nan 8.190 nan 0.000 0.452 317 A N 3.743 126.467 122.820 -0.159 0.000 2.330 317 A HA 0.854 5.174 4.320 -0.000 0.000 0.327 317 A C -0.614 176.880 177.584 -0.151 0.000 1.155 317 A CA -0.802 51.145 52.037 -0.149 0.000 0.803 317 A CB 0.897 19.854 19.000 -0.072 0.000 1.208 317 A HN 0.958 nan 8.150 nan 0.000 0.477 318 L N 2.365 123.449 121.223 -0.232 0.000 2.334 318 L HA 0.698 5.038 4.340 -0.000 0.000 0.275 318 L C 1.051 177.776 176.870 -0.242 0.000 1.036 318 L CA -0.273 54.346 54.840 -0.369 0.000 0.807 318 L CB 1.820 43.469 42.059 -0.683 0.000 1.231 318 L HN 0.897 nan 8.230 nan 0.000 0.438 319 G N 0.758 109.412 108.800 -0.243 0.000 3.054 319 G HA2 0.191 4.151 3.960 -0.000 0.000 0.201 319 G HA3 0.191 4.151 3.960 -0.000 0.000 0.201 319 G C 0.948 175.672 174.900 -0.294 0.000 1.694 319 G CA -0.343 44.626 45.100 -0.219 0.000 0.742 319 G HN 0.541 nan 8.290 nan 0.000 0.790 320 R N 1.218 121.504 120.500 -0.356 0.000 2.133 320 R HA -0.141 4.199 4.340 -0.000 0.000 0.245 320 R C -0.182 175.738 176.300 -0.633 0.000 1.137 320 R CA 2.284 57.995 56.100 -0.647 0.000 0.947 320 R CB -1.348 28.571 30.300 -0.635 0.000 0.865 320 R HN 0.265 nan 8.270 nan 0.000 0.437 321 P HA -0.169 nan 4.420 nan 0.000 0.216 321 P C 1.409 178.676 177.300 -0.055 0.000 1.154 321 P CA 1.335 64.415 63.100 -0.034 0.000 0.865 321 P CB -0.027 31.721 31.700 0.080 0.000 0.789 322 V N -1.387 118.437 119.914 -0.149 0.000 2.453 322 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 322 V C 2.368 178.385 176.094 -0.128 0.000 1.048 322 V CA 1.238 63.465 62.300 -0.122 0.000 1.049 322 V CB -1.132 30.596 31.823 -0.157 0.000 0.672 322 V HN 0.034 nan 8.190 nan 0.000 0.457 323 L N -0.847 120.229 121.223 -0.246 0.000 2.109 323 L HA -0.012 4.328 4.340 -0.000 0.000 0.207 323 L C 2.178 179.016 176.870 -0.053 0.000 1.086 323 L CA 1.816 56.513 54.840 -0.237 0.000 0.760 323 L CB -0.569 41.262 42.059 -0.380 0.000 0.910 323 L HN 0.198 nan 8.230 nan 0.000 0.437 324 F N -0.325 119.618 119.950 -0.012 0.000 2.134 324 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 324 F C 2.500 178.308 175.800 0.013 0.000 1.097 324 F CA 0.904 58.924 58.000 0.033 0.000 1.264 324 F CB -1.741 37.278 39.000 0.031 0.000 1.001 324 F HN 0.132 nan 8.300 nan 0.000 0.479 325 G N 0.127 109.018 108.800 0.152 0.000 2.446 325 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 325 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 325 G C 1.787 176.703 174.900 0.027 0.000 1.168 325 G CA 0.969 46.107 45.100 0.063 0.000 0.771 325 G HN 0.340 nan 8.290 nan 0.000 0.551 326 L N 1.244 122.476 121.223 0.015 0.000 2.042 326 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 326 L C 3.138 180.014 176.870 0.010 0.000 1.076 326 L CA 2.172 56.993 54.840 -0.032 0.000 0.749 326 L CB -0.468 41.595 42.059 0.006 0.000 0.893 326 L HN 0.255 nan 8.230 nan 0.000 0.432 327 A N -0.800 122.109 122.820 0.148 0.000 1.933 327 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 327 A C 2.165 179.861 177.584 0.187 0.000 1.175 327 A CA 2.017 54.197 52.037 0.239 0.000 0.628 327 A CB -0.794 18.376 19.000 0.283 0.000 0.814 327 A HN 0.502 nan 8.150 nan 0.000 0.444 328 L N -2.116 119.168 121.223 0.101 0.000 2.446 328 L HA 0.193 4.533 4.340 -0.000 0.000 0.219 328 L C 1.749 178.625 176.870 0.009 0.000 1.116 328 L CA 0.755 55.628 54.840 0.054 0.000 0.844 328 L CB 0.135 42.213 42.059 0.032 0.000 0.970 328 L HN 0.506 nan 8.230 nan 0.000 0.457 329 G N -1.725 107.039 108.800 -0.060 0.000 4.490 329 G HA2 0.397 4.357 3.960 -0.000 0.000 0.233 329 G HA3 0.397 4.357 3.960 -0.000 0.000 0.233 329 G C 0.594 175.294 174.900 -0.332 0.000 1.027 329 G CA 0.189 45.195 45.100 -0.156 0.000 0.829 329 G HN 0.359 nan 8.290 nan 0.000 0.343 330 G N 0.876 109.352 108.800 -0.539 0.000 2.547 330 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.271 330 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.271 330 G C 1.366 176.112 174.900 -0.255 0.000 1.209 330 G CA 0.843 45.486 45.100 -0.760 0.000 0.959 330 G HN 1.101 nan 8.290 nan 0.000 0.563 331 W N 0.899 122.079 121.300 -0.200 0.000 2.342 331 W HA -0.070 4.590 4.660 0.000 0.000 0.297 331 W C 2.015 178.500 176.519 -0.057 0.000 1.213 331 W CA 1.808 59.109 57.345 -0.073 0.000 1.251 331 W CB -0.681 28.758 29.460 -0.036 0.000 1.136 331 W HN 0.676 nan 8.180 nan 0.000 0.526 332 Q N 0.615 119.801 119.800 -1.024 0.000 2.137 332 Q HA -0.002 4.338 4.340 -0.000 0.000 0.198 332 Q C 2.772 178.493 176.000 -0.464 0.000 0.960 332 Q CA 1.472 56.502 55.803 -1.288 0.000 0.847 332 Q CB -0.596 26.942 28.738 -2.000 0.000 0.915 332 Q HN 0.437 nan 8.270 nan 0.000 0.448 333 G N 1.071 109.681 108.800 -0.317 0.000 2.421 333 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 333 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 333 G C 1.511 176.407 174.900 -0.008 0.000 1.171 333 G CA 0.887 45.923 45.100 -0.107 0.000 0.775 333 G HN 0.402 nan 8.290 nan 0.000 0.543 334 A N -0.158 122.663 122.820 0.002 0.000 1.898 334 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 334 A C 2.195 179.842 177.584 0.105 0.000 1.181 334 A CA 1.639 53.708 52.037 0.053 0.000 0.620 334 A CB -0.689 18.358 19.000 0.078 0.000 0.819 334 A HN 0.457 nan 8.150 nan 0.000 0.442 335 Y N 1.333 121.685 120.300 0.087 0.000 2.128 335 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 335 Y C 2.766 178.769 175.900 0.170 0.000 1.154 335 Y CA 1.929 60.139 58.100 0.183 0.000 1.149 335 Y CB -0.331 38.295 38.460 0.276 0.000 0.976 335 Y HN 0.317 nan 8.280 nan 0.000 0.505 336 S N -0.680 115.200 115.700 0.299 0.000 2.387 336 S HA -0.224 4.246 4.470 -0.000 0.000 0.230 336 S C 2.048 176.700 174.600 0.085 0.000 1.035 336 S CA 1.511 59.839 58.200 0.214 0.000 1.014 336 S CB -0.702 62.616 63.200 0.196 0.000 0.836 336 S HN 0.347 nan 8.310 nan 0.000 0.466 337 V N 1.931 121.872 119.914 0.045 0.000 2.379 337 V HA -0.111 4.009 4.120 -0.000 0.000 0.245 337 V C 2.155 178.295 176.094 0.077 0.000 1.044 337 V CA 1.363 63.701 62.300 0.064 0.000 1.036 337 V CB -0.743 31.108 31.823 0.048 0.000 0.664 337 V HN 0.419 nan 8.190 nan 0.000 0.453 338 L N 0.218 121.342 121.223 -0.166 0.000 2.017 338 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 338 L C 2.415 179.055 176.870 -0.383 0.000 1.073 338 L CA 2.271 56.820 54.840 -0.485 0.000 0.745 338 L CB -0.774 40.770 42.059 -0.860 0.000 0.894 338 L HN 0.408 nan 8.230 nan 0.000 0.432 339 D N -0.827 119.421 120.400 -0.253 0.000 2.182 339 D HA -0.279 4.361 4.640 -0.000 0.000 0.201 339 D C 2.061 178.417 176.300 0.093 0.000 0.986 339 D CA 1.083 55.099 54.000 0.027 0.000 0.847 339 D CB -0.054 40.749 40.800 0.005 0.000 0.942 339 D HN 0.331 nan 8.370 nan 0.000 0.467 340 Y N -0.199 120.069 120.300 -0.054 0.000 2.114 340 Y HA -0.179 4.371 4.550 -0.000 0.000 0.284 340 Y C 1.764 177.580 175.900 -0.140 0.000 1.143 340 Y CA 1.685 59.716 58.100 -0.116 0.000 1.135 340 Y CB -0.685 37.654 38.460 -0.202 0.000 0.980 340 Y HN -0.019 nan 8.280 nan 0.000 0.499 341 F N 0.750 120.559 119.950 -0.234 0.000 2.171 341 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 341 F C 2.657 178.409 175.800 -0.080 0.000 1.090 341 F CA 1.832 59.615 58.000 -0.361 0.000 1.293 341 F CB -0.656 37.937 39.000 -0.679 0.000 1.013 341 F HN 0.251 nan 8.300 nan 0.000 0.486 342 Q N 1.056 121.044 119.800 0.314 0.000 2.079 342 Q HA -0.185 4.155 4.340 -0.000 0.000 0.200 342 Q C 1.785 177.843 176.000 0.096 0.000 0.974 342 Q CA 1.864 57.866 55.803 0.332 0.000 0.840 342 Q CB -0.356 28.686 28.738 0.507 0.000 0.898 342 Q HN 0.277 nan 8.270 nan 0.000 0.430 343 K N -0.041 120.355 120.400 -0.007 0.000 2.103 343 K HA -0.109 4.211 4.320 -0.000 0.000 0.204 343 K C 1.855 178.343 176.600 -0.186 0.000 1.052 343 K CA 1.257 57.496 56.287 -0.080 0.000 0.945 343 K CB -0.127 32.327 32.500 -0.077 0.000 0.722 343 K HN 0.281 nan 8.250 nan 0.000 0.443 344 D N 0.866 121.034 120.400 -0.387 0.000 2.117 344 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 344 D C 1.712 177.860 176.300 -0.253 0.000 0.987 344 D CA 0.650 54.365 54.000 -0.475 0.000 0.829 344 D CB 0.053 40.292 40.800 -0.935 0.000 0.961 344 D HN -0.042 nan 8.370 nan 0.000 0.460 345 L N 0.126 121.264 121.223 -0.143 0.000 2.046 345 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 345 L C 2.175 179.024 176.870 -0.035 0.000 1.077 345 L CA 1.721 56.536 54.840 -0.042 0.000 0.747 345 L CB -0.956 41.146 42.059 0.072 0.000 0.896 345 L HN 0.010 nan 8.230 nan 0.000 0.432 346 T N -0.324 114.213 114.554 -0.029 0.000 2.759 346 T HA -0.241 4.109 4.350 -0.000 0.000 0.269 346 T C 1.973 176.650 174.700 -0.038 0.000 1.042 346 T CA 1.646 63.732 62.100 -0.024 0.000 1.140 346 T CB -0.316 68.543 68.868 -0.015 0.000 0.864 346 T HN 0.375 nan 8.240 nan 0.000 0.455 347 R N 0.800 121.262 120.500 -0.064 0.000 2.070 347 R HA -0.087 4.253 4.340 -0.000 0.000 0.233 347 R C 2.339 178.606 176.300 -0.055 0.000 1.137 347 R CA 1.413 57.475 56.100 -0.063 0.000 0.945 347 R CB -0.659 29.590 30.300 -0.085 0.000 0.845 347 R HN 0.252 nan 8.270 nan 0.000 0.430 348 V N 1.546 121.419 119.914 -0.068 0.000 2.324 348 V HA -0.307 3.813 4.120 -0.000 0.000 0.250 348 V C 2.495 178.576 176.094 -0.022 0.000 1.060 348 V CA 2.170 64.439 62.300 -0.052 0.000 1.042 348 V CB -0.414 31.366 31.823 -0.071 0.000 0.650 348 V HN 0.417 nan 8.190 nan 0.000 0.450 349 M N -0.966 118.624 119.600 -0.017 0.000 2.175 349 M HA -0.201 4.279 4.480 -0.000 0.000 0.264 349 M C 2.338 178.638 176.300 -0.001 0.000 1.063 349 M CA 1.766 57.065 55.300 -0.001 0.000 1.119 349 M CB -0.339 32.261 32.600 0.001 0.000 1.377 349 M HN 0.298 nan 8.290 nan 0.000 0.415 350 Q N 0.806 120.600 119.800 -0.009 0.000 2.046 350 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 350 Q C 1.692 177.691 176.000 -0.003 0.000 0.975 350 Q CA 1.711 57.510 55.803 -0.007 0.000 0.836 350 Q CB -0.232 28.498 28.738 -0.014 0.000 0.896 350 Q HN 0.321 nan 8.270 nan 0.000 0.428 351 L N -0.072 121.147 121.223 -0.007 0.000 2.217 351 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 351 L C 2.192 179.071 176.870 0.017 0.000 1.107 351 L CA 2.078 56.917 54.840 -0.001 0.000 0.783 351 L CB -1.037 41.014 42.059 -0.013 0.000 0.919 351 L HN 0.512 nan 8.230 nan 0.000 0.442 352 T N -4.609 109.959 114.554 0.023 0.000 3.060 352 T HA 0.328 4.678 4.350 -0.000 0.000 0.249 352 T C 1.324 176.049 174.700 0.041 0.000 1.079 352 T CA 0.360 62.488 62.100 0.047 0.000 1.013 352 T CB 0.133 69.034 68.868 0.056 0.000 0.975 352 T HN 0.358 nan 8.240 nan 0.000 0.518 353 G N 1.133 109.948 108.800 0.025 0.000 2.171 353 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.238 353 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.238 353 G C -0.092 174.820 174.900 0.020 0.000 1.039 353 G CA -0.048 45.064 45.100 0.020 0.000 0.759 353 G HN 0.732 nan 8.290 nan 0.000 0.501 354 S N -0.260 115.452 115.700 0.020 0.000 2.422 354 S HA 0.474 4.944 4.470 -0.000 0.000 0.308 354 S C 0.895 175.503 174.600 0.013 0.000 1.097 354 S CA -0.174 58.039 58.200 0.020 0.000 1.099 354 S CB 1.857 65.073 63.200 0.026 0.000 0.976 354 S HN 0.447 nan 8.310 nan 0.000 0.471 355 Q N 3.400 123.207 119.800 0.011 0.000 2.137 355 Q HA 0.007 4.347 4.340 -0.000 0.000 0.198 355 Q C 0.295 176.298 176.000 0.005 0.000 0.960 355 Q CA 1.512 57.319 55.803 0.006 0.000 0.847 355 Q CB 0.145 28.887 28.738 0.005 0.000 0.915 355 Q HN 0.858 nan 8.270 nan 0.000 0.448 356 N N -3.312 115.393 118.700 0.008 0.000 2.831 356 N HA 0.218 4.958 4.740 -0.000 0.000 0.276 356 N C 0.109 175.627 175.510 0.013 0.000 1.416 356 N CA -0.221 52.833 53.050 0.007 0.000 0.799 356 N CB 0.473 38.963 38.487 0.005 0.000 1.554 356 N HN -0.203 nan 8.380 nan 0.000 0.541 357 V N -0.486 119.434 119.914 0.011 0.000 2.407 357 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 357 V C 2.201 178.311 176.094 0.027 0.000 1.055 357 V CA 2.185 64.495 62.300 0.018 0.000 1.049 357 V CB -0.909 30.921 31.823 0.010 0.000 0.662 357 V HN 0.815 nan 8.190 nan 0.000 0.455 358 E N 0.482 120.696 120.200 0.024 0.000 2.153 358 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 358 E C 1.751 178.369 176.600 0.030 0.000 0.988 358 E CA 1.403 57.819 56.400 0.028 0.000 0.811 358 E CB -0.316 29.398 29.700 0.023 0.000 0.746 358 E HN 0.580 nan 8.360 nan 0.000 0.466 359 D N -0.338 120.078 120.400 0.027 0.000 2.144 359 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 359 D C 1.930 178.254 176.300 0.039 0.000 0.984 359 D CA 0.731 54.748 54.000 0.030 0.000 0.834 359 D CB -0.167 40.648 40.800 0.024 0.000 0.955 359 D HN 0.256 nan 8.370 nan 0.000 0.465 360 L N 0.503 121.750 121.223 0.040 0.000 2.083 360 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 360 L C 2.140 179.047 176.870 0.061 0.000 1.083 360 L CA 1.166 56.037 54.840 0.051 0.000 0.752 360 L CB -0.264 41.824 42.059 0.048 0.000 0.899 360 L HN -0.032 nan 8.230 nan 0.000 0.433 361 K N -0.224 120.210 120.400 0.056 0.000 2.442 361 K HA -0.060 4.260 4.320 -0.000 0.000 0.198 361 K C 1.698 178.333 176.600 0.060 0.000 1.042 361 K CA 0.878 57.201 56.287 0.060 0.000 0.958 361 K CB -0.166 32.366 32.500 0.053 0.000 0.766 361 K HN 0.391 nan 8.250 nan 0.000 0.474 362 G N 0.518 109.352 108.800 0.057 0.000 3.159 362 G HA2 0.113 4.073 3.960 -0.000 0.000 0.232 362 G HA3 0.113 4.073 3.960 -0.000 0.000 0.232 362 G C 0.305 175.246 174.900 0.069 0.000 1.116 362 G CA -0.420 44.713 45.100 0.055 0.000 0.767 362 G HN 0.023 nan 8.290 nan 0.000 0.547 363 L N 1.779 123.052 121.223 0.083 0.000 2.540 363 L HA 0.072 4.412 4.340 -0.000 0.000 0.276 363 L C -0.162 176.790 176.870 0.137 0.000 1.212 363 L CA -0.378 54.528 54.840 0.109 0.000 0.893 363 L CB 0.375 42.505 42.059 0.120 0.000 1.138 363 L HN 0.017 nan 8.230 nan 0.000 0.491 364 D N 3.782 124.280 120.400 0.163 0.000 2.424 364 D HA 0.337 4.977 4.640 -0.000 0.000 0.244 364 D C -0.205 176.301 176.300 0.343 0.000 1.134 364 D CA 0.340 54.477 54.000 0.229 0.000 0.881 364 D CB 0.850 41.780 40.800 0.216 0.000 1.191 364 D HN 0.230 nan 8.370 nan 0.000 0.445 365 L N 2.093 123.494 121.223 0.297 0.000 2.362 365 L HA 0.410 4.750 4.340 -0.000 0.000 0.271 365 L C -0.341 176.662 176.870 0.222 0.000 1.002 365 L CA -1.145 53.840 54.840 0.241 0.000 0.818 365 L CB 1.712 43.888 42.059 0.196 0.000 1.298 365 L HN 0.261 nan 8.230 nan 0.000 0.420 366 F N 2.395 122.255 119.950 -0.150 0.000 2.421 366 F HA 0.203 4.730 4.527 -0.000 0.000 0.358 366 F C 0.572 176.365 175.800 -0.012 0.000 1.115 366 F CA -0.343 57.550 58.000 -0.179 0.000 1.160 366 F CB 0.577 39.259 39.000 -0.530 0.000 1.123 366 F HN 0.414 nan 8.300 nan 0.000 0.508 367 D N 4.747 125.006 120.400 -0.235 0.000 2.371 367 D HA -0.048 4.592 4.640 -0.000 0.000 0.256 367 D C -0.599 175.639 176.300 -0.102 0.000 1.193 367 D CA 0.384 54.300 54.000 -0.141 0.000 0.881 367 D CB 0.613 41.295 40.800 -0.196 0.000 1.143 367 D HN 0.488 nan 8.370 nan 0.000 0.473 368 N N 3.882 122.671 118.700 0.150 0.000 2.707 368 N HA 0.176 4.916 4.740 -0.000 0.000 0.235 368 N C -1.885 173.670 175.510 0.074 0.000 1.028 368 N CA -1.773 51.429 53.050 0.252 0.000 0.906 368 N CB 1.248 40.018 38.487 0.471 0.000 1.131 368 N HN 0.082 nan 8.380 nan 0.000 0.509 369 P HA -0.041 nan 4.420 nan 0.000 0.237 369 P C 0.342 177.470 177.300 -0.287 0.000 1.178 369 P CA 0.700 63.644 63.100 -0.261 0.000 0.766 369 P CB 0.090 31.558 31.700 -0.387 0.000 0.876 370 Y N 0.509 120.789 120.300 -0.033 0.000 2.457 370 Y HA 0.196 4.746 4.550 -0.000 0.000 0.292 370 Y C 2.077 178.018 175.900 0.068 0.000 1.125 370 Y CA 0.973 59.054 58.100 -0.032 0.000 1.254 370 Y CB -0.835 37.520 38.460 -0.175 0.000 1.012 370 Y HN 0.094 nan 8.280 nan 0.000 0.555 371 G N -0.110 108.847 108.800 0.261 0.000 2.553 371 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.242 371 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.242 371 G C 0.557 175.702 174.900 0.408 0.000 1.277 371 G CA 0.355 45.651 45.100 0.328 0.000 0.910 371 G HN 0.258 nan 8.290 nan 0.000 0.576 372 Y N 1.346 121.801 120.300 0.258 0.000 2.263 372 Y HA 0.114 4.664 4.550 -0.000 0.000 0.292 372 Y C 2.908 178.922 175.900 0.191 0.000 1.130 372 Y CA 2.462 60.684 58.100 0.203 0.000 1.179 372 Y CB 0.185 38.725 38.460 0.134 0.000 0.998 372 Y HN 0.446 nan 8.280 nan 0.000 0.532 373 E N -0.935 119.418 120.200 0.255 0.000 2.478 373 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 373 E C -0.422 176.287 176.600 0.182 0.000 1.045 373 E CA 0.259 56.759 56.400 0.166 0.000 0.868 373 E CB -0.335 29.475 29.700 0.182 0.000 0.885 373 E HN 0.398 nan 8.360 nan 0.000 0.505 374 Y N 0.000 120.323 120.300 0.038 0.000 2.660 374 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 374 Y CA 0.000 58.092 58.100 -0.013 0.000 1.940 374 Y CB 0.000 38.411 38.460 -0.082 0.000 1.050 374 Y HN 0.000 nan 8.280 nan 0.000 0.758