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 1mcz_1_D DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.672 177.584 0.147 0.000 1.274 2 A CA 0.000 52.114 52.037 0.129 0.000 0.836 2 A CB 0.000 19.096 19.000 0.160 0.000 0.831 3 S N -0.468 115.340 115.700 0.181 0.000 2.687 3 S HA 0.540 5.017 4.470 0.011 0.000 0.283 3 S C 1.016 175.781 174.600 0.275 0.000 1.170 3 S CA 0.016 58.345 58.200 0.215 0.000 1.008 3 S CB 1.162 64.505 63.200 0.238 0.000 1.026 3 S HN 1.440 nan 8.310 nan 0.000 0.541 4 V N 1.629 121.713 119.914 0.284 0.000 2.392 4 V HA -0.208 3.919 4.120 0.011 0.000 0.249 4 V C 2.555 178.958 176.094 0.515 0.000 1.059 4 V CA 2.299 64.782 62.300 0.307 0.000 1.051 4 V CB -1.418 30.514 31.823 0.181 0.000 0.658 4 V HN 1.043 nan 8.190 nan 0.000 0.455 5 H N 0.831 120.221 119.070 0.533 0.000 2.253 5 H HA -0.171 4.392 4.556 0.010 0.000 0.296 5 H C 2.327 177.896 175.328 0.403 0.000 1.074 5 H CA 2.357 58.737 56.048 0.553 0.000 1.263 5 H CB -0.551 29.437 29.762 0.377 0.000 1.363 5 H HN 0.406 nan 8.280 nan 0.000 0.489 6 G N -0.484 108.589 108.800 0.455 0.000 2.446 6 G HA2 -0.272 3.694 3.960 0.011 0.000 0.217 6 G HA3 -0.272 3.694 3.960 0.011 0.000 0.217 6 G C 1.823 176.863 174.900 0.234 0.000 1.168 6 G CA 1.537 46.815 45.100 0.297 0.000 0.771 6 G HN 0.476 nan 8.290 nan 0.000 0.551 7 T N 0.921 115.646 114.554 0.285 0.000 2.788 7 T HA -0.117 4.240 4.350 0.011 0.000 0.268 7 T C 2.619 177.521 174.700 0.335 0.000 1.044 7 T CA 1.789 64.099 62.100 0.350 0.000 1.139 7 T CB -0.484 68.590 68.868 0.342 0.000 0.867 7 T HN 0.308 nan 8.240 nan 0.000 0.454 8 T N 0.850 115.571 114.554 0.277 0.000 2.737 8 T HA -0.065 4.292 4.350 0.011 0.000 0.265 8 T C 1.643 176.347 174.700 0.007 0.000 1.038 8 T CA 1.123 63.343 62.100 0.199 0.000 1.144 8 T CB -0.533 68.523 68.868 0.313 0.000 0.866 8 T HN 0.444 nan 8.240 nan 0.000 0.434 9 Y N 1.197 121.438 120.300 -0.099 0.000 2.274 9 Y HA -0.094 4.462 4.550 0.010 0.000 0.290 9 Y C 2.650 178.481 175.900 -0.116 0.000 1.145 9 Y CA 1.142 59.067 58.100 -0.292 0.000 1.203 9 Y CB -0.124 37.982 38.460 -0.589 0.000 0.984 9 Y HN 0.176 nan 8.280 nan 0.000 0.533 10 E N 0.532 120.749 120.200 0.028 0.000 2.072 10 E HA -0.190 4.167 4.350 0.011 0.000 0.191 10 E C 2.019 178.490 176.600 -0.214 0.000 0.985 10 E CA 1.004 57.291 56.400 -0.188 0.000 0.801 10 E CB -0.543 28.881 29.700 -0.460 0.000 0.750 10 E HN 0.347 nan 8.360 nan 0.000 0.452 11 L N 0.281 121.526 121.223 0.036 0.000 2.012 11 L HA -0.129 4.218 4.340 0.011 0.000 0.210 11 L C 2.168 179.119 176.870 0.135 0.000 1.073 11 L CA 1.739 56.731 54.840 0.254 0.000 0.748 11 L CB -0.668 41.616 42.059 0.374 0.000 0.891 11 L HN 0.280 nan 8.230 nan 0.000 0.431 12 L N -0.312 120.972 121.223 0.102 0.000 1.989 12 L HA -0.251 4.096 4.340 0.011 0.000 0.211 12 L C 2.909 179.858 176.870 0.131 0.000 1.071 12 L CA 2.122 57.027 54.840 0.109 0.000 0.749 12 L CB -0.732 41.369 42.059 0.071 0.000 0.890 12 L HN 0.424 nan 8.230 nan 0.000 0.431 13 R N -0.319 120.298 120.500 0.197 0.000 2.081 13 R HA -0.120 4.227 4.340 0.011 0.000 0.235 13 R C 2.242 178.535 176.300 -0.011 0.000 1.131 13 R CA 0.886 57.007 56.100 0.036 0.000 0.960 13 R CB -0.507 29.840 30.300 0.080 0.000 0.856 13 R HN 0.185 nan 8.270 nan 0.000 0.436 14 R N 0.637 121.132 120.500 -0.008 0.000 2.193 14 R HA -0.014 4.333 4.340 0.011 0.000 0.229 14 R C 1.430 177.763 176.300 0.056 0.000 1.110 14 R CA 0.892 56.998 56.100 0.009 0.000 0.988 14 R CB -0.118 30.183 30.300 0.002 0.000 0.871 14 R HN 0.436 nan 8.270 nan 0.000 0.458 15 Q N -0.601 119.233 119.800 0.057 0.000 2.246 15 Q HA 0.152 4.499 4.340 0.011 0.000 0.202 15 Q C 0.691 176.705 176.000 0.022 0.000 0.883 15 Q CA 0.401 56.232 55.803 0.048 0.000 0.952 15 Q CB 0.952 29.709 28.738 0.032 0.000 1.078 15 Q HN 0.526 nan 8.270 nan 0.000 0.493 16 G N 1.122 109.924 108.800 0.003 0.000 2.176 16 G HA2 -0.262 3.704 3.960 0.011 0.000 0.253 16 G HA3 -0.262 3.704 3.960 0.011 0.000 0.253 16 G C 0.238 175.115 174.900 -0.039 0.000 0.979 16 G CA -0.080 45.009 45.100 -0.018 0.000 0.641 16 G HN 0.355 nan 8.290 nan 0.000 0.530 17 I N 1.501 122.046 120.570 -0.042 0.000 2.365 17 I HA 0.447 4.624 4.170 0.011 0.000 0.291 17 I C 0.669 176.572 176.117 -0.357 0.000 1.004 17 I CA 0.134 61.404 61.300 -0.050 0.000 1.311 17 I CB 1.351 39.390 38.000 0.066 0.000 1.401 17 I HN 0.247 nan 8.210 nan 0.000 0.491 18 D N 1.525 121.693 120.400 -0.386 0.000 2.530 18 D HA 0.078 4.725 4.640 0.011 0.000 0.253 18 D C -0.131 175.942 176.300 -0.379 0.000 1.338 18 D CA -0.040 53.465 54.000 -0.826 0.000 0.806 18 D CB 0.479 40.946 40.800 -0.555 0.000 1.160 18 D HN 0.282 nan 8.370 nan 0.000 0.514 19 T N 0.213 114.705 114.554 -0.103 0.000 2.886 19 T HA 0.584 4.940 4.350 0.011 0.000 0.292 19 T C -0.853 173.851 174.700 0.006 0.000 1.012 19 T CA -0.600 61.424 62.100 -0.127 0.000 0.982 19 T CB 2.535 71.159 68.868 -0.406 0.000 1.018 19 T HN -0.116 nan 8.240 nan 0.000 0.451 20 V N 3.924 123.841 119.914 0.006 0.000 2.378 20 V HA 0.511 4.638 4.120 0.011 0.000 0.288 20 V C -1.014 174.865 176.094 -0.359 0.000 1.016 20 V CA -0.846 61.570 62.300 0.193 0.000 0.840 20 V CB 0.695 32.866 31.823 0.580 0.000 0.994 20 V HN 0.794 nan 8.190 nan 0.000 0.431 21 F N 3.204 123.108 119.950 -0.078 0.000 2.415 21 F HA 0.851 5.385 4.527 0.011 0.000 0.348 21 F C 0.886 176.557 175.800 -0.214 0.000 1.119 21 F CA -0.064 57.786 58.000 -0.250 0.000 1.069 21 F CB 1.889 40.801 39.000 -0.147 0.000 1.124 21 F HN 0.662 nan 8.300 nan 0.000 0.472 22 G N 2.170 110.853 108.800 -0.195 0.000 2.488 22 G HA2 0.266 4.233 3.960 0.011 0.000 0.301 22 G HA3 0.266 4.233 3.960 0.011 0.000 0.301 22 G C -2.238 172.749 174.900 0.144 0.000 1.339 22 G CA -0.917 44.199 45.100 0.026 0.000 0.803 22 G HN 0.526 nan 8.290 nan 0.000 0.482 23 N N 1.148 119.981 118.700 0.223 0.000 2.549 23 N HA 0.377 5.123 4.740 0.011 0.000 0.281 23 N C -2.775 172.852 175.510 0.197 0.000 1.084 23 N CA -1.167 52.005 53.050 0.203 0.000 0.862 23 N CB 3.020 41.583 38.487 0.126 0.000 1.333 23 N HN 0.375 nan 8.380 nan 0.000 0.523 24 P HA 0.230 nan 4.420 nan 0.000 0.269 24 P C -0.162 177.102 177.300 -0.060 0.000 1.217 24 P CA 0.207 63.353 63.100 0.077 0.000 0.783 24 P CB 1.215 32.908 31.700 -0.012 0.000 0.898 25 G N -0.579 108.157 108.800 -0.106 0.000 2.660 25 G HA2 0.362 4.329 3.960 0.011 0.000 0.290 25 G HA3 0.362 4.329 3.960 0.011 0.000 0.290 25 G C 0.741 175.546 174.900 -0.158 0.000 1.432 25 G CA 0.051 44.866 45.100 -0.475 0.000 0.807 25 G HN 0.430 nan 8.290 nan 0.000 0.485 26 S N 0.184 115.789 115.700 -0.158 0.000 2.383 26 S HA -0.170 4.306 4.470 0.011 0.000 0.229 26 S C 1.736 176.299 174.600 -0.062 0.000 1.030 26 S CA 1.752 59.903 58.200 -0.083 0.000 1.002 26 S CB -0.304 62.845 63.200 -0.086 0.000 0.829 26 S HN 0.440 nan 8.310 nan 0.000 0.467 27 N N 1.942 120.742 118.700 0.167 0.000 2.443 27 N HA -0.019 4.728 4.740 0.011 0.000 0.184 27 N C 1.102 176.789 175.510 0.296 0.000 1.037 27 N CA 1.262 54.450 53.050 0.230 0.000 0.896 27 N CB -0.325 38.355 38.487 0.322 0.000 0.959 27 N HN 0.632 nan 8.380 nan 0.000 0.442 28 E N -0.462 119.890 120.200 0.254 0.000 2.460 28 E HA 0.211 4.568 4.350 0.011 0.000 0.200 28 E C 1.770 178.489 176.600 0.198 0.000 1.011 28 E CA -0.154 56.418 56.400 0.285 0.000 0.912 28 E CB 0.048 29.927 29.700 0.298 0.000 0.953 28 E HN 0.218 nan 8.360 nan 0.000 0.494 29 L N 1.021 122.291 121.223 0.080 0.000 2.043 29 L HA -0.142 4.205 4.340 0.011 0.000 0.212 29 L C -0.651 176.243 176.870 0.040 0.000 1.075 29 L CA 1.514 56.360 54.840 0.010 0.000 0.752 29 L CB -1.391 40.634 42.059 -0.056 0.000 0.891 29 L HN 0.140 nan 8.230 nan 0.000 0.432 30 P HA -0.199 nan 4.420 nan 0.000 0.222 30 P C 1.319 178.689 177.300 0.117 0.000 1.147 30 P CA 1.285 64.507 63.100 0.203 0.000 0.790 30 P CB 0.013 31.992 31.700 0.464 0.000 0.780 31 F N -0.357 119.427 119.950 -0.276 0.000 2.262 31 F HA 0.078 4.611 4.527 0.010 0.000 0.292 31 F C 1.707 177.471 175.800 -0.060 0.000 1.081 31 F CA 1.020 58.626 58.000 -0.656 0.000 1.355 31 F CB -0.643 37.719 39.000 -1.062 0.000 1.069 31 F HN -0.289 nan 8.300 nan 0.000 0.506 32 L N 1.060 122.176 121.223 -0.177 0.000 2.240 32 L HA -0.040 4.307 4.340 0.011 0.000 0.211 32 L C 1.101 177.911 176.870 -0.100 0.000 1.106 32 L CA 0.252 54.983 54.840 -0.181 0.000 0.793 32 L CB -0.832 41.135 42.059 -0.154 0.000 0.927 32 L HN 0.042 nan 8.230 nan 0.000 0.446 33 K N 0.350 120.702 120.400 -0.081 0.000 2.469 33 K HA -0.087 4.240 4.320 0.011 0.000 0.274 33 K C -0.305 176.225 176.600 -0.116 0.000 0.983 33 K CA -0.055 56.172 56.287 -0.100 0.000 0.974 33 K CB 0.297 32.731 32.500 -0.109 0.000 0.913 33 K HN 0.015 nan 8.250 nan 0.000 0.493 34 D N 0.597 120.925 120.400 -0.119 0.000 2.723 34 D HA -0.215 4.431 4.640 0.011 0.000 0.236 34 D C -0.696 175.506 176.300 -0.164 0.000 1.138 34 D CA 0.784 54.700 54.000 -0.139 0.000 0.676 34 D CB -1.306 39.365 40.800 -0.215 0.000 1.069 34 D HN 0.500 nan 8.370 nan 0.000 0.430 35 F N 1.103 120.863 119.950 -0.316 0.000 2.590 35 F HA 0.146 4.680 4.527 0.011 0.000 0.389 35 F C -1.376 174.192 175.800 -0.387 0.000 1.049 35 F CA -1.320 56.420 58.000 -0.432 0.000 1.199 35 F CB 0.301 39.134 39.000 -0.278 0.000 1.058 35 F HN -0.131 nan 8.300 nan 0.000 0.556 36 P HA -0.044 nan 4.420 nan 0.000 0.265 36 P C 0.262 177.381 177.300 -0.302 0.000 1.187 36 P CA 0.274 63.026 63.100 -0.580 0.000 0.766 36 P CB 0.480 31.745 31.700 -0.725 0.000 0.820 37 E N 1.422 121.545 120.200 -0.129 0.000 2.418 37 E HA -0.139 4.218 4.350 0.011 0.000 0.197 37 E C 0.713 177.307 176.600 -0.012 0.000 1.026 37 E CA 0.826 57.203 56.400 -0.039 0.000 0.862 37 E CB -0.071 29.611 29.700 -0.030 0.000 0.799 37 E HN 0.614 nan 8.360 nan 0.000 0.518 38 D N -0.259 120.144 120.400 0.006 0.000 2.328 38 D HA -0.026 4.621 4.640 0.011 0.000 0.221 38 D C 0.036 176.278 176.300 -0.098 0.000 1.072 38 D CA -0.019 53.967 54.000 -0.024 0.000 0.850 38 D CB -0.128 40.649 40.800 -0.038 0.000 0.922 38 D HN -0.043 nan 8.370 nan 0.000 0.516 39 F N 1.197 120.998 119.950 -0.248 0.000 2.556 39 F HA 0.481 5.016 4.527 0.012 0.000 0.327 39 F C 0.642 176.438 175.800 -0.008 0.000 1.059 39 F CA -1.160 56.689 58.000 -0.252 0.000 0.953 39 F CB 1.732 40.337 39.000 -0.658 0.000 1.227 39 F HN -0.216 nan 8.300 nan 0.000 0.478 40 R N 1.082 121.760 120.500 0.296 0.000 2.744 40 R HA 0.583 4.930 4.340 0.011 0.000 0.279 40 R C -2.225 174.278 176.300 0.339 0.000 0.977 40 R CA -0.889 55.398 56.100 0.312 0.000 0.906 40 R CB 1.773 32.096 30.300 0.037 0.000 1.197 40 R HN 0.679 nan 8.270 nan 0.000 0.463 41 Y N 3.175 123.517 120.300 0.071 0.000 2.341 41 Y HA 0.462 5.019 4.550 0.011 0.000 0.337 41 Y C -0.851 174.894 175.900 -0.258 0.000 1.014 41 Y CA -1.220 56.789 58.100 -0.152 0.000 1.111 41 Y CB 1.463 39.667 38.460 -0.426 0.000 1.194 41 Y HN 0.523 nan 8.280 nan 0.000 0.462 42 I N 8.077 128.216 120.570 -0.719 0.000 2.354 42 I HA 0.197 4.373 4.170 0.011 0.000 0.286 42 I C -0.872 175.034 176.117 -0.350 0.000 1.007 42 I CA -0.782 60.117 61.300 -0.668 0.000 1.167 42 I CB 0.980 38.518 38.000 -0.771 0.000 1.320 42 I HN 0.507 nan 8.210 nan 0.000 0.458 43 L N 6.765 128.101 121.223 0.189 0.000 2.312 43 L HA 0.804 5.151 4.340 0.011 0.000 0.281 43 L C -0.079 177.037 176.870 0.410 0.000 1.070 43 L CA 0.140 55.205 54.840 0.376 0.000 0.805 43 L CB 1.342 43.768 42.059 0.611 0.000 1.174 43 L HN 0.691 nan 8.230 nan 0.000 0.434 44 A N 4.882 127.865 122.820 0.270 0.000 2.401 44 A HA 0.540 4.867 4.320 0.011 0.000 0.310 44 A C 0.409 178.061 177.584 0.114 0.000 1.075 44 A CA -0.640 51.532 52.037 0.224 0.000 0.746 44 A CB 1.074 20.160 19.000 0.144 0.000 1.277 44 A HN 0.874 nan 8.150 nan 0.000 0.425 45 L N 0.050 121.284 121.223 0.018 0.000 2.465 45 L HA 0.049 4.395 4.340 0.011 0.000 0.224 45 L C 0.970 177.811 176.870 -0.048 0.000 1.145 45 L CA 0.974 55.748 54.840 -0.111 0.000 0.834 45 L CB -0.049 41.855 42.059 -0.258 0.000 0.944 45 L HN 0.709 nan 8.230 nan 0.000 0.451 46 Q N -0.587 119.212 119.800 -0.002 0.000 2.340 46 Q HA 0.113 4.460 4.340 0.011 0.000 0.276 46 Q C -0.169 175.857 176.000 0.043 0.000 1.048 46 Q CA -0.307 55.507 55.803 0.019 0.000 0.832 46 Q CB 2.333 31.079 28.738 0.014 0.000 1.373 46 Q HN -0.029 nan 8.270 nan 0.000 0.409 47 E N 1.370 121.603 120.200 0.055 0.000 2.171 47 E HA -0.203 4.154 4.350 0.011 0.000 0.197 47 E C 1.522 178.155 176.600 0.054 0.000 0.997 47 E CA 1.943 58.381 56.400 0.064 0.000 0.810 47 E CB -0.012 29.730 29.700 0.071 0.000 0.738 47 E HN 0.658 nan 8.360 nan 0.000 0.467 48 A N 0.002 122.853 122.820 0.052 0.000 1.972 48 A HA -0.197 4.129 4.320 0.011 0.000 0.219 48 A C 2.290 179.902 177.584 0.047 0.000 1.169 48 A CA 1.403 53.473 52.037 0.055 0.000 0.635 48 A CB -0.733 18.309 19.000 0.069 0.000 0.810 48 A HN 0.428 nan 8.150 nan 0.000 0.446 49 C N -1.538 117.786 119.300 0.041 0.000 2.475 49 C HA 0.032 4.499 4.460 0.011 0.000 0.279 49 C C 2.650 177.656 174.990 0.026 0.000 1.322 49 C CA 0.583 59.618 59.018 0.030 0.000 1.734 49 C CB -1.179 26.579 27.740 0.029 0.000 2.005 49 C HN 0.437 nan 8.230 nan 0.000 0.495 50 V N 1.225 121.166 119.914 0.045 0.000 2.233 50 V HA -0.220 3.907 4.120 0.011 0.000 0.247 50 V C 2.483 178.574 176.094 -0.005 0.000 1.050 50 V CA 2.326 64.659 62.300 0.054 0.000 1.010 50 V CB -0.803 31.066 31.823 0.077 0.000 0.637 50 V HN 0.445 nan 8.190 nan 0.000 0.444 51 V N 0.765 120.680 119.914 0.002 0.000 2.427 51 V HA -0.148 3.979 4.120 0.011 0.000 0.248 51 V C 2.605 178.670 176.094 -0.047 0.000 1.051 51 V CA 2.001 64.288 62.300 -0.022 0.000 1.048 51 V CB -1.388 30.449 31.823 0.023 0.000 0.666 51 V HN 0.628 nan 8.190 nan 0.000 0.456 52 G N 0.081 108.867 108.800 -0.023 0.000 2.421 52 G HA2 -0.220 3.746 3.960 0.011 0.000 0.216 52 G HA3 -0.220 3.746 3.960 0.011 0.000 0.216 52 G C 1.568 176.369 174.900 -0.166 0.000 1.171 52 G CA 1.073 46.144 45.100 -0.048 0.000 0.775 52 G HN 0.484 nan 8.290 nan 0.000 0.543 53 I N 1.356 121.826 120.570 -0.166 0.000 2.179 53 I HA -0.170 4.006 4.170 0.011 0.000 0.242 53 I C 3.320 179.159 176.117 -0.464 0.000 1.088 53 I CA 1.023 62.193 61.300 -0.217 0.000 1.357 53 I CB -0.304 37.646 38.000 -0.083 0.000 1.051 53 I HN 0.244 nan 8.210 nan 0.000 0.409 54 A N 0.259 122.641 122.820 -0.731 0.000 1.940 54 A HA -0.291 4.036 4.320 0.011 0.000 0.219 54 A C 2.072 179.411 177.584 -0.409 0.000 1.176 54 A CA 2.174 53.551 52.037 -1.099 0.000 0.631 54 A CB -0.642 17.884 19.000 -0.790 0.000 0.814 54 A HN 0.439 nan 8.150 nan 0.000 0.446 55 D N -0.335 119.942 120.400 -0.205 0.000 2.084 55 D HA -0.094 4.552 4.640 0.011 0.000 0.194 55 D C 2.117 178.382 176.300 -0.058 0.000 0.990 55 D CA 1.733 55.711 54.000 -0.036 0.000 0.826 55 D CB -0.638 40.236 40.800 0.125 0.000 0.971 55 D HN 0.309 nan 8.370 nan 0.000 0.453 56 G N -0.856 107.850 108.800 -0.157 0.000 2.440 56 G HA2 -0.324 3.642 3.960 0.011 0.000 0.218 56 G HA3 -0.324 3.642 3.960 0.011 0.000 0.218 56 G C 1.701 176.487 174.900 -0.190 0.000 1.154 56 G CA 0.986 45.925 45.100 -0.268 0.000 0.767 56 G HN 0.369 nan 8.290 nan 0.000 0.552 57 Y N 1.999 122.147 120.300 -0.253 0.000 2.128 57 Y HA -0.064 4.493 4.550 0.011 0.000 0.284 57 Y C 2.949 178.797 175.900 -0.086 0.000 1.154 57 Y CA 1.559 59.571 58.100 -0.147 0.000 1.149 57 Y CB -0.386 37.986 38.460 -0.146 0.000 0.976 57 Y HN 0.256 nan 8.280 nan 0.000 0.505 58 A N -0.006 122.812 122.820 -0.005 0.000 1.873 58 A HA -0.228 4.099 4.320 0.011 0.000 0.215 58 A C 2.125 179.683 177.584 -0.044 0.000 1.186 58 A CA 1.854 53.883 52.037 -0.014 0.000 0.616 58 A CB -0.763 18.263 19.000 0.042 0.000 0.823 58 A HN 0.645 nan 8.150 nan 0.000 0.442 59 Q N -0.712 119.066 119.800 -0.037 0.000 2.084 59 Q HA -0.139 4.208 4.340 0.011 0.000 0.202 59 Q C 2.424 178.446 176.000 0.037 0.000 0.978 59 Q CA 1.481 57.300 55.803 0.028 0.000 0.844 59 Q CB -0.348 28.418 28.738 0.048 0.000 0.898 59 Q HN 0.691 nan 8.270 nan 0.000 0.426 60 A N 1.082 123.850 122.820 -0.087 0.000 1.872 60 A HA -0.136 4.191 4.320 0.011 0.000 0.214 60 A C 2.244 179.779 177.584 -0.081 0.000 1.187 60 A CA 1.540 53.559 52.037 -0.029 0.000 0.614 60 A CB -0.508 18.428 19.000 -0.106 0.000 0.826 60 A HN 0.431 nan 8.150 nan 0.000 0.442 61 S N -1.226 114.345 115.700 -0.215 0.000 2.481 61 S HA -0.061 4.416 4.470 0.011 0.000 0.231 61 S C 0.967 175.501 174.600 -0.111 0.000 0.996 61 S CA 0.726 58.784 58.200 -0.237 0.000 0.942 61 S CB -0.381 62.526 63.200 -0.488 0.000 0.768 61 S HN 0.523 nan 8.310 nan 0.000 0.520 62 R N 0.374 120.839 120.500 -0.059 0.000 3.641 62 R HA -0.116 4.231 4.340 0.011 0.000 0.286 62 R C -0.899 175.397 176.300 -0.008 0.000 1.153 62 R CA 0.988 57.083 56.100 -0.008 0.000 0.775 62 R CB -1.986 28.318 30.300 0.008 0.000 1.215 62 R HN 0.567 nan 8.270 nan 0.000 0.474 63 K N -0.063 120.327 120.400 -0.017 0.000 2.508 63 K HA 0.430 4.757 4.320 0.011 0.000 0.260 63 K C -2.565 174.067 176.600 0.053 0.000 0.949 63 K CA -2.016 54.279 56.287 0.014 0.000 0.834 63 K CB 2.626 35.131 32.500 0.008 0.000 1.365 63 K HN -0.217 nan 8.250 nan 0.000 0.437 64 P HA 0.041 nan 4.420 nan 0.000 0.269 64 P C -1.285 176.138 177.300 0.205 0.000 1.215 64 P CA -0.208 62.963 63.100 0.118 0.000 0.780 64 P CB 0.836 32.598 31.700 0.103 0.000 0.898 65 A N 2.918 125.874 122.820 0.226 0.000 2.342 65 A HA 0.573 4.899 4.320 0.011 0.000 0.323 65 A C -1.123 176.667 177.584 0.343 0.000 1.125 65 A CA -0.653 51.590 52.037 0.342 0.000 0.785 65 A CB 0.532 19.669 19.000 0.228 0.000 1.221 65 A HN 0.501 nan 8.150 nan 0.000 0.463 66 F N 2.695 122.833 119.950 0.312 0.000 2.408 66 F HA 0.714 5.247 4.527 0.011 0.000 0.344 66 F C -0.424 175.561 175.800 0.309 0.000 1.112 66 F CA -0.523 57.636 58.000 0.265 0.000 1.096 66 F CB 0.714 39.867 39.000 0.256 0.000 1.129 66 F HN 0.431 nan 8.300 nan 0.000 0.486 67 I N 4.709 125.071 120.570 -0.346 0.000 2.689 67 I HA 0.317 4.493 4.170 0.011 0.000 0.299 67 I C -1.165 174.770 176.117 -0.304 0.000 1.059 67 I CA -0.993 60.225 61.300 -0.137 0.000 1.055 67 I CB 2.246 40.212 38.000 -0.056 0.000 1.243 67 I HN 0.525 nan 8.210 nan 0.000 0.425 68 N N 5.930 124.639 118.700 0.014 0.000 2.540 68 N HA 0.572 5.319 4.740 0.011 0.000 0.275 68 N C -1.616 173.983 175.510 0.148 0.000 1.053 68 N CA -0.323 52.784 53.050 0.095 0.000 0.876 68 N CB 1.034 39.751 38.487 0.383 0.000 1.284 68 N HN 0.473 nan 8.380 nan 0.000 0.518 69 L N 1.104 122.394 121.223 0.112 0.000 2.304 69 L HA 0.483 4.830 4.340 0.011 0.000 0.268 69 L C -0.277 176.713 176.870 0.199 0.000 1.010 69 L CA -1.232 53.702 54.840 0.158 0.000 0.813 69 L CB 1.286 43.428 42.059 0.138 0.000 1.315 69 L HN 0.569 nan 8.230 nan 0.000 0.445 70 H N 0.528 119.660 119.070 0.104 0.000 2.690 70 H HA 0.307 4.870 4.556 0.011 0.000 0.289 70 H C 0.303 175.687 175.328 0.095 0.000 1.089 70 H CA 0.656 56.763 56.048 0.098 0.000 1.299 70 H CB 0.670 30.482 29.762 0.083 0.000 1.405 70 H HN 0.696 nan 8.280 nan 0.000 0.463 71 S N 2.925 118.469 115.700 -0.259 0.000 2.865 71 S HA -0.378 4.099 4.470 0.011 0.000 0.630 71 S C 1.794 176.357 174.600 -0.061 0.000 3.160 71 S CA 1.575 59.648 58.200 -0.212 0.000 3.629 71 S CB -1.256 61.694 63.200 -0.416 0.000 0.312 71 S HN 1.099 nan 8.310 nan 0.000 1.632 72 A N 0.548 123.334 122.820 -0.056 0.000 1.858 72 A HA 0.225 4.552 4.320 0.011 0.000 0.216 72 A C 2.697 180.277 177.584 -0.006 0.000 1.190 72 A CA 2.925 54.953 52.037 -0.015 0.000 0.617 72 A CB -1.666 17.321 19.000 -0.023 0.000 0.827 72 A HN 1.794 nan 8.150 nan 0.000 0.443 73 A N -0.524 122.294 122.820 -0.003 0.000 1.892 73 A HA 0.030 4.357 4.320 0.011 0.000 0.218 73 A C 2.442 180.058 177.584 0.055 0.000 1.188 73 A CA 2.241 54.297 52.037 0.032 0.000 0.631 73 A CB -1.496 17.542 19.000 0.063 0.000 0.822 73 A HN 0.793 nan 8.150 nan 0.000 0.447 74 G N -1.427 107.422 108.800 0.081 0.000 2.421 74 G HA2 -0.134 3.833 3.960 0.011 0.000 0.216 74 G HA3 -0.134 3.833 3.960 0.011 0.000 0.216 74 G C 1.588 176.537 174.900 0.082 0.000 1.171 74 G CA 1.637 46.803 45.100 0.110 0.000 0.775 74 G HN 0.436 nan 8.290 nan 0.000 0.543 75 T N 1.064 115.664 114.554 0.077 0.000 2.708 75 T HA -0.056 4.300 4.350 0.011 0.000 0.266 75 T C 2.501 177.198 174.700 -0.006 0.000 1.037 75 T CA 1.513 63.648 62.100 0.058 0.000 1.146 75 T CB -0.669 68.234 68.868 0.058 0.000 0.865 75 T HN 0.358 nan 8.240 nan 0.000 0.435 76 G N 2.293 111.087 108.800 -0.011 0.000 2.476 76 G HA2 -0.286 3.681 3.960 0.011 0.000 0.218 76 G HA3 -0.286 3.681 3.960 0.011 0.000 0.218 76 G C 1.588 176.487 174.900 -0.002 0.000 1.164 76 G CA 0.771 45.858 45.100 -0.022 0.000 0.768 76 G HN 0.404 nan 8.290 nan 0.000 0.560 77 N N 1.043 119.756 118.700 0.022 0.000 2.443 77 N HA -0.008 4.739 4.740 0.011 0.000 0.184 77 N C 1.923 177.453 175.510 0.033 0.000 1.037 77 N CA 0.978 54.047 53.050 0.032 0.000 0.896 77 N CB -0.120 38.394 38.487 0.045 0.000 0.959 77 N HN 0.371 nan 8.380 nan 0.000 0.442 78 A N -0.307 122.529 122.820 0.027 0.000 2.348 78 A HA 0.181 4.508 4.320 0.011 0.000 0.224 78 A C 1.889 179.477 177.584 0.008 0.000 1.227 78 A CA -0.120 51.934 52.037 0.028 0.000 0.885 78 A CB 0.037 19.061 19.000 0.040 0.000 0.933 78 A HN -0.006 nan 8.150 nan 0.000 0.506 79 M N -0.119 119.471 119.600 -0.016 0.000 2.108 79 M HA -0.137 4.350 4.480 0.011 0.000 0.261 79 M C 2.212 178.496 176.300 -0.027 0.000 1.066 79 M CA 1.722 56.997 55.300 -0.041 0.000 1.107 79 M CB -1.698 30.866 32.600 -0.060 0.000 1.356 79 M HN 0.473 nan 8.290 nan 0.000 0.406 80 G N -0.110 108.685 108.800 -0.008 0.000 2.440 80 G HA2 -0.089 3.878 3.960 0.011 0.000 0.218 80 G HA3 -0.089 3.878 3.960 0.011 0.000 0.218 80 G C 1.677 176.576 174.900 -0.000 0.000 1.154 80 G CA 1.303 46.398 45.100 -0.008 0.000 0.767 80 G HN 0.556 nan 8.290 nan 0.000 0.552 81 A N 0.509 123.345 122.820 0.026 0.000 1.933 81 A HA 0.111 4.438 4.320 0.011 0.000 0.218 81 A C 2.411 180.022 177.584 0.044 0.000 1.175 81 A CA 1.181 53.251 52.037 0.054 0.000 0.628 81 A CB -0.374 18.667 19.000 0.068 0.000 0.814 81 A HN 0.358 nan 8.150 nan 0.000 0.444 82 L N 0.485 121.727 121.223 0.032 0.000 2.201 82 L HA -0.170 4.177 4.340 0.011 0.000 0.212 82 L C 3.001 179.908 176.870 0.061 0.000 1.105 82 L CA 1.426 56.296 54.840 0.049 0.000 0.775 82 L CB -0.483 41.591 42.059 0.024 0.000 0.913 82 L HN 0.660 nan 8.230 nan 0.000 0.440 83 S N -0.315 115.391 115.700 0.011 0.000 2.382 83 S HA -0.174 4.303 4.470 0.011 0.000 0.228 83 S C 1.768 176.387 174.600 0.031 0.000 1.027 83 S CA 1.222 59.423 58.200 0.003 0.000 0.991 83 S CB -0.358 62.813 63.200 -0.049 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.489 121.171 118.700 -0.030 0.000 2.106 84 N HA 0.091 4.838 4.740 0.011 0.000 0.188 84 N C 2.120 177.585 175.510 -0.074 0.000 1.029 84 N CA 1.471 54.448 53.050 -0.122 0.000 0.848 84 N CB -1.006 37.324 38.487 -0.261 0.000 1.007 84 N HN 0.600 nan 8.380 nan 0.000 0.423 85 A N 1.553 124.377 122.820 0.006 0.000 1.948 85 A HA -0.185 4.142 4.320 0.011 0.000 0.220 85 A C 2.045 179.669 177.584 0.067 0.000 1.177 85 A CA 1.215 53.278 52.037 0.042 0.000 0.636 85 A CB -1.121 17.930 19.000 0.086 0.000 0.815 85 A HN 0.612 nan 8.150 nan 0.000 0.449 86 W N 1.079 122.347 121.300 -0.053 0.000 2.358 86 W HA -0.188 4.479 4.660 0.011 0.000 0.303 86 W C 1.345 177.788 176.519 -0.126 0.000 1.208 86 W CA 1.996 59.312 57.345 -0.047 0.000 1.274 86 W CB -0.484 28.952 29.460 -0.039 0.000 1.138 86 W HN 0.414 nan 8.180 nan 0.000 0.515 87 N N 0.271 118.967 118.700 -0.006 0.000 2.396 87 N HA -0.139 4.608 4.740 0.011 0.000 0.180 87 N C 1.759 177.071 175.510 -0.330 0.000 1.028 87 N CA 1.971 54.921 53.050 -0.166 0.000 0.893 87 N CB -0.416 38.048 38.487 -0.040 0.000 0.967 87 N HN 0.128 nan 8.380 nan 0.000 0.440 88 S N -1.555 114.003 115.700 -0.237 0.000 2.556 88 S HA 0.099 4.575 4.470 0.011 0.000 0.216 88 S C -0.121 174.422 174.600 -0.094 0.000 0.970 88 S CA -0.322 57.785 58.200 -0.156 0.000 0.912 88 S CB -0.543 62.618 63.200 -0.064 0.000 0.790 88 S HN 0.391 nan 8.310 nan 0.000 0.504 89 H N 0.882 119.878 119.070 -0.123 0.000 2.791 89 H HA -0.132 4.431 4.556 0.011 0.000 0.302 89 H C -0.653 174.640 175.328 -0.058 0.000 1.198 89 H CA 0.409 56.372 56.048 -0.141 0.000 1.145 89 H CB -2.151 27.539 29.762 -0.120 0.000 1.385 89 H HN 0.373 nan 8.280 nan 0.000 0.409 90 S N 2.506 118.242 115.700 0.060 0.000 2.481 90 S HA 0.116 4.592 4.470 0.011 0.000 0.276 90 S C -1.815 172.826 174.600 0.068 0.000 1.247 90 S CA -0.995 57.245 58.200 0.067 0.000 1.053 90 S CB 0.909 64.146 63.200 0.062 0.000 0.925 90 S HN 0.211 nan 8.310 nan 0.000 0.491 91 P HA 0.186 nan 4.420 nan 0.000 0.263 91 P C -1.044 176.306 177.300 0.083 0.000 1.601 91 P CA 0.014 63.155 63.100 0.068 0.000 1.161 91 P CB -0.192 31.542 31.700 0.056 0.000 1.730 92 L N 4.474 125.750 121.223 0.089 0.000 2.313 92 L HA 0.508 4.854 4.340 0.011 0.000 0.283 92 L C 0.695 177.619 176.870 0.090 0.000 1.013 92 L CA -0.976 53.915 54.840 0.084 0.000 0.816 92 L CB 1.962 44.062 42.059 0.068 0.000 1.236 92 L HN 0.153 nan 8.230 nan 0.000 0.419 93 I N 4.233 124.842 120.570 0.066 0.000 2.310 93 I HA 0.190 4.367 4.170 0.011 0.000 0.287 93 I C -0.301 175.727 176.117 -0.148 0.000 1.073 93 I CA -0.525 60.789 61.300 0.022 0.000 1.216 93 I CB 1.202 39.258 38.000 0.093 0.000 1.415 93 I HN 0.250 nan 8.210 nan 0.000 0.480 94 V N 5.257 125.144 119.914 -0.046 0.000 2.368 94 V HA 0.261 4.388 4.120 0.011 0.000 0.266 94 V C 0.618 176.606 176.094 -0.177 0.000 1.045 94 V CA -0.340 61.923 62.300 -0.062 0.000 0.899 94 V CB 1.007 32.925 31.823 0.159 0.000 1.006 94 V HN 0.790 nan 8.190 nan 0.000 0.470 95 T N 2.319 116.683 114.554 -0.318 0.000 2.823 95 T HA 0.863 5.219 4.350 0.011 0.000 0.279 95 T C -0.412 174.156 174.700 -0.220 0.000 0.998 95 T CA -0.544 61.356 62.100 -0.332 0.000 0.994 95 T CB 1.963 70.630 68.868 -0.335 0.000 0.960 95 T HN 0.945 nan 8.240 nan 0.000 0.448 96 A N 2.029 124.694 122.820 -0.258 0.000 2.393 96 A HA 0.863 5.190 4.320 0.011 0.000 0.306 96 A C 0.390 177.957 177.584 -0.028 0.000 1.050 96 A CA -0.735 51.253 52.037 -0.081 0.000 0.724 96 A CB 1.235 20.235 19.000 0.001 0.000 1.248 96 A HN 1.334 nan 8.150 nan 0.000 0.424 97 G N 0.663 109.512 108.800 0.083 0.000 2.378 97 G HA2 0.459 4.426 3.960 0.011 0.000 0.255 97 G HA3 0.459 4.426 3.960 0.011 0.000 0.255 97 G C -0.110 174.846 174.900 0.093 0.000 1.270 97 G CA 0.042 45.240 45.100 0.164 0.000 0.876 97 G HN 0.842 nan 8.290 nan 0.000 0.521 98 Q N 0.713 120.578 119.800 0.107 0.000 2.204 98 Q HA 0.335 4.682 4.340 0.011 0.000 0.254 98 Q C 0.363 176.441 176.000 0.131 0.000 0.981 98 Q CA -0.637 55.197 55.803 0.052 0.000 0.897 98 Q CB 1.006 29.729 28.738 -0.025 0.000 1.273 98 Q HN 0.509 nan 8.270 nan 0.000 0.464 99 Q N 0.243 120.089 119.800 0.076 0.000 2.535 99 Q HA 0.093 4.440 4.340 0.011 0.000 0.228 99 Q C -0.556 175.349 176.000 -0.159 0.000 1.062 99 Q CA 0.231 56.092 55.803 0.096 0.000 0.967 99 Q CB 0.749 29.520 28.738 0.054 0.000 1.273 99 Q HN 0.832 nan 8.270 nan 0.000 0.554 100 T N 0.585 114.854 114.554 -0.475 0.000 2.916 100 T HA 0.045 4.402 4.350 0.011 0.000 0.303 100 T C 1.278 175.806 174.700 -0.287 0.000 1.025 100 T CA 0.042 61.736 62.100 -0.678 0.000 1.142 100 T CB 0.343 68.722 68.868 -0.814 0.000 0.947 100 T HN 0.505 nan 8.240 nan 0.000 0.544 101 R N 3.226 123.586 120.500 -0.234 0.000 2.154 101 R HA -0.164 4.182 4.340 0.011 0.000 0.248 101 R C 2.495 178.731 176.300 -0.108 0.000 1.155 101 R CA 1.553 57.566 56.100 -0.145 0.000 0.979 101 R CB -0.526 29.699 30.300 -0.127 0.000 0.869 101 R HN 0.757 nan 8.270 nan 0.000 0.452 102 A N 0.133 122.887 122.820 -0.110 0.000 2.121 102 A HA -0.043 4.284 4.320 0.011 0.000 0.218 102 A C 1.725 179.279 177.584 -0.050 0.000 1.154 102 A CA 1.012 53.008 52.037 -0.068 0.000 0.679 102 A CB -0.016 18.950 19.000 -0.057 0.000 0.795 102 A HN 0.194 nan 8.150 nan 0.000 0.458 103 M N -1.245 118.320 119.600 -0.058 0.000 2.347 103 M HA 0.315 4.802 4.480 0.011 0.000 0.324 103 M C 0.909 177.193 176.300 -0.026 0.000 1.028 103 M CA 0.125 55.409 55.300 -0.027 0.000 0.988 103 M CB 0.248 32.847 32.600 -0.002 0.000 1.528 103 M HN 0.307 nan 8.290 nan 0.000 0.550 104 I N 0.176 120.720 120.570 -0.044 0.000 2.353 104 I HA -0.106 4.071 4.170 0.011 0.000 0.248 104 I C 2.455 178.553 176.117 -0.031 0.000 1.119 104 I CA 1.260 62.536 61.300 -0.040 0.000 1.417 104 I CB -0.472 37.493 38.000 -0.058 0.000 1.078 104 I HN 0.370 nan 8.210 nan 0.000 0.421 105 G N 1.259 110.041 108.800 -0.031 0.000 2.446 105 G HA2 -0.228 3.739 3.960 0.011 0.000 0.217 105 G HA3 -0.228 3.739 3.960 0.011 0.000 0.217 105 G C 1.625 176.515 174.900 -0.017 0.000 1.168 105 G CA 1.357 46.443 45.100 -0.024 0.000 0.771 105 G HN 0.382 nan 8.290 nan 0.000 0.551 106 V N -2.235 117.672 119.914 -0.012 0.000 3.380 106 V HA 0.237 4.364 4.120 0.011 0.000 0.268 106 V C 0.705 176.797 176.094 -0.003 0.000 1.168 106 V CA 0.973 63.269 62.300 -0.006 0.000 1.156 106 V CB -0.844 30.978 31.823 -0.001 0.000 0.785 106 V HN 0.519 nan 8.190 nan 0.000 0.487 107 E N -0.032 120.164 120.200 -0.005 0.000 2.257 107 E HA -0.172 4.185 4.350 0.011 0.000 0.217 107 E C 0.543 177.147 176.600 0.008 0.000 1.248 107 E CA 0.187 56.586 56.400 -0.002 0.000 0.691 107 E CB -1.370 28.327 29.700 -0.005 0.000 1.185 107 E HN 1.002 nan 8.360 nan 0.000 0.377 108 A N 0.959 123.788 122.820 0.015 0.000 2.406 108 A HA 0.364 4.691 4.320 0.011 0.000 0.243 108 A C 0.439 178.045 177.584 0.036 0.000 1.082 108 A CA -0.307 51.747 52.037 0.029 0.000 0.786 108 A CB 0.431 19.456 19.000 0.042 0.000 1.029 108 A HN 0.378 nan 8.150 nan 0.000 0.495 109 L N 0.916 122.165 121.223 0.043 0.000 2.573 109 L HA 0.046 4.392 4.340 0.011 0.000 0.290 109 L C 0.843 177.751 176.870 0.063 0.000 1.247 109 L CA 1.455 56.324 54.840 0.048 0.000 0.876 109 L CB -0.331 41.760 42.059 0.053 0.000 1.123 109 L HN 0.747 nan 8.230 nan 0.000 0.505 110 L N 1.476 122.728 121.223 0.049 0.000 4.892 110 L HA -0.213 4.133 4.340 0.011 0.000 0.403 110 L C 0.286 177.161 176.870 0.008 0.000 0.913 110 L CA 0.460 55.319 54.840 0.032 0.000 1.653 110 L CB -2.430 39.688 42.059 0.098 0.000 1.780 110 L HN 0.763 nan 8.230 nan 0.000 0.597 111 T N 1.078 115.641 114.554 0.014 0.000 2.814 111 T HA 0.152 4.509 4.350 0.011 0.000 0.297 111 T C 0.620 175.311 174.700 -0.015 0.000 0.956 111 T CA -0.017 62.084 62.100 0.002 0.000 1.123 111 T CB 1.012 69.879 68.868 -0.001 0.000 0.902 111 T HN 0.134 nan 8.240 nan 0.000 0.528 112 N N 4.077 122.764 118.700 -0.021 0.000 2.482 112 N HA 0.103 4.850 4.740 0.011 0.000 0.242 112 N C -0.446 175.052 175.510 -0.021 0.000 1.100 112 N CA -0.239 52.800 53.050 -0.018 0.000 0.946 112 N CB 0.170 38.657 38.487 -0.001 0.000 1.227 112 N HN 0.285 nan 8.380 nan 0.000 0.508 113 V N 3.323 123.223 119.914 -0.024 0.000 2.585 113 V HA -0.011 4.116 4.120 0.011 0.000 0.296 113 V C 0.927 177.000 176.094 -0.034 0.000 1.035 113 V CA -0.124 62.159 62.300 -0.029 0.000 1.084 113 V CB 0.580 32.387 31.823 -0.026 0.000 0.953 113 V HN 0.732 nan 8.190 nan 0.000 0.483 114 D N 3.334 123.710 120.400 -0.041 0.000 2.737 114 D HA -0.268 4.379 4.640 0.011 0.000 0.233 114 D C 1.350 177.623 176.300 -0.045 0.000 1.155 114 D CA 1.004 54.976 54.000 -0.047 0.000 0.667 114 D CB -0.597 40.176 40.800 -0.045 0.000 1.060 114 D HN 0.837 nan 8.370 nan 0.000 0.427 115 A N 0.616 123.418 122.820 -0.030 0.000 1.893 115 A HA -0.169 4.158 4.320 0.011 0.000 0.222 115 A C 2.575 180.185 177.584 0.044 0.000 1.309 115 A CA 3.545 55.596 52.037 0.023 0.000 0.681 115 A CB -1.298 17.724 19.000 0.037 0.000 0.842 115 A HN 1.052 nan 8.150 nan 0.000 0.468 116 A N -0.847 121.976 122.820 0.005 0.000 2.032 116 A HA -0.225 4.101 4.320 0.011 0.000 0.221 116 A C 1.837 179.379 177.584 -0.070 0.000 1.165 116 A CA 1.965 53.998 52.037 -0.007 0.000 0.645 116 A CB -0.655 18.293 19.000 -0.087 0.000 0.807 116 A HN 0.617 nan 8.150 nan 0.000 0.453 117 N N -0.668 117.984 118.700 -0.080 0.000 2.457 117 N HA -0.041 4.706 4.740 0.011 0.000 0.180 117 N C 1.462 176.890 175.510 -0.137 0.000 1.050 117 N CA 0.781 53.772 53.050 -0.098 0.000 0.906 117 N CB -0.292 38.150 38.487 -0.075 0.000 0.968 117 N HN 0.439 nan 8.380 nan 0.000 0.445 118 L N 2.727 123.852 121.223 -0.163 0.000 1.970 118 L HA -0.050 4.296 4.340 0.011 0.000 0.212 118 L C -0.899 175.803 176.870 -0.281 0.000 1.071 118 L CA 2.083 56.799 54.840 -0.206 0.000 0.751 118 L CB -1.439 40.496 42.059 -0.206 0.000 0.889 118 L HN 0.101 nan 8.230 nan 0.000 0.432 119 P HA -0.094 nan 4.420 nan 0.000 0.236 119 P C 0.024 177.172 177.300 -0.253 0.000 1.177 119 P CA 0.468 63.332 63.100 -0.394 0.000 0.773 119 P CB -0.088 31.236 31.700 -0.626 0.000 0.878 120 R N 1.928 122.299 120.500 -0.215 0.000 2.643 120 R HA 0.132 4.479 4.340 0.011 0.000 0.270 120 R C -1.362 174.818 176.300 -0.199 0.000 1.061 120 R CA -0.908 55.080 56.100 -0.185 0.000 1.107 120 R CB -0.116 30.102 30.300 -0.138 0.000 0.999 120 R HN 0.124 nan 8.270 nan 0.000 0.460 121 P HA 0.100 nan 4.420 nan 0.000 0.248 121 P C -0.011 176.946 177.300 -0.572 0.000 1.708 121 P CA 0.288 63.186 63.100 -0.337 0.000 1.062 121 P CB 0.274 31.785 31.700 -0.316 0.000 1.562 122 L N 0.036 121.008 121.223 -0.419 0.000 2.629 122 L HA 0.176 4.523 4.340 0.011 0.000 0.230 122 L C 0.783 177.612 176.870 -0.068 0.000 1.151 122 L CA -0.235 54.354 54.840 -0.419 0.000 0.924 122 L CB 0.184 42.116 42.059 -0.211 0.000 1.137 122 L HN -0.078 nan 8.230 nan 0.000 0.457 123 V N -5.328 114.579 119.914 -0.011 0.000 2.962 123 V HA 0.375 4.501 4.120 0.011 0.000 0.313 123 V C 0.622 177.001 176.094 0.474 0.000 1.099 123 V CA -1.047 61.437 62.300 0.307 0.000 0.971 123 V CB 2.167 34.096 31.823 0.177 0.000 1.028 123 V HN 0.026 nan 8.190 nan 0.000 0.430 124 K N 0.854 121.581 120.400 0.545 0.000 2.155 124 K HA 0.086 4.413 4.320 0.011 0.000 0.203 124 K C -0.224 176.639 176.600 0.437 0.000 1.052 124 K CA 1.649 58.218 56.287 0.470 0.000 0.948 124 K CB 0.170 32.846 32.500 0.292 0.000 0.728 124 K HN 0.745 nan 8.250 nan 0.000 0.448 125 W N -0.055 121.348 121.300 0.171 0.000 3.425 125 W HA 0.321 4.987 4.660 0.010 0.000 0.318 125 W C -1.630 174.988 176.519 0.166 0.000 1.201 125 W CA -0.662 56.762 57.345 0.131 0.000 1.212 125 W CB 1.955 31.466 29.460 0.084 0.000 1.355 125 W HN -0.360 nan 8.180 nan 0.000 0.515 126 S N 5.187 120.647 115.700 -0.400 0.000 2.614 126 S HA 0.746 5.223 4.470 0.011 0.000 0.288 126 S C -2.071 172.183 174.600 -0.577 0.000 1.137 126 S CA -0.311 57.709 58.200 -0.300 0.000 0.992 126 S CB 0.701 63.861 63.200 -0.067 0.000 1.026 126 S HN 0.505 nan 8.310 nan 0.000 0.486 127 Y N 2.258 122.110 120.300 -0.747 0.000 2.624 127 Y HA 0.586 5.142 4.550 0.010 0.000 0.334 127 Y C -1.520 174.152 175.900 -0.380 0.000 1.155 127 Y CA -0.719 56.974 58.100 -0.678 0.000 1.046 127 Y CB 1.578 39.315 38.460 -1.205 0.000 1.316 127 Y HN 0.686 nan 8.280 nan 0.000 0.457 128 E N 5.077 124.688 120.200 -0.981 0.000 2.281 128 E HA 0.488 4.844 4.350 0.011 0.000 0.266 128 E C -2.965 173.082 176.600 -0.922 0.000 0.893 128 E CA -2.392 53.605 56.400 -0.672 0.000 0.798 128 E CB 1.970 31.423 29.700 -0.411 0.000 1.245 128 E HN 0.308 nan 8.360 nan 0.000 0.410 129 P HA 0.041 nan 4.420 nan 0.000 0.267 129 P C -0.270 176.920 177.300 -0.184 0.000 1.200 129 P CA 0.156 63.146 63.100 -0.183 0.000 0.772 129 P CB 1.008 32.699 31.700 -0.015 0.000 0.855 130 A N 1.516 124.294 122.820 -0.069 0.000 2.208 130 A HA 0.262 4.588 4.320 0.011 0.000 0.209 130 A C 0.566 178.124 177.584 -0.044 0.000 1.161 130 A CA 0.984 52.986 52.037 -0.059 0.000 0.782 130 A CB -0.511 18.487 19.000 -0.003 0.000 0.816 130 A HN 0.607 nan 8.150 nan 0.000 0.477 131 S N -3.904 111.774 115.700 -0.036 0.000 2.567 131 S HA 0.589 5.066 4.470 0.011 0.000 0.270 131 S C 0.611 175.179 174.600 -0.054 0.000 1.152 131 S CA -0.006 58.170 58.200 -0.039 0.000 0.835 131 S CB 0.949 64.144 63.200 -0.008 0.000 1.115 131 S HN 0.997 nan 8.310 nan 0.000 0.459 132 A N 1.772 124.549 122.820 -0.071 0.000 1.908 132 A HA 0.228 4.555 4.320 0.011 0.000 0.218 132 A C 2.312 179.866 177.584 -0.050 0.000 1.181 132 A CA 2.157 54.135 52.037 -0.099 0.000 0.627 132 A CB -1.604 17.346 19.000 -0.082 0.000 0.818 132 A HN 1.822 nan 8.150 nan 0.000 0.445 133 A N -0.815 122.002 122.820 -0.006 0.000 2.125 133 A HA -0.159 4.168 4.320 0.011 0.000 0.219 133 A C 1.928 179.541 177.584 0.048 0.000 1.156 133 A CA 1.639 53.692 52.037 0.026 0.000 0.671 133 A CB -0.431 18.587 19.000 0.029 0.000 0.794 133 A HN 0.678 nan 8.150 nan 0.000 0.459 134 E N -0.168 120.064 120.200 0.053 0.000 2.371 134 E HA -0.018 4.338 4.350 0.011 0.000 0.194 134 E C 1.628 178.304 176.600 0.127 0.000 1.012 134 E CA 0.601 57.074 56.400 0.121 0.000 0.860 134 E CB -0.029 29.759 29.700 0.147 0.000 0.811 134 E HN 0.376 nan 8.360 nan 0.000 0.502 135 V N 1.774 121.708 119.914 0.033 0.000 2.250 135 V HA -0.244 3.882 4.120 0.011 0.000 0.250 135 V C -0.700 175.451 176.094 0.093 0.000 1.060 135 V CA 2.318 64.614 62.300 -0.008 0.000 1.030 135 V CB -1.523 30.166 31.823 -0.224 0.000 0.643 135 V HN 0.284 nan 8.190 nan 0.000 0.445 136 P HA -0.205 nan 4.420 nan 0.000 0.216 136 P C 1.718 179.141 177.300 0.205 0.000 1.153 136 P CA 1.841 65.049 63.100 0.180 0.000 0.858 136 P CB -0.210 31.592 31.700 0.170 0.000 0.789 137 H N -0.574 118.541 119.070 0.075 0.000 2.353 137 H HA -0.096 4.467 4.556 0.012 0.000 0.300 137 H C 1.789 177.168 175.328 0.084 0.000 1.090 137 H CA 1.254 57.337 56.048 0.058 0.000 1.327 137 H CB -0.146 29.639 29.762 0.039 0.000 1.383 137 H HN -0.011 nan 8.280 nan 0.000 0.508 138 A N 0.890 123.763 122.820 0.088 0.000 1.933 138 A HA -0.196 4.131 4.320 0.011 0.000 0.218 138 A C 2.371 180.068 177.584 0.188 0.000 1.175 138 A CA 1.687 53.805 52.037 0.135 0.000 0.628 138 A CB -0.618 18.573 19.000 0.319 0.000 0.814 138 A HN 0.510 nan 8.150 nan 0.000 0.444 139 M N -0.265 119.440 119.600 0.175 0.000 2.175 139 M HA -0.061 4.426 4.480 0.011 0.000 0.264 139 M C 2.263 178.637 176.300 0.123 0.000 1.063 139 M CA 2.009 57.422 55.300 0.188 0.000 1.119 139 M CB -0.558 32.167 32.600 0.209 0.000 1.377 139 M HN 0.380 nan 8.290 nan 0.000 0.415 140 S N -0.134 115.629 115.700 0.104 0.000 2.368 140 S HA -0.163 4.313 4.470 0.011 0.000 0.225 140 S C 2.042 176.649 174.600 0.011 0.000 1.030 140 S CA 1.569 59.821 58.200 0.086 0.000 0.999 140 S CB -0.178 63.139 63.200 0.195 0.000 0.844 140 S HN 0.619 nan 8.310 nan 0.000 0.459 141 R N 0.782 121.205 120.500 -0.129 0.000 2.081 141 R HA -0.005 4.341 4.340 0.011 0.000 0.235 141 R C 2.698 178.752 176.300 -0.410 0.000 1.131 141 R CA 1.331 57.179 56.100 -0.420 0.000 0.960 141 R CB -0.681 29.082 30.300 -0.895 0.000 0.856 141 R HN 0.495 nan 8.270 nan 0.000 0.436 142 A N 1.554 124.305 122.820 -0.115 0.000 1.865 142 A HA -0.181 4.146 4.320 0.011 0.000 0.217 142 A C 2.204 179.812 177.584 0.040 0.000 1.191 142 A CA 1.433 53.560 52.037 0.151 0.000 0.623 142 A CB -0.632 18.560 19.000 0.319 0.000 0.826 142 A HN 0.194 nan 8.150 nan 0.000 0.444 143 I N -1.025 119.527 120.570 -0.031 0.000 2.151 143 I HA -0.310 3.867 4.170 0.011 0.000 0.243 143 I C 2.503 178.492 176.117 -0.213 0.000 1.080 143 I CA 1.640 62.862 61.300 -0.131 0.000 1.339 143 I CB -0.637 37.201 38.000 -0.271 0.000 1.039 143 I HN 0.431 nan 8.210 nan 0.000 0.409 144 H N -0.283 118.759 119.070 -0.046 0.000 2.395 144 H HA -0.012 4.550 4.556 0.011 0.000 0.299 144 H C 2.332 177.603 175.328 -0.095 0.000 1.070 144 H CA 1.059 57.059 56.048 -0.080 0.000 1.356 144 H CB -0.137 29.560 29.762 -0.109 0.000 1.401 144 H HN 0.254 nan 8.280 nan 0.000 0.524 145 M N 0.417 119.990 119.600 -0.044 0.000 2.213 145 M HA -0.050 4.437 4.480 0.011 0.000 0.263 145 M C 2.403 178.717 176.300 0.024 0.000 1.062 145 M CA 0.902 56.165 55.300 -0.062 0.000 1.105 145 M CB -0.848 31.662 32.600 -0.150 0.000 1.385 145 M HN 0.219 nan 8.290 nan 0.000 0.417 146 A N -1.184 121.663 122.820 0.046 0.000 1.970 146 A HA -0.014 4.313 4.320 0.011 0.000 0.216 146 A C 2.380 179.985 177.584 0.034 0.000 1.170 146 A CA 1.525 53.601 52.037 0.064 0.000 0.645 146 A CB -0.402 18.650 19.000 0.087 0.000 0.816 146 A HN 0.460 nan 8.150 nan 0.000 0.447 147 S N -0.394 115.319 115.700 0.022 0.000 2.446 147 S HA 0.187 4.663 4.470 0.011 0.000 0.225 147 S C 0.888 175.490 174.600 0.003 0.000 1.016 147 S CA 0.148 58.357 58.200 0.015 0.000 0.943 147 S CB -0.228 62.981 63.200 0.015 0.000 0.786 147 S HN 0.536 nan 8.310 nan 0.000 0.508 148 M N 1.759 121.360 119.600 0.002 0.000 2.243 148 M HA 0.285 4.772 4.480 0.011 0.000 0.341 148 M C 0.287 176.556 176.300 -0.052 0.000 1.130 148 M CA -0.376 54.911 55.300 -0.021 0.000 1.162 148 M CB 0.299 32.884 32.600 -0.025 0.000 1.497 148 M HN 0.141 nan 8.290 nan 0.000 0.456 149 A N 4.492 127.271 122.820 -0.068 0.000 2.440 149 A HA 0.442 4.769 4.320 0.011 0.000 0.251 149 A C -2.228 175.281 177.584 -0.126 0.000 1.089 149 A CA -1.141 50.826 52.037 -0.118 0.000 0.779 149 A CB -0.662 18.275 19.000 -0.105 0.000 1.022 149 A HN 0.527 nan 8.150 nan 0.000 0.492 150 P HA 0.175 nan 4.420 nan 0.000 0.287 150 P C -0.647 176.504 177.300 -0.248 0.000 1.281 150 P CA -0.253 62.636 63.100 -0.351 0.000 0.781 150 P CB 0.805 32.201 31.700 -0.506 0.000 0.903 151 Q N 1.137 120.818 119.800 -0.199 0.000 2.432 151 Q HA 0.490 4.836 4.340 0.011 0.000 0.264 151 Q C 0.688 176.673 176.000 -0.025 0.000 1.035 151 Q CA 0.433 56.196 55.803 -0.067 0.000 0.908 151 Q CB 0.414 29.142 28.738 -0.017 0.000 1.280 151 Q HN 0.743 nan 8.270 nan 0.000 0.455 152 G N 1.116 109.922 108.800 0.010 0.000 2.451 152 G HA2 0.330 4.297 3.960 0.011 0.000 0.292 152 G HA3 0.330 4.297 3.960 0.011 0.000 0.292 152 G C -3.078 171.884 174.900 0.104 0.000 1.427 152 G CA -0.879 44.233 45.100 0.020 0.000 0.792 152 G HN 0.389 nan 8.290 nan 0.000 0.498 153 P HA 0.473 nan 4.420 nan 0.000 0.278 153 P C -0.121 177.324 177.300 0.242 0.000 1.238 153 P CA -0.182 63.031 63.100 0.188 0.000 0.794 153 P CB 1.713 33.527 31.700 0.190 0.000 0.955 154 V N 0.631 120.685 119.914 0.234 0.000 3.040 154 V HA 0.626 4.752 4.120 0.011 0.000 0.312 154 V C -1.493 174.775 176.094 0.290 0.000 1.115 154 V CA -1.094 61.389 62.300 0.305 0.000 0.998 154 V CB 2.154 34.199 31.823 0.369 0.000 1.042 154 V HN 0.495 nan 8.190 nan 0.000 0.433 155 Y N 2.914 123.265 120.300 0.085 0.000 2.361 155 Y HA 0.829 5.386 4.550 0.012 0.000 0.337 155 Y C -1.219 174.638 175.900 -0.072 0.000 0.965 155 Y CA -1.216 56.876 58.100 -0.013 0.000 1.091 155 Y CB 2.018 40.446 38.460 -0.053 0.000 1.182 155 Y HN 0.903 nan 8.280 nan 0.000 0.450 156 L N 5.310 126.235 121.223 -0.496 0.000 2.406 156 L HA 0.617 4.964 4.340 0.011 0.000 0.272 156 L C -1.145 175.371 176.870 -0.589 0.000 0.980 156 L CA -0.199 54.407 54.840 -0.389 0.000 0.831 156 L CB 1.973 43.983 42.059 -0.081 0.000 1.253 156 L HN 0.561 nan 8.230 nan 0.000 0.406 157 S N 4.212 119.619 115.700 -0.488 0.000 2.437 157 S HA 0.828 5.305 4.470 0.011 0.000 0.305 157 S C -1.057 173.410 174.600 -0.222 0.000 1.109 157 S CA -0.454 57.526 58.200 -0.367 0.000 1.099 157 S CB 0.858 63.898 63.200 -0.266 0.000 1.004 157 S HN 0.466 nan 8.310 nan 0.000 0.475 158 V N 7.516 127.347 119.914 -0.138 0.000 2.443 158 V HA 0.431 4.558 4.120 0.011 0.000 0.293 158 V C -2.471 173.580 176.094 -0.072 0.000 1.021 158 V CA -2.107 60.105 62.300 -0.148 0.000 0.848 158 V CB 1.572 33.282 31.823 -0.188 0.000 0.998 158 V HN 0.707 nan 8.190 nan 0.000 0.424 159 P HA 0.016 nan 4.420 nan 0.000 0.264 159 P C 0.303 177.582 177.300 -0.035 0.000 1.193 159 P CA 0.049 63.087 63.100 -0.103 0.000 0.763 159 P CB 0.183 31.777 31.700 -0.177 0.000 0.810 160 Y N 2.804 123.165 120.300 0.102 0.000 2.483 160 Y HA -0.148 4.409 4.550 0.011 0.000 0.291 160 Y C 1.284 177.318 175.900 0.224 0.000 1.143 160 Y CA 1.171 59.428 58.100 0.262 0.000 1.289 160 Y CB -1.140 37.485 38.460 0.275 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.824 119.516 120.400 -0.100 0.000 2.340 161 D HA -0.095 4.552 4.640 0.011 0.000 0.220 161 D C 0.544 176.839 176.300 -0.009 0.000 1.039 161 D CA 0.479 54.468 54.000 -0.018 0.000 0.866 161 D CB -0.229 40.460 40.800 -0.185 0.000 0.913 161 D HN 0.357 nan 8.370 nan 0.000 0.523 162 D N 0.588 120.914 120.400 -0.125 0.000 2.162 162 D HA -0.060 4.587 4.640 0.011 0.000 0.203 162 D C 1.651 177.879 176.300 -0.121 0.000 0.967 162 D CA 0.572 54.442 54.000 -0.217 0.000 0.840 162 D CB -0.533 40.002 40.800 -0.443 0.000 0.972 162 D HN 0.372 nan 8.370 nan 0.000 0.482 163 W N 1.617 123.029 121.300 0.187 0.000 2.321 163 W HA -0.155 4.512 4.660 0.010 0.000 0.306 163 W C 1.771 178.424 176.519 0.222 0.000 1.217 163 W CA 0.678 58.178 57.345 0.257 0.000 1.257 163 W CB -0.224 29.454 29.460 0.363 0.000 1.145 163 W HN -0.075 nan 8.180 nan 0.000 0.509 164 D N -0.211 120.405 120.400 0.360 0.000 2.317 164 D HA -0.045 4.601 4.640 0.011 0.000 0.211 164 D C 0.997 177.394 176.300 0.162 0.000 0.966 164 D CA 0.825 54.964 54.000 0.232 0.000 0.876 164 D CB -0.255 40.652 40.800 0.179 0.000 0.927 164 D HN -0.048 nan 8.370 nan 0.000 0.519 165 K N 1.620 122.099 120.400 0.131 0.000 2.230 165 K HA 0.058 4.385 4.320 0.011 0.000 0.253 165 K C 0.163 176.823 176.600 0.099 0.000 1.008 165 K CA -0.186 56.152 56.287 0.085 0.000 0.910 165 K CB 0.450 32.974 32.500 0.040 0.000 0.994 165 K HN -0.013 nan 8.250 nan 0.000 0.495 166 D N 0.436 120.882 120.400 0.078 0.000 2.382 166 D HA 0.163 4.810 4.640 0.011 0.000 0.245 166 D C -0.086 176.265 176.300 0.085 0.000 1.120 166 D CA 0.145 54.196 54.000 0.084 0.000 0.890 166 D CB 0.880 41.719 40.800 0.065 0.000 1.201 166 D HN 0.450 nan 8.370 nan 0.000 0.433 167 A N 1.628 124.511 122.820 0.104 0.000 2.293 167 A HA 0.224 4.551 4.320 0.011 0.000 0.302 167 A C 0.060 177.692 177.584 0.080 0.000 1.119 167 A CA -0.648 51.451 52.037 0.103 0.000 0.823 167 A CB 0.734 19.821 19.000 0.145 0.000 1.097 167 A HN 0.454 nan 8.150 nan 0.000 0.491 168 D N 1.545 121.981 120.400 0.061 0.000 2.417 168 D HA 0.212 4.858 4.640 0.011 0.000 0.250 168 D C -1.618 174.710 176.300 0.048 0.000 1.166 168 D CA -1.579 52.447 54.000 0.043 0.000 0.881 168 D CB 1.056 41.868 40.800 0.021 0.000 1.164 168 D HN 0.106 nan 8.370 nan 0.000 0.467 169 P HA -0.148 nan 4.420 nan 0.000 0.217 169 P C 1.001 178.370 177.300 0.115 0.000 1.148 169 P CA 0.961 64.115 63.100 0.090 0.000 0.828 169 P CB 0.239 31.988 31.700 0.081 0.000 0.783 170 Q N -0.922 118.910 119.800 0.052 0.000 2.500 170 Q HA -0.003 4.344 4.340 0.011 0.000 0.213 170 Q C 1.900 177.794 176.000 -0.178 0.000 0.974 170 Q CA 0.840 56.639 55.803 -0.006 0.000 0.918 170 Q CB -0.801 27.954 28.738 0.028 0.000 0.980 170 Q HN 0.281 nan 8.270 nan 0.000 0.505 171 S N 0.454 116.064 115.700 -0.152 0.000 2.447 171 S HA -0.132 4.345 4.470 0.011 0.000 0.233 171 S C 1.591 175.826 174.600 -0.608 0.000 1.006 171 S CA 0.904 58.955 58.200 -0.248 0.000 0.957 171 S CB -0.351 62.786 63.200 -0.104 0.000 0.773 171 S HN 0.630 nan 8.310 nan 0.000 0.507 172 H N 0.582 119.263 119.070 -0.649 0.000 2.489 172 H HA -0.092 4.470 4.556 0.010 0.000 0.295 172 H C 1.306 176.184 175.328 -0.749 0.000 1.082 172 H CA 1.445 56.837 56.048 -1.094 0.000 1.295 172 H CB -0.717 28.787 29.762 -0.430 0.000 1.380 172 H HN 0.488 nan 8.280 nan 0.000 0.548 173 H N 0.785 119.305 119.070 -0.916 0.000 2.543 173 H HA 0.014 4.576 4.556 0.010 0.000 0.286 173 H C 2.346 177.512 175.328 -0.270 0.000 1.037 173 H CA 0.925 56.668 56.048 -0.509 0.000 1.250 173 H CB 0.322 29.810 29.762 -0.457 0.000 1.373 173 H HN 0.423 nan 8.280 nan 0.000 0.580 174 L N -0.851 120.235 121.223 -0.228 0.000 2.162 174 L HA -0.072 4.275 4.340 0.011 0.000 0.205 174 L C 2.130 179.077 176.870 0.129 0.000 1.086 174 L CA 0.141 54.961 54.840 -0.034 0.000 0.778 174 L CB -0.433 41.617 42.059 -0.016 0.000 0.928 174 L HN 0.014 nan 8.230 nan 0.000 0.446 175 F N 1.033 121.048 119.950 0.108 0.000 2.048 175 F HA -0.325 4.208 4.527 0.010 0.000 0.296 175 F C 1.786 177.654 175.800 0.114 0.000 1.109 175 F CA 1.305 59.370 58.000 0.110 0.000 1.214 175 F CB -0.917 38.146 39.000 0.106 0.000 0.963 175 F HN 0.194 nan 8.300 nan 0.000 0.491 176 D N -0.179 120.409 120.400 0.313 0.000 2.463 176 D HA 0.069 4.716 4.640 0.011 0.000 0.224 176 D C 0.295 176.711 176.300 0.194 0.000 1.174 176 D CA -0.075 54.062 54.000 0.227 0.000 0.829 176 D CB -0.056 40.861 40.800 0.196 0.000 0.993 176 D HN 0.165 nan 8.370 nan 0.000 0.497 177 R N 1.105 121.718 120.500 0.188 0.000 2.522 177 R HA 0.059 4.405 4.340 0.011 0.000 0.284 177 R C 0.253 176.636 176.300 0.139 0.000 1.032 177 R CA 0.270 56.444 56.100 0.124 0.000 1.049 177 R CB 0.578 30.915 30.300 0.062 0.000 0.956 177 R HN 0.146 nan 8.270 nan 0.000 0.422 178 H N 3.325 122.405 119.070 0.017 0.000 2.638 178 H HA 0.259 4.822 4.556 0.011 0.000 0.317 178 H C -1.296 174.001 175.328 -0.051 0.000 1.006 178 H CA -0.588 55.476 56.048 0.026 0.000 1.222 178 H CB 0.995 30.779 29.762 0.036 0.000 1.419 178 H HN 0.215 nan 8.280 nan 0.000 0.489 179 V N 4.374 124.205 119.914 -0.139 0.000 2.398 179 V HA 0.280 4.407 4.120 0.011 0.000 0.286 179 V C 0.352 176.450 176.094 0.007 0.000 1.026 179 V CA -0.550 61.694 62.300 -0.094 0.000 0.868 179 V CB 1.466 33.125 31.823 -0.273 0.000 0.982 179 V HN 0.760 nan 8.190 nan 0.000 0.443 180 S N 2.693 118.442 115.700 0.083 0.000 2.513 180 S HA 0.616 5.092 4.470 0.011 0.000 0.299 180 S C 0.378 174.997 174.600 0.031 0.000 1.087 180 S CA 0.095 58.352 58.200 0.095 0.000 1.012 180 S CB 1.884 65.173 63.200 0.148 0.000 1.044 180 S HN 0.986 nan 8.310 nan 0.000 0.485 181 S N 1.838 117.550 115.700 0.020 0.000 2.952 181 S HA 0.205 4.682 4.470 0.011 0.000 0.251 181 S C 0.219 174.818 174.600 -0.001 0.000 1.021 181 S CA -0.326 57.872 58.200 -0.003 0.000 1.067 181 S CB 0.197 63.384 63.200 -0.021 0.000 1.002 181 S HN 0.547 nan 8.310 nan 0.000 0.574 182 S N 2.788 118.498 115.700 0.016 0.000 4.120 182 S HA 0.423 4.899 4.470 0.011 0.000 0.215 182 S C 0.287 174.890 174.600 0.005 0.000 1.347 182 S CA -0.221 57.987 58.200 0.013 0.000 0.889 182 S CB -1.262 61.955 63.200 0.029 0.000 1.585 182 S HN 0.721 nan 8.310 nan 0.000 0.447 183 V N 2.616 122.528 119.914 -0.004 0.000 3.019 183 V HA 0.998 5.125 4.120 0.011 0.000 0.317 183 V C -0.694 175.394 176.094 -0.009 0.000 1.094 183 V CA -1.372 60.924 62.300 -0.007 0.000 1.000 183 V CB 1.900 33.716 31.823 -0.011 0.000 1.060 183 V HN 0.725 nan 8.190 nan 0.000 0.443 184 R N 1.791 122.287 120.500 -0.008 0.000 2.739 184 R HA 0.736 5.083 4.340 0.011 0.000 0.271 184 R C -1.026 175.270 176.300 -0.008 0.000 1.010 184 R CA -0.970 55.125 56.100 -0.007 0.000 0.897 184 R CB 0.600 30.898 30.300 -0.004 0.000 1.236 184 R HN 0.857 nan 8.270 nan 0.000 0.466 185 L N 2.028 123.247 121.223 -0.008 0.000 2.573 185 L HA 0.095 4.442 4.340 0.011 0.000 0.290 185 L C -0.365 176.501 176.870 -0.006 0.000 1.247 185 L CA 0.655 55.490 54.840 -0.008 0.000 0.876 185 L CB -0.159 41.895 42.059 -0.007 0.000 1.123 185 L HN 0.938 nan 8.230 nan 0.000 0.505 186 N N 1.924 120.620 118.700 -0.006 0.000 2.381 186 N HA -0.027 4.720 4.740 0.011 0.000 0.241 186 N C 0.448 175.956 175.510 -0.004 0.000 1.279 186 N CA 0.076 53.123 53.050 -0.005 0.000 0.896 186 N CB 0.238 38.722 38.487 -0.006 0.000 1.118 186 N HN 0.600 nan 8.380 nan 0.000 0.438 187 D N -0.091 120.307 120.400 -0.003 0.000 2.127 187 D HA -0.285 4.362 4.640 0.011 0.000 0.190 187 D C 1.570 177.869 176.300 -0.001 0.000 1.000 187 D CA 1.635 55.634 54.000 -0.002 0.000 0.839 187 D CB -0.499 40.300 40.800 -0.002 0.000 0.955 187 D HN 0.830 nan 8.370 nan 0.000 0.446 188 Q N 0.335 120.133 119.800 -0.002 0.000 2.045 188 Q HA -0.203 4.144 4.340 0.011 0.000 0.206 188 Q C 1.327 177.326 176.000 -0.002 0.000 0.991 188 Q CA 1.895 57.697 55.803 -0.002 0.000 0.851 188 Q CB 0.025 28.761 28.738 -0.002 0.000 0.911 188 Q HN 0.156 nan 8.270 nan 0.000 0.418 189 D N 0.250 120.649 120.400 -0.003 0.000 2.178 189 D HA -0.124 4.523 4.640 0.011 0.000 0.202 189 D C 1.844 178.142 176.300 -0.002 0.000 0.974 189 D CA 0.498 54.496 54.000 -0.003 0.000 0.841 189 D CB -0.141 40.657 40.800 -0.005 0.000 0.953 189 D HN 0.232 nan 8.370 nan 0.000 0.478 190 L N 1.101 122.323 121.223 -0.002 0.000 2.056 190 L HA -0.117 4.230 4.340 0.011 0.000 0.207 190 L C 1.372 178.243 176.870 0.002 0.000 1.078 190 L CA 1.768 56.608 54.840 -0.000 0.000 0.749 190 L CB -0.419 41.640 42.059 -0.000 0.000 0.901 190 L HN -0.156 nan 8.230 nan 0.000 0.433 191 D N -0.317 120.084 120.400 0.002 0.000 2.144 191 D HA -0.174 4.473 4.640 0.011 0.000 0.199 191 D C 2.343 178.645 176.300 0.003 0.000 0.984 191 D CA 1.689 55.691 54.000 0.003 0.000 0.834 191 D CB -0.049 40.752 40.800 0.003 0.000 0.955 191 D HN 0.435 nan 8.370 nan 0.000 0.465 192 I N 0.574 121.145 120.570 0.002 0.000 2.226 192 I HA -0.249 3.927 4.170 0.011 0.000 0.245 192 I C 2.392 178.511 176.117 0.003 0.000 1.100 192 I CA 0.516 61.817 61.300 0.002 0.000 1.374 192 I CB -0.137 37.863 38.000 0.001 0.000 1.057 192 I HN 0.021 nan 8.210 nan 0.000 0.413 193 L N 0.615 121.839 121.223 0.002 0.000 2.027 193 L HA -0.130 4.217 4.340 0.011 0.000 0.206 193 L C 2.419 179.293 176.870 0.007 0.000 1.074 193 L CA 1.775 56.617 54.840 0.003 0.000 0.745 193 L CB -0.574 41.486 42.059 0.001 0.000 0.898 193 L HN -0.039 nan 8.230 nan 0.000 0.433 194 V N 0.030 119.948 119.914 0.007 0.000 2.332 194 V HA -0.334 3.793 4.120 0.011 0.000 0.248 194 V C 2.634 178.735 176.094 0.010 0.000 1.055 194 V CA 2.187 64.493 62.300 0.009 0.000 1.038 194 V CB -0.813 31.015 31.823 0.009 0.000 0.651 194 V HN 0.474 nan 8.190 nan 0.000 0.450 195 K N 0.122 120.527 120.400 0.009 0.000 2.057 195 K HA -0.122 4.205 4.320 0.011 0.000 0.207 195 K C 2.336 178.943 176.600 0.011 0.000 1.049 195 K CA 1.423 57.715 56.287 0.009 0.000 0.931 195 K CB -0.418 32.087 32.500 0.007 0.000 0.714 195 K HN 0.486 nan 8.250 nan 0.000 0.440 196 A N 1.519 124.345 122.820 0.010 0.000 1.902 196 A HA -0.142 4.185 4.320 0.011 0.000 0.217 196 A C 2.122 179.715 177.584 0.016 0.000 1.181 196 A CA 1.279 53.323 52.037 0.012 0.000 0.623 196 A CB -0.616 18.390 19.000 0.010 0.000 0.818 196 A HN 0.153 nan 8.150 nan 0.000 0.443 197 L N -0.462 120.770 121.223 0.016 0.000 2.056 197 L HA -0.174 4.173 4.340 0.011 0.000 0.207 197 L C 2.187 179.070 176.870 0.022 0.000 1.078 197 L CA 1.169 56.021 54.840 0.020 0.000 0.749 197 L CB -0.668 41.401 42.059 0.018 0.000 0.901 197 L HN 0.333 nan 8.230 nan 0.000 0.433 198 N N -0.365 118.346 118.700 0.019 0.000 2.289 198 N HA -0.122 4.625 4.740 0.011 0.000 0.184 198 N C 1.917 177.438 175.510 0.019 0.000 1.016 198 N CA 1.291 54.352 53.050 0.019 0.000 0.872 198 N CB -0.115 38.381 38.487 0.015 0.000 0.973 198 N HN 0.185 nan 8.380 nan 0.000 0.433 199 S N 0.110 115.821 115.700 0.018 0.000 2.501 199 S HA 0.212 4.689 4.470 0.011 0.000 0.220 199 S C 0.859 175.472 174.600 0.021 0.000 0.997 199 S CA -0.207 58.004 58.200 0.017 0.000 0.919 199 S CB 0.049 63.257 63.200 0.015 0.000 0.778 199 S HN 0.424 nan 8.310 nan 0.000 0.523 200 A N 2.241 125.077 122.820 0.027 0.000 2.566 200 A HA 0.238 4.565 4.320 0.011 0.000 0.245 200 A C 1.408 179.014 177.584 0.036 0.000 1.056 200 A CA 0.269 52.327 52.037 0.035 0.000 0.757 200 A CB 0.087 19.113 19.000 0.044 0.000 0.979 200 A HN 0.438 nan 8.150 nan 0.000 0.508 201 S N 1.522 117.242 115.700 0.033 0.000 2.446 201 S HA -0.015 4.461 4.470 0.011 0.000 0.225 201 S C 0.727 175.349 174.600 0.037 0.000 1.016 201 S CA 0.917 59.134 58.200 0.027 0.000 0.943 201 S CB -0.118 63.091 63.200 0.015 0.000 0.786 201 S HN 0.823 nan 8.310 nan 0.000 0.508 202 N N 1.932 120.668 118.700 0.059 0.000 2.697 202 N HA 0.355 5.102 4.740 0.011 0.000 0.253 202 N C -3.207 172.446 175.510 0.238 0.000 1.604 202 N CA -1.726 51.384 53.050 0.100 0.000 0.772 202 N CB 1.299 39.785 38.487 -0.002 0.000 1.267 202 N HN 0.129 nan 8.380 nan 0.000 0.510 203 P HA 0.332 nan 4.420 nan 0.000 0.272 203 P C -1.019 176.344 177.300 0.105 0.000 1.230 203 P CA -0.296 62.886 63.100 0.137 0.000 0.788 203 P CB 1.437 33.179 31.700 0.070 0.000 0.949 204 A N 2.183 124.984 122.820 -0.032 0.000 2.486 204 A HA 0.727 5.054 4.320 0.011 0.000 0.300 204 A C -0.823 176.721 177.584 -0.067 0.000 1.048 204 A CA -0.772 51.155 52.037 -0.185 0.000 0.696 204 A CB 1.100 19.783 19.000 -0.529 0.000 1.278 204 A HN 0.429 nan 8.150 nan 0.000 0.405 205 I N 1.651 122.191 120.570 -0.051 0.000 2.465 205 I HA 0.505 4.682 4.170 0.011 0.000 0.291 205 I C -0.947 175.169 176.117 -0.002 0.000 1.014 205 I CA -0.995 60.280 61.300 -0.041 0.000 1.093 205 I CB 2.145 40.085 38.000 -0.101 0.000 1.267 205 I HN 0.315 nan 8.210 nan 0.000 0.431 206 V N 7.112 127.037 119.914 0.019 0.000 2.444 206 V HA 0.461 4.588 4.120 0.011 0.000 0.294 206 V C -0.160 175.952 176.094 0.030 0.000 1.022 206 V CA -0.503 61.820 62.300 0.037 0.000 0.850 206 V CB 1.794 33.654 31.823 0.060 0.000 0.992 206 V HN 0.472 nan 8.190 nan 0.000 0.426 207 L N 4.057 125.288 121.223 0.013 0.000 2.325 207 L HA 0.874 5.221 4.340 0.011 0.000 0.278 207 L C 0.778 177.685 176.870 0.060 0.000 1.023 207 L CA -0.291 54.572 54.840 0.039 0.000 0.811 207 L CB 1.842 43.928 42.059 0.044 0.000 1.249 207 L HN 0.739 nan 8.230 nan 0.000 0.431 208 G N 0.832 109.677 108.800 0.075 0.000 2.667 208 G HA2 0.502 4.469 3.960 0.011 0.000 0.310 208 G HA3 0.502 4.469 3.960 0.011 0.000 0.310 208 G C -2.000 172.964 174.900 0.107 0.000 1.259 208 G CA -1.009 44.141 45.100 0.084 0.000 1.019 208 G HN 0.419 nan 8.290 nan 0.000 0.496 209 P HA -0.126 nan 4.420 nan 0.000 0.216 209 P C 0.674 178.052 177.300 0.130 0.000 1.150 209 P CA 1.187 64.369 63.100 0.136 0.000 0.843 209 P CB 0.239 32.018 31.700 0.131 0.000 0.787 210 D N -0.344 120.133 120.400 0.129 0.000 2.265 210 D HA -0.080 4.567 4.640 0.011 0.000 0.208 210 D C 2.034 178.382 176.300 0.081 0.000 0.977 210 D CA 0.679 54.747 54.000 0.113 0.000 0.871 210 D CB -0.299 40.562 40.800 0.102 0.000 0.925 210 D HN 0.094 nan 8.370 nan 0.000 0.485 211 V N 1.048 121.013 119.914 0.086 0.000 2.307 211 V HA -0.228 3.898 4.120 0.011 0.000 0.245 211 V C 2.197 178.338 176.094 0.079 0.000 1.045 211 V CA 1.835 64.183 62.300 0.079 0.000 1.024 211 V CB -0.351 31.529 31.823 0.095 0.000 0.651 211 V HN 0.068 nan 8.190 nan 0.000 0.449 212 D N 0.060 120.515 120.400 0.091 0.000 2.144 212 D HA -0.110 4.537 4.640 0.011 0.000 0.200 212 D C 2.094 178.444 176.300 0.083 0.000 0.978 212 D CA 1.348 55.396 54.000 0.080 0.000 0.833 212 D CB -0.109 40.737 40.800 0.077 0.000 0.961 212 D HN 0.360 nan 8.370 nan 0.000 0.470 213 A N 0.342 123.220 122.820 0.097 0.000 1.902 213 A HA 0.041 4.368 4.320 0.011 0.000 0.217 213 A C 2.238 179.860 177.584 0.064 0.000 1.181 213 A CA 1.923 54.017 52.037 0.096 0.000 0.623 213 A CB -0.812 18.250 19.000 0.103 0.000 0.818 213 A HN 0.302 nan 8.150 nan 0.000 0.443 214 A N -1.271 121.580 122.820 0.052 0.000 2.251 214 A HA 0.250 4.577 4.320 0.011 0.000 0.209 214 A C 0.919 178.524 177.584 0.034 0.000 1.187 214 A CA 0.826 52.884 52.037 0.036 0.000 0.823 214 A CB -0.638 18.378 19.000 0.027 0.000 0.846 214 A HN 0.836 nan 8.150 nan 0.000 0.486 215 N N -2.178 116.546 118.700 0.040 0.000 2.740 215 N HA -0.227 4.520 4.740 0.011 0.000 0.248 215 N C 0.411 175.937 175.510 0.027 0.000 1.062 215 N CA 1.017 54.085 53.050 0.031 0.000 0.704 215 N CB -1.344 37.157 38.487 0.023 0.000 0.968 215 N HN 0.548 nan 8.380 nan 0.000 0.547 216 A N -0.651 122.191 122.820 0.036 0.000 2.379 216 A HA 0.214 4.541 4.320 0.011 0.000 0.236 216 A C 1.636 179.248 177.584 0.047 0.000 1.272 216 A CA 0.431 52.491 52.037 0.038 0.000 0.886 216 A CB -0.075 18.950 19.000 0.042 0.000 0.962 216 A HN 0.536 nan 8.150 nan 0.000 0.504 217 N N 1.904 120.627 118.700 0.038 0.000 2.018 217 N HA -0.216 4.530 4.740 0.011 0.000 0.196 217 N C 1.899 177.398 175.510 -0.017 0.000 1.043 217 N CA 2.065 55.131 53.050 0.027 0.000 0.856 217 N CB -0.530 37.946 38.487 -0.018 0.000 1.042 217 N HN 0.449 nan 8.380 nan 0.000 0.423 218 A N 1.187 123.986 122.820 -0.035 0.000 1.873 218 A HA -0.216 4.111 4.320 0.011 0.000 0.218 218 A C 1.779 179.357 177.584 -0.010 0.000 1.193 218 A CA 2.036 54.045 52.037 -0.046 0.000 0.629 218 A CB -0.812 18.170 19.000 -0.030 0.000 0.826 218 A HN 0.206 nan 8.150 nan 0.000 0.447 219 D N -0.662 119.748 120.400 0.015 0.000 2.182 219 D HA -0.126 4.521 4.640 0.011 0.000 0.201 219 D C 1.990 178.327 176.300 0.060 0.000 0.986 219 D CA 1.368 55.388 54.000 0.032 0.000 0.847 219 D CB -0.527 40.291 40.800 0.030 0.000 0.942 219 D HN 0.465 nan 8.370 nan 0.000 0.467 220 C N 0.038 119.395 119.300 0.094 0.000 2.450 220 C HA -0.027 4.440 4.460 0.011 0.000 0.279 220 C C 2.904 178.060 174.990 0.276 0.000 1.335 220 C CA -0.035 59.085 59.018 0.170 0.000 1.749 220 C CB -0.680 27.196 27.740 0.227 0.000 1.963 220 C HN 0.167 nan 8.230 nan 0.000 0.501 221 V N 1.013 121.029 119.914 0.170 0.000 2.295 221 V HA -0.308 3.819 4.120 0.011 0.000 0.246 221 V C 2.389 178.534 176.094 0.084 0.000 1.049 221 V CA 2.432 64.745 62.300 0.021 0.000 1.024 221 V CB -0.666 30.993 31.823 -0.275 0.000 0.648 221 V HN 0.622 nan 8.190 nan 0.000 0.447 222 M N -0.293 119.344 119.600 0.062 0.000 2.065 222 M HA -0.198 4.289 4.480 0.011 0.000 0.259 222 M C 2.065 178.409 176.300 0.074 0.000 1.069 222 M CA 2.132 57.470 55.300 0.064 0.000 1.110 222 M CB -0.423 32.202 32.600 0.042 0.000 1.328 222 M HN 0.291 nan 8.290 nan 0.000 0.405 223 L N 0.871 122.137 121.223 0.071 0.000 2.043 223 L HA -0.147 4.200 4.340 0.011 0.000 0.212 223 L C 2.436 179.342 176.870 0.059 0.000 1.075 223 L CA 2.419 57.294 54.840 0.058 0.000 0.752 223 L CB -1.182 40.908 42.059 0.051 0.000 0.891 223 L HN 0.432 nan 8.230 nan 0.000 0.432 224 A N -0.997 121.870 122.820 0.079 0.000 1.933 224 A HA -0.203 4.124 4.320 0.011 0.000 0.218 224 A C 2.136 179.775 177.584 0.091 0.000 1.175 224 A CA 1.737 53.807 52.037 0.055 0.000 0.628 224 A CB -0.574 18.450 19.000 0.040 0.000 0.814 224 A HN 0.647 nan 8.150 nan 0.000 0.444 225 E N -0.540 119.737 120.200 0.128 0.000 2.107 225 E HA -0.139 4.218 4.350 0.011 0.000 0.191 225 E C 2.261 178.914 176.600 0.089 0.000 0.982 225 E CA 0.689 57.174 56.400 0.142 0.000 0.809 225 E CB -0.135 29.663 29.700 0.165 0.000 0.756 225 E HN 0.421 nan 8.360 nan 0.000 0.459 226 R N 0.742 121.284 120.500 0.069 0.000 2.066 226 R HA -0.061 4.286 4.340 0.011 0.000 0.232 226 R C 2.334 178.661 176.300 0.046 0.000 1.131 226 R CA 0.924 57.054 56.100 0.051 0.000 0.955 226 R CB -0.714 29.611 30.300 0.042 0.000 0.851 226 R HN 0.246 nan 8.270 nan 0.000 0.432 227 L N 1.442 122.692 121.223 0.045 0.000 2.552 227 L HA 0.039 4.385 4.340 0.011 0.000 0.227 227 L C 0.136 177.033 176.870 0.046 0.000 1.146 227 L CA 0.158 55.022 54.840 0.040 0.000 0.858 227 L CB -0.209 41.869 42.059 0.033 0.000 0.969 227 L HN 0.056 nan 8.230 nan 0.000 0.451 228 K N -0.152 120.281 120.400 0.055 0.000 3.077 228 K HA -0.181 4.146 4.320 0.011 0.000 0.264 228 K C -0.023 176.609 176.600 0.054 0.000 1.008 228 K CA 0.875 57.198 56.287 0.060 0.000 0.740 228 K CB -1.907 30.623 32.500 0.051 0.000 1.273 228 K HN 0.366 nan 8.250 nan 0.000 0.477 229 A N 0.897 123.739 122.820 0.038 0.000 2.337 229 A HA 0.743 5.069 4.320 0.011 0.000 0.331 229 A C -2.227 175.328 177.584 -0.048 0.000 1.137 229 A CA -1.467 50.578 52.037 0.013 0.000 0.807 229 A CB 1.242 20.242 19.000 0.001 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.353 nan 4.420 nan 0.000 0.275 230 P C -0.843 176.246 177.300 -0.352 0.000 1.228 230 P CA -0.045 62.913 63.100 -0.237 0.000 0.786 230 P CB 1.160 32.723 31.700 -0.227 0.000 0.927 231 V N 2.849 122.433 119.914 -0.550 0.000 2.487 231 V HA 0.375 4.502 4.120 0.011 0.000 0.298 231 V C -0.578 175.107 176.094 -0.681 0.000 1.028 231 V CA -0.276 61.680 62.300 -0.573 0.000 0.860 231 V CB 1.268 32.533 31.823 -0.931 0.000 0.991 231 V HN 0.595 nan 8.190 nan 0.000 0.427 232 W N 2.556 123.627 121.300 -0.381 0.000 2.719 232 W HA 0.759 5.426 4.660 0.011 0.000 0.352 232 W C -0.564 175.780 176.519 -0.292 0.000 1.085 232 W CA -0.908 56.187 57.345 -0.417 0.000 1.187 232 W CB 1.534 30.761 29.460 -0.389 0.000 1.417 232 W HN 0.277 nan 8.180 nan 0.000 0.557 233 V N 2.824 122.698 119.914 -0.066 0.000 2.427 233 V HA 0.591 4.717 4.120 0.011 0.000 0.286 233 V C 0.545 176.530 176.094 -0.182 0.000 1.034 233 V CA -1.276 60.961 62.300 -0.105 0.000 0.893 233 V CB 0.464 32.118 31.823 -0.281 0.000 0.982 233 V HN 0.691 nan 8.190 nan 0.000 0.452 234 A N 8.421 131.173 122.820 -0.114 0.000 2.555 234 A HA 0.369 4.696 4.320 0.011 0.000 0.233 234 A C -1.804 175.666 177.584 -0.189 0.000 1.060 234 A CA -0.650 51.302 52.037 -0.142 0.000 0.759 234 A CB -0.421 18.580 19.000 0.003 0.000 0.995 234 A HN 0.705 nan 8.150 nan 0.000 0.506 235 P HA 0.036 nan 4.420 nan 0.000 0.268 235 P C 0.025 177.278 177.300 -0.079 0.000 1.208 235 P CA 0.689 63.681 63.100 -0.179 0.000 0.777 235 P CB 0.474 32.079 31.700 -0.159 0.000 0.875 236 S N -1.415 114.249 115.700 -0.060 0.000 3.641 236 S HA -0.179 4.297 4.470 0.011 0.000 0.346 236 S C 0.664 175.320 174.600 0.094 0.000 1.074 236 S CA 0.702 58.925 58.200 0.039 0.000 1.026 236 S CB -2.185 61.093 63.200 0.130 0.000 0.908 236 S HN 0.968 nan 8.310 nan 0.000 0.479 237 A N 0.762 123.591 122.820 0.015 0.000 2.563 237 A HA 0.312 4.639 4.320 0.011 0.000 0.256 237 A C -0.601 177.247 177.584 0.439 0.000 1.056 237 A CA -0.217 51.922 52.037 0.171 0.000 0.775 237 A CB 0.077 19.126 19.000 0.081 0.000 0.973 237 A HN 0.322 nan 8.150 nan 0.000 0.516 238 P HA 0.071 nan 4.420 nan 0.000 0.230 238 P C 0.217 177.742 177.300 0.375 0.000 1.168 238 P CA 0.798 64.124 63.100 0.377 0.000 0.793 238 P CB 0.363 32.174 31.700 0.184 0.000 0.851 239 R N -2.682 118.052 120.500 0.391 0.000 2.781 239 R HA 0.546 4.893 4.340 0.011 0.000 0.269 239 R C -1.434 175.122 176.300 0.427 0.000 1.025 239 R CA -0.808 55.467 56.100 0.293 0.000 0.914 239 R CB 1.056 31.421 30.300 0.108 0.000 1.236 239 R HN -0.151 nan 8.270 nan 0.000 0.465 240 C N 2.957 122.423 119.300 0.277 0.000 2.264 240 C HA 0.522 4.989 4.460 0.011 0.000 0.324 240 C C -1.684 173.407 174.990 0.169 0.000 1.267 240 C CA -1.873 57.320 59.018 0.291 0.000 1.618 240 C CB 0.659 28.411 27.740 0.019 0.000 2.278 240 C HN 0.628 nan 8.230 nan 0.000 0.499 241 P HA 0.221 nan 4.420 nan 0.000 0.268 241 P C -0.329 177.119 177.300 0.246 0.000 1.329 241 P CA 0.234 63.442 63.100 0.181 0.000 0.899 241 P CB 0.127 31.935 31.700 0.179 0.000 1.378 242 F N 1.742 121.661 119.950 -0.052 0.000 2.665 242 F HA 0.450 4.983 4.527 0.011 0.000 0.308 242 F C -2.608 173.013 175.800 -0.300 0.000 1.112 242 F CA -2.312 55.602 58.000 -0.143 0.000 0.972 242 F CB 2.144 41.091 39.000 -0.089 0.000 1.295 242 F HN -0.334 nan 8.300 nan 0.000 0.440 243 P HA 0.070 nan 4.420 nan 0.000 0.265 243 P C 0.479 177.526 177.300 -0.421 0.000 1.222 243 P CA 0.166 63.043 63.100 -0.372 0.000 0.767 243 P CB 0.733 32.235 31.700 -0.330 0.000 0.801 244 T N 0.905 115.145 114.554 -0.524 0.000 3.077 244 T HA -0.068 4.289 4.350 0.011 0.000 0.269 244 T C 1.129 175.768 174.700 -0.103 0.000 1.146 244 T CA 0.714 62.391 62.100 -0.704 0.000 1.091 244 T CB -0.350 68.310 68.868 -0.347 0.000 0.892 244 T HN 0.239 nan 8.240 nan 0.000 0.533 245 R N 0.277 120.752 120.500 -0.042 0.000 2.543 245 R HA 0.210 4.557 4.340 0.011 0.000 0.323 245 R C 0.237 176.592 176.300 0.092 0.000 1.002 245 R CA -0.355 55.779 56.100 0.056 0.000 1.106 245 R CB -0.319 29.983 30.300 0.003 0.000 1.280 245 R HN 0.597 nan 8.270 nan 0.000 0.549 246 H N 3.271 122.361 119.070 0.032 0.000 2.732 246 H HA 0.078 4.641 4.556 0.011 0.000 0.351 246 H C -1.395 174.019 175.328 0.143 0.000 1.090 246 H CA -1.299 54.783 56.048 0.057 0.000 1.431 246 H CB 1.626 31.403 29.762 0.025 0.000 1.447 246 H HN -0.135 nan 8.280 nan 0.000 0.582 247 P HA -0.174 nan 4.420 nan 0.000 0.217 247 P C 1.362 178.802 177.300 0.234 0.000 1.148 247 P CA 1.239 64.373 63.100 0.056 0.000 0.834 247 P CB -0.054 31.590 31.700 -0.094 0.000 0.783 248 C N -2.293 117.360 119.300 0.587 0.000 2.464 248 C HA 0.129 4.596 4.460 0.011 0.000 0.278 248 C C 1.487 176.520 174.990 0.072 0.000 1.375 248 C CA -0.631 58.550 59.018 0.272 0.000 1.761 248 C CB -1.877 25.995 27.740 0.222 0.000 1.944 248 C HN 0.107 nan 8.230 nan 0.000 0.509 249 F N 2.323 122.320 119.950 0.077 0.000 2.623 249 F HA 0.082 4.616 4.527 0.011 0.000 0.383 249 F C 1.290 176.904 175.800 -0.310 0.000 1.077 249 F CA 0.567 58.499 58.000 -0.113 0.000 1.268 249 F CB 0.453 39.528 39.000 0.125 0.000 1.053 249 F HN 0.049 nan 8.300 nan 0.000 0.571 250 R N 3.816 123.552 120.500 -1.274 0.000 2.565 250 R HA 0.304 4.650 4.340 0.011 0.000 0.347 250 R C 0.602 176.109 176.300 -1.322 0.000 1.010 250 R CA 0.344 55.613 56.100 -1.385 0.000 1.126 250 R CB 0.009 28.975 30.300 -2.224 0.000 1.331 250 R HN 0.970 nan 8.270 nan 0.000 0.552 251 G N 1.329 109.026 108.800 -1.839 0.000 2.698 251 G HA2 -0.281 3.686 3.960 0.011 0.000 0.225 251 G HA3 -0.281 3.686 3.960 0.011 0.000 0.225 251 G C -0.904 173.625 174.900 -0.617 0.000 1.345 251 G CA -0.490 43.978 45.100 -1.053 0.000 0.871 251 G HN 0.198 nan 8.290 nan 0.000 0.540 252 L N 0.743 121.671 121.223 -0.492 0.000 2.319 252 L HA 0.694 5.040 4.340 0.011 0.000 0.280 252 L C 1.083 177.755 176.870 -0.329 0.000 1.099 252 L CA -0.207 54.261 54.840 -0.619 0.000 0.828 252 L CB 0.539 41.965 42.059 -1.055 0.000 1.150 252 L HN 0.604 nan 8.230 nan 0.000 0.442 253 M N 7.785 127.210 119.600 -0.292 0.000 2.228 253 M HA 0.277 4.764 4.480 0.011 0.000 0.351 253 M C -1.990 174.147 176.300 -0.272 0.000 1.233 253 M CA -1.524 53.595 55.300 -0.302 0.000 1.129 253 M CB 0.462 32.797 32.600 -0.443 0.000 1.604 253 M HN 0.491 nan 8.290 nan 0.000 0.457 254 P HA 0.096 nan 4.420 nan 0.000 0.271 254 P C -0.700 176.547 177.300 -0.087 0.000 1.216 254 P CA -0.207 62.804 63.100 -0.149 0.000 0.776 254 P CB 0.559 32.185 31.700 -0.124 0.000 0.881 255 A N 2.915 125.735 122.820 -0.001 0.000 2.900 255 A HA 0.422 4.748 4.320 0.011 0.000 0.246 255 A C 0.929 178.671 177.584 0.263 0.000 1.725 255 A CA 0.121 52.247 52.037 0.147 0.000 1.400 255 A CB -1.431 17.711 19.000 0.236 0.000 0.973 255 A HN 0.639 nan 8.150 nan 0.000 0.635 256 G N -0.792 108.116 108.800 0.180 0.000 2.566 256 G HA2 0.489 4.456 3.960 0.011 0.000 0.311 256 G HA3 0.489 4.456 3.960 0.011 0.000 0.311 256 G C 0.656 175.547 174.900 -0.014 0.000 1.322 256 G CA -0.642 44.499 45.100 0.070 0.000 0.969 256 G HN 0.180 nan 8.290 nan 0.000 0.490 257 I N 1.649 121.992 120.570 -0.379 0.000 2.099 257 I HA -0.264 3.913 4.170 0.011 0.000 0.239 257 I C 3.093 179.106 176.117 -0.173 0.000 1.066 257 I CA 1.870 62.893 61.300 -0.462 0.000 1.324 257 I CB -0.141 37.470 38.000 -0.649 0.000 1.037 257 I HN 0.560 nan 8.210 nan 0.000 0.401 258 A N 0.728 123.421 122.820 -0.211 0.000 1.877 258 A HA -0.204 4.123 4.320 0.011 0.000 0.216 258 A C 2.558 180.069 177.584 -0.120 0.000 1.186 258 A CA 2.045 53.986 52.037 -0.158 0.000 0.620 258 A CB -1.033 17.864 19.000 -0.173 0.000 0.822 258 A HN 0.463 nan 8.150 nan 0.000 0.443 259 A N -0.154 122.595 122.820 -0.118 0.000 1.917 259 A HA -0.169 4.157 4.320 0.011 0.000 0.219 259 A C 2.152 179.631 177.584 -0.175 0.000 1.182 259 A CA 1.783 53.744 52.037 -0.127 0.000 0.633 259 A CB -0.642 18.291 19.000 -0.112 0.000 0.819 259 A HN 0.533 nan 8.150 nan 0.000 0.448 260 I N 0.375 120.851 120.570 -0.157 0.000 2.286 260 I HA -0.206 3.971 4.170 0.011 0.000 0.245 260 I C 2.827 178.834 176.117 -0.184 0.000 1.104 260 I CA 1.464 62.616 61.300 -0.248 0.000 1.397 260 I CB -0.283 37.574 38.000 -0.237 0.000 1.072 260 I HN 0.522 nan 8.210 nan 0.000 0.417 261 S N 0.169 115.830 115.700 -0.065 0.000 2.423 261 S HA -0.247 4.230 4.470 0.011 0.000 0.231 261 S C 1.901 176.462 174.600 -0.065 0.000 1.014 261 S CA 1.004 59.190 58.200 -0.025 0.000 0.965 261 S CB -0.312 62.893 63.200 0.008 0.000 0.785 261 S HN 0.346 nan 8.310 nan 0.000 0.495 262 Q N 1.082 120.823 119.800 -0.098 0.000 2.046 262 Q HA 0.102 4.449 4.340 0.011 0.000 0.200 262 Q C 1.975 177.908 176.000 -0.110 0.000 0.975 262 Q CA 1.211 56.959 55.803 -0.092 0.000 0.836 262 Q CB -0.815 27.865 28.738 -0.097 0.000 0.896 262 Q HN 0.458 nan 8.270 nan 0.000 0.428 263 L N -0.155 120.942 121.223 -0.210 0.000 2.042 263 L HA -0.128 4.219 4.340 0.011 0.000 0.210 263 L C 1.996 178.747 176.870 -0.199 0.000 1.076 263 L CA 1.641 56.290 54.840 -0.319 0.000 0.749 263 L CB -0.599 41.020 42.059 -0.733 0.000 0.893 263 L HN 0.313 nan 8.230 nan 0.000 0.432 264 L N -1.051 120.063 121.223 -0.180 0.000 2.554 264 L HA -0.019 4.328 4.340 0.011 0.000 0.226 264 L C 1.008 177.954 176.870 0.127 0.000 1.137 264 L CA -0.171 54.662 54.840 -0.011 0.000 0.863 264 L CB -0.407 41.614 42.059 -0.063 0.000 0.985 264 L HN 0.261 nan 8.230 nan 0.000 0.451 265 E N 0.567 120.793 120.200 0.043 0.000 2.465 265 E HA 0.117 4.474 4.350 0.011 0.000 0.260 265 E C 1.119 177.710 176.600 -0.015 0.000 0.980 265 E CA 0.842 57.253 56.400 0.018 0.000 0.927 265 E CB 0.398 30.090 29.700 -0.013 0.000 0.934 265 E HN 0.297 nan 8.360 nan 0.000 0.459 266 G N 4.132 112.902 108.800 -0.050 0.000 2.234 266 G HA2 -0.217 3.750 3.960 0.011 0.000 0.235 266 G HA3 -0.217 3.750 3.960 0.011 0.000 0.235 266 G C -0.116 174.643 174.900 -0.237 0.000 0.997 266 G CA 0.027 45.036 45.100 -0.152 0.000 0.623 266 G HN 0.710 nan 8.290 nan 0.000 0.514 267 H N 1.864 120.943 119.070 0.015 0.000 2.594 267 H HA 0.260 4.823 4.556 0.011 0.000 0.304 267 H C 1.189 176.529 175.328 0.019 0.000 1.068 267 H CA 0.255 56.317 56.048 0.024 0.000 1.308 267 H CB 1.436 31.219 29.762 0.034 0.000 1.409 267 H HN 0.473 nan 8.280 nan 0.000 0.460 268 D N 2.452 122.912 120.400 0.102 0.000 2.144 268 D HA -0.086 4.560 4.640 0.011 0.000 0.200 268 D C 0.482 176.825 176.300 0.071 0.000 0.978 268 D CA 0.587 54.626 54.000 0.066 0.000 0.833 268 D CB 0.363 41.188 40.800 0.041 0.000 0.961 268 D HN 0.112 nan 8.370 nan 0.000 0.470 269 V N 1.171 121.137 119.914 0.088 0.000 2.525 269 V HA 0.293 4.419 4.120 0.011 0.000 0.299 269 V C -0.485 175.647 176.094 0.063 0.000 1.034 269 V CA -0.970 61.368 62.300 0.063 0.000 0.863 269 V CB 2.459 34.310 31.823 0.046 0.000 0.999 269 V HN -0.066 nan 8.190 nan 0.000 0.423 270 V N 6.135 126.078 119.914 0.049 0.000 2.357 270 V HA 0.445 4.572 4.120 0.011 0.000 0.284 270 V C -0.377 175.734 176.094 0.027 0.000 1.018 270 V CA -0.561 61.759 62.300 0.033 0.000 0.841 270 V CB 1.607 33.459 31.823 0.049 0.000 0.991 270 V HN 0.658 nan 8.190 nan 0.000 0.437 271 L N 7.508 128.741 121.223 0.018 0.000 2.265 271 L HA 0.614 4.961 4.340 0.011 0.000 0.289 271 L C -0.343 176.540 176.870 0.022 0.000 1.033 271 L CA 0.226 55.074 54.840 0.013 0.000 0.814 271 L CB 1.416 43.479 42.059 0.008 0.000 1.203 271 L HN 0.438 nan 8.230 nan 0.000 0.423 272 V N 6.902 126.830 119.914 0.023 0.000 2.398 272 V HA 0.499 4.626 4.120 0.011 0.000 0.286 272 V C 0.141 176.247 176.094 0.020 0.000 1.026 272 V CA -0.421 61.905 62.300 0.043 0.000 0.868 272 V CB 1.432 33.286 31.823 0.052 0.000 0.982 272 V HN 0.602 nan 8.190 nan 0.000 0.443 273 I N 3.206 123.795 120.570 0.030 0.000 2.466 273 I HA 0.583 4.760 4.170 0.011 0.000 0.289 273 I C 1.014 177.154 176.117 0.038 0.000 1.026 273 I CA -0.578 60.737 61.300 0.025 0.000 1.078 273 I CB 1.840 39.856 38.000 0.027 0.000 1.249 273 I HN 0.828 nan 8.210 nan 0.000 0.429 274 G N 4.530 113.348 108.800 0.030 0.000 2.323 274 G HA2 -0.024 3.942 3.960 0.011 0.000 0.292 274 G HA3 -0.024 3.942 3.960 0.011 0.000 0.292 274 G C -0.056 174.884 174.900 0.067 0.000 1.040 274 G CA 0.448 45.576 45.100 0.046 0.000 0.942 274 G HN 1.084 nan 8.290 nan 0.000 0.506 275 A N -0.905 121.947 122.820 0.054 0.000 2.594 275 A HA 0.923 5.250 4.320 0.011 0.000 0.295 275 A C -2.931 174.667 177.584 0.023 0.000 1.071 275 A CA -1.333 50.740 52.037 0.060 0.000 0.685 275 A CB 1.750 20.800 19.000 0.084 0.000 1.285 275 A HN 0.099 nan 8.150 nan 0.000 0.405 276 P HA 0.397 nan 4.420 nan 0.000 0.277 276 P C -0.754 176.469 177.300 -0.127 0.000 1.240 276 P CA -0.245 62.827 63.100 -0.046 0.000 0.798 276 P CB 1.003 32.687 31.700 -0.027 0.000 0.979 277 V N 3.769 123.499 119.914 -0.306 0.000 2.259 277 V HA 0.389 4.516 4.120 0.011 0.000 0.267 277 V C -0.432 175.310 176.094 -0.587 0.000 1.051 277 V CA 0.063 61.898 62.300 -0.774 0.000 0.830 277 V CB -1.208 30.128 31.823 -0.812 0.000 1.080 277 V HN 0.458 nan 8.190 nan 0.000 0.467 278 F N 1.975 121.664 119.950 -0.434 0.000 2.599 278 F HA 0.565 5.099 4.527 0.011 0.000 0.311 278 F C 0.482 175.913 175.800 -0.616 0.000 1.076 278 F CA -1.315 56.339 58.000 -0.577 0.000 0.937 278 F CB 2.165 40.658 39.000 -0.844 0.000 1.282 278 F HN 0.147 nan 8.300 nan 0.000 0.460 279 R N 2.366 122.788 120.500 -0.130 0.000 3.688 279 R HA 0.190 4.536 4.340 0.011 0.000 0.194 279 R C -1.279 175.012 176.300 -0.015 0.000 1.677 279 R CA 0.023 56.087 56.100 -0.059 0.000 1.351 279 R CB -1.148 29.155 30.300 0.005 0.000 1.338 279 R HN 0.432 nan 8.270 nan 0.000 0.731 280 Y N 0.576 120.980 120.300 0.174 0.000 2.335 280 Y HA 0.009 4.565 4.550 0.011 0.000 0.348 280 Y C 1.561 177.597 175.900 0.226 0.000 1.280 280 Y CA 0.186 58.397 58.100 0.186 0.000 1.504 280 Y CB 0.463 39.045 38.460 0.204 0.000 1.366 280 Y HN 0.487 nan 8.280 nan 0.000 0.621 281 H N -0.316 118.958 119.070 0.341 0.000 3.539 281 H HA 0.072 4.635 4.556 0.011 0.000 0.134 281 H C -0.074 175.463 175.328 0.349 0.000 1.139 281 H CA 0.414 56.643 56.048 0.302 0.000 1.031 281 H CB -0.022 29.916 29.762 0.292 0.000 1.174 281 H HN 0.678 nan 8.280 nan 0.000 0.297 282 Q N 1.127 121.237 119.800 0.517 0.000 2.454 282 Q HA -0.045 4.302 4.340 0.011 0.000 0.247 282 Q C -0.803 175.409 176.000 0.353 0.000 1.028 282 Q CA -0.230 55.837 55.803 0.441 0.000 0.910 282 Q CB 0.473 29.377 28.738 0.278 0.000 1.276 282 Q HN 0.458 nan 8.270 nan 0.000 0.489 283 Y N 1.613 122.017 120.300 0.173 0.000 2.585 283 Y HA 0.179 4.736 4.550 0.011 0.000 0.354 283 Y C -0.941 174.970 175.900 0.018 0.000 1.024 283 Y CA -0.776 57.370 58.100 0.076 0.000 1.321 283 Y CB 0.368 38.866 38.460 0.063 0.000 1.151 283 Y HN 0.726 nan 8.280 nan 0.000 0.525 284 D N 8.997 129.188 120.400 -0.348 0.000 2.502 284 D HA 0.265 4.912 4.640 0.011 0.000 0.301 284 D C -2.899 173.095 176.300 -0.510 0.000 1.202 284 D CA -2.198 51.585 54.000 -0.362 0.000 0.878 284 D CB 0.669 41.367 40.800 -0.170 0.000 1.062 284 D HN 0.247 nan 8.370 nan 0.000 0.499 285 P HA 0.329 nan 4.420 nan 0.000 0.265 285 P C 0.423 177.498 177.300 -0.376 0.000 1.187 285 P CA 0.382 63.112 63.100 -0.617 0.000 0.766 285 P CB 1.503 32.809 31.700 -0.658 0.000 0.820 286 G N 1.819 110.414 108.800 -0.341 0.000 2.399 286 G HA2 0.107 4.074 3.960 0.011 0.000 0.256 286 G HA3 0.107 4.074 3.960 0.011 0.000 0.256 286 G C -1.633 173.093 174.900 -0.290 0.000 1.236 286 G CA -0.651 44.294 45.100 -0.259 0.000 0.914 286 G HN 0.470 nan 8.290 nan 0.000 0.482 287 Q N -0.539 119.140 119.800 -0.202 0.000 2.259 287 Q HA 0.452 4.799 4.340 0.011 0.000 0.249 287 Q C 0.295 176.226 176.000 -0.115 0.000 0.914 287 Q CA -0.535 55.168 55.803 -0.166 0.000 0.904 287 Q CB 1.760 30.457 28.738 -0.068 0.000 1.213 287 Q HN 0.568 nan 8.270 nan 0.000 0.428 288 Y N 1.103 121.408 120.300 0.008 0.000 2.242 288 Y HA -0.078 4.479 4.550 0.011 0.000 0.291 288 Y C 0.559 176.512 175.900 0.089 0.000 1.137 288 Y CA 0.533 58.675 58.100 0.070 0.000 1.181 288 Y CB 0.530 39.036 38.460 0.076 0.000 0.989 288 Y HN 0.370 nan 8.280 nan 0.000 0.527 289 L N 0.059 121.402 121.223 0.201 0.000 2.472 289 L HA 0.335 4.682 4.340 0.011 0.000 0.260 289 L C -0.833 176.077 176.870 0.066 0.000 0.963 289 L CA -1.252 53.663 54.840 0.126 0.000 0.829 289 L CB 1.974 44.106 42.059 0.121 0.000 1.348 289 L HN -0.254 nan 8.230 nan 0.000 0.408 290 K N 1.788 122.211 120.400 0.039 0.000 2.202 290 K HA 0.378 4.705 4.320 0.011 0.000 0.264 290 K C -2.375 174.238 176.600 0.022 0.000 1.010 290 K CA -1.713 54.584 56.287 0.016 0.000 0.940 290 K CB 0.663 33.165 32.500 0.002 0.000 0.983 290 K HN 0.195 nan 8.250 nan 0.000 0.475 291 P HA -0.019 nan 4.420 nan 0.000 0.265 291 P C 0.632 177.940 177.300 0.012 0.000 1.187 291 P CA 0.863 63.971 63.100 0.013 0.000 0.766 291 P CB 0.417 32.120 31.700 0.005 0.000 0.820 292 G N 1.173 109.982 108.800 0.016 0.000 2.213 292 G HA2 -0.184 3.783 3.960 0.011 0.000 0.226 292 G HA3 -0.184 3.783 3.960 0.011 0.000 0.226 292 G C 0.200 175.115 174.900 0.026 0.000 0.992 292 G CA -0.035 45.073 45.100 0.014 0.000 0.632 292 G HN 0.619 nan 8.290 nan 0.000 0.511 293 T N 1.461 116.037 114.554 0.036 0.000 2.771 293 T HA 0.617 4.974 4.350 0.011 0.000 0.281 293 T C 0.025 174.753 174.700 0.047 0.000 0.982 293 T CA -0.349 61.783 62.100 0.053 0.000 0.978 293 T CB 1.876 70.784 68.868 0.066 0.000 0.930 293 T HN 0.529 nan 8.240 nan 0.000 0.447 294 R N 3.629 124.156 120.500 0.045 0.000 2.562 294 R HA 0.691 5.038 4.340 0.011 0.000 0.298 294 R C -1.486 174.833 176.300 0.030 0.000 0.961 294 R CA -0.770 55.349 56.100 0.031 0.000 0.881 294 R CB 1.115 31.430 30.300 0.024 0.000 1.159 294 R HN 0.590 nan 8.270 nan 0.000 0.450 295 L N 5.583 126.814 121.223 0.014 0.000 2.346 295 L HA 0.592 4.938 4.340 0.011 0.000 0.276 295 L C -1.307 175.550 176.870 -0.022 0.000 1.006 295 L CA -0.760 54.081 54.840 0.001 0.000 0.817 295 L CB 1.627 43.678 42.059 -0.013 0.000 1.272 295 L HN 0.664 nan 8.230 nan 0.000 0.421 296 I N 3.768 124.327 120.570 -0.019 0.000 2.447 296 I HA 0.315 4.492 4.170 0.011 0.000 0.287 296 I C -0.509 175.586 176.117 -0.036 0.000 1.023 296 I CA -0.324 60.960 61.300 -0.026 0.000 1.083 296 I CB 2.042 40.035 38.000 -0.011 0.000 1.245 296 I HN 0.520 nan 8.210 nan 0.000 0.434 297 S N 5.741 121.407 115.700 -0.056 0.000 2.454 297 S HA 0.631 5.108 4.470 0.011 0.000 0.306 297 S C -0.761 173.812 174.600 -0.044 0.000 1.100 297 S CA -0.477 57.686 58.200 -0.063 0.000 1.087 297 S CB 1.313 64.447 63.200 -0.111 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.898 124.794 119.914 -0.029 0.000 2.313 298 V HA 0.546 4.673 4.120 0.011 0.000 0.278 298 V C 0.426 176.507 176.094 -0.022 0.000 1.017 298 V CA -0.458 61.828 62.300 -0.022 0.000 0.823 298 V CB 0.960 32.777 31.823 -0.010 0.000 1.010 298 V HN 0.940 nan 8.190 nan 0.000 0.443 299 T N 3.204 117.739 114.554 -0.032 0.000 2.916 299 T HA 0.290 4.646 4.350 0.011 0.000 0.292 299 T C 0.846 175.515 174.700 -0.052 0.000 1.055 299 T CA -0.092 61.988 62.100 -0.033 0.000 1.009 299 T CB 1.481 70.329 68.868 -0.033 0.000 1.118 299 T HN 0.821 nan 8.240 nan 0.000 0.497 300 C N 1.331 120.582 119.300 -0.082 0.000 2.791 300 C HA 0.491 4.958 4.460 0.011 0.000 0.270 300 C C 0.386 175.274 174.990 -0.169 0.000 1.257 300 C CA -0.522 58.418 59.018 -0.130 0.000 1.699 300 C CB -1.157 26.474 27.740 -0.182 0.000 1.904 300 C HN 0.739 nan 8.230 nan 0.000 0.603 301 D N 1.246 121.570 120.400 -0.127 0.000 2.471 301 D HA 0.359 5.006 4.640 0.011 0.000 0.245 301 D C -1.922 174.355 176.300 -0.038 0.000 1.116 301 D CA -1.772 52.169 54.000 -0.097 0.000 0.853 301 D CB 2.120 42.903 40.800 -0.029 0.000 1.123 301 D HN -0.084 nan 8.370 nan 0.000 0.540 302 P HA -0.087 nan 4.420 nan 0.000 0.216 302 P C 1.734 179.038 177.300 0.007 0.000 1.150 302 P CA 0.824 63.917 63.100 -0.012 0.000 0.843 302 P CB 0.385 32.083 31.700 -0.004 0.000 0.787 303 L N -0.839 120.402 121.223 0.030 0.000 2.191 303 L HA -0.183 4.164 4.340 0.011 0.000 0.212 303 L C 2.330 179.223 176.870 0.038 0.000 1.103 303 L CA 1.494 56.369 54.840 0.059 0.000 0.769 303 L CB -0.691 41.440 42.059 0.119 0.000 0.908 303 L HN 0.076 nan 8.230 nan 0.000 0.438 304 E N -0.048 120.166 120.200 0.022 0.000 2.051 304 E HA -0.143 4.214 4.350 0.011 0.000 0.189 304 E C 2.330 178.907 176.600 -0.039 0.000 0.979 304 E CA 0.979 57.377 56.400 -0.003 0.000 0.803 304 E CB -0.081 29.622 29.700 0.005 0.000 0.761 304 E HN 0.453 nan 8.360 nan 0.000 0.451 305 A N 1.264 124.062 122.820 -0.038 0.000 1.933 305 A HA -0.120 4.206 4.320 0.011 0.000 0.218 305 A C 2.304 179.858 177.584 -0.049 0.000 1.175 305 A CA 1.667 53.672 52.037 -0.053 0.000 0.628 305 A CB -0.523 18.452 19.000 -0.042 0.000 0.814 305 A HN 0.301 nan 8.150 nan 0.000 0.444 306 A N 0.773 123.576 122.820 -0.028 0.000 1.898 306 A HA -0.128 4.199 4.320 0.011 0.000 0.216 306 A C 2.168 179.734 177.584 -0.030 0.000 1.181 306 A CA 1.502 53.526 52.037 -0.021 0.000 0.620 306 A CB -0.430 18.570 19.000 0.000 0.000 0.819 306 A HN 0.695 nan 8.150 nan 0.000 0.442 307 R N -0.365 120.118 120.500 -0.028 0.000 2.299 307 R HA 0.424 4.771 4.340 0.011 0.000 0.197 307 R C 0.755 177.006 176.300 -0.083 0.000 0.971 307 R CA 0.554 56.634 56.100 -0.034 0.000 1.030 307 R CB -0.540 29.759 30.300 -0.002 0.000 0.932 307 R HN 0.271 nan 8.270 nan 0.000 0.477 308 A N 3.594 126.342 122.820 -0.120 0.000 2.545 308 A HA 0.131 4.457 4.320 0.011 0.000 0.253 308 A C -1.432 176.020 177.584 -0.220 0.000 1.074 308 A CA -1.126 50.790 52.037 -0.202 0.000 0.760 308 A CB 0.149 19.020 19.000 -0.215 0.000 1.005 308 A HN 0.297 nan 8.150 nan 0.000 0.506 309 P HA 0.041 nan 4.420 nan 0.000 0.245 309 P C -0.176 176.908 177.300 -0.360 0.000 1.212 309 P CA 0.715 63.566 63.100 -0.416 0.000 0.774 309 P CB -0.110 31.081 31.700 -0.847 0.000 0.999 310 M N -2.978 116.449 119.600 -0.288 0.000 2.833 310 M HA 0.576 5.063 4.480 0.011 0.000 0.270 310 M C -0.461 175.754 176.300 -0.142 0.000 1.209 310 M CA -0.051 55.150 55.300 -0.166 0.000 0.826 310 M CB 1.065 33.596 32.600 -0.115 0.000 1.657 310 M HN 0.032 nan 8.290 nan 0.000 0.492 311 G N 1.586 110.336 108.800 -0.083 0.000 2.829 311 G HA2 -0.066 3.901 3.960 0.011 0.000 0.628 311 G HA3 -0.066 3.901 3.960 0.011 0.000 0.628 311 G C -1.319 173.540 174.900 -0.068 0.000 1.412 311 G CA -0.087 44.971 45.100 -0.071 0.000 0.864 311 G HN 1.022 nan 8.290 nan 0.000 0.544 312 D N 0.039 120.407 120.400 -0.052 0.000 2.388 312 D HA 0.748 5.395 4.640 0.011 0.000 0.254 312 D C 0.673 176.940 176.300 -0.055 0.000 1.111 312 D CA 0.879 54.851 54.000 -0.045 0.000 0.993 312 D CB 1.644 42.427 40.800 -0.029 0.000 1.118 312 D HN 1.284 nan 8.370 nan 0.000 0.502 313 A N 0.384 123.176 122.820 -0.047 0.000 2.572 313 A HA 0.706 5.033 4.320 0.011 0.000 0.295 313 A C -1.244 176.319 177.584 -0.036 0.000 1.072 313 A CA -0.621 51.387 52.037 -0.049 0.000 0.691 313 A CB 1.255 20.219 19.000 -0.060 0.000 1.291 313 A HN 0.455 nan 8.150 nan 0.000 0.404 314 I N 1.534 122.084 120.570 -0.034 0.000 2.478 314 I HA 0.344 4.521 4.170 0.011 0.000 0.287 314 I C -0.941 175.158 176.117 -0.030 0.000 1.042 314 I CA -0.872 60.412 61.300 -0.027 0.000 1.067 314 I CB 2.136 40.124 38.000 -0.021 0.000 1.233 314 I HN 0.311 nan 8.210 nan 0.000 0.431 315 V N 5.912 125.808 119.914 -0.030 0.000 2.348 315 V HA 0.822 4.949 4.120 0.011 0.000 0.270 315 V C 0.369 176.443 176.094 -0.034 0.000 1.037 315 V CA -0.024 62.254 62.300 -0.035 0.000 0.872 315 V CB 0.575 32.377 31.823 -0.035 0.000 1.002 315 V HN 0.896 nan 8.190 nan 0.000 0.464 316 A N 3.735 126.533 122.820 -0.037 0.000 2.493 316 A HA 0.629 4.956 4.320 0.011 0.000 0.300 316 A C -1.171 176.390 177.584 -0.037 0.000 1.152 316 A CA -0.756 51.262 52.037 -0.032 0.000 0.643 316 A CB 0.969 19.956 19.000 -0.022 0.000 1.316 316 A HN 0.672 nan 8.150 nan 0.000 0.469 317 D N 0.142 120.525 120.400 -0.029 0.000 2.383 317 D HA 0.307 4.954 4.640 0.011 0.000 0.252 317 D C 1.106 177.396 176.300 -0.017 0.000 1.166 317 D CA -0.332 53.652 54.000 -0.027 0.000 0.879 317 D CB 0.352 41.143 40.800 -0.016 0.000 1.164 317 D HN 0.277 nan 8.370 nan 0.000 0.462 318 I N 3.738 124.298 120.570 -0.017 0.000 2.286 318 I HA -0.072 4.105 4.170 0.011 0.000 0.248 318 I C 2.239 178.362 176.117 0.009 0.000 1.115 318 I CA 1.113 62.412 61.300 -0.001 0.000 1.392 318 I CB -1.559 36.445 38.000 0.006 0.000 1.065 318 I HN 0.665 nan 8.210 nan 0.000 0.418 319 G N 0.724 109.529 108.800 0.009 0.000 2.433 319 G HA2 -0.179 3.788 3.960 0.011 0.000 0.216 319 G HA3 -0.179 3.788 3.960 0.011 0.000 0.216 319 G C 1.883 176.790 174.900 0.012 0.000 1.186 319 G CA 1.038 46.147 45.100 0.014 0.000 0.779 319 G HN 0.472 nan 8.290 nan 0.000 0.543 320 A N 0.431 123.255 122.820 0.007 0.000 1.908 320 A HA -0.028 4.299 4.320 0.011 0.000 0.218 320 A C 2.462 180.049 177.584 0.006 0.000 1.181 320 A CA 2.141 54.181 52.037 0.006 0.000 0.627 320 A CB -0.355 18.646 19.000 0.002 0.000 0.818 320 A HN 0.305 nan 8.150 nan 0.000 0.445 321 M N -0.577 119.025 119.600 0.004 0.000 2.099 321 M HA -0.075 4.412 4.480 0.011 0.000 0.262 321 M C 2.576 178.882 176.300 0.011 0.000 1.067 321 M CA 1.576 56.879 55.300 0.005 0.000 1.124 321 M CB -1.574 31.026 32.600 0.001 0.000 1.353 321 M HN 0.485 nan 8.290 nan 0.000 0.410 322 A N -0.351 122.478 122.820 0.016 0.000 1.883 322 A HA -0.189 4.138 4.320 0.011 0.000 0.217 322 A C 2.503 180.101 177.584 0.023 0.000 1.186 322 A CA 2.484 54.535 52.037 0.024 0.000 0.624 322 A CB -1.052 17.967 19.000 0.032 0.000 0.822 322 A HN 0.509 nan 8.150 nan 0.000 0.444 323 S N -0.438 115.273 115.700 0.018 0.000 2.348 323 S HA -0.076 4.401 4.470 0.011 0.000 0.221 323 S C 2.244 176.853 174.600 0.014 0.000 1.033 323 S CA 1.846 60.055 58.200 0.016 0.000 1.010 323 S CB -0.639 62.568 63.200 0.013 0.000 0.891 323 S HN 0.925 nan 8.310 nan 0.000 0.442 324 A N 1.644 124.471 122.820 0.011 0.000 1.873 324 A HA -0.056 4.271 4.320 0.011 0.000 0.218 324 A C 2.316 179.907 177.584 0.012 0.000 1.193 324 A CA 1.846 53.889 52.037 0.009 0.000 0.629 324 A CB -1.077 17.927 19.000 0.006 0.000 0.826 324 A HN 0.598 nan 8.150 nan 0.000 0.447 325 L N -0.931 120.300 121.223 0.013 0.000 2.017 325 L HA -0.214 4.133 4.340 0.011 0.000 0.208 325 L C 3.115 179.997 176.870 0.019 0.000 1.073 325 L CA 1.136 55.985 54.840 0.015 0.000 0.745 325 L CB -0.614 41.455 42.059 0.016 0.000 0.894 325 L HN 0.455 nan 8.230 nan 0.000 0.432 326 A N 0.157 122.991 122.820 0.023 0.000 1.978 326 A HA -0.190 4.137 4.320 0.011 0.000 0.220 326 A C 1.823 179.421 177.584 0.022 0.000 1.170 326 A CA 1.851 53.904 52.037 0.027 0.000 0.636 326 A CB -0.468 18.549 19.000 0.029 0.000 0.810 326 A HN 0.517 nan 8.150 nan 0.000 0.448 327 N N -0.890 117.820 118.700 0.018 0.000 2.280 327 N HA 0.192 4.938 4.740 0.011 0.000 0.192 327 N C 1.072 176.590 175.510 0.013 0.000 1.109 327 N CA 0.401 53.460 53.050 0.015 0.000 0.855 327 N CB 0.410 38.904 38.487 0.012 0.000 0.974 327 N HN 0.487 nan 8.380 nan 0.000 0.482 328 L N 0.189 121.420 121.223 0.014 0.000 2.577 328 L HA 0.187 4.534 4.340 0.011 0.000 0.225 328 L C 0.646 177.524 176.870 0.014 0.000 1.053 328 L CA 0.030 54.878 54.840 0.012 0.000 0.866 328 L CB 0.147 42.212 42.059 0.010 0.000 1.132 328 L HN -0.107 nan 8.230 nan 0.000 0.486 329 V N -0.778 119.146 119.914 0.017 0.000 2.872 329 V HA 0.086 4.213 4.120 0.011 0.000 0.307 329 V C 0.181 176.286 176.094 0.019 0.000 1.072 329 V CA -0.737 61.574 62.300 0.018 0.000 1.148 329 V CB 0.279 32.115 31.823 0.022 0.000 0.954 329 V HN 0.191 nan 8.190 nan 0.000 0.490 330 E N 1.635 121.846 120.200 0.019 0.000 2.349 330 E HA 0.289 4.646 4.350 0.011 0.000 0.262 330 E C -0.348 176.265 176.600 0.022 0.000 1.088 330 E CA -0.514 55.897 56.400 0.018 0.000 0.899 330 E CB 0.877 30.587 29.700 0.016 0.000 1.044 330 E HN 0.910 nan 8.360 nan 0.000 0.420 331 E N 1.498 121.711 120.200 0.022 0.000 2.166 331 E HA 0.033 4.390 4.350 0.011 0.000 0.279 331 E C -0.671 175.943 176.600 0.024 0.000 1.095 331 E CA -0.091 56.324 56.400 0.025 0.000 0.888 331 E CB 0.618 30.331 29.700 0.023 0.000 1.041 331 E HN 0.320 nan 8.360 nan 0.000 0.414 332 S N 3.039 118.756 115.700 0.028 0.000 2.572 332 S HA 0.038 4.515 4.470 0.011 0.000 0.279 332 S C 1.040 175.654 174.600 0.024 0.000 1.341 332 S CA 0.122 58.338 58.200 0.026 0.000 1.043 332 S CB 0.571 63.790 63.200 0.031 0.000 0.887 332 S HN 0.663 nan 8.310 nan 0.000 0.516 333 S N 3.916 119.629 115.700 0.021 0.000 2.558 333 S HA 0.176 4.653 4.470 0.011 0.000 0.217 333 S C 0.733 175.344 174.600 0.019 0.000 0.975 333 S CA -0.301 57.910 58.200 0.018 0.000 0.912 333 S CB -0.146 63.063 63.200 0.014 0.000 0.776 333 S HN 0.707 nan 8.310 nan 0.000 0.526 334 R N 1.528 122.042 120.500 0.022 0.000 2.861 334 R HA 0.158 4.505 4.340 0.011 0.000 0.268 334 R C 0.081 176.396 176.300 0.024 0.000 1.027 334 R CA -0.044 56.070 56.100 0.023 0.000 1.163 334 R CB 0.182 30.500 30.300 0.029 0.000 1.060 334 R HN 0.361 nan 8.270 nan 0.000 0.483 335 Q N 1.588 121.401 119.800 0.022 0.000 2.314 335 Q HA 0.061 4.408 4.340 0.011 0.000 0.258 335 Q C -0.235 175.782 176.000 0.029 0.000 0.954 335 Q CA -0.345 55.471 55.803 0.021 0.000 0.890 335 Q CB 0.829 29.576 28.738 0.015 0.000 1.210 335 Q HN 0.282 nan 8.270 nan 0.000 0.410 336 L N 5.045 126.286 121.223 0.030 0.000 2.490 336 L HA 0.157 4.504 4.340 0.011 0.000 0.274 336 L C -2.111 174.781 176.870 0.036 0.000 1.201 336 L CA -0.809 54.057 54.840 0.043 0.000 0.869 336 L CB 0.034 42.118 42.059 0.041 0.000 1.123 336 L HN 0.426 nan 8.230 nan 0.000 0.484 337 P HA 0.052 nan 4.420 nan 0.000 0.266 337 P C -0.989 176.323 177.300 0.019 0.000 1.193 337 P CA 0.041 63.158 63.100 0.029 0.000 0.770 337 P CB 0.271 31.987 31.700 0.026 0.000 0.836 338 T N 1.831 116.388 114.554 0.004 0.000 2.856 338 T HA 0.434 4.791 4.350 0.011 0.000 0.292 338 T C 0.333 175.029 174.700 -0.006 0.000 0.980 338 T CA -0.335 61.763 62.100 -0.004 0.000 1.091 338 T CB 0.556 69.420 68.868 -0.006 0.000 0.936 338 T HN 0.465 nan 8.240 nan 0.000 0.503 339 A N 2.748 125.565 122.820 -0.004 0.000 2.531 339 A HA 0.523 4.849 4.320 0.011 0.000 0.236 339 A C 0.881 178.463 177.584 -0.003 0.000 1.062 339 A CA -0.414 51.628 52.037 0.007 0.000 0.760 339 A CB -0.253 18.748 19.000 0.002 0.000 0.995 339 A HN 1.085 nan 8.150 nan 0.000 0.501 340 A N 3.933 126.751 122.820 -0.004 0.000 2.445 340 A HA 0.539 4.866 4.320 0.011 0.000 0.242 340 A C -1.357 176.226 177.584 -0.003 0.000 1.075 340 A CA -0.860 51.164 52.037 -0.021 0.000 0.777 340 A CB -0.527 18.447 19.000 -0.044 0.000 1.013 340 A HN 0.809 nan 8.150 nan 0.000 0.493 341 P HA 0.154 nan 4.420 nan 0.000 0.272 341 P C -0.470 176.833 177.300 0.005 0.000 1.223 341 P CA -0.340 62.759 63.100 -0.001 0.000 0.784 341 P CB 0.548 32.245 31.700 -0.005 0.000 0.923 342 E N 2.297 122.501 120.200 0.007 0.000 2.413 342 E HA 0.101 4.458 4.350 0.011 0.000 0.263 342 E C -1.532 175.074 176.600 0.010 0.000 1.015 342 E CA -0.949 55.458 56.400 0.011 0.000 0.916 342 E CB -0.305 29.401 29.700 0.010 0.000 0.947 342 E HN 0.447 nan 8.360 nan 0.000 0.440 343 P HA 0.078 nan 4.420 nan 0.000 0.269 343 P C -0.690 176.617 177.300 0.011 0.000 1.215 343 P CA -0.268 62.839 63.100 0.011 0.000 0.780 343 P CB 0.586 32.296 31.700 0.016 0.000 0.898 344 A N 2.720 125.544 122.820 0.006 0.000 2.425 344 A HA 0.132 4.459 4.320 0.011 0.000 0.242 344 A C 0.586 178.174 177.584 0.005 0.000 1.077 344 A CA -0.157 51.882 52.037 0.003 0.000 0.781 344 A CB -0.072 18.927 19.000 -0.003 0.000 1.020 344 A HN 0.526 nan 8.150 nan 0.000 0.494 345 K N 2.717 123.119 120.400 0.003 0.000 2.285 345 K HA 0.361 4.688 4.320 0.011 0.000 0.286 345 K C -0.640 175.953 176.600 -0.012 0.000 1.072 345 K CA -0.129 56.161 56.287 0.005 0.000 0.913 345 K CB 0.446 32.952 32.500 0.009 0.000 1.067 345 K HN 0.439 nan 8.250 nan 0.000 0.479 346 V N 3.745 123.644 119.914 -0.025 0.000 2.811 346 V HA -0.021 4.106 4.120 0.011 0.000 0.302 346 V C 0.490 176.539 176.094 -0.075 0.000 1.063 346 V CA -0.333 61.920 62.300 -0.078 0.000 1.088 346 V CB 0.798 32.535 31.823 -0.143 0.000 0.982 346 V HN 0.717 nan 8.190 nan 0.000 0.485 347 D N 2.855 123.196 120.400 -0.098 0.000 2.455 347 D HA 0.258 4.904 4.640 0.011 0.000 0.241 347 D C -0.058 176.244 176.300 0.004 0.000 1.138 347 D CA 0.359 54.334 54.000 -0.040 0.000 0.877 347 D CB 0.986 41.770 40.800 -0.028 0.000 1.187 347 D HN 0.529 nan 8.370 nan 0.000 0.451 348 Q N 2.172 122.017 119.800 0.076 0.000 2.350 348 Q HA 0.207 4.554 4.340 0.011 0.000 0.255 348 Q C -1.353 174.707 176.000 0.098 0.000 0.951 348 Q CA -0.752 55.144 55.803 0.155 0.000 0.751 348 Q CB 0.987 29.806 28.738 0.134 0.000 1.296 348 Q HN 0.379 nan 8.270 nan 0.000 0.453 349 D N 1.863 122.322 120.400 0.099 0.000 2.425 349 D HA 0.351 4.998 4.640 0.011 0.000 0.274 349 D C 0.322 176.644 176.300 0.038 0.000 1.242 349 D CA -0.008 54.026 54.000 0.057 0.000 1.060 349 D CB 0.389 41.219 40.800 0.050 0.000 1.112 349 D HN 0.432 nan 8.370 nan 0.000 0.561 350 A N -1.138 121.697 122.820 0.025 0.000 2.302 350 A HA 0.464 4.791 4.320 0.011 0.000 0.219 350 A C 1.005 178.594 177.584 0.008 0.000 1.243 350 A CA 0.394 52.441 52.037 0.017 0.000 0.856 350 A CB -1.101 17.908 19.000 0.015 0.000 0.893 350 A HN 0.532 nan 8.150 nan 0.000 0.491 351 G N -0.618 108.183 108.800 0.001 0.000 2.849 351 G HA2 0.431 4.398 3.960 0.011 0.000 0.174 351 G HA3 0.431 4.398 3.960 0.011 0.000 0.174 351 G C -0.031 174.849 174.900 -0.034 0.000 1.370 351 G CA -1.044 44.049 45.100 -0.013 0.000 1.040 351 G HN 0.431 nan 8.290 nan 0.000 0.582 352 R N -0.771 119.696 120.500 -0.055 0.000 2.697 352 R HA 0.131 4.477 4.340 0.011 0.000 0.265 352 R C -0.616 175.603 176.300 -0.135 0.000 1.009 352 R CA -0.066 55.986 56.100 -0.080 0.000 1.099 352 R CB 0.062 30.311 30.300 -0.085 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.683 123.837 121.223 -0.114 0.000 2.375 353 L HA 0.201 4.547 4.340 0.011 0.000 0.271 353 L C 0.678 177.448 176.870 -0.167 0.000 1.107 353 L CA -0.082 54.690 54.840 -0.113 0.000 0.806 353 L CB 0.532 42.554 42.059 -0.060 0.000 1.146 353 L HN 0.370 nan 8.230 nan 0.000 0.447 354 H N 2.190 121.249 119.070 -0.018 0.000 2.525 354 H HA 0.156 4.718 4.556 0.011 0.000 0.339 354 H C -1.639 173.662 175.328 -0.046 0.000 1.109 354 H CA -1.604 54.439 56.048 -0.008 0.000 1.352 354 H CB 1.410 31.179 29.762 0.011 0.000 1.461 354 H HN 0.377 nan 8.280 nan 0.000 0.533 355 P HA -0.177 nan 4.420 nan 0.000 0.216 355 P C 1.056 178.323 177.300 -0.055 0.000 1.153 355 P CA 1.400 64.460 63.100 -0.066 0.000 0.858 355 P CB 0.461 32.225 31.700 0.108 0.000 0.789 356 E N -1.055 119.237 120.200 0.153 0.000 2.070 356 E HA -0.174 4.183 4.350 0.011 0.000 0.197 356 E C 2.018 178.683 176.600 0.109 0.000 1.004 356 E CA 1.923 58.437 56.400 0.191 0.000 0.805 356 E CB -1.565 28.206 29.700 0.117 0.000 0.744 356 E HN 0.235 nan 8.360 nan 0.000 0.451 357 T N 0.319 114.915 114.554 0.071 0.000 2.684 357 T HA -0.153 4.204 4.350 0.011 0.000 0.267 357 T C 2.008 176.698 174.700 -0.016 0.000 1.036 357 T CA 1.415 63.540 62.100 0.043 0.000 1.148 357 T CB -0.396 68.510 68.868 0.065 0.000 0.863 357 T HN -0.025 nan 8.240 nan 0.000 0.436 358 V N 0.778 120.616 119.914 -0.126 0.000 2.287 358 V HA -0.159 3.968 4.120 0.011 0.000 0.248 358 V C 2.097 178.077 176.094 -0.189 0.000 1.053 358 V CA 1.764 63.929 62.300 -0.224 0.000 1.027 358 V CB -0.874 30.695 31.823 -0.423 0.000 0.646 358 V HN 0.484 nan 8.190 nan 0.000 0.447 359 F N 0.270 120.230 119.950 0.017 0.000 2.134 359 F HA -0.166 4.367 4.527 0.011 0.000 0.299 359 F C 2.407 178.198 175.800 -0.015 0.000 1.097 359 F CA 1.433 59.422 58.000 -0.019 0.000 1.264 359 F CB -0.437 38.537 39.000 -0.043 0.000 1.001 359 F HN 0.182 nan 8.300 nan 0.000 0.479 360 D N -0.203 120.295 120.400 0.163 0.000 2.117 360 D HA -0.137 4.510 4.640 0.011 0.000 0.197 360 D C 2.254 178.599 176.300 0.074 0.000 0.987 360 D CA 1.785 55.844 54.000 0.098 0.000 0.829 360 D CB -0.784 40.060 40.800 0.073 0.000 0.961 360 D HN 0.166 nan 8.370 nan 0.000 0.460 361 T N 1.015 115.604 114.554 0.058 0.000 2.708 361 T HA -0.063 4.293 4.350 0.011 0.000 0.266 361 T C 2.237 176.979 174.700 0.069 0.000 1.037 361 T CA 0.477 62.605 62.100 0.048 0.000 1.146 361 T CB -0.332 68.552 68.868 0.025 0.000 0.865 361 T HN 0.105 nan 8.240 nan 0.000 0.435 362 L N 1.261 122.541 121.223 0.095 0.000 2.012 362 L HA -0.163 4.184 4.340 0.011 0.000 0.210 362 L C 2.721 179.691 176.870 0.168 0.000 1.073 362 L CA 1.335 56.268 54.840 0.154 0.000 0.748 362 L CB -0.605 41.595 42.059 0.235 0.000 0.891 362 L HN 0.404 nan 8.230 nan 0.000 0.431 363 N N -0.284 118.495 118.700 0.131 0.000 2.104 363 N HA -0.218 4.528 4.740 0.011 0.000 0.190 363 N C 1.283 176.843 175.510 0.083 0.000 1.024 363 N CA 1.570 54.682 53.050 0.102 0.000 0.853 363 N CB 0.096 38.616 38.487 0.055 0.000 1.008 363 N HN 0.335 nan 8.380 nan 0.000 0.424 364 D N 0.280 120.721 120.400 0.067 0.000 2.149 364 D HA -0.086 4.561 4.640 0.011 0.000 0.201 364 D C 1.837 178.165 176.300 0.047 0.000 0.972 364 D CA 1.044 55.073 54.000 0.049 0.000 0.835 364 D CB -0.034 40.790 40.800 0.040 0.000 0.966 364 D HN 0.450 nan 8.370 nan 0.000 0.476 365 M N 0.273 119.906 119.600 0.056 0.000 2.486 365 M HA 0.171 4.658 4.480 0.011 0.000 0.264 365 M C 0.975 177.301 176.300 0.043 0.000 1.125 365 M CA -0.003 55.323 55.300 0.044 0.000 1.144 365 M CB 0.403 33.027 32.600 0.040 0.000 1.353 365 M HN -0.193 nan 8.290 nan 0.000 0.466 366 A N 2.595 125.457 122.820 0.070 0.000 2.407 366 A HA 0.374 4.701 4.320 0.011 0.000 0.248 366 A C -2.062 175.536 177.584 0.024 0.000 1.082 366 A CA -1.176 50.889 52.037 0.046 0.000 0.785 366 A CB -0.677 18.381 19.000 0.096 0.000 1.020 366 A HN 0.127 nan 8.150 nan 0.000 0.489 367 P HA 0.061 nan 4.420 nan 0.000 0.269 367 P C 0.166 177.460 177.300 -0.011 0.000 1.215 367 P CA -0.053 63.036 63.100 -0.017 0.000 0.780 367 P CB 0.526 32.204 31.700 -0.037 0.000 0.898 368 E N 1.238 121.435 120.200 -0.005 0.000 2.265 368 E HA -0.150 4.207 4.350 0.011 0.000 0.196 368 E C 0.807 177.400 176.600 -0.010 0.000 0.996 368 E CA 0.914 57.314 56.400 0.001 0.000 0.832 368 E CB -0.270 29.426 29.700 -0.006 0.000 0.756 368 E HN 0.531 nan 8.360 nan 0.000 0.491 369 N N 0.609 119.292 118.700 -0.029 0.000 2.321 369 N HA 0.144 4.891 4.740 0.011 0.000 0.242 369 N C -0.219 175.249 175.510 -0.070 0.000 1.141 369 N CA -0.136 52.891 53.050 -0.038 0.000 0.864 369 N CB 0.239 38.706 38.487 -0.033 0.000 1.100 369 N HN -0.062 nan 8.380 nan 0.000 0.510 370 A N 0.755 123.509 122.820 -0.111 0.000 2.406 370 A HA 0.496 4.823 4.320 0.011 0.000 0.243 370 A C 0.081 177.497 177.584 -0.279 0.000 1.082 370 A CA -0.188 51.703 52.037 -0.244 0.000 0.786 370 A CB 0.192 18.954 19.000 -0.395 0.000 1.029 370 A HN 0.401 nan 8.150 nan 0.000 0.495 371 I N 1.022 121.402 120.570 -0.317 0.000 2.418 371 I HA 0.320 4.496 4.170 0.011 0.000 0.287 371 I C -1.246 174.724 176.117 -0.245 0.000 1.008 371 I CA -0.239 60.964 61.300 -0.163 0.000 1.104 371 I CB 1.267 39.260 38.000 -0.010 0.000 1.264 371 I HN 0.617 nan 8.210 nan 0.000 0.438 372 Y N 6.086 126.408 120.300 0.037 0.000 2.387 372 Y HA 0.654 5.211 4.550 0.011 0.000 0.330 372 Y C -0.367 175.544 175.900 0.019 0.000 1.133 372 Y CA -0.817 57.306 58.100 0.038 0.000 1.152 372 Y CB 1.478 39.972 38.460 0.058 0.000 1.215 372 Y HN 0.330 nan 8.280 nan 0.000 0.466 373 L N 2.520 123.851 121.223 0.181 0.000 2.386 373 L HA 0.400 4.747 4.340 0.011 0.000 0.271 373 L C -0.653 176.288 176.870 0.119 0.000 0.993 373 L CA -0.505 54.390 54.840 0.090 0.000 0.819 373 L CB 1.989 44.090 42.059 0.070 0.000 1.294 373 L HN 0.672 nan 8.230 nan 0.000 0.414 374 N N 1.948 120.704 118.700 0.093 0.000 2.399 374 N HA 0.327 5.074 4.740 0.011 0.000 0.280 374 N C -0.814 174.914 175.510 0.363 0.000 1.008 374 N CA -0.223 52.985 53.050 0.263 0.000 0.894 374 N CB 1.258 39.947 38.487 0.337 0.000 1.273 374 N HN 0.763 nan 8.380 nan 0.000 0.486 375 E N 2.458 122.837 120.200 0.299 0.000 3.843 375 E HA 0.047 4.404 4.350 0.011 0.000 0.189 375 E C -1.301 175.452 176.600 0.255 0.000 1.013 375 E CA -0.098 56.455 56.400 0.256 0.000 1.395 375 E CB 0.475 30.276 29.700 0.168 0.000 1.136 375 E HN 0.357 nan 8.360 nan 0.000 0.444 376 S N 0.458 116.340 115.700 0.303 0.000 2.497 376 S HA 0.051 4.528 4.470 0.011 0.000 0.176 376 S C 1.432 176.207 174.600 0.292 0.000 1.445 376 S CA 0.121 58.483 58.200 0.271 0.000 1.092 376 S CB 0.053 63.425 63.200 0.287 0.000 1.216 376 S HN 0.464 nan 8.310 nan 0.000 0.486 377 T N 0.314 115.045 114.554 0.295 0.000 2.795 377 T HA -0.206 4.151 4.350 0.011 0.000 0.266 377 T C 1.617 176.450 174.700 0.221 0.000 1.056 377 T CA 2.022 64.305 62.100 0.305 0.000 1.141 377 T CB -0.687 68.351 68.868 0.284 0.000 0.840 377 T HN 0.690 nan 8.240 nan 0.000 0.493 378 S N 0.527 116.338 115.700 0.184 0.000 2.556 378 S HA 0.166 4.642 4.470 0.011 0.000 0.216 378 S C 1.555 176.199 174.600 0.072 0.000 0.970 378 S CA 0.239 58.497 58.200 0.095 0.000 0.912 378 S CB -0.141 63.135 63.200 0.126 0.000 0.790 378 S HN 0.778 nan 8.310 nan 0.000 0.504 379 T N -3.038 111.606 114.554 0.151 0.000 3.091 379 T HA 0.205 4.562 4.350 0.011 0.000 0.277 379 T C 1.244 176.022 174.700 0.129 0.000 0.996 379 T CA 0.273 62.493 62.100 0.200 0.000 0.897 379 T CB -0.258 68.847 68.868 0.396 0.000 1.109 379 T HN 0.148 nan 8.240 nan 0.000 0.534 380 T N 2.380 116.984 114.554 0.085 0.000 2.699 380 T HA -0.096 4.261 4.350 0.011 0.000 0.268 380 T C 2.370 177.087 174.700 0.029 0.000 1.036 380 T CA 1.761 63.894 62.100 0.056 0.000 1.147 380 T CB -0.728 68.150 68.868 0.016 0.000 0.862 380 T HN 0.647 nan 8.240 nan 0.000 0.446 381 A N 1.459 124.261 122.820 -0.030 0.000 1.858 381 A HA -0.197 4.130 4.320 0.011 0.000 0.216 381 A C 2.328 179.890 177.584 -0.037 0.000 1.190 381 A CA 1.819 53.831 52.037 -0.043 0.000 0.617 381 A CB -0.774 18.169 19.000 -0.095 0.000 0.827 381 A HN 0.478 nan 8.150 nan 0.000 0.443 382 Q N -0.918 118.856 119.800 -0.044 0.000 2.124 382 Q HA -0.113 4.234 4.340 0.011 0.000 0.202 382 Q C 2.106 177.941 176.000 -0.274 0.000 0.977 382 Q CA 1.702 57.480 55.803 -0.041 0.000 0.850 382 Q CB -0.489 28.322 28.738 0.122 0.000 0.901 382 Q HN 0.784 nan 8.270 nan 0.000 0.429 383 M N -1.173 118.040 119.600 -0.646 0.000 2.086 383 M HA -0.193 4.294 4.480 0.011 0.000 0.261 383 M C 1.152 177.072 176.300 -0.634 0.000 1.067 383 M CA 1.662 56.206 55.300 -1.260 0.000 1.116 383 M CB -0.154 31.692 32.600 -1.257 0.000 1.348 383 M HN 0.303 nan 8.290 nan 0.000 0.407 384 W N 0.759 121.795 121.300 -0.439 0.000 2.421 384 W HA -0.160 4.507 4.660 0.011 0.000 0.270 384 W C 2.299 178.701 176.519 -0.194 0.000 1.233 384 W CA 1.249 58.398 57.345 -0.327 0.000 1.226 384 W CB -0.038 29.260 29.460 -0.270 0.000 1.121 384 W HN 0.400 nan 8.180 nan 0.000 0.579 385 Q N -0.899 118.916 119.800 0.025 0.000 2.250 385 Q HA 0.016 4.363 4.340 0.011 0.000 0.200 385 Q C 1.813 177.803 176.000 -0.017 0.000 0.941 385 Q CA 0.756 56.577 55.803 0.030 0.000 0.872 385 Q CB -0.025 28.720 28.738 0.012 0.000 0.965 385 Q HN 0.264 nan 8.270 nan 0.000 0.480 386 R N -0.267 120.179 120.500 -0.091 0.000 2.334 386 R HA 0.241 4.588 4.340 0.011 0.000 0.216 386 R C -0.108 176.133 176.300 -0.099 0.000 0.905 386 R CA 0.030 56.098 56.100 -0.054 0.000 1.064 386 R CB 0.575 30.894 30.300 0.032 0.000 1.046 386 R HN 0.058 nan 8.270 nan 0.000 0.508 387 L N 1.442 122.535 121.223 -0.217 0.000 2.305 387 L HA 0.282 4.629 4.340 0.011 0.000 0.284 387 L C -0.400 176.355 176.870 -0.192 0.000 1.013 387 L CA -0.545 54.129 54.840 -0.276 0.000 0.819 387 L CB 1.692 43.392 42.059 -0.598 0.000 1.227 387 L HN 0.120 nan 8.230 nan 0.000 0.417 388 N N 5.147 123.789 118.700 -0.095 0.000 2.439 388 N HA 0.310 5.056 4.740 0.011 0.000 0.243 388 N C -0.815 174.661 175.510 -0.058 0.000 1.088 388 N CA -0.505 52.505 53.050 -0.068 0.000 0.940 388 N CB 0.540 39.011 38.487 -0.027 0.000 1.180 388 N HN 0.573 nan 8.380 nan 0.000 0.505 389 M N 3.656 123.187 119.600 -0.116 0.000 2.080 389 M HA 0.238 4.724 4.480 0.011 0.000 0.350 389 M C 0.956 177.185 176.300 -0.119 0.000 1.143 389 M CA -0.419 54.828 55.300 -0.088 0.000 1.064 389 M CB 1.406 33.921 32.600 -0.142 0.000 1.429 389 M HN 0.444 nan 8.290 nan 0.000 0.418 390 R N 0.521 120.972 120.500 -0.081 0.000 2.127 390 R HA 0.112 4.459 4.340 0.011 0.000 0.217 390 R C 0.389 176.626 176.300 -0.105 0.000 1.074 390 R CA 0.678 56.718 56.100 -0.100 0.000 0.991 390 R CB 0.103 30.361 30.300 -0.069 0.000 0.895 390 R HN 0.625 nan 8.270 nan 0.000 0.450 391 N N 1.152 119.807 118.700 -0.074 0.000 2.485 391 N HA 0.305 5.051 4.740 0.011 0.000 0.280 391 N C -2.603 172.872 175.510 -0.057 0.000 1.205 391 N CA -1.651 51.361 53.050 -0.064 0.000 0.959 391 N CB 0.652 39.114 38.487 -0.041 0.000 1.206 391 N HN -0.223 nan 8.380 nan 0.000 0.545 392 P HA 0.148 nan 4.420 nan 0.000 0.274 392 P C 0.278 177.573 177.300 -0.008 0.000 1.256 392 P CA 0.140 63.226 63.100 -0.023 0.000 0.795 392 P CB 0.279 31.974 31.700 -0.009 0.000 1.038 393 G N 0.510 109.305 108.800 -0.008 0.000 2.366 393 G HA2 -0.251 3.715 3.960 0.011 0.000 0.299 393 G HA3 -0.251 3.715 3.960 0.011 0.000 0.299 393 G C 0.527 175.423 174.900 -0.008 0.000 1.020 393 G CA 0.535 45.642 45.100 0.012 0.000 1.026 393 G HN 0.423 nan 8.290 nan 0.000 0.512 394 S N -1.468 114.185 115.700 -0.079 0.000 2.559 394 S HA 0.373 4.849 4.470 0.011 0.000 0.226 394 S C -0.123 174.504 174.600 0.045 0.000 1.000 394 S CA 0.100 58.298 58.200 -0.003 0.000 0.948 394 S CB 0.612 63.820 63.200 0.014 0.000 0.870 394 S HN 0.769 nan 8.310 nan 0.000 0.497 395 Y N 0.711 120.803 120.300 -0.348 0.000 2.479 395 Y HA 0.564 5.121 4.550 0.011 0.000 0.338 395 Y C -2.198 173.384 175.900 -0.530 0.000 1.055 395 Y CA -1.296 56.624 58.100 -0.300 0.000 1.023 395 Y CB 1.033 39.280 38.460 -0.355 0.000 1.287 395 Y HN 0.067 nan 8.280 nan 0.000 0.447 396 Y N 6.433 126.452 120.300 -0.468 0.000 2.433 396 Y HA 0.571 5.128 4.550 0.011 0.000 0.337 396 Y C -1.510 174.270 175.900 -0.201 0.000 1.026 396 Y CA -1.083 56.925 58.100 -0.153 0.000 1.037 396 Y CB 2.163 40.702 38.460 0.131 0.000 1.245 396 Y HN 0.587 nan 8.280 nan 0.000 0.443 397 F N 3.001 122.941 119.950 -0.016 0.000 2.574 397 F HA 0.519 5.053 4.527 0.011 0.000 0.313 397 F C -0.300 175.454 175.800 -0.077 0.000 1.130 397 F CA -1.790 56.228 58.000 0.031 0.000 0.936 397 F CB 0.901 39.975 39.000 0.124 0.000 1.219 397 F HN 0.722 nan 8.300 nan 0.000 0.445 398 C N 4.666 123.469 119.300 -0.828 0.000 2.262 398 C HA 0.357 4.824 4.460 0.011 0.000 0.410 398 C C 1.723 176.318 174.990 -0.658 0.000 1.495 398 C CA -0.037 58.395 59.018 -0.977 0.000 1.410 398 C CB -1.568 25.754 27.740 -0.695 0.000 2.542 398 C HN 1.056 nan 8.230 nan 0.000 0.624 399 A N 3.235 125.774 122.820 -0.468 0.000 2.032 399 A HA 0.125 4.452 4.320 0.011 0.000 0.221 399 A C 2.251 179.767 177.584 -0.113 0.000 1.165 399 A CA 2.041 53.977 52.037 -0.167 0.000 0.645 399 A CB -0.414 18.486 19.000 -0.166 0.000 0.807 399 A HN 1.681 nan 8.150 nan 0.000 0.453 400 A N -2.629 120.083 122.820 -0.181 0.000 2.390 400 A HA 0.469 4.796 4.320 0.011 0.000 0.232 400 A C 1.642 179.143 177.584 -0.139 0.000 1.233 400 A CA 0.978 52.949 52.037 -0.111 0.000 0.907 400 A CB -0.523 18.426 19.000 -0.085 0.000 0.967 400 A HN 1.854 nan 8.150 nan 0.000 0.512 401 G N -1.049 107.623 108.800 -0.213 0.000 2.162 401 G HA2 -0.090 3.877 3.960 0.011 0.000 0.260 401 G HA3 -0.090 3.877 3.960 0.011 0.000 0.260 401 G C 0.693 175.457 174.900 -0.227 0.000 0.976 401 G CA 0.202 45.179 45.100 -0.204 0.000 0.655 401 G HN 1.462 nan 8.290 nan 0.000 0.533 402 G N 0.350 109.008 108.800 -0.237 0.000 2.372 402 G HA2 0.558 4.525 3.960 0.011 0.000 0.286 402 G HA3 0.558 4.525 3.960 0.011 0.000 0.286 402 G C 0.530 175.281 174.900 -0.249 0.000 1.153 402 G CA -0.475 44.497 45.100 -0.213 0.000 0.985 402 G HN 0.621 nan 8.290 nan 0.000 0.429 403 L N 1.850 122.844 121.223 -0.381 0.000 2.439 403 L HA 0.441 4.788 4.340 0.011 0.000 0.269 403 L C 1.462 178.111 176.870 -0.368 0.000 1.179 403 L CA 0.785 55.346 54.840 -0.466 0.000 0.828 403 L CB 0.962 42.496 42.059 -0.874 0.000 1.106 403 L HN 0.825 nan 8.230 nan 0.000 0.467 404 G N 1.533 110.278 108.800 -0.092 0.000 2.168 404 G HA2 -0.293 3.674 3.960 0.011 0.000 0.197 404 G HA3 -0.293 3.674 3.960 0.011 0.000 0.197 404 G C 0.098 175.064 174.900 0.109 0.000 0.997 404 G CA 0.200 45.356 45.100 0.092 0.000 0.658 404 G HN 0.635 nan 8.290 nan 0.000 0.513 405 F N 1.498 121.414 119.950 -0.058 0.000 2.222 405 F HA 0.543 5.077 4.527 0.011 0.000 0.285 405 F C 2.539 178.328 175.800 -0.018 0.000 1.068 405 F CA 1.857 59.824 58.000 -0.056 0.000 1.265 405 F CB -0.557 38.375 39.000 -0.114 0.000 1.087 405 F HN 0.239 nan 8.300 nan 0.000 0.511 406 A N 1.501 124.242 122.820 -0.132 0.000 1.884 406 A HA -0.261 4.066 4.320 0.011 0.000 0.219 406 A C 2.336 179.842 177.584 -0.130 0.000 1.197 406 A CA 2.313 54.238 52.037 -0.187 0.000 0.637 406 A CB -1.546 17.500 19.000 0.077 0.000 0.827 406 A HN 0.616 nan 8.150 nan 0.000 0.450 407 L N 0.053 121.293 121.223 0.029 0.000 1.970 407 L HA -0.115 4.231 4.340 0.011 0.000 0.212 407 L C -0.300 176.644 176.870 0.123 0.000 1.071 407 L CA 2.210 57.154 54.840 0.173 0.000 0.751 407 L CB -0.801 41.336 42.059 0.130 0.000 0.889 407 L HN 0.307 nan 8.230 nan 0.000 0.432 408 P HA -0.115 nan 4.420 nan 0.000 0.218 408 P C 1.277 178.487 177.300 -0.150 0.000 1.152 408 P CA 1.831 64.908 63.100 -0.039 0.000 0.826 408 P CB -0.041 31.631 31.700 -0.047 0.000 0.790 409 A N 0.936 123.524 122.820 -0.385 0.000 1.933 409 A HA -0.073 4.253 4.320 0.011 0.000 0.218 409 A C 2.514 179.883 177.584 -0.357 0.000 1.175 409 A CA 2.140 53.843 52.037 -0.557 0.000 0.628 409 A CB -1.572 16.612 19.000 -1.360 0.000 0.814 409 A HN 0.227 nan 8.150 nan 0.000 0.444 410 A N -0.123 122.544 122.820 -0.255 0.000 1.972 410 A HA -0.081 4.246 4.320 0.011 0.000 0.219 410 A C 2.072 179.583 177.584 -0.123 0.000 1.169 410 A CA 1.510 53.439 52.037 -0.180 0.000 0.635 410 A CB -0.573 18.324 19.000 -0.172 0.000 0.810 410 A HN 0.531 nan 8.150 nan 0.000 0.446 411 I N -0.644 119.909 120.570 -0.029 0.000 2.286 411 I HA -0.142 4.035 4.170 0.011 0.000 0.245 411 I C 2.681 178.811 176.117 0.022 0.000 1.104 411 I CA 0.997 62.320 61.300 0.040 0.000 1.397 411 I CB -0.616 37.461 38.000 0.129 0.000 1.072 411 I HN 0.388 nan 8.210 nan 0.000 0.417 412 G N 0.687 109.473 108.800 -0.023 0.000 2.402 412 G HA2 -0.166 3.801 3.960 0.011 0.000 0.216 412 G HA3 -0.166 3.801 3.960 0.011 0.000 0.216 412 G C 1.723 176.660 174.900 0.061 0.000 1.162 412 G CA 0.749 45.866 45.100 0.028 0.000 0.777 412 G HN 0.209 nan 8.290 nan 0.000 0.539 413 V N 0.647 120.509 119.914 -0.088 0.000 2.295 413 V HA -0.236 3.890 4.120 0.011 0.000 0.246 413 V C 2.789 178.864 176.094 -0.032 0.000 1.049 413 V CA 2.312 64.544 62.300 -0.113 0.000 1.024 413 V CB -0.512 31.192 31.823 -0.199 0.000 0.648 413 V HN 0.424 nan 8.190 nan 0.000 0.447 414 Q N -0.211 119.569 119.800 -0.033 0.000 2.181 414 Q HA -0.207 4.140 4.340 0.011 0.000 0.205 414 Q C 1.918 177.941 176.000 0.038 0.000 0.980 414 Q CA 1.816 57.608 55.803 -0.018 0.000 0.862 414 Q CB -0.537 28.174 28.738 -0.046 0.000 0.905 414 Q HN 0.567 nan 8.270 nan 0.000 0.429 415 L N -0.408 120.873 121.223 0.097 0.000 2.141 415 L HA 0.080 4.427 4.340 0.011 0.000 0.209 415 L C 1.904 178.918 176.870 0.240 0.000 1.094 415 L CA 1.950 56.888 54.840 0.164 0.000 0.763 415 L CB -0.707 41.470 42.059 0.196 0.000 0.908 415 L HN 0.223 nan 8.230 nan 0.000 0.437 416 A N -1.591 121.352 122.820 0.205 0.000 1.975 416 A HA 0.044 4.371 4.320 0.011 0.000 0.215 416 A C 1.133 178.707 177.584 -0.017 0.000 1.170 416 A CA 0.688 52.730 52.037 0.009 0.000 0.656 416 A CB -0.137 18.704 19.000 -0.264 0.000 0.821 416 A HN 0.396 nan 8.150 nan 0.000 0.449 417 E N 0.020 120.219 120.200 -0.001 0.000 2.969 417 E HA 0.158 4.515 4.350 0.011 0.000 0.213 417 E C -2.103 174.495 176.600 -0.003 0.000 1.107 417 E CA -1.691 54.704 56.400 -0.009 0.000 1.007 417 E CB 0.804 30.496 29.700 -0.013 0.000 1.326 417 E HN 0.410 nan 8.360 nan 0.000 0.432 418 P HA -0.132 nan 4.420 nan 0.000 0.221 418 P C 0.640 177.936 177.300 -0.007 0.000 1.145 418 P CA 0.996 64.100 63.100 0.007 0.000 0.795 418 P CB 0.608 32.319 31.700 0.018 0.000 0.775 419 E N -0.368 119.826 120.200 -0.010 0.000 2.479 419 E HA 0.092 4.449 4.350 0.011 0.000 0.193 419 E C 0.620 177.204 176.600 -0.026 0.000 1.049 419 E CA 0.196 56.587 56.400 -0.016 0.000 0.870 419 E CB 0.155 29.848 29.700 -0.013 0.000 0.944 419 E HN 0.420 nan 8.360 nan 0.000 0.492 420 R N 1.020 121.500 120.500 -0.032 0.000 2.480 420 R HA 0.252 4.599 4.340 0.011 0.000 0.306 420 R C -0.320 175.938 176.300 -0.069 0.000 0.958 420 R CA -0.849 55.222 56.100 -0.048 0.000 0.861 420 R CB 1.396 31.671 30.300 -0.042 0.000 1.171 420 R HN -0.163 nan 8.270 nan 0.000 0.445 421 Q N 2.386 122.132 119.800 -0.090 0.000 2.262 421 Q HA 0.106 4.452 4.340 0.011 0.000 0.272 421 Q C -0.901 174.997 176.000 -0.169 0.000 1.076 421 Q CA 0.205 55.939 55.803 -0.116 0.000 0.905 421 Q CB 0.862 29.531 28.738 -0.114 0.000 1.182 421 Q HN 0.393 nan 8.270 nan 0.000 0.390 422 V N 6.848 126.663 119.914 -0.165 0.000 2.439 422 V HA 0.420 4.547 4.120 0.011 0.000 0.282 422 V C 0.100 176.051 176.094 -0.238 0.000 1.039 422 V CA -0.441 61.743 62.300 -0.194 0.000 0.913 422 V CB 1.094 32.818 31.823 -0.165 0.000 0.983 422 V HN 0.720 nan 8.190 nan 0.000 0.460 423 I N 4.261 124.684 120.570 -0.245 0.000 2.468 423 I HA 0.596 4.773 4.170 0.011 0.000 0.284 423 I C 0.105 176.197 176.117 -0.042 0.000 1.038 423 I CA -0.523 60.676 61.300 -0.168 0.000 1.083 423 I CB 1.755 39.669 38.000 -0.144 0.000 1.223 423 I HN 0.638 nan 8.210 nan 0.000 0.443 424 A N 6.719 129.492 122.820 -0.078 0.000 2.249 424 A HA 0.663 4.990 4.320 0.011 0.000 0.314 424 A C -0.355 177.306 177.584 0.128 0.000 1.290 424 A CA -0.441 51.616 52.037 0.033 0.000 0.893 424 A CB 0.707 19.699 19.000 -0.013 0.000 1.165 424 A HN 0.461 nan 8.150 nan 0.000 0.530 425 V N 5.147 125.180 119.914 0.197 0.000 2.334 425 V HA 0.310 4.437 4.120 0.011 0.000 0.267 425 V C -0.112 176.100 176.094 0.198 0.000 1.040 425 V CA 0.204 62.629 62.300 0.208 0.000 0.866 425 V CB -0.022 31.990 31.823 0.315 0.000 1.019 425 V HN 0.701 nan 8.190 nan 0.000 0.468 426 I N 3.613 124.273 120.570 0.150 0.000 2.509 426 I HA 0.586 4.763 4.170 0.011 0.000 0.293 426 I C 0.966 177.132 176.117 0.081 0.000 1.020 426 I CA -0.551 60.833 61.300 0.140 0.000 1.088 426 I CB 1.970 40.057 38.000 0.145 0.000 1.267 426 I HN 0.634 nan 8.210 nan 0.000 0.430 427 G N 2.747 111.622 108.800 0.124 0.000 2.569 427 G HA2 0.052 4.018 3.960 0.011 0.000 0.249 427 G HA3 0.052 4.018 3.960 0.011 0.000 0.249 427 G C 0.843 175.773 174.900 0.051 0.000 1.216 427 G CA -0.286 44.877 45.100 0.106 0.000 0.845 427 G HN 0.849 nan 8.290 nan 0.000 0.568 428 D N 0.730 121.127 120.400 -0.004 0.000 2.218 428 D HA -0.111 4.535 4.640 0.011 0.000 0.204 428 D C 2.025 178.499 176.300 0.290 0.000 0.976 428 D CA 1.347 55.322 54.000 -0.042 0.000 0.853 428 D CB -0.589 40.256 40.800 0.075 0.000 0.939 428 D HN 0.459 nan 8.370 nan 0.000 0.481 429 G N 0.359 109.353 108.800 0.324 0.000 2.395 429 G HA2 -0.174 3.793 3.960 0.011 0.000 0.214 429 G HA3 -0.174 3.793 3.960 0.011 0.000 0.214 429 G C 1.859 177.093 174.900 0.556 0.000 1.177 429 G CA 0.751 46.146 45.100 0.492 0.000 0.794 429 G HN 0.324 nan 8.290 nan 0.000 0.532 430 S N 1.219 117.207 115.700 0.481 0.000 2.383 430 S HA -0.063 4.413 4.470 0.011 0.000 0.229 430 S C 2.735 177.605 174.600 0.451 0.000 1.030 430 S CA 1.155 59.639 58.200 0.473 0.000 1.002 430 S CB -0.365 62.983 63.200 0.248 0.000 0.829 430 S HN 0.574 nan 8.310 nan 0.000 0.467 431 A N 2.565 125.574 122.820 0.314 0.000 2.032 431 A HA -0.183 4.144 4.320 0.011 0.000 0.221 431 A C 1.893 179.657 177.584 0.301 0.000 1.165 431 A CA 1.489 53.686 52.037 0.267 0.000 0.645 431 A CB -0.552 18.559 19.000 0.186 0.000 0.807 431 A HN 0.514 nan 8.150 nan 0.000 0.453 432 N N -1.174 117.710 118.700 0.306 0.000 2.216 432 N HA -0.143 4.603 4.740 0.011 0.000 0.183 432 N C 1.516 177.078 175.510 0.086 0.000 1.017 432 N CA 1.514 54.655 53.050 0.152 0.000 0.861 432 N CB -0.537 37.973 38.487 0.037 0.000 0.986 432 N HN 0.636 nan 8.380 nan 0.000 0.428 433 Y N 1.557 121.936 120.300 0.130 0.000 2.096 433 Y HA -0.144 4.412 4.550 0.011 0.000 0.278 433 Y C 1.658 177.600 175.900 0.071 0.000 1.192 433 Y CA 1.209 59.365 58.100 0.094 0.000 1.143 433 Y CB -0.278 38.233 38.460 0.085 0.000 0.963 433 Y HN -0.046 nan 8.280 nan 0.000 0.505 434 S N -0.813 115.024 115.700 0.228 0.000 2.592 434 S HA 0.143 4.620 4.470 0.011 0.000 0.243 434 S C 1.177 175.821 174.600 0.073 0.000 1.160 434 S CA -0.340 57.933 58.200 0.123 0.000 1.145 434 S CB -0.082 63.179 63.200 0.101 0.000 0.909 434 S HN 0.238 nan 8.310 nan 0.000 0.487 435 I N 2.944 123.570 120.570 0.093 0.000 2.248 435 I HA -0.220 3.956 4.170 0.011 0.000 0.248 435 I C 2.339 178.453 176.117 -0.005 0.000 1.107 435 I CA 1.849 63.201 61.300 0.088 0.000 1.373 435 I CB -0.318 37.774 38.000 0.154 0.000 1.055 435 I HN 0.470 nan 8.210 nan 0.000 0.418 436 S N 0.568 116.221 115.700 -0.077 0.000 2.500 436 S HA -0.059 4.418 4.470 0.011 0.000 0.239 436 S C 2.174 176.541 174.600 -0.388 0.000 0.989 436 S CA 0.658 58.594 58.200 -0.440 0.000 0.951 436 S CB -0.963 62.080 63.200 -0.263 0.000 0.759 436 S HN 0.513 nan 8.310 nan 0.000 0.523 437 A N 2.208 124.937 122.820 -0.152 0.000 1.978 437 A HA 0.080 4.407 4.320 0.011 0.000 0.220 437 A C 2.181 179.729 177.584 -0.059 0.000 1.170 437 A CA 1.296 53.300 52.037 -0.054 0.000 0.636 437 A CB -0.867 18.129 19.000 -0.007 0.000 0.810 437 A HN 0.572 nan 8.150 nan 0.000 0.448 438 L N -2.554 118.569 121.223 -0.166 0.000 2.051 438 L HA -0.276 4.071 4.340 0.011 0.000 0.214 438 L C 2.461 179.328 176.870 -0.006 0.000 1.076 438 L CA 1.945 56.692 54.840 -0.155 0.000 0.758 438 L CB -0.545 41.441 42.059 -0.122 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.949 122.084 121.300 -0.275 0.000 2.321 439 W HA -0.260 4.407 4.660 0.011 0.000 0.306 439 W C 2.591 179.097 176.519 -0.022 0.000 1.217 439 W CA 2.351 59.618 57.345 -0.131 0.000 1.257 439 W CB -0.412 28.888 29.460 -0.267 0.000 1.145 439 W HN -0.001 nan 8.180 nan 0.000 0.509 440 T N 0.356 115.011 114.554 0.167 0.000 2.788 440 T HA -0.206 4.151 4.350 0.011 0.000 0.268 440 T C 1.928 176.687 174.700 0.098 0.000 1.044 440 T CA 1.926 64.122 62.100 0.159 0.000 1.139 440 T CB -0.905 68.139 68.868 0.294 0.000 0.867 440 T HN 0.266 nan 8.240 nan 0.000 0.454 441 A N 1.398 124.275 122.820 0.095 0.000 1.902 441 A HA 0.147 4.474 4.320 0.011 0.000 0.217 441 A C 2.627 180.224 177.584 0.022 0.000 1.181 441 A CA 1.844 53.956 52.037 0.126 0.000 0.623 441 A CB -1.074 18.076 19.000 0.250 0.000 0.818 441 A HN 0.511 nan 8.150 nan 0.000 0.443 442 A N -1.226 121.544 122.820 -0.084 0.000 1.855 442 A HA -0.162 4.165 4.320 0.011 0.000 0.215 442 A C 2.145 179.542 177.584 -0.312 0.000 1.191 442 A CA 1.616 53.557 52.037 -0.161 0.000 0.613 442 A CB -0.553 18.342 19.000 -0.175 0.000 0.829 442 A HN 0.461 nan 8.150 nan 0.000 0.442 443 Q N -0.997 118.435 119.800 -0.615 0.000 2.061 443 Q HA -0.186 4.161 4.340 0.011 0.000 0.204 443 Q C 1.249 176.837 176.000 -0.687 0.000 0.984 443 Q CA 1.729 57.023 55.803 -0.848 0.000 0.846 443 Q CB -0.436 27.416 28.738 -1.477 0.000 0.902 443 Q HN 0.865 nan 8.270 nan 0.000 0.421 444 Y N -0.011 120.166 120.300 -0.205 0.000 2.493 444 Y HA 0.131 4.688 4.550 0.011 0.000 0.275 444 Y C 0.346 176.203 175.900 -0.071 0.000 1.183 444 Y CA -0.394 57.640 58.100 -0.110 0.000 1.258 444 Y CB -0.357 38.056 38.460 -0.079 0.000 1.108 444 Y HN 0.164 nan 8.280 nan 0.000 0.521 445 N N 1.403 120.101 118.700 -0.004 0.000 2.686 445 N HA -0.229 4.518 4.740 0.011 0.000 0.261 445 N C -1.114 174.426 175.510 0.049 0.000 1.001 445 N CA 0.291 53.347 53.050 0.010 0.000 0.764 445 N CB -1.105 37.380 38.487 -0.005 0.000 0.898 445 N HN 0.404 nan 8.380 nan 0.000 0.544 446 I N 1.473 122.087 120.570 0.073 0.000 2.287 446 I HA 0.202 4.379 4.170 0.011 0.000 0.290 446 I C -1.277 174.871 176.117 0.052 0.000 1.069 446 I CA -2.021 59.321 61.300 0.069 0.000 1.237 446 I CB 1.167 39.223 38.000 0.093 0.000 1.418 446 I HN 0.124 nan 8.210 nan 0.000 0.481 447 P HA -0.066 nan 4.420 nan 0.000 0.311 447 P C 0.152 177.419 177.300 -0.056 0.000 1.543 447 P CA 0.223 63.322 63.100 -0.001 0.000 0.766 447 P CB -0.701 30.994 31.700 -0.009 0.000 1.711 448 T N 1.244 115.743 114.554 -0.092 0.000 2.918 448 T HA 0.249 4.606 4.350 0.011 0.000 0.302 448 T C 0.751 175.196 174.700 -0.426 0.000 1.045 448 T CA 0.258 62.164 62.100 -0.322 0.000 1.114 448 T CB 0.679 69.238 68.868 -0.516 0.000 0.965 448 T HN 0.064 nan 8.240 nan 0.000 0.540 449 I N 3.139 123.425 120.570 -0.473 0.000 2.362 449 I HA 0.349 4.526 4.170 0.011 0.000 0.289 449 I C -0.899 174.971 176.117 -0.412 0.000 0.994 449 I CA -0.653 60.471 61.300 -0.292 0.000 1.158 449 I CB 0.938 38.861 38.000 -0.129 0.000 1.315 449 I HN 0.509 nan 8.210 nan 0.000 0.451 450 F N 6.004 125.971 119.950 0.029 0.000 2.361 450 F HA 0.381 4.915 4.527 0.011 0.000 0.364 450 F C 0.101 175.915 175.800 0.023 0.000 1.117 450 F CA -0.885 57.135 58.000 0.032 0.000 1.071 450 F CB 1.255 40.279 39.000 0.040 0.000 1.188 450 F HN 0.016 nan 8.300 nan 0.000 0.464 451 V N 5.649 125.655 119.914 0.153 0.000 2.304 451 V HA 0.259 4.386 4.120 0.011 0.000 0.269 451 V C 0.110 176.232 176.094 0.047 0.000 1.036 451 V CA -0.570 61.781 62.300 0.085 0.000 0.840 451 V CB 0.564 32.425 31.823 0.064 0.000 1.036 451 V HN 0.427 nan 8.190 nan 0.000 0.466 452 I N 6.049 126.606 120.570 -0.022 0.000 2.337 452 I HA 0.282 4.458 4.170 0.011 0.000 0.291 452 I C 0.306 176.332 176.117 -0.151 0.000 1.046 452 I CA -0.262 60.941 61.300 -0.162 0.000 1.324 452 I CB 1.163 38.900 38.000 -0.440 0.000 1.409 452 I HN 0.441 nan 8.210 nan 0.000 0.494 453 M N 5.868 125.408 119.600 -0.099 0.000 2.264 453 M HA 0.137 4.624 4.480 0.011 0.000 0.340 453 M C 0.181 176.440 176.300 -0.069 0.000 1.420 453 M CA -0.018 55.244 55.300 -0.064 0.000 1.254 453 M CB -0.572 32.021 32.600 -0.011 0.000 1.575 453 M HN 0.358 nan 8.290 nan 0.000 0.452 454 N N 3.825 122.486 118.700 -0.064 0.000 2.527 454 N HA 0.161 4.908 4.740 0.011 0.000 0.236 454 N C -0.100 175.430 175.510 0.034 0.000 0.999 454 N CA -0.083 52.961 53.050 -0.010 0.000 0.935 454 N CB 0.468 38.974 38.487 0.033 0.000 1.132 454 N HN 0.494 nan 8.380 nan 0.000 0.511 455 N N 2.028 120.761 118.700 0.054 0.000 2.200 455 N HA 0.162 4.908 4.740 0.011 0.000 0.224 455 N C 0.895 176.442 175.510 0.062 0.000 1.179 455 N CA 0.062 53.144 53.050 0.053 0.000 0.877 455 N CB 0.043 38.566 38.487 0.060 0.000 1.072 455 N HN 0.453 nan 8.380 nan 0.000 0.519 456 G N -0.906 107.940 108.800 0.076 0.000 2.233 456 G HA2 -0.264 3.702 3.960 0.011 0.000 0.270 456 G HA3 -0.264 3.702 3.960 0.011 0.000 0.270 456 G C -0.009 174.900 174.900 0.016 0.000 1.011 456 G CA 1.059 46.193 45.100 0.057 0.000 0.762 456 G HN 0.803 nan 8.290 nan 0.000 0.511 457 T N -1.963 112.612 114.554 0.035 0.000 2.821 457 T HA 0.505 4.862 4.350 0.011 0.000 0.306 457 T C -0.558 174.215 174.700 0.123 0.000 1.313 457 T CA -0.632 61.478 62.100 0.017 0.000 1.012 457 T CB 0.904 69.814 68.868 0.070 0.000 1.298 457 T HN 0.242 nan 8.240 nan 0.000 0.502 458 Y N 2.602 122.990 120.300 0.146 0.000 2.623 458 Y HA 0.236 4.793 4.550 0.011 0.000 0.341 458 Y C 1.888 177.899 175.900 0.185 0.000 1.292 458 Y CA -0.538 57.665 58.100 0.172 0.000 1.840 458 Y CB 0.017 38.580 38.460 0.172 0.000 1.865 458 Y HN 0.961 nan 8.280 nan 0.000 0.440 459 G N 1.514 110.506 108.800 0.320 0.000 2.599 459 G HA2 -0.428 3.539 3.960 0.011 0.000 0.219 459 G HA3 -0.428 3.539 3.960 0.011 0.000 0.219 459 G C 1.834 176.919 174.900 0.310 0.000 1.193 459 G CA 1.186 46.446 45.100 0.266 0.000 0.778 459 G HN 0.649 nan 8.290 nan 0.000 0.589 460 A N 0.448 123.459 122.820 0.318 0.000 1.917 460 A HA -0.018 4.309 4.320 0.011 0.000 0.219 460 A C 2.501 180.409 177.584 0.540 0.000 1.182 460 A CA 1.682 53.952 52.037 0.387 0.000 0.633 460 A CB -0.449 18.767 19.000 0.359 0.000 0.819 460 A HN 0.401 nan 8.150 nan 0.000 0.448 461 L N -1.448 120.027 121.223 0.421 0.000 2.083 461 L HA -0.177 4.170 4.340 0.011 0.000 0.209 461 L C 2.822 179.911 176.870 0.365 0.000 1.083 461 L CA 1.436 56.507 54.840 0.385 0.000 0.752 461 L CB -0.570 41.646 42.059 0.261 0.000 0.899 461 L HN 0.383 nan 8.230 nan 0.000 0.433 462 R N -0.962 119.733 120.500 0.325 0.000 2.120 462 R HA -0.224 4.122 4.340 0.011 0.000 0.234 462 R C 2.080 178.530 176.300 0.251 0.000 1.123 462 R CA 1.813 58.062 56.100 0.248 0.000 0.975 462 R CB -0.357 30.073 30.300 0.217 0.000 0.866 462 R HN 0.419 nan 8.270 nan 0.000 0.446 463 W N 0.551 121.934 121.300 0.138 0.000 2.378 463 W HA -0.125 4.542 4.660 0.011 0.000 0.313 463 W C 1.545 178.074 176.519 0.017 0.000 1.197 463 W CA 1.219 58.591 57.345 0.044 0.000 1.304 463 W CB -0.570 28.878 29.460 -0.020 0.000 1.148 463 W HN -0.102 nan 8.180 nan 0.000 0.494 464 F N 0.919 120.955 119.950 0.143 0.000 2.161 464 F HA -0.209 4.325 4.527 0.011 0.000 0.300 464 F C 2.573 178.288 175.800 -0.141 0.000 1.089 464 F CA 2.080 60.028 58.000 -0.087 0.000 1.282 464 F CB -1.234 37.841 39.000 0.125 0.000 1.010 464 F HN 0.006 nan 8.300 nan 0.000 0.485 465 A N 0.273 123.178 122.820 0.141 0.000 1.917 465 A HA -0.154 4.173 4.320 0.011 0.000 0.219 465 A C 2.565 180.125 177.584 -0.040 0.000 1.182 465 A CA 1.963 54.040 52.037 0.066 0.000 0.633 465 A CB -1.612 17.443 19.000 0.090 0.000 0.819 465 A HN 0.416 nan 8.150 nan 0.000 0.448 466 G N -0.240 108.481 108.800 -0.133 0.000 2.433 466 G HA2 -0.146 3.821 3.960 0.011 0.000 0.216 466 G HA3 -0.146 3.821 3.960 0.011 0.000 0.216 466 G C 1.667 176.415 174.900 -0.253 0.000 1.186 466 G CA 2.170 47.154 45.100 -0.193 0.000 0.779 466 G HN 1.048 nan 8.290 nan 0.000 0.543 467 V N -0.736 118.914 119.914 -0.440 0.000 2.358 467 V HA 0.040 4.166 4.120 0.011 0.000 0.246 467 V C 2.611 178.603 176.094 -0.171 0.000 1.047 467 V CA 1.482 63.551 62.300 -0.384 0.000 1.035 467 V CB -0.580 30.866 31.823 -0.628 0.000 0.658 467 V HN 0.266 nan 8.190 nan 0.000 0.452 468 L N 0.194 121.359 121.223 -0.096 0.000 2.610 468 L HA 0.171 4.517 4.340 0.011 0.000 0.232 468 L C 0.902 177.762 176.870 -0.018 0.000 1.149 468 L CA 0.525 55.359 54.840 -0.009 0.000 0.872 468 L CB -0.933 41.159 42.059 0.055 0.000 0.992 468 L HN 0.500 nan 8.230 nan 0.000 0.447 469 E N -0.195 119.978 120.200 -0.045 0.000 2.222 469 E HA -0.210 4.147 4.350 0.011 0.000 0.189 469 E C -0.027 176.569 176.600 -0.008 0.000 1.415 469 E CA 0.224 56.605 56.400 -0.031 0.000 0.689 469 E CB -1.104 28.579 29.700 -0.027 0.000 1.107 469 E HN 0.447 nan 8.360 nan 0.000 0.350 470 A N 2.028 124.850 122.820 0.003 0.000 2.331 470 A HA 0.586 4.913 4.320 0.011 0.000 0.320 470 A C -0.035 177.562 177.584 0.023 0.000 1.138 470 A CA -0.601 51.447 52.037 0.018 0.000 0.790 470 A CB 1.103 20.123 19.000 0.033 0.000 1.206 470 A HN 0.251 nan 8.150 nan 0.000 0.470 471 E N 1.145 121.358 120.200 0.022 0.000 2.339 471 E HA 0.385 4.742 4.350 0.011 0.000 0.262 471 E C -0.677 175.940 176.600 0.029 0.000 0.934 471 E CA -1.271 55.144 56.400 0.025 0.000 0.802 471 E CB 1.009 30.720 29.700 0.018 0.000 1.275 471 E HN 0.664 nan 8.360 nan 0.000 0.427 472 N N -0.268 118.450 118.700 0.031 0.000 2.727 472 N HA -0.150 4.597 4.740 0.011 0.000 0.249 472 N C -0.945 174.587 175.510 0.037 0.000 1.048 472 N CA 0.439 53.508 53.050 0.031 0.000 0.714 472 N CB -1.216 37.286 38.487 0.024 0.000 0.959 472 N HN 0.137 nan 8.380 nan 0.000 0.544 473 V N 2.040 121.982 119.914 0.048 0.000 2.385 473 V HA 0.284 4.411 4.120 0.011 0.000 0.269 473 V C -0.821 175.313 176.094 0.066 0.000 1.043 473 V CA -0.898 61.437 62.300 0.059 0.000 0.906 473 V CB 1.277 33.144 31.823 0.073 0.000 0.995 473 V HN 0.148 nan 8.190 nan 0.000 0.467 474 P HA 0.296 nan 4.420 nan 0.000 0.277 474 P C 0.646 178.001 177.300 0.091 0.000 1.271 474 P CA 0.240 63.378 63.100 0.064 0.000 0.795 474 P CB 0.803 32.533 31.700 0.051 0.000 1.101 475 G N 0.042 108.893 108.800 0.086 0.000 2.341 475 G HA2 -0.236 3.731 3.960 0.011 0.000 0.292 475 G HA3 -0.236 3.731 3.960 0.011 0.000 0.292 475 G C 0.521 175.536 174.900 0.191 0.000 1.021 475 G CA 0.464 45.635 45.100 0.118 0.000 0.905 475 G HN 0.485 nan 8.290 nan 0.000 0.508 476 L N -1.088 120.224 121.223 0.148 0.000 2.554 476 L HA 0.256 4.603 4.340 0.011 0.000 0.225 476 L C 0.347 177.234 176.870 0.029 0.000 1.104 476 L CA 0.070 55.036 54.840 0.210 0.000 0.866 476 L CB 0.096 42.267 42.059 0.187 0.000 1.047 476 L HN 0.134 nan 8.230 nan 0.000 0.468 477 D N 0.505 120.871 120.400 -0.057 0.000 2.248 477 D HA 0.328 4.975 4.640 0.011 0.000 0.246 477 D C -0.029 176.142 176.300 -0.215 0.000 1.027 477 D CA -0.080 53.847 54.000 -0.121 0.000 0.853 477 D CB 3.066 43.843 40.800 -0.037 0.000 1.243 477 D HN -0.196 nan 8.370 nan 0.000 0.462 478 V N -0.718 119.055 119.914 -0.234 0.000 2.468 478 V HA 0.351 4.478 4.120 0.011 0.000 0.256 478 V C -2.497 173.550 176.094 -0.079 0.000 0.998 478 V CA -1.361 60.819 62.300 -0.199 0.000 1.114 478 V CB 0.448 32.093 31.823 -0.297 0.000 1.378 478 V HN 0.316 nan 8.190 nan 0.000 0.573 479 P HA 0.419 nan 4.420 nan 0.000 0.276 479 P C 0.831 178.108 177.300 -0.039 0.000 1.261 479 P CA 0.973 64.058 63.100 -0.025 0.000 0.800 479 P CB 1.300 32.988 31.700 -0.020 0.000 1.066 480 G N -0.022 108.757 108.800 -0.034 0.000 2.198 480 G HA2 -0.192 3.775 3.960 0.011 0.000 0.257 480 G HA3 -0.192 3.775 3.960 0.011 0.000 0.257 480 G C -0.157 174.675 174.900 -0.112 0.000 1.042 480 G CA -0.117 44.947 45.100 -0.059 0.000 0.791 480 G HN 0.488 nan 8.290 nan 0.000 0.502 481 I N 0.491 120.969 120.570 -0.153 0.000 2.389 481 I HA 0.284 4.460 4.170 0.011 0.000 0.288 481 I C -0.722 175.129 176.117 -0.443 0.000 0.999 481 I CA -0.820 60.261 61.300 -0.365 0.000 1.129 481 I CB 1.799 39.473 38.000 -0.543 0.000 1.288 481 I HN 0.019 nan 8.210 nan 0.000 0.444 482 D N 6.448 126.620 120.400 -0.379 0.000 2.456 482 D HA 0.204 4.851 4.640 0.011 0.000 0.219 482 D C 0.611 176.744 176.300 -0.278 0.000 1.126 482 D CA -0.279 53.588 54.000 -0.222 0.000 0.890 482 D CB 0.578 41.307 40.800 -0.117 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.511 483 F N 2.018 121.977 119.950 0.014 0.000 2.293 483 F HA 0.000 4.534 4.527 0.011 0.000 0.300 483 F C 2.370 178.181 175.800 0.018 0.000 1.086 483 F CA 0.532 58.544 58.000 0.021 0.000 1.375 483 F CB 0.012 39.033 39.000 0.035 0.000 1.045 483 F HN 0.234 nan 8.300 nan 0.000 0.516 484 R N 0.167 120.760 120.500 0.156 0.000 2.092 484 R HA -0.071 4.276 4.340 0.011 0.000 0.231 484 R C 2.472 178.799 176.300 0.044 0.000 1.119 484 R CA 1.118 57.277 56.100 0.098 0.000 0.970 484 R CB -0.663 29.683 30.300 0.076 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.952 123.773 122.820 0.002 0.000 1.898 485 A HA -0.108 4.218 4.320 0.011 0.000 0.216 485 A C 2.113 179.665 177.584 -0.053 0.000 1.181 485 A CA 1.091 53.106 52.037 -0.036 0.000 0.620 485 A CB -0.504 18.456 19.000 -0.066 0.000 0.819 485 A HN 0.178 nan 8.150 nan 0.000 0.442 486 L N -0.797 120.395 121.223 -0.051 0.000 2.046 486 L HA -0.201 4.145 4.340 0.011 0.000 0.208 486 L C 3.119 180.004 176.870 0.025 0.000 1.077 486 L CA 1.065 55.881 54.840 -0.041 0.000 0.747 486 L CB -0.599 41.458 42.059 -0.004 0.000 0.896 486 L HN 0.450 nan 8.230 nan 0.000 0.432 487 A N 0.175 123.037 122.820 0.070 0.000 1.902 487 A HA -0.267 4.060 4.320 0.011 0.000 0.217 487 A C 2.409 180.033 177.584 0.067 0.000 1.181 487 A CA 2.040 54.130 52.037 0.089 0.000 0.623 487 A CB -0.480 18.574 19.000 0.090 0.000 0.818 487 A HN 0.343 nan 8.150 nan 0.000 0.443 488 K N -0.563 119.853 120.400 0.027 0.000 2.057 488 K HA -0.115 4.212 4.320 0.011 0.000 0.207 488 K C 2.022 178.607 176.600 -0.024 0.000 1.049 488 K CA 1.407 57.700 56.287 0.010 0.000 0.931 488 K CB -0.589 31.908 32.500 -0.006 0.000 0.714 488 K HN 0.381 nan 8.250 nan 0.000 0.440 489 G N -0.180 108.558 108.800 -0.103 0.000 2.469 489 G HA2 -0.251 3.716 3.960 0.011 0.000 0.220 489 G HA3 -0.251 3.716 3.960 0.011 0.000 0.220 489 G C 0.853 175.586 174.900 -0.279 0.000 1.136 489 G CA 0.944 45.890 45.100 -0.256 0.000 0.759 489 G HN 0.450 nan 8.290 nan 0.000 0.562 490 Y N -0.009 120.349 120.300 0.096 0.000 2.607 490 Y HA 0.376 4.933 4.550 0.011 0.000 0.266 490 Y C 1.759 177.737 175.900 0.129 0.000 1.178 490 Y CA -0.211 58.003 58.100 0.190 0.000 1.226 490 Y CB 0.685 39.261 38.460 0.194 0.000 1.144 490 Y HN 0.264 nan 8.280 nan 0.000 0.528 491 G N 0.895 109.797 108.800 0.170 0.000 2.198 491 G HA2 -0.251 3.716 3.960 0.011 0.000 0.257 491 G HA3 -0.251 3.716 3.960 0.011 0.000 0.257 491 G C -0.496 174.442 174.900 0.063 0.000 1.042 491 G CA 0.183 45.336 45.100 0.088 0.000 0.791 491 G HN 0.145 nan 8.290 nan 0.000 0.502 492 V N 0.551 120.515 119.914 0.085 0.000 2.459 492 V HA 0.410 4.537 4.120 0.011 0.000 0.295 492 V C 0.838 176.978 176.094 0.077 0.000 1.029 492 V CA -0.739 61.610 62.300 0.081 0.000 0.874 492 V CB 1.873 33.750 31.823 0.089 0.000 0.985 492 V HN 0.520 nan 8.190 nan 0.000 0.438 493 Q N 2.583 122.427 119.800 0.073 0.000 2.283 493 Q HA 0.362 4.709 4.340 0.011 0.000 0.301 493 Q C -0.162 175.886 176.000 0.081 0.000 1.063 493 Q CA 0.206 56.048 55.803 0.065 0.000 0.952 493 Q CB 0.746 29.519 28.738 0.058 0.000 1.166 493 Q HN 0.942 nan 8.270 nan 0.000 0.381 494 A N 4.886 127.748 122.820 0.070 0.000 2.374 494 A HA 0.806 5.133 4.320 0.011 0.000 0.317 494 A C -1.322 176.303 177.584 0.067 0.000 1.094 494 A CA -0.707 51.377 52.037 0.080 0.000 0.765 494 A CB 1.167 20.215 19.000 0.081 0.000 1.268 494 A HN 0.737 nan 8.150 nan 0.000 0.438 495 L N 0.460 121.726 121.223 0.072 0.000 2.376 495 L HA 0.673 5.020 4.340 0.011 0.000 0.258 495 L C -0.554 176.352 176.870 0.060 0.000 1.013 495 L CA -1.029 53.845 54.840 0.057 0.000 0.822 495 L CB 2.532 44.621 42.059 0.051 0.000 1.388 495 L HN 0.720 nan 8.230 nan 0.000 0.413 496 K N 1.226 121.655 120.400 0.048 0.000 2.316 496 K HA 0.830 5.156 4.320 0.011 0.000 0.251 496 K C -1.340 175.280 176.600 0.033 0.000 0.934 496 K CA -0.287 56.028 56.287 0.046 0.000 0.802 496 K CB 2.180 34.707 32.500 0.045 0.000 1.171 496 K HN 0.633 nan 8.250 nan 0.000 0.426 497 A N 3.722 126.558 122.820 0.027 0.000 2.522 497 A HA 0.336 4.663 4.320 0.011 0.000 0.285 497 A C -0.786 176.804 177.584 0.009 0.000 1.198 497 A CA -0.615 51.431 52.037 0.015 0.000 0.742 497 A CB 0.500 19.505 19.000 0.009 0.000 1.176 497 A HN 0.840 nan 8.150 nan 0.000 0.444 498 D N 1.034 121.440 120.400 0.009 0.000 2.350 498 D HA 0.055 4.702 4.640 0.011 0.000 0.213 498 D C 0.075 176.373 176.300 -0.004 0.000 1.031 498 D CA 0.902 54.905 54.000 0.004 0.000 0.861 498 D CB 0.429 41.234 40.800 0.008 0.000 0.926 498 D HN 0.789 nan 8.370 nan 0.000 0.520 499 N N -1.145 117.553 118.700 -0.002 0.000 3.020 499 N HA 0.060 4.807 4.740 0.011 0.000 0.248 499 N C 0.278 175.788 175.510 0.001 0.000 1.480 499 N CA -0.738 52.310 53.050 -0.003 0.000 0.874 499 N CB 1.088 39.576 38.487 0.003 0.000 1.433 499 N HN -0.249 nan 8.380 nan 0.000 0.530 500 L N 0.020 121.246 121.223 0.005 0.000 2.013 500 L HA -0.045 4.302 4.340 0.011 0.000 0.212 500 L C 1.682 178.558 176.870 0.010 0.000 1.073 500 L CA 2.055 56.900 54.840 0.009 0.000 0.753 500 L CB -0.892 41.177 42.059 0.017 0.000 0.890 500 L HN 0.659 nan 8.230 nan 0.000 0.432 501 E N -0.412 119.795 120.200 0.011 0.000 2.077 501 E HA -0.238 4.118 4.350 0.011 0.000 0.193 501 E C 2.209 178.816 176.600 0.012 0.000 0.989 501 E CA 1.334 57.741 56.400 0.012 0.000 0.800 501 E CB -0.254 29.453 29.700 0.012 0.000 0.746 501 E HN 0.686 nan 8.360 nan 0.000 0.452 502 Q N 0.011 119.817 119.800 0.011 0.000 2.119 502 Q HA -0.124 4.223 4.340 0.011 0.000 0.201 502 Q C 2.263 178.270 176.000 0.012 0.000 0.972 502 Q CA 0.705 56.515 55.803 0.012 0.000 0.847 502 Q CB -0.135 28.610 28.738 0.012 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.393 122.621 121.223 0.009 0.000 1.989 503 L HA -0.222 4.125 4.340 0.011 0.000 0.211 503 L C 1.863 178.740 176.870 0.013 0.000 1.071 503 L CA 1.921 56.765 54.840 0.007 0.000 0.749 503 L CB -0.315 41.743 42.059 -0.002 0.000 0.890 503 L HN -0.006 nan 8.230 nan 0.000 0.431 504 K N -0.662 119.746 120.400 0.013 0.000 2.032 504 K HA -0.143 4.184 4.320 0.011 0.000 0.209 504 K C 2.004 178.614 176.600 0.017 0.000 1.048 504 K CA 1.378 57.675 56.287 0.016 0.000 0.927 504 K CB -0.842 31.668 32.500 0.016 0.000 0.712 504 K HN 0.580 nan 8.250 nan 0.000 0.441 505 G N 0.710 109.520 108.800 0.016 0.000 2.418 505 G HA2 -0.246 3.721 3.960 0.011 0.000 0.217 505 G HA3 -0.246 3.721 3.960 0.011 0.000 0.217 505 G C 1.546 176.457 174.900 0.018 0.000 1.158 505 G CA 0.984 46.093 45.100 0.016 0.000 0.771 505 G HN 0.196 nan 8.290 nan 0.000 0.545 506 S N 0.529 116.241 115.700 0.020 0.000 2.348 506 S HA -0.025 4.452 4.470 0.011 0.000 0.221 506 S C 2.310 176.924 174.600 0.024 0.000 1.033 506 S CA 0.892 59.107 58.200 0.024 0.000 1.010 506 S CB -0.350 62.867 63.200 0.027 0.000 0.891 506 S HN 0.292 nan 8.310 nan 0.000 0.442 507 L N 1.333 122.570 121.223 0.023 0.000 2.012 507 L HA -0.235 4.112 4.340 0.011 0.000 0.210 507 L C 2.900 179.781 176.870 0.018 0.000 1.073 507 L CA 1.655 56.508 54.840 0.023 0.000 0.748 507 L CB -0.538 41.536 42.059 0.026 0.000 0.891 507 L HN 0.414 nan 8.230 nan 0.000 0.431 508 Q N -0.010 119.800 119.800 0.017 0.000 2.096 508 Q HA -0.293 4.054 4.340 0.011 0.000 0.204 508 Q C 2.133 178.141 176.000 0.012 0.000 0.982 508 Q CA 2.067 57.878 55.803 0.014 0.000 0.850 508 Q CB -0.024 28.722 28.738 0.013 0.000 0.901 508 Q HN 0.471 nan 8.270 nan 0.000 0.422 509 E N -0.711 119.499 120.200 0.015 0.000 2.072 509 E HA -0.183 4.174 4.350 0.011 0.000 0.191 509 E C 1.840 178.450 176.600 0.017 0.000 0.985 509 E CA 0.867 57.276 56.400 0.016 0.000 0.801 509 E CB -0.135 29.577 29.700 0.020 0.000 0.750 509 E HN 0.474 nan 8.360 nan 0.000 0.452 510 A N 1.053 123.885 122.820 0.020 0.000 1.877 510 A HA -0.181 4.146 4.320 0.011 0.000 0.216 510 A C 2.076 179.664 177.584 0.005 0.000 1.186 510 A CA 1.074 53.123 52.037 0.019 0.000 0.620 510 A CB -0.668 18.346 19.000 0.024 0.000 0.822 510 A HN 0.282 nan 8.150 nan 0.000 0.443 511 L N 0.839 122.063 121.223 0.001 0.000 2.013 511 L HA -0.192 4.154 4.340 0.011 0.000 0.212 511 L C 2.899 179.764 176.870 -0.008 0.000 1.073 511 L CA 2.642 57.476 54.840 -0.009 0.000 0.753 511 L CB -1.109 40.946 42.059 -0.006 0.000 0.890 511 L HN 0.625 nan 8.230 nan 0.000 0.432 512 S N -1.517 114.183 115.700 -0.001 0.000 2.527 512 S HA 0.243 4.719 4.470 0.011 0.000 0.222 512 S C 1.101 175.703 174.600 0.002 0.000 0.985 512 S CA 0.090 58.290 58.200 0.000 0.000 0.921 512 S CB -0.461 62.741 63.200 0.003 0.000 0.772 512 S HN 0.305 nan 8.310 nan 0.000 0.529 513 A N 2.013 124.837 122.820 0.006 0.000 2.483 513 A HA 0.387 4.713 4.320 0.011 0.000 0.238 513 A C 1.140 178.728 177.584 0.006 0.000 1.070 513 A CA -0.387 51.656 52.037 0.010 0.000 0.770 513 A CB 0.327 19.338 19.000 0.019 0.000 1.008 513 A HN 0.246 nan 8.150 nan 0.000 0.497 514 K N 1.270 121.674 120.400 0.008 0.000 2.379 514 K HA 0.108 4.435 4.320 0.011 0.000 0.194 514 K C 0.923 177.529 176.600 0.009 0.000 1.031 514 K CA 0.948 57.239 56.287 0.005 0.000 1.037 514 K CB 0.196 32.698 32.500 0.004 0.000 0.824 514 K HN 0.758 nan 8.250 nan 0.000 0.516 515 G N 2.003 110.813 108.800 0.016 0.000 3.108 515 G HA2 0.411 4.378 3.960 0.011 0.000 0.268 515 G HA3 0.411 4.378 3.960 0.011 0.000 0.268 515 G C -2.907 172.021 174.900 0.045 0.000 1.361 515 G CA -1.312 43.804 45.100 0.026 0.000 1.047 515 G HN -0.206 nan 8.290 nan 0.000 0.540 516 P HA 0.361 nan 4.420 nan 0.000 0.271 516 P C -0.851 176.545 177.300 0.160 0.000 1.218 516 P CA -0.109 63.079 63.100 0.145 0.000 0.780 516 P CB 1.675 33.526 31.700 0.252 0.000 0.901 517 V N 3.480 123.511 119.914 0.195 0.000 2.808 517 V HA 0.363 4.490 4.120 0.011 0.000 0.308 517 V C -0.078 176.181 176.094 0.275 0.000 1.099 517 V CA -0.753 61.654 62.300 0.178 0.000 0.920 517 V CB 2.171 34.051 31.823 0.096 0.000 1.014 517 V HN 0.474 nan 8.190 nan 0.000 0.425 518 L N 5.584 126.948 121.223 0.235 0.000 2.322 518 L HA 0.716 5.063 4.340 0.011 0.000 0.281 518 L C -1.138 175.822 176.870 0.149 0.000 1.014 518 L CA -0.375 54.610 54.840 0.240 0.000 0.815 518 L CB 1.318 43.482 42.059 0.175 0.000 1.247 518 L HN 0.613 nan 8.230 nan 0.000 0.421 519 I N 4.620 125.266 120.570 0.127 0.000 2.382 519 I HA 0.307 4.484 4.170 0.011 0.000 0.286 519 I C -0.349 175.801 176.117 0.055 0.000 1.002 519 I CA -0.453 60.895 61.300 0.081 0.000 1.135 519 I CB 1.837 39.873 38.000 0.060 0.000 1.288 519 I HN 0.618 nan 8.210 nan 0.000 0.448 520 E N 6.393 126.630 120.200 0.061 0.000 2.105 520 E HA 0.345 4.702 4.350 0.011 0.000 0.285 520 E C -1.233 175.379 176.600 0.021 0.000 1.055 520 E CA -0.485 55.939 56.400 0.040 0.000 0.843 520 E CB 1.144 30.921 29.700 0.127 0.000 1.067 520 E HN 0.356 nan 8.360 nan 0.000 0.398 521 V N 3.892 123.796 119.914 -0.016 0.000 2.394 521 V HA 0.152 4.279 4.120 0.011 0.000 0.282 521 V C -0.001 176.082 176.094 -0.019 0.000 1.031 521 V CA -0.730 61.558 62.300 -0.020 0.000 0.881 521 V CB 1.654 33.451 31.823 -0.044 0.000 0.982 521 V HN 0.617 nan 8.190 nan 0.000 0.451 522 S N 3.892 119.586 115.700 -0.009 0.000 2.405 522 S HA 0.376 4.853 4.470 0.011 0.000 0.291 522 S C 0.514 175.095 174.600 -0.033 0.000 1.137 522 S CA -0.507 57.688 58.200 -0.007 0.000 1.061 522 S CB 0.315 63.515 63.200 0.001 0.000 1.001 522 S HN 0.976 nan 8.310 nan 0.000 0.507 523 T N -0.624 113.911 114.554 -0.032 0.000 2.952 523 T HA 0.668 5.024 4.350 0.011 0.000 0.286 523 T C 0.300 174.968 174.700 -0.053 0.000 1.024 523 T CA -1.008 61.060 62.100 -0.054 0.000 1.029 523 T CB 0.954 69.798 68.868 -0.040 0.000 1.094 523 T HN 0.396 nan 8.240 nan 0.000 0.515 524 V N -0.721 119.137 119.914 -0.093 0.000 2.649 524 V HA 0.750 4.877 4.120 0.011 0.000 0.292 524 V C 0.658 176.752 176.094 -0.000 0.000 1.055 524 V CA -0.264 61.987 62.300 -0.082 0.000 1.023 524 V CB -0.376 31.329 31.823 -0.196 0.000 0.992 524 V HN 1.388 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.712 115.700 0.020 0.000 2.498 525 S HA 0.000 4.477 4.470 0.011 0.000 0.327 525 S CA 0.000 58.233 58.200 0.055 0.000 1.107 525 S CB 0.000 63.230 63.200 0.050 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517