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 1yno_1_A 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 0.000 177.666 177.584 0.137 0.000 1.274 2 A CA 0.000 52.110 52.037 0.122 0.000 0.836 2 A CB 0.000 19.094 19.000 0.157 0.000 0.831 3 S N 0.095 115.891 115.700 0.160 0.000 2.645 3 S HA 0.487 4.957 4.470 0.001 0.000 0.266 3 S C 1.159 175.910 174.600 0.251 0.000 1.258 3 S CA 0.061 58.376 58.200 0.192 0.000 0.990 3 S CB 1.050 64.373 63.200 0.206 0.000 0.967 3 S HN 1.457 nan 8.310 nan 0.000 0.556 4 V N 1.562 121.632 119.914 0.259 0.000 2.332 4 V HA -0.198 3.922 4.120 0.001 0.000 0.248 4 V C 2.590 178.975 176.094 0.486 0.000 1.055 4 V CA 2.295 64.769 62.300 0.290 0.000 1.038 4 V CB -1.407 30.517 31.823 0.168 0.000 0.651 4 V HN 1.035 nan 8.190 nan 0.000 0.450 5 H N 0.819 120.188 119.070 0.498 0.000 2.290 5 H HA -0.162 4.395 4.556 0.001 0.000 0.298 5 H C 2.314 177.860 175.328 0.362 0.000 1.087 5 H CA 2.281 58.638 56.048 0.515 0.000 1.291 5 H CB -0.512 29.480 29.762 0.383 0.000 1.369 5 H HN 0.418 nan 8.280 nan 0.000 0.492 6 G N -0.756 108.325 108.800 0.469 0.000 2.422 6 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 6 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 6 G C 1.810 176.859 174.900 0.248 0.000 1.146 6 G CA 1.203 46.490 45.100 0.312 0.000 0.769 6 G HN 0.448 nan 8.290 nan 0.000 0.547 7 T N 0.876 115.605 114.554 0.291 0.000 2.777 7 T HA -0.090 4.260 4.350 0.001 0.000 0.266 7 T C 2.654 177.551 174.700 0.327 0.000 1.040 7 T CA 1.722 64.032 62.100 0.351 0.000 1.141 7 T CB -0.400 68.670 68.868 0.337 0.000 0.868 7 T HN 0.281 nan 8.240 nan 0.000 0.444 8 T N 0.920 115.638 114.554 0.273 0.000 2.737 8 T HA -0.058 4.292 4.350 0.001 0.000 0.265 8 T C 1.642 176.352 174.700 0.016 0.000 1.038 8 T CA 1.069 63.286 62.100 0.195 0.000 1.144 8 T CB -0.472 68.584 68.868 0.313 0.000 0.866 8 T HN 0.384 nan 8.240 nan 0.000 0.434 9 Y N 1.314 121.575 120.300 -0.065 0.000 2.224 9 Y HA -0.057 4.493 4.550 0.000 0.000 0.289 9 Y C 2.606 178.426 175.900 -0.132 0.000 1.146 9 Y CA 1.074 59.013 58.100 -0.268 0.000 1.182 9 Y CB -0.289 37.837 38.460 -0.558 0.000 0.983 9 Y HN 0.175 nan 8.280 nan 0.000 0.524 10 E N 0.360 120.564 120.200 0.007 0.000 2.077 10 E HA -0.190 4.161 4.350 0.001 0.000 0.193 10 E C 2.064 178.497 176.600 -0.278 0.000 0.989 10 E CA 0.947 57.212 56.400 -0.224 0.000 0.800 10 E CB -0.553 28.861 29.700 -0.476 0.000 0.746 10 E HN 0.337 nan 8.360 nan 0.000 0.452 11 L N 0.264 121.461 121.223 -0.044 0.000 2.012 11 L HA -0.161 4.180 4.340 0.001 0.000 0.210 11 L C 2.150 179.082 176.870 0.102 0.000 1.073 11 L CA 1.788 56.734 54.840 0.177 0.000 0.748 11 L CB -0.680 41.581 42.059 0.337 0.000 0.891 11 L HN 0.282 nan 8.230 nan 0.000 0.431 12 L N -0.473 120.804 121.223 0.090 0.000 1.989 12 L HA -0.253 4.087 4.340 0.001 0.000 0.211 12 L C 2.877 179.812 176.870 0.108 0.000 1.071 12 L CA 2.001 56.899 54.840 0.097 0.000 0.749 12 L CB -0.729 41.385 42.059 0.092 0.000 0.890 12 L HN 0.401 nan 8.230 nan 0.000 0.431 13 R N 0.165 120.766 120.500 0.168 0.000 2.081 13 R HA -0.150 4.190 4.340 0.001 0.000 0.235 13 R C 2.353 178.649 176.300 -0.006 0.000 1.131 13 R CA 1.207 57.338 56.100 0.051 0.000 0.960 13 R CB -0.139 30.236 30.300 0.125 0.000 0.856 13 R HN 0.244 nan 8.270 nan 0.000 0.436 14 R N 0.220 120.713 120.500 -0.012 0.000 2.189 14 R HA -0.030 4.310 4.340 0.001 0.000 0.223 14 R C 1.485 177.822 176.300 0.062 0.000 1.092 14 R CA 0.804 56.909 56.100 0.009 0.000 0.989 14 R CB -0.012 30.283 30.300 -0.008 0.000 0.876 14 R HN 0.415 nan 8.270 nan 0.000 0.457 15 Q N -0.511 119.328 119.800 0.064 0.000 2.246 15 Q HA 0.148 4.488 4.340 0.001 0.000 0.202 15 Q C 0.663 176.688 176.000 0.042 0.000 0.883 15 Q CA 0.412 56.256 55.803 0.068 0.000 0.952 15 Q CB 1.046 29.815 28.738 0.051 0.000 1.078 15 Q HN 0.523 nan 8.270 nan 0.000 0.493 16 G N 1.286 110.095 108.800 0.015 0.000 2.157 16 G HA2 -0.261 3.699 3.960 0.001 0.000 0.248 16 G HA3 -0.261 3.699 3.960 0.001 0.000 0.248 16 G C 0.174 175.051 174.900 -0.039 0.000 0.979 16 G CA -0.143 44.953 45.100 -0.007 0.000 0.650 16 G HN 0.348 nan 8.290 nan 0.000 0.529 17 I N 1.490 122.022 120.570 -0.063 0.000 2.365 17 I HA 0.456 4.627 4.170 0.001 0.000 0.291 17 I C 0.662 176.511 176.117 -0.446 0.000 1.004 17 I CA 0.059 61.296 61.300 -0.105 0.000 1.311 17 I CB 1.398 39.400 38.000 0.004 0.000 1.401 17 I HN 0.251 nan 8.210 nan 0.000 0.491 18 D N 1.398 121.498 120.400 -0.499 0.000 2.516 18 D HA 0.094 4.735 4.640 0.001 0.000 0.241 18 D C -0.112 175.831 176.300 -0.594 0.000 1.246 18 D CA -0.056 53.371 54.000 -0.956 0.000 0.808 18 D CB 0.548 41.020 40.800 -0.546 0.000 1.147 18 D HN 0.281 nan 8.370 nan 0.000 0.527 19 T N 0.160 114.552 114.554 -0.270 0.000 2.886 19 T HA 0.574 4.924 4.350 0.001 0.000 0.292 19 T C -0.965 173.702 174.700 -0.055 0.000 1.012 19 T CA -0.619 61.344 62.100 -0.229 0.000 0.982 19 T CB 2.528 71.105 68.868 -0.485 0.000 1.018 19 T HN -0.128 nan 8.240 nan 0.000 0.451 20 V N 3.838 123.747 119.914 -0.008 0.000 2.378 20 V HA 0.486 4.606 4.120 0.001 0.000 0.288 20 V C -0.916 174.936 176.094 -0.404 0.000 1.016 20 V CA -0.867 61.540 62.300 0.178 0.000 0.840 20 V CB 0.725 32.907 31.823 0.600 0.000 0.994 20 V HN 0.805 nan 8.190 nan 0.000 0.431 21 F N 3.255 123.163 119.950 -0.069 0.000 2.411 21 F HA 0.755 5.283 4.527 0.000 0.000 0.355 21 F C 0.956 176.624 175.800 -0.220 0.000 1.117 21 F CA -0.010 57.854 58.000 -0.228 0.000 1.139 21 F CB 1.588 40.508 39.000 -0.134 0.000 1.120 21 F HN 0.596 nan 8.300 nan 0.000 0.493 22 G N 2.438 111.082 108.800 -0.259 0.000 2.677 22 G HA2 0.312 4.272 3.960 0.001 0.000 0.291 22 G HA3 0.312 4.272 3.960 0.001 0.000 0.291 22 G C -2.187 172.779 174.900 0.109 0.000 1.435 22 G CA -0.897 44.178 45.100 -0.043 0.000 0.826 22 G HN 0.526 nan 8.290 nan 0.000 0.491 23 N N 1.169 119.992 118.700 0.204 0.000 2.461 23 N HA 0.449 5.189 4.740 0.001 0.000 0.284 23 N C -2.813 172.824 175.510 0.212 0.000 1.049 23 N CA -1.288 51.882 53.050 0.200 0.000 0.889 23 N CB 3.345 41.907 38.487 0.124 0.000 1.365 23 N HN 0.291 nan 8.380 nan 0.000 0.499 24 P HA 0.425 nan 4.420 nan 0.000 0.278 24 P C -0.327 176.987 177.300 0.023 0.000 1.258 24 P CA -0.061 63.116 63.100 0.129 0.000 0.811 24 P CB 1.857 33.573 31.700 0.027 0.000 1.063 25 G N -0.858 107.948 108.800 0.010 0.000 2.721 25 G HA2 0.377 4.338 3.960 0.001 0.000 0.296 25 G HA3 0.377 4.338 3.960 0.001 0.000 0.296 25 G C 0.661 175.531 174.900 -0.049 0.000 1.383 25 G CA -0.015 44.961 45.100 -0.207 0.000 0.788 25 G HN 0.403 nan 8.290 nan 0.000 0.500 26 S N -0.391 115.250 115.700 -0.099 0.000 2.406 26 S HA -0.095 4.375 4.470 0.001 0.000 0.228 26 S C 1.593 176.172 174.600 -0.035 0.000 1.020 26 S CA 1.383 59.548 58.200 -0.058 0.000 0.965 26 S CB -0.193 62.964 63.200 -0.072 0.000 0.798 26 S HN 0.397 nan 8.310 nan 0.000 0.488 27 N N 1.817 120.618 118.700 0.167 0.000 2.520 27 N HA 0.034 4.774 4.740 0.001 0.000 0.185 27 N C 1.095 176.767 175.510 0.271 0.000 1.068 27 N CA 0.999 54.180 53.050 0.219 0.000 0.911 27 N CB -0.223 38.451 38.487 0.312 0.000 0.961 27 N HN 0.609 nan 8.380 nan 0.000 0.446 28 E N -0.352 119.989 120.200 0.236 0.000 2.431 28 E HA 0.211 4.561 4.350 0.001 0.000 0.200 28 E C 1.787 178.497 176.600 0.184 0.000 0.995 28 E CA -0.111 56.447 56.400 0.264 0.000 0.915 28 E CB 0.090 29.954 29.700 0.274 0.000 0.930 28 E HN 0.197 nan 8.360 nan 0.000 0.496 29 L N 0.994 122.263 121.223 0.076 0.000 2.079 29 L HA -0.115 4.225 4.340 0.001 0.000 0.210 29 L C -0.693 176.206 176.870 0.048 0.000 1.081 29 L CA 1.331 56.181 54.840 0.016 0.000 0.752 29 L CB -1.415 40.616 42.059 -0.046 0.000 0.896 29 L HN 0.135 nan 8.230 nan 0.000 0.433 30 P HA -0.170 nan 4.420 nan 0.000 0.226 30 P C 1.324 178.700 177.300 0.127 0.000 1.153 30 P CA 1.036 64.253 63.100 0.195 0.000 0.777 30 P CB 0.017 31.962 31.700 0.409 0.000 0.794 31 F N 0.060 119.828 119.950 -0.304 0.000 2.219 31 F HA 0.040 4.567 4.527 0.000 0.000 0.294 31 F C 1.652 177.387 175.800 -0.108 0.000 1.086 31 F CA 1.199 58.766 58.000 -0.722 0.000 1.330 31 F CB -0.662 37.733 39.000 -1.009 0.000 1.047 31 F HN -0.283 nan 8.300 nan 0.000 0.495 32 L N 0.963 122.108 121.223 -0.131 0.000 2.418 32 L HA -0.016 4.324 4.340 0.001 0.000 0.218 32 L C 1.092 177.938 176.870 -0.039 0.000 1.125 32 L CA 0.126 54.893 54.840 -0.122 0.000 0.835 32 L CB -0.825 41.163 42.059 -0.118 0.000 0.953 32 L HN 0.060 nan 8.230 nan 0.000 0.454 33 K N -0.175 120.224 120.400 -0.002 0.000 2.336 33 K HA -0.038 4.282 4.320 0.001 0.000 0.262 33 K C -0.221 176.373 176.600 -0.010 0.000 0.992 33 K CA -0.263 56.009 56.287 -0.024 0.000 0.927 33 K CB 0.349 32.819 32.500 -0.049 0.000 0.956 33 K HN -0.048 nan 8.250 nan 0.000 0.495 34 D N 0.038 120.395 120.400 -0.071 0.000 2.751 34 D HA -0.228 4.412 4.640 0.001 0.000 0.233 34 D C -0.649 175.564 176.300 -0.144 0.000 1.149 34 D CA 0.859 54.793 54.000 -0.109 0.000 0.682 34 D CB -1.448 39.233 40.800 -0.198 0.000 1.068 34 D HN 0.504 nan 8.370 nan 0.000 0.429 35 F N 1.120 120.892 119.950 -0.297 0.000 2.602 35 F HA 0.206 4.734 4.527 0.001 0.000 0.385 35 F C -1.519 174.009 175.800 -0.454 0.000 1.063 35 F CA -1.392 56.330 58.000 -0.463 0.000 1.233 35 F CB 0.475 39.288 39.000 -0.312 0.000 1.067 35 F HN -0.170 nan 8.300 nan 0.000 0.564 36 P HA 0.056 nan 4.420 nan 0.000 0.271 36 P C 0.124 177.213 177.300 -0.353 0.000 1.216 36 P CA 0.054 62.743 63.100 -0.685 0.000 0.776 36 P CB 0.594 31.767 31.700 -0.878 0.000 0.881 37 E N 1.174 121.276 120.200 -0.162 0.000 2.268 37 E HA -0.167 4.183 4.350 0.001 0.000 0.195 37 E C 0.946 177.544 176.600 -0.004 0.000 0.995 37 E CA 0.992 57.365 56.400 -0.045 0.000 0.836 37 E CB -0.048 29.629 29.700 -0.037 0.000 0.763 37 E HN 0.605 nan 8.360 nan 0.000 0.491 38 D N -0.217 120.188 120.400 0.007 0.000 2.340 38 D HA -0.065 4.575 4.640 0.001 0.000 0.220 38 D C 0.135 176.468 176.300 0.055 0.000 1.039 38 D CA 0.097 54.116 54.000 0.031 0.000 0.866 38 D CB -0.049 40.763 40.800 0.020 0.000 0.913 38 D HN -0.038 nan 8.370 nan 0.000 0.523 39 F N 1.081 120.893 119.950 -0.230 0.000 2.440 39 F HA 0.450 4.978 4.527 0.001 0.000 0.328 39 F C 0.906 176.733 175.800 0.045 0.000 1.070 39 F CA -1.241 56.633 58.000 -0.210 0.000 1.011 39 F CB 1.350 40.005 39.000 -0.575 0.000 1.226 39 F HN -0.305 nan 8.300 nan 0.000 0.491 40 R N 1.457 122.109 120.500 0.253 0.000 2.562 40 R HA 0.393 4.734 4.340 0.001 0.000 0.298 40 R C -2.014 174.458 176.300 0.287 0.000 0.961 40 R CA -0.643 55.592 56.100 0.225 0.000 0.881 40 R CB 1.122 31.404 30.300 -0.030 0.000 1.159 40 R HN 0.711 nan 8.270 nan 0.000 0.450 41 Y N 5.474 125.808 120.300 0.057 0.000 2.331 41 Y HA 0.415 4.966 4.550 0.001 0.000 0.338 41 Y C -0.798 174.974 175.900 -0.212 0.000 0.992 41 Y CA -0.897 57.117 58.100 -0.144 0.000 1.121 41 Y CB 1.124 39.324 38.460 -0.434 0.000 1.184 41 Y HN 0.421 nan 8.280 nan 0.000 0.469 42 I N 8.400 128.567 120.570 -0.672 0.000 2.359 42 I HA 0.164 4.334 4.170 0.001 0.000 0.284 42 I C -0.736 175.156 176.117 -0.374 0.000 1.018 42 I CA -0.783 60.131 61.300 -0.642 0.000 1.173 42 I CB 0.892 38.440 38.000 -0.754 0.000 1.326 42 I HN 0.514 nan 8.210 nan 0.000 0.462 43 L N 6.734 128.036 121.223 0.132 0.000 2.349 43 L HA 0.719 5.059 4.340 0.001 0.000 0.275 43 L C 0.057 177.150 176.870 0.372 0.000 1.115 43 L CA 0.325 55.370 54.840 0.341 0.000 0.820 43 L CB 1.112 43.537 42.059 0.610 0.000 1.135 43 L HN 0.707 nan 8.230 nan 0.000 0.445 44 A N 4.846 127.816 122.820 0.250 0.000 2.469 44 A HA 0.586 4.907 4.320 0.001 0.000 0.299 44 A C 0.232 177.880 177.584 0.107 0.000 1.098 44 A CA -0.635 51.536 52.037 0.224 0.000 0.737 44 A CB 1.146 20.233 19.000 0.144 0.000 1.312 44 A HN 0.839 nan 8.150 nan 0.000 0.414 45 L N -0.198 121.033 121.223 0.013 0.000 2.558 45 L HA 0.183 4.524 4.340 0.001 0.000 0.225 45 L C 0.835 177.674 176.870 -0.053 0.000 1.128 45 L CA 0.734 55.507 54.840 -0.111 0.000 0.868 45 L CB 0.104 42.005 42.059 -0.263 0.000 1.006 45 L HN 0.714 nan 8.230 nan 0.000 0.454 46 Q N -0.547 119.249 119.800 -0.007 0.000 2.435 46 Q HA 0.133 4.474 4.340 0.001 0.000 0.282 46 Q C -0.477 175.545 176.000 0.038 0.000 1.020 46 Q CA -0.255 55.557 55.803 0.015 0.000 0.820 46 Q CB 2.311 31.055 28.738 0.010 0.000 1.436 46 Q HN -0.010 nan 8.270 nan 0.000 0.395 47 E N 0.832 121.062 120.200 0.050 0.000 2.274 47 E HA -0.001 4.350 4.350 0.001 0.000 0.194 47 E C 1.447 178.077 176.600 0.049 0.000 0.996 47 E CA 1.238 57.673 56.400 0.059 0.000 0.840 47 E CB 0.086 29.828 29.700 0.070 0.000 0.772 47 E HN 0.636 nan 8.360 nan 0.000 0.491 48 A N 0.261 123.109 122.820 0.048 0.000 1.972 48 A HA -0.211 4.109 4.320 0.001 0.000 0.219 48 A C 2.210 179.815 177.584 0.035 0.000 1.169 48 A CA 1.337 53.403 52.037 0.048 0.000 0.635 48 A CB -0.855 18.184 19.000 0.065 0.000 0.810 48 A HN 0.417 nan 8.150 nan 0.000 0.446 49 C N -1.423 117.895 119.300 0.030 0.000 2.466 49 C HA -0.011 4.450 4.460 0.001 0.000 0.278 49 C C 2.665 177.663 174.990 0.014 0.000 1.288 49 C CA 0.704 59.732 59.018 0.016 0.000 1.722 49 C CB -1.289 26.462 27.740 0.017 0.000 2.017 49 C HN 0.450 nan 8.230 nan 0.000 0.488 50 V N 1.176 121.112 119.914 0.037 0.000 2.252 50 V HA -0.228 3.893 4.120 0.001 0.000 0.249 50 V C 2.446 178.535 176.094 -0.008 0.000 1.056 50 V CA 2.350 64.679 62.300 0.048 0.000 1.022 50 V CB -0.803 31.064 31.823 0.073 0.000 0.641 50 V HN 0.471 nan 8.190 nan 0.000 0.445 51 V N 0.654 120.567 119.914 -0.002 0.000 2.453 51 V HA -0.094 4.026 4.120 0.001 0.000 0.247 51 V C 2.614 178.673 176.094 -0.058 0.000 1.048 51 V CA 1.883 64.168 62.300 -0.024 0.000 1.049 51 V CB -1.287 30.548 31.823 0.020 0.000 0.672 51 V HN 0.614 nan 8.190 nan 0.000 0.457 52 G N 0.167 108.942 108.800 -0.042 0.000 2.440 52 G HA2 -0.228 3.732 3.960 0.001 0.000 0.218 52 G HA3 -0.228 3.732 3.960 0.001 0.000 0.218 52 G C 1.578 176.356 174.900 -0.203 0.000 1.154 52 G CA 1.075 46.122 45.100 -0.088 0.000 0.767 52 G HN 0.479 nan 8.290 nan 0.000 0.552 53 I N 1.397 121.850 120.570 -0.194 0.000 2.142 53 I HA -0.195 3.975 4.170 0.001 0.000 0.240 53 I C 3.320 179.133 176.117 -0.507 0.000 1.078 53 I CA 1.085 62.234 61.300 -0.253 0.000 1.343 53 I CB -0.279 37.652 38.000 -0.115 0.000 1.046 53 I HN 0.243 nan 8.210 nan 0.000 0.405 54 A N 0.210 122.581 122.820 -0.747 0.000 1.940 54 A HA -0.301 4.019 4.320 0.001 0.000 0.219 54 A C 2.051 179.389 177.584 -0.411 0.000 1.176 54 A CA 2.274 53.670 52.037 -1.067 0.000 0.631 54 A CB -0.665 17.930 19.000 -0.675 0.000 0.814 54 A HN 0.456 nan 8.150 nan 0.000 0.446 55 D N -0.415 119.855 120.400 -0.217 0.000 2.084 55 D HA -0.075 4.565 4.640 0.001 0.000 0.194 55 D C 2.110 178.361 176.300 -0.082 0.000 0.990 55 D CA 1.730 55.696 54.000 -0.056 0.000 0.826 55 D CB -0.695 40.156 40.800 0.084 0.000 0.971 55 D HN 0.292 nan 8.370 nan 0.000 0.453 56 G N -0.907 107.778 108.800 -0.192 0.000 2.440 56 G HA2 -0.329 3.632 3.960 0.001 0.000 0.218 56 G HA3 -0.329 3.632 3.960 0.001 0.000 0.218 56 G C 1.704 176.468 174.900 -0.227 0.000 1.154 56 G CA 1.050 45.969 45.100 -0.301 0.000 0.767 56 G HN 0.390 nan 8.290 nan 0.000 0.552 57 Y N 1.931 122.061 120.300 -0.282 0.000 2.145 57 Y HA -0.026 4.525 4.550 0.001 0.000 0.286 57 Y C 2.958 178.795 175.900 -0.104 0.000 1.145 57 Y CA 1.616 59.609 58.100 -0.178 0.000 1.148 57 Y CB -0.385 37.961 38.460 -0.190 0.000 0.981 57 Y HN 0.252 nan 8.280 nan 0.000 0.507 58 A N 0.072 122.879 122.820 -0.023 0.000 1.902 58 A HA -0.237 4.083 4.320 0.001 0.000 0.217 58 A C 2.121 179.669 177.584 -0.060 0.000 1.181 58 A CA 1.915 53.939 52.037 -0.023 0.000 0.623 58 A CB -0.757 18.267 19.000 0.040 0.000 0.818 58 A HN 0.662 nan 8.150 nan 0.000 0.443 59 Q N -0.800 118.967 119.800 -0.055 0.000 2.084 59 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 59 Q C 2.425 178.439 176.000 0.023 0.000 0.978 59 Q CA 1.480 57.294 55.803 0.018 0.000 0.844 59 Q CB -0.340 28.429 28.738 0.053 0.000 0.898 59 Q HN 0.686 nan 8.270 nan 0.000 0.426 60 A N 0.263 123.014 122.820 -0.114 0.000 1.929 60 A HA -0.070 4.250 4.320 0.001 0.000 0.216 60 A C 2.177 179.697 177.584 -0.107 0.000 1.176 60 A CA 1.240 53.246 52.037 -0.052 0.000 0.628 60 A CB -0.155 18.758 19.000 -0.145 0.000 0.816 60 A HN 0.205 nan 8.150 nan 0.000 0.444 61 S N -1.009 114.546 115.700 -0.242 0.000 2.489 61 S HA 0.046 4.516 4.470 0.001 0.000 0.228 61 S C 0.578 175.109 174.600 -0.115 0.000 0.995 61 S CA 0.361 58.408 58.200 -0.255 0.000 0.934 61 S CB -0.169 62.737 63.200 -0.489 0.000 0.771 61 S HN 0.582 nan 8.310 nan 0.000 0.522 62 R N 0.983 121.445 120.500 -0.063 0.000 3.422 62 R HA -0.173 4.167 4.340 0.001 0.000 0.267 62 R C -0.422 175.874 176.300 -0.005 0.000 1.074 62 R CA 0.853 56.947 56.100 -0.011 0.000 0.718 62 R CB -1.885 28.418 30.300 0.005 0.000 1.157 62 R HN 0.633 nan 8.270 nan 0.000 0.440 63 K N -1.566 118.831 120.400 -0.005 0.000 2.575 63 K HA 0.561 4.882 4.320 0.001 0.000 0.279 63 K C -3.177 173.463 176.600 0.067 0.000 0.969 63 K CA -2.131 54.174 56.287 0.029 0.000 0.868 63 K CB 2.585 35.103 32.500 0.031 0.000 1.457 63 K HN -0.297 nan 8.250 nan 0.000 0.426 64 P HA 0.117 nan 4.420 nan 0.000 0.271 64 P C -1.097 176.331 177.300 0.213 0.000 1.218 64 P CA -0.250 62.929 63.100 0.131 0.000 0.780 64 P CB 0.955 32.727 31.700 0.121 0.000 0.901 65 A N 2.757 125.716 122.820 0.232 0.000 2.350 65 A HA 0.641 4.962 4.320 0.001 0.000 0.324 65 A C -1.281 176.509 177.584 0.343 0.000 1.118 65 A CA -0.579 51.661 52.037 0.337 0.000 0.783 65 A CB 0.500 19.639 19.000 0.231 0.000 1.236 65 A HN 0.483 nan 8.150 nan 0.000 0.457 66 F N 2.298 122.427 119.950 0.299 0.000 2.436 66 F HA 0.751 5.278 4.527 -0.000 0.000 0.340 66 F C -0.625 175.360 175.800 0.309 0.000 1.113 66 F CA -0.715 57.439 58.000 0.256 0.000 1.022 66 F CB 1.001 40.145 39.000 0.241 0.000 1.128 66 F HN 0.430 nan 8.300 nan 0.000 0.466 67 I N 4.688 125.075 120.570 -0.306 0.000 2.608 67 I HA 0.333 4.503 4.170 0.001 0.000 0.295 67 I C -1.194 174.765 176.117 -0.263 0.000 1.049 67 I CA -0.844 60.394 61.300 -0.103 0.000 1.063 67 I CB 2.236 40.215 38.000 -0.034 0.000 1.248 67 I HN 0.550 nan 8.210 nan 0.000 0.424 68 N N 5.983 124.704 118.700 0.035 0.000 2.461 68 N HA 0.659 5.400 4.740 0.001 0.000 0.284 68 N C -1.682 173.919 175.510 0.152 0.000 1.049 68 N CA -0.345 52.768 53.050 0.105 0.000 0.889 68 N CB 1.216 39.929 38.487 0.377 0.000 1.365 68 N HN 0.461 nan 8.380 nan 0.000 0.499 69 L N 1.163 122.457 121.223 0.118 0.000 2.301 69 L HA 0.476 4.816 4.340 0.001 0.000 0.264 69 L C -0.467 176.514 176.870 0.185 0.000 1.016 69 L CA -1.238 53.694 54.840 0.154 0.000 0.821 69 L CB 1.567 43.706 42.059 0.132 0.000 1.346 69 L HN 0.592 nan 8.230 nan 0.000 0.429 70 H N 0.664 119.795 119.070 0.103 0.000 2.761 70 H HA 0.322 4.878 4.556 0.000 0.000 0.284 70 H C 0.359 175.744 175.328 0.094 0.000 1.105 70 H CA 0.876 56.982 56.048 0.097 0.000 1.352 70 H CB 0.706 30.517 29.762 0.080 0.000 1.423 70 H HN 0.702 nan 8.280 nan 0.000 0.464 71 S N 2.984 118.489 115.700 -0.325 0.000 3.055 71 S HA -0.381 4.089 4.470 0.001 0.000 0.628 71 S C 1.721 176.260 174.600 -0.102 0.000 3.040 71 S CA 1.715 59.746 58.200 -0.282 0.000 3.787 71 S CB -1.350 61.520 63.200 -0.549 0.000 0.299 71 S HN 1.113 nan 8.310 nan 0.000 1.470 72 A N 0.251 123.018 122.820 -0.089 0.000 1.897 72 A HA 0.401 4.721 4.320 0.001 0.000 0.215 72 A C 2.588 180.164 177.584 -0.013 0.000 1.181 72 A CA 2.203 54.224 52.037 -0.026 0.000 0.620 72 A CB -1.391 17.593 19.000 -0.026 0.000 0.821 72 A HN 1.653 nan 8.150 nan 0.000 0.443 73 A N -0.388 122.429 122.820 -0.006 0.000 1.898 73 A HA 0.171 4.491 4.320 0.001 0.000 0.216 73 A C 2.360 179.981 177.584 0.061 0.000 1.181 73 A CA 1.818 53.879 52.037 0.039 0.000 0.620 73 A CB -1.268 17.780 19.000 0.081 0.000 0.819 73 A HN 0.658 nan 8.150 nan 0.000 0.442 74 G N -1.091 107.761 108.800 0.087 0.000 2.402 74 G HA2 -0.118 3.842 3.960 0.001 0.000 0.216 74 G HA3 -0.118 3.842 3.960 0.001 0.000 0.216 74 G C 1.572 176.520 174.900 0.080 0.000 1.162 74 G CA 1.600 46.767 45.100 0.111 0.000 0.777 74 G HN 0.411 nan 8.290 nan 0.000 0.539 75 T N 1.091 115.687 114.554 0.070 0.000 2.684 75 T HA -0.085 4.265 4.350 0.001 0.000 0.267 75 T C 2.497 177.194 174.700 -0.006 0.000 1.036 75 T CA 1.610 63.741 62.100 0.052 0.000 1.148 75 T CB -0.685 68.215 68.868 0.053 0.000 0.863 75 T HN 0.356 nan 8.240 nan 0.000 0.436 76 G N 2.095 110.888 108.800 -0.012 0.000 2.440 76 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 76 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 76 G C 1.616 176.517 174.900 0.001 0.000 1.154 76 G CA 0.757 45.844 45.100 -0.020 0.000 0.767 76 G HN 0.395 nan 8.290 nan 0.000 0.552 77 N N 1.116 119.830 118.700 0.024 0.000 2.348 77 N HA -0.052 4.688 4.740 0.001 0.000 0.185 77 N C 2.038 177.569 175.510 0.035 0.000 1.019 77 N CA 1.080 54.151 53.050 0.035 0.000 0.880 77 N CB -0.229 38.286 38.487 0.047 0.000 0.965 77 N HN 0.356 nan 8.380 nan 0.000 0.437 78 A N -0.419 122.419 122.820 0.029 0.000 2.275 78 A HA 0.163 4.483 4.320 0.001 0.000 0.212 78 A C 1.866 179.458 177.584 0.012 0.000 1.201 78 A CA 0.038 52.092 52.037 0.029 0.000 0.843 78 A CB -0.015 19.008 19.000 0.039 0.000 0.873 78 A HN 0.040 nan 8.150 nan 0.000 0.492 79 M N -0.564 119.032 119.600 -0.008 0.000 2.319 79 M HA -0.032 4.448 4.480 0.001 0.000 0.265 79 M C 2.142 178.431 176.300 -0.017 0.000 1.068 79 M CA 1.291 56.572 55.300 -0.031 0.000 1.118 79 M CB -1.298 31.267 32.600 -0.058 0.000 1.395 79 M HN 0.489 nan 8.290 nan 0.000 0.435 80 G N 0.036 108.836 108.800 -0.000 0.000 2.408 80 G HA2 -0.062 3.899 3.960 0.001 0.000 0.217 80 G HA3 -0.062 3.899 3.960 0.001 0.000 0.217 80 G C 1.646 176.551 174.900 0.007 0.000 1.150 80 G CA 1.000 46.099 45.100 -0.001 0.000 0.776 80 G HN 0.517 nan 8.290 nan 0.000 0.542 81 A N 0.620 123.458 122.820 0.030 0.000 1.933 81 A HA 0.108 4.428 4.320 0.001 0.000 0.218 81 A C 2.386 179.999 177.584 0.049 0.000 1.175 81 A CA 1.115 53.184 52.037 0.054 0.000 0.628 81 A CB -0.356 18.681 19.000 0.062 0.000 0.814 81 A HN 0.357 nan 8.150 nan 0.000 0.444 82 L N 0.435 121.680 121.223 0.036 0.000 2.201 82 L HA -0.165 4.176 4.340 0.001 0.000 0.212 82 L C 3.006 179.915 176.870 0.064 0.000 1.105 82 L CA 1.351 56.223 54.840 0.053 0.000 0.775 82 L CB -0.513 41.562 42.059 0.026 0.000 0.913 82 L HN 0.650 nan 8.230 nan 0.000 0.440 83 S N 0.051 115.763 115.700 0.020 0.000 2.370 83 S HA -0.202 4.268 4.470 0.001 0.000 0.226 83 S C 1.813 176.435 174.600 0.035 0.000 1.033 83 S CA 1.424 59.634 58.200 0.016 0.000 1.011 83 S CB -0.421 62.760 63.200 -0.031 0.000 0.852 83 S HN 0.429 nan 8.310 nan 0.000 0.457 84 N N 2.565 121.251 118.700 -0.025 0.000 2.106 84 N HA 0.055 4.795 4.740 0.001 0.000 0.188 84 N C 2.084 177.557 175.510 -0.062 0.000 1.029 84 N CA 1.516 54.500 53.050 -0.110 0.000 0.848 84 N CB -1.022 37.331 38.487 -0.223 0.000 1.007 84 N HN 0.635 nan 8.380 nan 0.000 0.423 85 A N 1.305 124.137 122.820 0.021 0.000 1.940 85 A HA -0.167 4.153 4.320 0.001 0.000 0.219 85 A C 2.053 179.682 177.584 0.075 0.000 1.176 85 A CA 1.013 53.081 52.037 0.051 0.000 0.631 85 A CB -1.026 18.029 19.000 0.091 0.000 0.814 85 A HN 0.590 nan 8.150 nan 0.000 0.446 86 W N 1.097 122.370 121.300 -0.046 0.000 2.355 86 W HA -0.196 4.466 4.660 0.002 0.000 0.309 86 W C 1.401 177.847 176.519 -0.121 0.000 1.206 86 W CA 2.016 59.335 57.345 -0.042 0.000 1.284 86 W CB -0.438 29.000 29.460 -0.036 0.000 1.145 86 W HN 0.400 nan 8.180 nan 0.000 0.502 87 N N 0.378 119.061 118.700 -0.028 0.000 2.309 87 N HA -0.147 4.593 4.740 0.001 0.000 0.182 87 N C 1.796 177.095 175.510 -0.352 0.000 1.018 87 N CA 2.000 54.932 53.050 -0.197 0.000 0.876 87 N CB -0.542 37.909 38.487 -0.060 0.000 0.972 87 N HN 0.137 nan 8.380 nan 0.000 0.434 88 S N -1.236 114.317 115.700 -0.245 0.000 2.575 88 S HA 0.051 4.521 4.470 0.001 0.000 0.215 88 S C -0.122 174.410 174.600 -0.114 0.000 0.966 88 S CA -0.249 57.852 58.200 -0.165 0.000 0.911 88 S CB -0.639 62.515 63.200 -0.076 0.000 0.780 88 S HN 0.421 nan 8.310 nan 0.000 0.514 89 H N 0.744 119.721 119.070 -0.155 0.000 2.713 89 H HA -0.128 4.429 4.556 0.001 0.000 0.311 89 H C -0.603 174.681 175.328 -0.074 0.000 1.175 89 H CA 0.398 56.344 56.048 -0.169 0.000 1.143 89 H CB -2.207 27.464 29.762 -0.152 0.000 1.434 89 H HN 0.345 nan 8.280 nan 0.000 0.418 90 S N 2.321 118.050 115.700 0.050 0.000 2.499 90 S HA 0.159 4.629 4.470 0.001 0.000 0.275 90 S C -1.856 172.783 174.600 0.066 0.000 1.257 90 S CA -1.053 57.184 58.200 0.062 0.000 1.050 90 S CB 1.049 64.285 63.200 0.060 0.000 0.937 90 S HN 0.203 nan 8.310 nan 0.000 0.490 91 P HA 0.256 nan 4.420 nan 0.000 0.256 91 P C -1.120 176.232 177.300 0.088 0.000 1.689 91 P CA -0.089 63.053 63.100 0.071 0.000 1.124 91 P CB -0.146 31.589 31.700 0.058 0.000 1.766 92 L N 4.533 125.812 121.223 0.095 0.000 2.313 92 L HA 0.512 4.853 4.340 0.001 0.000 0.283 92 L C 0.553 177.481 176.870 0.097 0.000 1.013 92 L CA -0.984 53.910 54.840 0.091 0.000 0.816 92 L CB 1.933 44.036 42.059 0.074 0.000 1.236 92 L HN 0.153 nan 8.230 nan 0.000 0.419 93 I N 4.144 124.760 120.570 0.077 0.000 2.307 93 I HA 0.214 4.384 4.170 0.001 0.000 0.287 93 I C -0.290 175.742 176.117 -0.142 0.000 1.054 93 I CA -0.490 60.829 61.300 0.031 0.000 1.218 93 I CB 1.318 39.386 38.000 0.112 0.000 1.398 93 I HN 0.228 nan 8.210 nan 0.000 0.475 94 V N 5.363 125.252 119.914 -0.043 0.000 2.364 94 V HA 0.336 4.456 4.120 0.001 0.000 0.272 94 V C 0.570 176.561 176.094 -0.171 0.000 1.036 94 V CA -0.402 61.866 62.300 -0.054 0.000 0.880 94 V CB 1.173 33.091 31.823 0.158 0.000 0.991 94 V HN 0.809 nan 8.190 nan 0.000 0.460 95 T N 2.274 116.639 114.554 -0.315 0.000 2.888 95 T HA 0.892 5.242 4.350 0.001 0.000 0.284 95 T C -0.416 174.155 174.700 -0.215 0.000 1.017 95 T CA -0.520 61.382 62.100 -0.331 0.000 1.022 95 T CB 2.088 70.748 68.868 -0.347 0.000 1.013 95 T HN 1.038 nan 8.240 nan 0.000 0.465 96 A N 1.383 124.056 122.820 -0.246 0.000 2.455 96 A HA 0.855 5.176 4.320 0.001 0.000 0.300 96 A C 0.195 177.755 177.584 -0.039 0.000 1.040 96 A CA -0.661 51.324 52.037 -0.087 0.000 0.697 96 A CB 1.378 20.367 19.000 -0.018 0.000 1.265 96 A HN 1.346 nan 8.150 nan 0.000 0.407 97 G N 0.161 109.001 108.800 0.068 0.000 2.444 97 G HA2 0.497 4.457 3.960 0.001 0.000 0.268 97 G HA3 0.497 4.457 3.960 0.001 0.000 0.268 97 G C -0.274 174.677 174.900 0.084 0.000 1.203 97 G CA -0.090 45.099 45.100 0.148 0.000 0.835 97 G HN 0.857 nan 8.290 nan 0.000 0.543 98 Q N 0.062 119.929 119.800 0.111 0.000 2.297 98 Q HA 0.342 4.682 4.340 0.001 0.000 0.268 98 Q C 0.206 176.299 176.000 0.154 0.000 1.045 98 Q CA -0.696 55.145 55.803 0.064 0.000 0.861 98 Q CB 1.186 29.916 28.738 -0.013 0.000 1.344 98 Q HN 0.488 nan 8.270 nan 0.000 0.452 99 Q N 0.415 120.277 119.800 0.103 0.000 2.540 99 Q HA 0.045 4.385 4.340 0.001 0.000 0.256 99 Q C -0.460 175.462 176.000 -0.131 0.000 1.084 99 Q CA 0.399 56.269 55.803 0.111 0.000 0.956 99 Q CB 0.548 29.325 28.738 0.066 0.000 1.303 99 Q HN 0.831 nan 8.270 nan 0.000 0.509 100 T N 0.901 115.184 114.554 -0.451 0.000 2.946 100 T HA -0.009 4.341 4.350 0.001 0.000 0.311 100 T C 1.372 175.909 174.700 -0.271 0.000 1.063 100 T CA 0.141 61.856 62.100 -0.642 0.000 1.139 100 T CB 0.345 68.726 68.868 -0.813 0.000 0.994 100 T HN 0.470 nan 8.240 nan 0.000 0.547 101 R N 3.117 123.483 120.500 -0.223 0.000 2.127 101 R HA -0.114 4.226 4.340 0.001 0.000 0.238 101 R C 2.535 178.774 176.300 -0.102 0.000 1.134 101 R CA 1.394 57.412 56.100 -0.137 0.000 0.975 101 R CB -0.466 29.762 30.300 -0.119 0.000 0.865 101 R HN 0.729 nan 8.270 nan 0.000 0.447 102 A N 0.445 123.204 122.820 -0.103 0.000 2.121 102 A HA -0.057 4.264 4.320 0.001 0.000 0.218 102 A C 1.751 179.307 177.584 -0.047 0.000 1.154 102 A CA 1.059 53.059 52.037 -0.063 0.000 0.679 102 A CB -0.015 18.954 19.000 -0.051 0.000 0.795 102 A HN 0.159 nan 8.150 nan 0.000 0.458 103 M N -1.144 118.425 119.600 -0.053 0.000 2.412 103 M HA 0.303 4.784 4.480 0.001 0.000 0.315 103 M C 1.029 177.317 176.300 -0.021 0.000 1.092 103 M CA 0.142 55.428 55.300 -0.023 0.000 0.974 103 M CB -0.041 32.559 32.600 0.000 0.000 1.437 103 M HN 0.326 nan 8.290 nan 0.000 0.524 104 I N 0.419 120.966 120.570 -0.038 0.000 2.226 104 I HA -0.164 4.006 4.170 0.001 0.000 0.245 104 I C 2.482 178.583 176.117 -0.025 0.000 1.100 104 I CA 1.557 62.837 61.300 -0.034 0.000 1.374 104 I CB -0.500 37.469 38.000 -0.052 0.000 1.057 104 I HN 0.373 nan 8.210 nan 0.000 0.413 105 G N 0.774 109.558 108.800 -0.026 0.000 2.418 105 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 105 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 105 G C 1.655 176.547 174.900 -0.013 0.000 1.158 105 G CA 1.101 46.188 45.100 -0.021 0.000 0.771 105 G HN 0.399 nan 8.290 nan 0.000 0.545 106 V N -2.080 117.829 119.914 -0.009 0.000 3.380 106 V HA 0.201 4.321 4.120 0.001 0.000 0.268 106 V C 0.671 176.766 176.094 0.001 0.000 1.168 106 V CA 0.973 63.271 62.300 -0.003 0.000 1.156 106 V CB -0.864 30.960 31.823 0.002 0.000 0.785 106 V HN 0.529 nan 8.190 nan 0.000 0.487 107 E N -0.059 120.141 120.200 -0.001 0.000 2.246 107 E HA -0.192 4.158 4.350 0.001 0.000 0.211 107 E C 0.624 177.232 176.600 0.014 0.000 1.278 107 E CA 0.170 56.572 56.400 0.003 0.000 0.694 107 E CB -1.612 28.087 29.700 -0.000 0.000 1.166 107 E HN 1.068 nan 8.360 nan 0.000 0.370 108 A N 0.876 123.708 122.820 0.020 0.000 2.492 108 A HA 0.228 4.548 4.320 0.001 0.000 0.236 108 A C 0.529 178.138 177.584 0.043 0.000 1.078 108 A CA -0.151 51.906 52.037 0.035 0.000 0.773 108 A CB 0.346 19.375 19.000 0.047 0.000 1.023 108 A HN 0.390 nan 8.150 nan 0.000 0.504 109 L N 1.134 122.387 121.223 0.050 0.000 2.593 109 L HA 0.063 4.403 4.340 0.001 0.000 0.287 109 L C 0.833 177.751 176.870 0.081 0.000 1.243 109 L CA 1.551 56.426 54.840 0.059 0.000 0.890 109 L CB -0.355 41.741 42.059 0.062 0.000 1.134 109 L HN 0.742 nan 8.230 nan 0.000 0.502 110 L N 1.560 122.829 121.223 0.077 0.000 4.885 110 L HA -0.213 4.128 4.340 0.001 0.000 0.404 110 L C 0.358 177.249 176.870 0.034 0.000 0.970 110 L CA 0.377 55.263 54.840 0.076 0.000 1.426 110 L CB -2.631 39.528 42.059 0.167 0.000 1.934 110 L HN 0.728 nan 8.230 nan 0.000 0.613 111 T N 1.154 115.726 114.554 0.031 0.000 2.870 111 T HA 0.161 4.512 4.350 0.001 0.000 0.300 111 T C 0.632 175.327 174.700 -0.009 0.000 0.989 111 T CA 0.068 62.175 62.100 0.011 0.000 1.139 111 T CB 0.982 69.855 68.868 0.008 0.000 0.920 111 T HN 0.172 nan 8.240 nan 0.000 0.537 112 N N 3.845 122.535 118.700 -0.017 0.000 2.521 112 N HA 0.145 4.885 4.740 0.001 0.000 0.236 112 N C -0.603 174.896 175.510 -0.017 0.000 1.067 112 N CA -0.328 52.713 53.050 -0.016 0.000 0.939 112 N CB 0.276 38.761 38.487 -0.004 0.000 1.201 112 N HN 0.269 nan 8.380 nan 0.000 0.511 113 V N 3.342 123.245 119.914 -0.019 0.000 2.572 113 V HA 0.038 4.159 4.120 0.001 0.000 0.291 113 V C 0.752 176.829 176.094 -0.029 0.000 1.039 113 V CA -0.226 62.060 62.300 -0.024 0.000 1.055 113 V CB 0.665 32.476 31.823 -0.021 0.000 0.969 113 V HN 0.770 nan 8.190 nan 0.000 0.482 114 D N 3.507 123.885 120.400 -0.036 0.000 2.689 114 D HA -0.244 4.396 4.640 0.001 0.000 0.237 114 D C 1.267 177.544 176.300 -0.039 0.000 1.148 114 D CA 0.940 54.914 54.000 -0.042 0.000 0.656 114 D CB -0.596 40.180 40.800 -0.040 0.000 1.050 114 D HN 0.803 nan 8.370 nan 0.000 0.426 115 A N 0.509 123.313 122.820 -0.026 0.000 1.892 115 A HA 0.025 4.345 4.320 0.001 0.000 0.218 115 A C 2.518 180.134 177.584 0.054 0.000 1.188 115 A CA 2.610 54.665 52.037 0.029 0.000 0.631 115 A CB -0.798 18.230 19.000 0.048 0.000 0.822 115 A HN 0.848 nan 8.150 nan 0.000 0.447 116 A N -0.363 122.459 122.820 0.005 0.000 2.019 116 A HA -0.156 4.164 4.320 0.001 0.000 0.219 116 A C 1.822 179.368 177.584 -0.063 0.000 1.164 116 A CA 1.639 53.675 52.037 -0.002 0.000 0.644 116 A CB -0.528 18.423 19.000 -0.081 0.000 0.805 116 A HN 0.542 nan 8.150 nan 0.000 0.449 117 N N -0.470 118.186 118.700 -0.074 0.000 2.457 117 N HA -0.051 4.690 4.740 0.001 0.000 0.180 117 N C 1.481 176.913 175.510 -0.130 0.000 1.050 117 N CA 0.766 53.761 53.050 -0.092 0.000 0.906 117 N CB -0.277 38.168 38.487 -0.070 0.000 0.968 117 N HN 0.449 nan 8.380 nan 0.000 0.445 118 L N 2.624 123.755 121.223 -0.154 0.000 1.970 118 L HA -0.043 4.297 4.340 0.001 0.000 0.212 118 L C -0.999 175.714 176.870 -0.261 0.000 1.071 118 L CA 2.104 56.829 54.840 -0.191 0.000 0.751 118 L CB -1.408 40.539 42.059 -0.187 0.000 0.889 118 L HN 0.090 nan 8.230 nan 0.000 0.432 119 P HA -0.056 nan 4.420 nan 0.000 0.245 119 P C -0.114 177.039 177.300 -0.245 0.000 1.206 119 P CA 0.316 63.199 63.100 -0.361 0.000 0.781 119 P CB -0.082 31.280 31.700 -0.564 0.000 0.994 120 R N 2.072 122.446 120.500 -0.210 0.000 2.590 120 R HA 0.135 4.475 4.340 0.001 0.000 0.274 120 R C -1.411 174.775 176.300 -0.191 0.000 1.061 120 R CA -0.909 55.080 56.100 -0.185 0.000 1.081 120 R CB -0.117 30.099 30.300 -0.140 0.000 0.984 120 R HN 0.121 nan 8.270 nan 0.000 0.448 121 P HA 0.110 nan 4.420 nan 0.000 0.254 121 P C 0.083 177.056 177.300 -0.544 0.000 1.620 121 P CA 0.291 63.198 63.100 -0.322 0.000 1.050 121 P CB 0.327 31.849 31.700 -0.296 0.000 1.539 122 L N -0.060 120.910 121.223 -0.422 0.000 2.653 122 L HA 0.187 4.527 4.340 0.001 0.000 0.231 122 L C 0.799 177.604 176.870 -0.108 0.000 1.153 122 L CA -0.238 54.352 54.840 -0.416 0.000 0.933 122 L CB 0.328 42.269 42.059 -0.197 0.000 1.175 122 L HN -0.105 nan 8.230 nan 0.000 0.473 123 V N -5.021 114.846 119.914 -0.077 0.000 2.962 123 V HA 0.383 4.504 4.120 0.001 0.000 0.313 123 V C 0.631 176.936 176.094 0.351 0.000 1.099 123 V CA -0.999 61.434 62.300 0.222 0.000 0.971 123 V CB 2.203 34.108 31.823 0.136 0.000 1.028 123 V HN 0.037 nan 8.190 nan 0.000 0.430 124 K N 0.993 121.695 120.400 0.503 0.000 2.217 124 K HA 0.119 4.439 4.320 0.001 0.000 0.202 124 K C -0.290 176.558 176.600 0.413 0.000 1.051 124 K CA 1.439 58.008 56.287 0.469 0.000 0.952 124 K CB 0.197 32.901 32.500 0.340 0.000 0.736 124 K HN 0.754 nan 8.250 nan 0.000 0.453 125 W N -0.283 121.111 121.300 0.156 0.000 3.479 125 W HA 0.328 4.989 4.660 0.002 0.000 0.304 125 W C -1.716 174.895 176.519 0.154 0.000 1.243 125 W CA -0.604 56.812 57.345 0.118 0.000 1.202 125 W CB 1.863 31.368 29.460 0.075 0.000 1.346 125 W HN -0.361 nan 8.180 nan 0.000 0.539 126 S N 4.712 120.121 115.700 -0.485 0.000 2.572 126 S HA 0.734 5.205 4.470 0.001 0.000 0.274 126 S C -2.279 171.999 174.600 -0.536 0.000 1.150 126 S CA -0.346 57.653 58.200 -0.335 0.000 0.944 126 S CB 0.795 63.943 63.200 -0.087 0.000 1.071 126 S HN 0.527 nan 8.310 nan 0.000 0.479 127 Y N 1.998 121.919 120.300 -0.632 0.000 2.604 127 Y HA 0.513 5.064 4.550 0.001 0.000 0.331 127 Y C -1.463 174.239 175.900 -0.330 0.000 1.158 127 Y CA -0.677 57.058 58.100 -0.607 0.000 1.056 127 Y CB 1.548 39.337 38.460 -1.118 0.000 1.330 127 Y HN 0.699 nan 8.280 nan 0.000 0.457 128 E N 6.189 125.905 120.200 -0.808 0.000 2.218 128 E HA 0.509 4.859 4.350 0.001 0.000 0.263 128 E C -2.862 173.218 176.600 -0.866 0.000 0.879 128 E CA -2.469 53.563 56.400 -0.612 0.000 0.762 128 E CB 1.877 31.357 29.700 -0.367 0.000 1.166 128 E HN 0.312 nan 8.360 nan 0.000 0.415 129 P HA 0.088 nan 4.420 nan 0.000 0.272 129 P C -0.336 176.850 177.300 -0.191 0.000 1.223 129 P CA 0.027 62.992 63.100 -0.225 0.000 0.784 129 P CB 1.086 32.786 31.700 -0.000 0.000 0.923 130 A N 1.170 123.944 122.820 -0.077 0.000 2.208 130 A HA 0.234 4.554 4.320 0.001 0.000 0.209 130 A C 0.608 178.166 177.584 -0.044 0.000 1.161 130 A CA 1.024 53.025 52.037 -0.059 0.000 0.782 130 A CB -0.563 18.434 19.000 -0.006 0.000 0.816 130 A HN 0.612 nan 8.150 nan 0.000 0.477 131 S N -3.974 111.705 115.700 -0.036 0.000 2.588 131 S HA 0.617 5.088 4.470 0.001 0.000 0.269 131 S C 0.640 175.205 174.600 -0.057 0.000 1.157 131 S CA -0.052 58.123 58.200 -0.041 0.000 0.824 131 S CB 1.042 64.234 63.200 -0.014 0.000 1.126 131 S HN 0.923 nan 8.310 nan 0.000 0.464 132 A N 1.379 124.156 122.820 -0.072 0.000 1.902 132 A HA 0.278 4.598 4.320 0.001 0.000 0.217 132 A C 2.235 179.786 177.584 -0.054 0.000 1.181 132 A CA 1.938 53.915 52.037 -0.100 0.000 0.623 132 A CB -1.532 17.418 19.000 -0.084 0.000 0.818 132 A HN 1.727 nan 8.150 nan 0.000 0.443 133 A N -0.740 122.074 122.820 -0.011 0.000 2.172 133 A HA -0.084 4.237 4.320 0.001 0.000 0.216 133 A C 1.867 179.476 177.584 0.042 0.000 1.154 133 A CA 1.454 53.503 52.037 0.020 0.000 0.701 133 A CB -0.421 18.592 19.000 0.022 0.000 0.789 133 A HN 0.681 nan 8.150 nan 0.000 0.465 134 E N -0.151 120.079 120.200 0.049 0.000 2.371 134 E HA -0.030 4.320 4.350 0.001 0.000 0.194 134 E C 1.491 178.172 176.600 0.136 0.000 1.012 134 E CA 0.600 57.072 56.400 0.120 0.000 0.860 134 E CB -0.020 29.769 29.700 0.148 0.000 0.811 134 E HN 0.343 nan 8.360 nan 0.000 0.502 135 V N 1.740 121.678 119.914 0.039 0.000 2.287 135 V HA -0.202 3.919 4.120 0.001 0.000 0.248 135 V C -0.792 175.357 176.094 0.091 0.000 1.053 135 V CA 2.124 64.423 62.300 -0.001 0.000 1.027 135 V CB -1.226 30.462 31.823 -0.224 0.000 0.646 135 V HN 0.299 nan 8.190 nan 0.000 0.447 136 P HA -0.182 nan 4.420 nan 0.000 0.216 136 P C 1.715 179.124 177.300 0.182 0.000 1.153 136 P CA 1.555 64.760 63.100 0.176 0.000 0.848 136 P CB -0.208 31.604 31.700 0.187 0.000 0.787 137 H N -0.123 118.997 119.070 0.083 0.000 2.353 137 H HA -0.087 4.470 4.556 0.000 0.000 0.300 137 H C 1.718 177.095 175.328 0.081 0.000 1.090 137 H CA 1.626 57.713 56.048 0.064 0.000 1.327 137 H CB -0.202 29.585 29.762 0.042 0.000 1.383 137 H HN -0.023 nan 8.280 nan 0.000 0.508 138 A N 0.896 123.752 122.820 0.061 0.000 1.933 138 A HA -0.171 4.149 4.320 0.001 0.000 0.218 138 A C 2.429 180.101 177.584 0.146 0.000 1.175 138 A CA 1.589 53.703 52.037 0.128 0.000 0.628 138 A CB -0.612 18.607 19.000 0.365 0.000 0.814 138 A HN 0.484 nan 8.150 nan 0.000 0.444 139 M N -0.264 119.419 119.600 0.137 0.000 2.175 139 M HA -0.067 4.413 4.480 0.001 0.000 0.264 139 M C 2.270 178.606 176.300 0.061 0.000 1.063 139 M CA 1.975 57.365 55.300 0.150 0.000 1.119 139 M CB -0.533 32.177 32.600 0.184 0.000 1.377 139 M HN 0.385 nan 8.290 nan 0.000 0.415 140 S N -0.097 115.614 115.700 0.017 0.000 2.359 140 S HA -0.189 4.282 4.470 0.001 0.000 0.224 140 S C 2.056 176.581 174.600 -0.125 0.000 1.035 140 S CA 1.694 59.876 58.200 -0.030 0.000 1.018 140 S CB -0.200 63.037 63.200 0.061 0.000 0.876 140 S HN 0.614 nan 8.310 nan 0.000 0.448 141 R N 0.715 121.053 120.500 -0.270 0.000 2.091 141 R HA -0.054 4.286 4.340 0.001 0.000 0.238 141 R C 2.675 178.699 176.300 -0.459 0.000 1.136 141 R CA 1.407 57.200 56.100 -0.512 0.000 0.959 141 R CB -0.674 29.046 30.300 -0.966 0.000 0.856 141 R HN 0.515 nan 8.270 nan 0.000 0.437 142 A N 1.285 124.006 122.820 -0.166 0.000 1.877 142 A HA -0.164 4.157 4.320 0.001 0.000 0.216 142 A C 2.185 179.775 177.584 0.011 0.000 1.186 142 A CA 1.351 53.451 52.037 0.106 0.000 0.620 142 A CB -0.546 18.630 19.000 0.293 0.000 0.822 142 A HN 0.190 nan 8.150 nan 0.000 0.443 143 I N -1.010 119.514 120.570 -0.076 0.000 2.163 143 I HA -0.293 3.877 4.170 0.001 0.000 0.243 143 I C 2.506 178.484 176.117 -0.231 0.000 1.085 143 I CA 1.542 62.745 61.300 -0.163 0.000 1.347 143 I CB -0.538 37.282 38.000 -0.300 0.000 1.044 143 I HN 0.406 nan 8.210 nan 0.000 0.408 144 H N -0.256 118.778 119.070 -0.059 0.000 2.395 144 H HA -0.017 4.539 4.556 0.001 0.000 0.299 144 H C 2.341 177.606 175.328 -0.104 0.000 1.070 144 H CA 1.122 57.114 56.048 -0.093 0.000 1.356 144 H CB -0.182 29.502 29.762 -0.130 0.000 1.401 144 H HN 0.242 nan 8.280 nan 0.000 0.524 145 M N 0.480 120.047 119.600 -0.055 0.000 2.159 145 M HA -0.058 4.423 4.480 0.001 0.000 0.263 145 M C 2.507 178.825 176.300 0.030 0.000 1.063 145 M CA 1.009 56.279 55.300 -0.051 0.000 1.110 145 M CB -0.996 31.537 32.600 -0.112 0.000 1.374 145 M HN 0.217 nan 8.290 nan 0.000 0.411 146 A N -0.888 121.962 122.820 0.051 0.000 1.969 146 A HA -0.066 4.254 4.320 0.001 0.000 0.218 146 A C 2.411 180.017 177.584 0.038 0.000 1.169 146 A CA 1.901 53.980 52.037 0.070 0.000 0.635 146 A CB -0.501 18.552 19.000 0.088 0.000 0.810 146 A HN 0.491 nan 8.150 nan 0.000 0.445 147 S N -0.796 114.919 115.700 0.026 0.000 2.486 147 S HA 0.239 4.709 4.470 0.001 0.000 0.220 147 S C 0.797 175.396 174.600 -0.002 0.000 1.011 147 S CA -0.028 58.184 58.200 0.019 0.000 0.921 147 S CB -0.159 63.061 63.200 0.033 0.000 0.785 147 S HN 0.527 nan 8.310 nan 0.000 0.517 148 M N 1.962 121.556 119.600 -0.009 0.000 2.238 148 M HA 0.300 4.780 4.480 0.001 0.000 0.347 148 M C 0.330 176.591 176.300 -0.065 0.000 1.173 148 M CA -0.401 54.875 55.300 -0.039 0.000 1.147 148 M CB 0.416 32.989 32.600 -0.045 0.000 1.547 148 M HN 0.146 nan 8.290 nan 0.000 0.455 149 A N 5.077 127.846 122.820 -0.085 0.000 2.511 149 A HA 0.338 4.658 4.320 0.001 0.000 0.242 149 A C -2.205 175.297 177.584 -0.137 0.000 1.069 149 A CA -1.036 50.922 52.037 -0.131 0.000 0.763 149 A CB -0.820 18.110 19.000 -0.117 0.000 1.001 149 A HN 0.517 nan 8.150 nan 0.000 0.498 150 P HA 0.142 nan 4.420 nan 0.000 0.282 150 P C -0.516 176.620 177.300 -0.273 0.000 1.262 150 P CA -0.118 62.753 63.100 -0.381 0.000 0.773 150 P CB 0.617 31.996 31.700 -0.536 0.000 0.879 151 Q N 1.170 120.837 119.800 -0.222 0.000 2.474 151 Q HA 0.483 4.823 4.340 0.001 0.000 0.256 151 Q C 0.724 176.699 176.000 -0.042 0.000 1.048 151 Q CA 0.450 56.206 55.803 -0.079 0.000 0.922 151 Q CB 0.362 29.085 28.738 -0.026 0.000 1.288 151 Q HN 0.745 nan 8.270 nan 0.000 0.484 152 G N 0.800 109.606 108.800 0.010 0.000 2.356 152 G HA2 0.310 4.270 3.960 0.001 0.000 0.294 152 G HA3 0.310 4.270 3.960 0.001 0.000 0.294 152 G C -3.102 171.870 174.900 0.120 0.000 1.423 152 G CA -0.907 44.211 45.100 0.029 0.000 0.806 152 G HN 0.368 nan 8.290 nan 0.000 0.527 153 P HA 0.489 nan 4.420 nan 0.000 0.278 153 P C -0.063 177.387 177.300 0.250 0.000 1.238 153 P CA -0.252 62.967 63.100 0.199 0.000 0.794 153 P CB 1.678 33.499 31.700 0.202 0.000 0.955 154 V N 0.356 120.411 119.914 0.235 0.000 3.102 154 V HA 0.689 4.809 4.120 0.001 0.000 0.312 154 V C -1.668 174.597 176.094 0.285 0.000 1.135 154 V CA -1.055 61.422 62.300 0.296 0.000 1.022 154 V CB 2.257 34.298 31.823 0.363 0.000 1.056 154 V HN 0.500 nan 8.190 nan 0.000 0.436 155 Y N 2.313 122.665 120.300 0.086 0.000 2.457 155 Y HA 0.838 5.389 4.550 0.000 0.000 0.343 155 Y C -1.453 174.417 175.900 -0.050 0.000 0.994 155 Y CA -1.227 56.871 58.100 -0.004 0.000 1.031 155 Y CB 2.118 40.550 38.460 -0.047 0.000 1.246 155 Y HN 0.934 nan 8.280 nan 0.000 0.449 156 L N 5.111 126.047 121.223 -0.479 0.000 2.439 156 L HA 0.614 4.954 4.340 0.001 0.000 0.270 156 L C -1.175 175.345 176.870 -0.584 0.000 0.972 156 L CA -0.190 54.420 54.840 -0.384 0.000 0.836 156 L CB 1.954 43.972 42.059 -0.069 0.000 1.255 156 L HN 0.576 nan 8.230 nan 0.000 0.404 157 S N 4.100 119.510 115.700 -0.484 0.000 2.462 157 S HA 0.837 5.308 4.470 0.001 0.000 0.294 157 S C -1.034 173.442 174.600 -0.207 0.000 1.144 157 S CA -0.440 57.550 58.200 -0.350 0.000 1.088 157 S CB 0.962 64.010 63.200 -0.253 0.000 1.009 157 S HN 0.458 nan 8.310 nan 0.000 0.484 158 V N 7.448 127.288 119.914 -0.122 0.000 2.482 158 V HA 0.416 4.536 4.120 0.001 0.000 0.295 158 V C -2.460 173.599 176.094 -0.058 0.000 1.026 158 V CA -2.035 60.185 62.300 -0.134 0.000 0.856 158 V CB 1.558 33.285 31.823 -0.160 0.000 1.001 158 V HN 0.730 nan 8.190 nan 0.000 0.424 159 P HA -0.020 nan 4.420 nan 0.000 0.264 159 P C 0.264 177.550 177.300 -0.023 0.000 1.183 159 P CA 0.167 63.215 63.100 -0.086 0.000 0.763 159 P CB 0.197 31.800 31.700 -0.161 0.000 0.807 160 Y N 2.903 123.263 120.300 0.101 0.000 2.421 160 Y HA -0.141 4.409 4.550 0.000 0.000 0.292 160 Y C 1.457 177.495 175.900 0.229 0.000 1.136 160 Y CA 1.275 59.533 58.100 0.263 0.000 1.255 160 Y CB -1.288 37.332 38.460 0.267 0.000 0.991 160 Y HN 0.284 nan 8.280 nan 0.000 0.552 161 D N -0.405 119.948 120.400 -0.080 0.000 2.363 161 D HA -0.150 4.490 4.640 0.001 0.000 0.220 161 D C 0.722 177.024 176.300 0.003 0.000 0.994 161 D CA 0.813 54.809 54.000 -0.008 0.000 0.890 161 D CB -0.370 40.324 40.800 -0.176 0.000 0.906 161 D HN 0.371 nan 8.370 nan 0.000 0.530 162 D N 0.542 120.862 120.400 -0.133 0.000 2.178 162 D HA -0.106 4.534 4.640 0.001 0.000 0.202 162 D C 1.639 177.860 176.300 -0.131 0.000 0.974 162 D CA 0.652 54.511 54.000 -0.234 0.000 0.841 162 D CB -0.560 39.961 40.800 -0.466 0.000 0.953 162 D HN 0.439 nan 8.370 nan 0.000 0.478 163 W N 1.304 122.716 121.300 0.186 0.000 2.363 163 W HA -0.091 4.569 4.660 0.000 0.000 0.296 163 W C 1.634 178.282 176.519 0.215 0.000 1.212 163 W CA 0.403 57.899 57.345 0.253 0.000 1.260 163 W CB -0.049 29.634 29.460 0.371 0.000 1.131 163 W HN -0.115 nan 8.180 nan 0.000 0.530 164 D N -0.225 120.382 120.400 0.344 0.000 2.355 164 D HA -0.026 4.614 4.640 0.001 0.000 0.218 164 D C 0.891 177.281 176.300 0.150 0.000 1.004 164 D CA 0.723 54.855 54.000 0.220 0.000 0.880 164 D CB -0.154 40.749 40.800 0.173 0.000 0.911 164 D HN -0.062 nan 8.370 nan 0.000 0.528 165 K N 1.338 121.813 120.400 0.125 0.000 2.138 165 K HA 0.108 4.428 4.320 0.001 0.000 0.251 165 K C 0.053 176.709 176.600 0.092 0.000 1.015 165 K CA -0.392 55.943 56.287 0.079 0.000 0.917 165 K CB 0.469 32.991 32.500 0.037 0.000 1.021 165 K HN -0.085 nan 8.250 nan 0.000 0.485 166 D N 0.594 121.037 120.400 0.071 0.000 2.424 166 D HA 0.155 4.795 4.640 0.001 0.000 0.244 166 D C 0.041 176.387 176.300 0.077 0.000 1.134 166 D CA 0.170 54.215 54.000 0.076 0.000 0.881 166 D CB 0.704 41.539 40.800 0.058 0.000 1.191 166 D HN 0.456 nan 8.370 nan 0.000 0.445 167 A N 1.939 124.818 122.820 0.098 0.000 2.304 167 A HA 0.193 4.513 4.320 0.001 0.000 0.271 167 A C 0.241 177.870 177.584 0.075 0.000 1.091 167 A CA -0.557 51.538 52.037 0.097 0.000 0.812 167 A CB 0.448 19.530 19.000 0.137 0.000 1.056 167 A HN 0.471 nan 8.150 nan 0.000 0.489 168 D N 0.796 121.233 120.400 0.061 0.000 2.401 168 D HA 0.221 4.861 4.640 0.001 0.000 0.254 168 D C -1.633 174.701 176.300 0.056 0.000 1.192 168 D CA -1.569 52.458 54.000 0.045 0.000 0.885 168 D CB 1.028 41.842 40.800 0.023 0.000 1.147 168 D HN 0.093 nan 8.370 nan 0.000 0.478 169 P HA -0.117 nan 4.420 nan 0.000 0.219 169 P C 0.965 178.340 177.300 0.126 0.000 1.146 169 P CA 0.826 63.984 63.100 0.096 0.000 0.808 169 P CB 0.276 32.028 31.700 0.087 0.000 0.779 170 Q N -1.013 118.830 119.800 0.071 0.000 2.515 170 Q HA 0.047 4.388 4.340 0.001 0.000 0.212 170 Q C 1.725 177.656 176.000 -0.114 0.000 0.970 170 Q CA 0.709 56.526 55.803 0.023 0.000 0.941 170 Q CB -0.664 28.104 28.738 0.050 0.000 0.998 170 Q HN 0.261 nan 8.270 nan 0.000 0.518 171 S N 0.535 116.175 115.700 -0.100 0.000 2.507 171 S HA -0.119 4.351 4.470 0.001 0.000 0.235 171 S C 1.562 175.850 174.600 -0.520 0.000 0.988 171 S CA 0.629 58.721 58.200 -0.181 0.000 0.944 171 S CB -0.340 62.828 63.200 -0.053 0.000 0.762 171 S HN 0.604 nan 8.310 nan 0.000 0.526 172 H N 0.758 119.486 119.070 -0.570 0.000 2.457 172 H HA -0.086 4.470 4.556 0.000 0.000 0.297 172 H C 1.346 176.243 175.328 -0.719 0.000 1.092 172 H CA 1.444 56.887 56.048 -1.009 0.000 1.309 172 H CB -0.707 28.765 29.762 -0.482 0.000 1.382 172 H HN 0.536 nan 8.280 nan 0.000 0.535 173 H N 0.993 119.564 119.070 -0.832 0.000 2.518 173 H HA -0.008 4.549 4.556 0.000 0.000 0.289 173 H C 2.444 177.645 175.328 -0.212 0.000 1.051 173 H CA 0.966 56.745 56.048 -0.449 0.000 1.280 173 H CB 0.280 29.803 29.762 -0.397 0.000 1.380 173 H HN 0.399 nan 8.280 nan 0.000 0.566 174 L N -0.356 120.786 121.223 -0.135 0.000 2.217 174 L HA -0.121 4.220 4.340 0.001 0.000 0.211 174 L C 2.140 179.121 176.870 0.185 0.000 1.107 174 L CA 0.362 55.225 54.840 0.039 0.000 0.783 174 L CB -0.409 41.687 42.059 0.063 0.000 0.919 174 L HN 0.071 nan 8.230 nan 0.000 0.442 175 F N 0.523 120.546 119.950 0.122 0.000 2.102 175 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 175 F C 1.866 177.740 175.800 0.123 0.000 1.105 175 F CA 1.043 59.114 58.000 0.119 0.000 1.239 175 F CB -0.583 38.484 39.000 0.112 0.000 0.991 175 F HN 0.131 nan 8.300 nan 0.000 0.474 176 D N -0.366 120.222 120.400 0.312 0.000 2.424 176 D HA 0.066 4.706 4.640 0.001 0.000 0.220 176 D C 0.326 176.743 176.300 0.196 0.000 1.150 176 D CA -0.041 54.094 54.000 0.225 0.000 0.831 176 D CB -0.050 40.864 40.800 0.189 0.000 0.981 176 D HN 0.107 nan 8.370 nan 0.000 0.500 177 R N 1.033 121.650 120.500 0.195 0.000 2.522 177 R HA 0.047 4.387 4.340 0.001 0.000 0.284 177 R C 0.445 176.832 176.300 0.146 0.000 1.032 177 R CA 0.315 56.492 56.100 0.129 0.000 1.049 177 R CB 0.582 30.921 30.300 0.065 0.000 0.956 177 R HN 0.194 nan 8.270 nan 0.000 0.422 178 H N 3.014 122.087 119.070 0.006 0.000 2.481 178 H HA 0.295 4.851 4.556 -0.000 0.000 0.333 178 H C -1.296 173.985 175.328 -0.079 0.000 1.066 178 H CA -0.622 55.427 56.048 0.002 0.000 1.209 178 H CB 1.164 30.935 29.762 0.016 0.000 1.445 178 H HN 0.208 nan 8.280 nan 0.000 0.488 179 V N 4.644 124.257 119.914 -0.500 0.000 2.407 179 V HA 0.172 4.292 4.120 0.001 0.000 0.291 179 V C 0.099 175.967 176.094 -0.377 0.000 1.018 179 V CA -0.598 61.471 62.300 -0.385 0.000 0.842 179 V CB 1.408 32.955 31.823 -0.461 0.000 0.996 179 V HN 0.741 nan 8.190 nan 0.000 0.426 180 S N 2.854 118.428 115.700 -0.210 0.000 2.472 180 S HA 0.572 5.043 4.470 0.001 0.000 0.303 180 S C 0.532 175.092 174.600 -0.066 0.000 1.099 180 S CA -0.058 58.074 58.200 -0.113 0.000 1.077 180 S CB 1.599 64.819 63.200 0.035 0.000 1.031 180 S HN 0.921 nan 8.310 nan 0.000 0.487 181 S N 2.254 117.922 115.700 -0.054 0.000 2.741 181 S HA 0.245 4.716 4.470 0.001 0.000 0.247 181 S C -0.212 174.370 174.600 -0.030 0.000 1.050 181 S CA -0.543 57.630 58.200 -0.045 0.000 1.025 181 S CB 0.238 63.404 63.200 -0.056 0.000 0.897 181 S HN 0.410 nan 8.310 nan 0.000 0.508 182 S N 2.886 118.579 115.700 -0.012 0.000 4.087 182 S HA 0.419 4.889 4.470 0.001 0.000 0.213 182 S C 0.266 174.865 174.600 -0.002 0.000 1.415 182 S CA -0.486 57.713 58.200 -0.002 0.000 0.893 182 S CB -0.303 62.909 63.200 0.019 0.000 1.529 182 S HN 0.653 nan 8.310 nan 0.000 0.457 183 V N 1.393 121.300 119.914 -0.012 0.000 2.919 183 V HA 0.979 5.100 4.120 0.001 0.000 0.316 183 V C -0.642 175.444 176.094 -0.014 0.000 1.077 183 V CA -1.435 60.858 62.300 -0.012 0.000 0.977 183 V CB 2.045 33.858 31.823 -0.018 0.000 1.039 183 V HN 0.621 nan 8.190 nan 0.000 0.441 184 R N 2.286 122.780 120.500 -0.011 0.000 2.799 184 R HA 0.763 5.103 4.340 0.001 0.000 0.270 184 R C -1.018 175.276 176.300 -0.011 0.000 1.010 184 R CA -1.016 55.078 56.100 -0.011 0.000 0.916 184 R CB 0.718 31.014 30.300 -0.007 0.000 1.228 184 R HN 0.808 nan 8.270 nan 0.000 0.469 185 L N 2.152 123.368 121.223 -0.011 0.000 2.559 185 L HA 0.134 4.474 4.340 0.001 0.000 0.282 185 L C -0.371 176.494 176.870 -0.008 0.000 1.232 185 L CA 0.546 55.379 54.840 -0.011 0.000 0.885 185 L CB -0.150 41.903 42.059 -0.010 0.000 1.131 185 L HN 0.923 nan 8.230 nan 0.000 0.498 186 N N 1.979 120.674 118.700 -0.008 0.000 2.374 186 N HA -0.070 4.671 4.740 0.001 0.000 0.241 186 N C 0.400 175.907 175.510 -0.005 0.000 1.262 186 N CA 0.173 53.219 53.050 -0.006 0.000 0.880 186 N CB 0.257 38.740 38.487 -0.007 0.000 1.105 186 N HN 0.596 nan 8.380 nan 0.000 0.438 187 D N -0.227 120.171 120.400 -0.004 0.000 2.123 187 D HA -0.228 4.412 4.640 0.001 0.000 0.196 187 D C 1.542 177.840 176.300 -0.002 0.000 0.992 187 D CA 1.296 55.294 54.000 -0.002 0.000 0.833 187 D CB -0.298 40.500 40.800 -0.002 0.000 0.954 187 D HN 0.808 nan 8.370 nan 0.000 0.455 188 Q N 0.303 120.102 119.800 -0.003 0.000 2.050 188 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 188 Q C 1.080 177.078 176.000 -0.003 0.000 0.980 188 Q CA 1.458 57.260 55.803 -0.003 0.000 0.840 188 Q CB 0.180 28.916 28.738 -0.003 0.000 0.898 188 Q HN 0.131 nan 8.270 nan 0.000 0.424 189 D N 0.218 120.616 120.400 -0.004 0.000 2.234 189 D HA -0.097 4.544 4.640 0.001 0.000 0.205 189 D C 1.824 178.122 176.300 -0.004 0.000 0.962 189 D CA 0.330 54.327 54.000 -0.005 0.000 0.855 189 D CB -0.021 40.775 40.800 -0.007 0.000 0.951 189 D HN 0.217 nan 8.370 nan 0.000 0.500 190 L N 1.204 122.424 121.223 -0.004 0.000 2.093 190 L HA -0.120 4.221 4.340 0.001 0.000 0.208 190 L C 1.325 178.195 176.870 -0.001 0.000 1.085 190 L CA 1.767 56.605 54.840 -0.003 0.000 0.755 190 L CB -0.383 41.675 42.059 -0.002 0.000 0.904 190 L HN -0.196 nan 8.230 nan 0.000 0.435 191 D N -0.391 120.008 120.400 -0.000 0.000 2.144 191 D HA -0.160 4.481 4.640 0.001 0.000 0.199 191 D C 2.333 178.634 176.300 0.001 0.000 0.984 191 D CA 1.557 55.557 54.000 0.001 0.000 0.834 191 D CB -0.066 40.735 40.800 0.001 0.000 0.955 191 D HN 0.420 nan 8.370 nan 0.000 0.465 192 I N 0.378 120.948 120.570 -0.000 0.000 2.179 192 I HA -0.255 3.915 4.170 0.001 0.000 0.242 192 I C 2.345 178.462 176.117 0.001 0.000 1.088 192 I CA 0.585 61.885 61.300 0.000 0.000 1.357 192 I CB -0.159 37.840 38.000 -0.001 0.000 1.051 192 I HN 0.028 nan 8.210 nan 0.000 0.409 193 L N 0.478 121.701 121.223 -0.001 0.000 2.017 193 L HA -0.157 4.183 4.340 0.001 0.000 0.208 193 L C 2.396 179.268 176.870 0.003 0.000 1.073 193 L CA 1.787 56.627 54.840 -0.000 0.000 0.745 193 L CB -0.560 41.498 42.059 -0.003 0.000 0.894 193 L HN -0.021 nan 8.230 nan 0.000 0.432 194 V N -0.122 119.795 119.914 0.004 0.000 2.332 194 V HA -0.328 3.792 4.120 0.001 0.000 0.248 194 V C 2.622 178.721 176.094 0.008 0.000 1.055 194 V CA 2.209 64.513 62.300 0.006 0.000 1.038 194 V CB -0.677 31.149 31.823 0.006 0.000 0.651 194 V HN 0.486 nan 8.190 nan 0.000 0.450 195 K N 0.105 120.508 120.400 0.006 0.000 2.097 195 K HA -0.104 4.216 4.320 0.001 0.000 0.206 195 K C 2.272 178.877 176.600 0.008 0.000 1.049 195 K CA 1.404 57.695 56.287 0.007 0.000 0.933 195 K CB -0.397 32.106 32.500 0.005 0.000 0.717 195 K HN 0.485 nan 8.250 nan 0.000 0.442 196 A N 1.278 124.102 122.820 0.007 0.000 1.930 196 A HA -0.107 4.213 4.320 0.001 0.000 0.217 196 A C 2.078 179.669 177.584 0.012 0.000 1.175 196 A CA 1.155 53.197 52.037 0.009 0.000 0.627 196 A CB -0.523 18.481 19.000 0.006 0.000 0.815 196 A HN 0.141 nan 8.150 nan 0.000 0.443 197 L N -0.439 120.791 121.223 0.012 0.000 2.056 197 L HA -0.165 4.175 4.340 0.001 0.000 0.207 197 L C 2.187 179.068 176.870 0.018 0.000 1.078 197 L CA 1.148 55.997 54.840 0.015 0.000 0.749 197 L CB -0.630 41.437 42.059 0.013 0.000 0.901 197 L HN 0.327 nan 8.230 nan 0.000 0.433 198 N N -0.396 118.314 118.700 0.016 0.000 2.244 198 N HA -0.117 4.623 4.740 0.001 0.000 0.183 198 N C 1.878 177.399 175.510 0.017 0.000 1.016 198 N CA 1.246 54.306 53.050 0.017 0.000 0.866 198 N CB -0.103 38.392 38.487 0.014 0.000 0.980 198 N HN 0.167 nan 8.380 nan 0.000 0.430 199 S N 0.069 115.778 115.700 0.016 0.000 2.528 199 S HA 0.236 4.706 4.470 0.001 0.000 0.219 199 S C 0.851 175.462 174.600 0.019 0.000 0.985 199 S CA -0.267 57.943 58.200 0.016 0.000 0.914 199 S CB 0.106 63.314 63.200 0.013 0.000 0.776 199 S HN 0.416 nan 8.310 nan 0.000 0.526 200 A N 1.945 124.779 122.820 0.024 0.000 2.498 200 A HA 0.321 4.642 4.320 0.001 0.000 0.239 200 A C 1.326 178.931 177.584 0.034 0.000 1.068 200 A CA 0.138 52.194 52.037 0.031 0.000 0.766 200 A CB 0.192 19.214 19.000 0.038 0.000 1.003 200 A HN 0.406 nan 8.150 nan 0.000 0.497 201 S N 0.683 116.404 115.700 0.035 0.000 2.486 201 S HA 0.064 4.535 4.470 0.001 0.000 0.220 201 S C 0.590 175.217 174.600 0.046 0.000 1.011 201 S CA 0.667 58.887 58.200 0.032 0.000 0.921 201 S CB -0.069 63.143 63.200 0.020 0.000 0.785 201 S HN 0.776 nan 8.310 nan 0.000 0.517 202 N N 1.957 120.700 118.700 0.073 0.000 2.666 202 N HA 0.350 5.090 4.740 0.001 0.000 0.253 202 N C -3.283 172.376 175.510 0.249 0.000 1.621 202 N CA -1.572 51.554 53.050 0.127 0.000 0.785 202 N CB 1.294 39.812 38.487 0.052 0.000 1.332 202 N HN 0.130 nan 8.380 nan 0.000 0.514 203 P HA 0.343 nan 4.420 nan 0.000 0.272 203 P C -0.948 176.365 177.300 0.021 0.000 1.223 203 P CA -0.295 62.862 63.100 0.095 0.000 0.784 203 P CB 1.488 33.216 31.700 0.046 0.000 0.923 204 A N 2.477 125.212 122.820 -0.142 0.000 2.454 204 A HA 0.777 5.097 4.320 0.001 0.000 0.302 204 A C -0.726 176.781 177.584 -0.128 0.000 1.079 204 A CA -0.863 50.999 52.037 -0.292 0.000 0.731 204 A CB 1.103 19.675 19.000 -0.714 0.000 1.299 204 A HN 0.449 nan 8.150 nan 0.000 0.413 205 I N 1.068 121.579 120.570 -0.098 0.000 2.509 205 I HA 0.511 4.681 4.170 0.001 0.000 0.293 205 I C -0.989 175.102 176.117 -0.044 0.000 1.020 205 I CA -0.945 60.313 61.300 -0.070 0.000 1.088 205 I CB 2.173 40.115 38.000 -0.096 0.000 1.267 205 I HN 0.309 nan 8.210 nan 0.000 0.430 206 V N 6.925 126.831 119.914 -0.013 0.000 2.487 206 V HA 0.508 4.629 4.120 0.001 0.000 0.298 206 V C -0.286 175.818 176.094 0.017 0.000 1.028 206 V CA -0.529 61.778 62.300 0.012 0.000 0.860 206 V CB 1.982 33.837 31.823 0.053 0.000 0.991 206 V HN 0.461 nan 8.190 nan 0.000 0.427 207 L N 3.855 125.080 121.223 0.003 0.000 2.346 207 L HA 0.902 5.243 4.340 0.001 0.000 0.274 207 L C 0.640 177.539 176.870 0.048 0.000 1.007 207 L CA -0.299 54.560 54.840 0.032 0.000 0.818 207 L CB 2.060 44.145 42.059 0.044 0.000 1.284 207 L HN 0.770 nan 8.230 nan 0.000 0.424 208 G N 0.948 109.786 108.800 0.063 0.000 3.075 208 G HA2 0.536 4.497 3.960 0.001 0.000 0.253 208 G HA3 0.536 4.497 3.960 0.001 0.000 0.253 208 G C -2.232 172.723 174.900 0.091 0.000 1.353 208 G CA -0.816 44.327 45.100 0.071 0.000 1.051 208 G HN 0.401 nan 8.290 nan 0.000 0.553 209 P HA 0.004 nan 4.420 nan 0.000 0.223 209 P C 0.494 177.859 177.300 0.109 0.000 1.151 209 P CA 0.852 64.020 63.100 0.114 0.000 0.787 209 P CB 0.346 32.112 31.700 0.110 0.000 0.788 210 D N -0.259 120.205 120.400 0.106 0.000 2.312 210 D HA -0.055 4.585 4.640 0.001 0.000 0.211 210 D C 1.998 178.338 176.300 0.066 0.000 0.964 210 D CA 0.542 54.599 54.000 0.094 0.000 0.877 210 D CB -0.215 40.636 40.800 0.085 0.000 0.924 210 D HN 0.054 nan 8.370 nan 0.000 0.515 211 V N 1.142 121.099 119.914 0.070 0.000 2.270 211 V HA -0.240 3.880 4.120 0.001 0.000 0.245 211 V C 2.210 178.343 176.094 0.066 0.000 1.043 211 V CA 1.878 64.218 62.300 0.066 0.000 1.014 211 V CB -0.358 31.515 31.823 0.083 0.000 0.645 211 V HN 0.070 nan 8.190 nan 0.000 0.447 212 D N 0.007 120.454 120.400 0.078 0.000 2.144 212 D HA -0.118 4.522 4.640 0.001 0.000 0.199 212 D C 2.099 178.441 176.300 0.071 0.000 0.984 212 D CA 1.372 55.412 54.000 0.066 0.000 0.834 212 D CB -0.147 40.689 40.800 0.059 0.000 0.955 212 D HN 0.363 nan 8.370 nan 0.000 0.465 213 A N 0.283 123.154 122.820 0.084 0.000 1.933 213 A HA 0.021 4.341 4.320 0.001 0.000 0.218 213 A C 2.240 179.855 177.584 0.053 0.000 1.175 213 A CA 1.952 54.039 52.037 0.083 0.000 0.628 213 A CB -0.788 18.265 19.000 0.089 0.000 0.814 213 A HN 0.305 nan 8.150 nan 0.000 0.444 214 A N -1.502 121.343 122.820 0.042 0.000 2.208 214 A HA 0.191 4.511 4.320 0.001 0.000 0.209 214 A C 1.005 178.604 177.584 0.024 0.000 1.161 214 A CA 0.805 52.858 52.037 0.026 0.000 0.782 214 A CB -0.436 18.576 19.000 0.019 0.000 0.816 214 A HN 0.578 nan 8.150 nan 0.000 0.477 215 N N -2.103 116.614 118.700 0.029 0.000 2.740 215 N HA -0.220 4.520 4.740 0.001 0.000 0.248 215 N C 0.531 176.049 175.510 0.014 0.000 1.062 215 N CA 0.938 54.000 53.050 0.019 0.000 0.704 215 N CB -1.397 37.097 38.487 0.012 0.000 0.968 215 N HN 0.598 nan 8.380 nan 0.000 0.547 216 A N -0.836 121.998 122.820 0.024 0.000 2.307 216 A HA 0.145 4.465 4.320 0.001 0.000 0.218 216 A C 1.704 179.305 177.584 0.028 0.000 1.228 216 A CA 0.570 52.622 52.037 0.024 0.000 0.857 216 A CB -0.022 18.997 19.000 0.031 0.000 0.897 216 A HN 0.480 nan 8.150 nan 0.000 0.495 217 N N 1.723 120.434 118.700 0.019 0.000 2.043 217 N HA -0.170 4.570 4.740 0.001 0.000 0.193 217 N C 1.802 177.280 175.510 -0.053 0.000 1.037 217 N CA 1.911 54.964 53.050 0.005 0.000 0.851 217 N CB -0.480 37.991 38.487 -0.027 0.000 1.027 217 N HN 0.446 nan 8.380 nan 0.000 0.422 218 A N 0.883 123.665 122.820 -0.063 0.000 1.933 218 A HA -0.138 4.182 4.320 0.001 0.000 0.218 218 A C 1.653 179.209 177.584 -0.047 0.000 1.175 218 A CA 1.580 53.567 52.037 -0.082 0.000 0.628 218 A CB -0.447 18.518 19.000 -0.058 0.000 0.814 218 A HN 0.138 nan 8.150 nan 0.000 0.444 219 D N -0.422 119.970 120.400 -0.013 0.000 2.144 219 D HA -0.115 4.526 4.640 0.001 0.000 0.199 219 D C 1.984 178.302 176.300 0.031 0.000 0.984 219 D CA 1.341 55.346 54.000 0.008 0.000 0.834 219 D CB -0.538 40.270 40.800 0.014 0.000 0.955 219 D HN 0.447 nan 8.370 nan 0.000 0.465 220 C N 0.285 119.621 119.300 0.060 0.000 2.435 220 C HA -0.044 4.416 4.460 0.001 0.000 0.279 220 C C 2.921 178.039 174.990 0.214 0.000 1.321 220 C CA 0.008 59.110 59.018 0.140 0.000 1.752 220 C CB -0.741 27.124 27.740 0.208 0.000 1.959 220 C HN 0.162 nan 8.230 nan 0.000 0.500 221 V N 0.981 120.922 119.914 0.046 0.000 2.287 221 V HA -0.333 3.788 4.120 0.001 0.000 0.248 221 V C 2.446 178.536 176.094 -0.007 0.000 1.053 221 V CA 2.460 64.673 62.300 -0.146 0.000 1.027 221 V CB -0.664 30.897 31.823 -0.436 0.000 0.646 221 V HN 0.630 nan 8.190 nan 0.000 0.447 222 M N -0.630 118.973 119.600 0.005 0.000 2.117 222 M HA -0.187 4.294 4.480 0.001 0.000 0.262 222 M C 2.100 178.431 176.300 0.051 0.000 1.065 222 M CA 1.983 57.302 55.300 0.031 0.000 1.114 222 M CB -0.197 32.414 32.600 0.018 0.000 1.361 222 M HN 0.362 nan 8.290 nan 0.000 0.408 223 L N 0.970 122.227 121.223 0.056 0.000 2.012 223 L HA -0.087 4.253 4.340 0.001 0.000 0.210 223 L C 2.491 179.399 176.870 0.065 0.000 1.073 223 L CA 2.350 57.222 54.840 0.054 0.000 0.748 223 L CB -1.092 40.997 42.059 0.050 0.000 0.891 223 L HN 0.355 nan 8.230 nan 0.000 0.431 224 A N -0.968 121.909 122.820 0.095 0.000 1.933 224 A HA -0.218 4.102 4.320 0.001 0.000 0.218 224 A C 2.163 179.816 177.584 0.116 0.000 1.175 224 A CA 1.788 53.883 52.037 0.096 0.000 0.628 224 A CB -0.611 18.475 19.000 0.143 0.000 0.814 224 A HN 0.626 nan 8.150 nan 0.000 0.444 225 E N -0.654 119.626 120.200 0.133 0.000 2.072 225 E HA -0.153 4.198 4.350 0.001 0.000 0.191 225 E C 2.375 179.027 176.600 0.087 0.000 0.985 225 E CA 0.813 57.295 56.400 0.137 0.000 0.801 225 E CB -0.144 29.641 29.700 0.143 0.000 0.750 225 E HN 0.388 nan 8.360 nan 0.000 0.452 226 R N 0.489 121.029 120.500 0.067 0.000 2.073 226 R HA -0.088 4.253 4.340 0.001 0.000 0.234 226 R C 2.343 178.670 176.300 0.046 0.000 1.134 226 R CA 0.955 57.084 56.100 0.048 0.000 0.952 226 R CB -0.489 29.834 30.300 0.039 0.000 0.850 226 R HN 0.258 nan 8.270 nan 0.000 0.433 227 L N 1.136 122.387 121.223 0.047 0.000 2.552 227 L HA 0.004 4.344 4.340 0.001 0.000 0.227 227 L C 0.198 177.097 176.870 0.048 0.000 1.146 227 L CA 0.261 55.126 54.840 0.041 0.000 0.858 227 L CB -0.111 41.968 42.059 0.034 0.000 0.969 227 L HN 0.074 nan 8.230 nan 0.000 0.451 228 K N -0.213 120.222 120.400 0.059 0.000 3.150 228 K HA -0.171 4.149 4.320 0.001 0.000 0.267 228 K C -0.076 176.560 176.600 0.060 0.000 1.028 228 K CA 0.871 57.196 56.287 0.063 0.000 0.753 228 K CB -1.961 30.570 32.500 0.052 0.000 1.288 228 K HN 0.336 nan 8.250 nan 0.000 0.473 229 A N 1.070 123.921 122.820 0.051 0.000 2.330 229 A HA 0.680 5.000 4.320 0.001 0.000 0.327 229 A C -2.174 175.399 177.584 -0.017 0.000 1.155 229 A CA -1.516 50.534 52.037 0.022 0.000 0.803 229 A CB 1.132 20.130 19.000 -0.003 0.000 1.208 229 A HN -0.032 nan 8.150 nan 0.000 0.477 230 P HA 0.278 nan 4.420 nan 0.000 0.271 230 P C -0.715 176.441 177.300 -0.240 0.000 1.218 230 P CA 0.034 63.047 63.100 -0.144 0.000 0.780 230 P CB 0.944 32.589 31.700 -0.091 0.000 0.901 231 V N 3.047 122.697 119.914 -0.440 0.000 2.483 231 V HA 0.331 4.451 4.120 0.001 0.000 0.297 231 V C -0.541 175.135 176.094 -0.697 0.000 1.027 231 V CA -0.299 61.682 62.300 -0.532 0.000 0.855 231 V CB 1.123 32.380 31.823 -0.945 0.000 0.995 231 V HN 0.575 nan 8.190 nan 0.000 0.424 232 W N 2.797 123.827 121.300 -0.450 0.000 2.647 232 W HA 0.736 5.395 4.660 -0.001 0.000 0.353 232 W C -0.408 175.887 176.519 -0.373 0.000 1.080 232 W CA -0.814 56.240 57.345 -0.485 0.000 1.208 232 W CB 1.681 30.896 29.460 -0.409 0.000 1.396 232 W HN 0.295 nan 8.180 nan 0.000 0.573 233 V N 2.931 122.751 119.914 -0.157 0.000 2.439 233 V HA 0.568 4.688 4.120 0.001 0.000 0.282 233 V C 0.549 176.523 176.094 -0.200 0.000 1.039 233 V CA -1.261 60.937 62.300 -0.170 0.000 0.913 233 V CB 0.389 32.006 31.823 -0.343 0.000 0.983 233 V HN 0.669 nan 8.190 nan 0.000 0.460 234 A N 8.232 130.979 122.820 -0.123 0.000 2.466 234 A HA 0.463 4.784 4.320 0.001 0.000 0.238 234 A C -1.876 175.598 177.584 -0.184 0.000 1.074 234 A CA -0.782 51.174 52.037 -0.136 0.000 0.774 234 A CB -0.334 18.683 19.000 0.027 0.000 1.015 234 A HN 0.696 nan 8.150 nan 0.000 0.498 235 P HA 0.125 nan 4.420 nan 0.000 0.272 235 P C -0.059 177.183 177.300 -0.098 0.000 1.230 235 P CA 0.396 63.380 63.100 -0.193 0.000 0.788 235 P CB 0.587 32.174 31.700 -0.187 0.000 0.949 236 S N -2.121 113.526 115.700 -0.088 0.000 3.698 236 S HA -0.163 4.307 4.470 0.001 0.000 0.338 236 S C 0.589 175.226 174.600 0.063 0.000 1.089 236 S CA 0.698 58.893 58.200 -0.009 0.000 0.991 236 S CB -2.224 61.011 63.200 0.057 0.000 0.909 236 S HN 0.944 nan 8.310 nan 0.000 0.485 237 A N 0.892 123.718 122.820 0.011 0.000 2.522 237 A HA 0.437 4.757 4.320 0.001 0.000 0.256 237 A C -0.600 177.228 177.584 0.407 0.000 1.086 237 A CA -0.774 51.359 52.037 0.160 0.000 0.763 237 A CB 0.134 19.196 19.000 0.104 0.000 1.024 237 A HN 0.269 nan 8.150 nan 0.000 0.502 238 P HA 0.034 nan 4.420 nan 0.000 0.231 238 P C 0.215 177.732 177.300 0.363 0.000 1.168 238 P CA 0.944 64.257 63.100 0.354 0.000 0.779 238 P CB 0.314 32.106 31.700 0.154 0.000 0.844 239 R N -2.658 118.064 120.500 0.369 0.000 2.781 239 R HA 0.549 4.889 4.340 0.001 0.000 0.269 239 R C -1.413 175.103 176.300 0.360 0.000 1.025 239 R CA -0.805 55.444 56.100 0.247 0.000 0.914 239 R CB 1.213 31.560 30.300 0.077 0.000 1.236 239 R HN -0.142 nan 8.270 nan 0.000 0.465 240 C N 2.937 122.367 119.300 0.216 0.000 2.264 240 C HA 0.520 4.981 4.460 0.001 0.000 0.324 240 C C -1.688 173.396 174.990 0.158 0.000 1.267 240 C CA -1.944 57.220 59.018 0.243 0.000 1.618 240 C CB 0.692 28.430 27.740 -0.003 0.000 2.278 240 C HN 0.629 nan 8.230 nan 0.000 0.499 241 P HA 0.215 nan 4.420 nan 0.000 0.268 241 P C -0.304 177.145 177.300 0.248 0.000 1.329 241 P CA 0.284 63.492 63.100 0.181 0.000 0.899 241 P CB 0.104 31.910 31.700 0.178 0.000 1.378 242 F N 1.149 121.087 119.950 -0.020 0.000 2.678 242 F HA 0.469 4.996 4.527 -0.001 0.000 0.308 242 F C -2.705 172.946 175.800 -0.248 0.000 1.118 242 F CA -2.364 55.578 58.000 -0.097 0.000 0.959 242 F CB 1.845 40.845 39.000 0.001 0.000 1.305 242 F HN -0.362 nan 8.300 nan 0.000 0.443 243 P HA 0.120 nan 4.420 nan 0.000 0.267 243 P C 0.372 177.459 177.300 -0.357 0.000 1.209 243 P CA 0.135 63.040 63.100 -0.324 0.000 0.763 243 P CB 0.610 32.130 31.700 -0.299 0.000 0.816 244 T N 0.242 114.517 114.554 -0.464 0.000 3.160 244 T HA 0.045 4.395 4.350 0.001 0.000 0.257 244 T C 1.044 175.626 174.700 -0.197 0.000 1.147 244 T CA 0.487 62.139 62.100 -0.747 0.000 1.064 244 T CB -0.255 68.329 68.868 -0.474 0.000 0.949 244 T HN 0.178 nan 8.240 nan 0.000 0.526 245 R N 0.402 120.860 120.500 -0.071 0.000 2.543 245 R HA 0.220 4.560 4.340 0.001 0.000 0.323 245 R C 0.191 176.532 176.300 0.068 0.000 1.002 245 R CA -0.371 55.745 56.100 0.028 0.000 1.106 245 R CB -0.332 29.963 30.300 -0.008 0.000 1.280 245 R HN 0.579 nan 8.270 nan 0.000 0.549 246 H N 2.374 121.456 119.070 0.020 0.000 2.815 246 H HA 0.048 4.605 4.556 0.001 0.000 0.350 246 H C -1.525 173.892 175.328 0.148 0.000 1.080 246 H CA -1.067 55.020 56.048 0.065 0.000 1.433 246 H CB 1.704 31.494 29.762 0.048 0.000 1.432 246 H HN -0.185 nan 8.280 nan 0.000 0.592 247 P HA -0.119 nan 4.420 nan 0.000 0.218 247 P C 1.383 178.769 177.300 0.144 0.000 1.148 247 P CA 1.103 64.194 63.100 -0.016 0.000 0.822 247 P CB 0.024 31.648 31.700 -0.128 0.000 0.784 248 C N -2.708 116.823 119.300 0.385 0.000 2.456 248 C HA 0.087 4.547 4.460 0.001 0.000 0.279 248 C C 1.291 176.330 174.990 0.081 0.000 1.427 248 C CA -0.580 58.581 59.018 0.239 0.000 1.778 248 C CB -2.028 25.894 27.740 0.302 0.000 1.842 248 C HN 0.107 nan 8.230 nan 0.000 0.531 249 F N 1.960 121.957 119.950 0.079 0.000 2.538 249 F HA 0.224 4.751 4.527 -0.000 0.000 0.371 249 F C 1.278 176.878 175.800 -0.335 0.000 1.087 249 F CA 0.231 58.150 58.000 -0.134 0.000 1.250 249 F CB 0.453 39.517 39.000 0.106 0.000 1.110 249 F HN -0.033 nan 8.300 nan 0.000 0.570 250 R N 3.625 123.298 120.500 -1.379 0.000 2.509 250 R HA 0.334 4.674 4.340 0.001 0.000 0.297 250 R C 0.550 175.872 176.300 -1.630 0.000 0.951 250 R CA 0.357 55.539 56.100 -1.530 0.000 1.103 250 R CB 0.089 29.046 30.300 -2.239 0.000 1.283 250 R HN 0.974 nan 8.270 nan 0.000 0.534 251 G N 1.267 108.914 108.800 -1.923 0.000 2.582 251 G HA2 -0.242 3.718 3.960 0.001 0.000 0.222 251 G HA3 -0.242 3.718 3.960 0.001 0.000 0.222 251 G C -1.195 173.314 174.900 -0.652 0.000 1.311 251 G CA -0.594 43.895 45.100 -1.018 0.000 0.915 251 G HN 0.133 nan 8.290 nan 0.000 0.528 252 L N 0.830 121.736 121.223 -0.528 0.000 2.319 252 L HA 0.706 5.047 4.340 0.001 0.000 0.280 252 L C 1.092 177.813 176.870 -0.248 0.000 1.099 252 L CA -0.120 54.352 54.840 -0.614 0.000 0.828 252 L CB 0.546 42.018 42.059 -0.979 0.000 1.150 252 L HN 0.606 nan 8.230 nan 0.000 0.442 253 M N 7.565 127.023 119.600 -0.235 0.000 2.238 253 M HA 0.275 4.755 4.480 0.001 0.000 0.347 253 M C -1.951 174.187 176.300 -0.270 0.000 1.173 253 M CA -1.510 53.617 55.300 -0.289 0.000 1.147 253 M CB 0.403 32.727 32.600 -0.460 0.000 1.547 253 M HN 0.488 nan 8.290 nan 0.000 0.455 254 P HA 0.098 nan 4.420 nan 0.000 0.271 254 P C -0.935 176.288 177.300 -0.129 0.000 1.216 254 P CA -0.232 62.769 63.100 -0.165 0.000 0.776 254 P CB 0.515 32.131 31.700 -0.139 0.000 0.881 255 A N 2.679 125.467 122.820 -0.052 0.000 3.135 255 A HA 0.523 4.843 4.320 0.001 0.000 0.253 255 A C 0.768 178.464 177.584 0.186 0.000 1.638 255 A CA -0.070 52.005 52.037 0.063 0.000 1.295 255 A CB -1.194 17.871 19.000 0.108 0.000 1.106 255 A HN 0.635 nan 8.150 nan 0.000 0.648 256 G N -0.719 108.175 108.800 0.158 0.000 2.638 256 G HA2 0.487 4.447 3.960 0.001 0.000 0.302 256 G HA3 0.487 4.447 3.960 0.001 0.000 0.302 256 G C 0.574 175.464 174.900 -0.017 0.000 1.365 256 G CA -0.634 44.495 45.100 0.049 0.000 0.987 256 G HN 0.160 nan 8.290 nan 0.000 0.495 257 I N 1.499 121.840 120.570 -0.382 0.000 2.099 257 I HA -0.249 3.922 4.170 0.001 0.000 0.239 257 I C 3.082 179.088 176.117 -0.185 0.000 1.066 257 I CA 1.970 63.005 61.300 -0.441 0.000 1.324 257 I CB -0.098 37.516 38.000 -0.643 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.511 123.199 122.820 -0.220 0.000 1.902 258 A HA -0.142 4.178 4.320 0.001 0.000 0.217 258 A C 2.507 180.016 177.584 -0.125 0.000 1.181 258 A CA 1.810 53.748 52.037 -0.165 0.000 0.623 258 A CB -0.888 18.006 19.000 -0.175 0.000 0.818 258 A HN 0.464 nan 8.150 nan 0.000 0.443 259 A N -0.237 122.510 122.820 -0.122 0.000 1.933 259 A HA -0.067 4.254 4.320 0.001 0.000 0.218 259 A C 2.114 179.594 177.584 -0.172 0.000 1.175 259 A CA 1.534 53.493 52.037 -0.129 0.000 0.628 259 A CB -0.524 18.406 19.000 -0.117 0.000 0.814 259 A HN 0.507 nan 8.150 nan 0.000 0.444 260 I N 0.344 120.823 120.570 -0.152 0.000 2.286 260 I HA -0.201 3.970 4.170 0.001 0.000 0.245 260 I C 2.872 178.889 176.117 -0.167 0.000 1.104 260 I CA 1.415 62.574 61.300 -0.235 0.000 1.397 260 I CB -0.215 37.640 38.000 -0.242 0.000 1.072 260 I HN 0.506 nan 8.210 nan 0.000 0.417 261 S N 0.292 115.952 115.700 -0.065 0.000 2.399 261 S HA -0.271 4.199 4.470 0.001 0.000 0.231 261 S C 1.936 176.493 174.600 -0.072 0.000 1.022 261 S CA 1.199 59.378 58.200 -0.036 0.000 0.983 261 S CB -0.405 62.793 63.200 -0.003 0.000 0.803 261 S HN 0.359 nan 8.310 nan 0.000 0.480 262 Q N 1.567 121.309 119.800 -0.098 0.000 2.079 262 Q HA 0.071 4.411 4.340 0.001 0.000 0.200 262 Q C 2.069 178.000 176.000 -0.115 0.000 0.974 262 Q CA 1.692 57.438 55.803 -0.094 0.000 0.840 262 Q CB -0.780 27.902 28.738 -0.093 0.000 0.898 262 Q HN 0.678 nan 8.270 nan 0.000 0.430 263 L N -0.619 120.487 121.223 -0.194 0.000 2.083 263 L HA -0.093 4.248 4.340 0.001 0.000 0.209 263 L C 1.592 178.361 176.870 -0.169 0.000 1.083 263 L CA 1.191 55.868 54.840 -0.272 0.000 0.752 263 L CB -0.033 41.673 42.059 -0.589 0.000 0.899 263 L HN 0.314 nan 8.230 nan 0.000 0.433 264 L N -0.544 120.599 121.223 -0.133 0.000 2.558 264 L HA 0.067 4.407 4.340 0.001 0.000 0.225 264 L C 0.945 177.861 176.870 0.077 0.000 1.128 264 L CA -0.249 54.606 54.840 0.025 0.000 0.868 264 L CB -0.318 41.720 42.059 -0.035 0.000 1.006 264 L HN 0.259 nan 8.230 nan 0.000 0.454 265 E N 0.661 120.856 120.200 -0.008 0.000 2.465 265 E HA 0.094 4.444 4.350 0.001 0.000 0.260 265 E C 1.179 177.730 176.600 -0.081 0.000 0.980 265 E CA 0.875 57.257 56.400 -0.030 0.000 0.927 265 E CB 0.367 30.041 29.700 -0.045 0.000 0.934 265 E HN 0.313 nan 8.360 nan 0.000 0.459 266 G N 4.087 112.841 108.800 -0.076 0.000 2.217 266 G HA2 -0.242 3.719 3.960 0.001 0.000 0.246 266 G HA3 -0.242 3.719 3.960 0.001 0.000 0.246 266 G C -0.055 174.735 174.900 -0.183 0.000 0.990 266 G CA 0.137 45.154 45.100 -0.138 0.000 0.627 266 G HN 0.717 nan 8.290 nan 0.000 0.522 267 H N 1.863 120.932 119.070 -0.002 0.000 2.668 267 H HA 0.266 4.823 4.556 0.001 0.000 0.303 267 H C 1.249 176.580 175.328 0.006 0.000 1.074 267 H CA 0.491 56.543 56.048 0.006 0.000 1.406 267 H CB 1.397 31.163 29.762 0.007 0.000 1.442 267 H HN 0.504 nan 8.280 nan 0.000 0.482 268 D N 2.329 122.799 120.400 0.116 0.000 2.213 268 D HA -0.056 4.584 4.640 0.001 0.000 0.205 268 D C 0.445 176.783 176.300 0.064 0.000 0.961 268 D CA 0.423 54.463 54.000 0.067 0.000 0.853 268 D CB 0.443 41.269 40.800 0.043 0.000 0.967 268 D HN 0.108 nan 8.370 nan 0.000 0.496 269 V N 1.071 121.029 119.914 0.074 0.000 2.577 269 V HA 0.348 4.468 4.120 0.001 0.000 0.303 269 V C -0.580 175.536 176.094 0.037 0.000 1.042 269 V CA -0.986 61.342 62.300 0.046 0.000 0.872 269 V CB 2.576 34.419 31.823 0.033 0.000 0.998 269 V HN -0.083 nan 8.190 nan 0.000 0.423 270 V N 5.936 125.864 119.914 0.024 0.000 2.378 270 V HA 0.456 4.576 4.120 0.001 0.000 0.288 270 V C -0.470 175.627 176.094 0.004 0.000 1.016 270 V CA -0.557 61.743 62.300 0.001 0.000 0.840 270 V CB 1.656 33.489 31.823 0.017 0.000 0.994 270 V HN 0.671 nan 8.190 nan 0.000 0.431 271 L N 7.412 128.631 121.223 -0.006 0.000 2.262 271 L HA 0.609 4.949 4.340 0.001 0.000 0.288 271 L C -0.327 176.545 176.870 0.004 0.000 1.035 271 L CA 0.211 55.049 54.840 -0.004 0.000 0.820 271 L CB 1.400 43.456 42.059 -0.006 0.000 1.204 271 L HN 0.450 nan 8.230 nan 0.000 0.424 272 V N 6.849 126.767 119.914 0.006 0.000 2.407 272 V HA 0.475 4.596 4.120 0.001 0.000 0.278 272 V C 0.173 176.268 176.094 0.002 0.000 1.037 272 V CA -0.373 61.940 62.300 0.022 0.000 0.900 272 V CB 1.277 33.106 31.823 0.011 0.000 0.983 272 V HN 0.593 nan 8.190 nan 0.000 0.459 273 I N 3.425 124.004 120.570 0.015 0.000 2.447 273 I HA 0.623 4.793 4.170 0.001 0.000 0.287 273 I C 0.931 177.063 176.117 0.024 0.000 1.023 273 I CA -0.482 60.826 61.300 0.013 0.000 1.083 273 I CB 1.770 39.781 38.000 0.018 0.000 1.245 273 I HN 0.824 nan 8.210 nan 0.000 0.434 274 G N 4.308 113.118 108.800 0.017 0.000 2.176 274 G HA2 -0.044 3.916 3.960 0.001 0.000 0.252 274 G HA3 -0.044 3.916 3.960 0.001 0.000 0.252 274 G C -0.062 174.868 174.900 0.050 0.000 1.024 274 G CA 0.199 45.319 45.100 0.034 0.000 0.755 274 G HN 1.056 nan 8.290 nan 0.000 0.507 275 A N -0.704 122.135 122.820 0.032 0.000 2.498 275 A HA 0.955 5.276 4.320 0.001 0.000 0.298 275 A C -2.683 174.892 177.584 -0.015 0.000 1.075 275 A CA -1.400 50.657 52.037 0.033 0.000 0.714 275 A CB 1.824 20.864 19.000 0.067 0.000 1.299 275 A HN 0.093 nan 8.150 nan 0.000 0.407 276 P HA 0.338 nan 4.420 nan 0.000 0.272 276 P C -0.749 176.420 177.300 -0.219 0.000 1.230 276 P CA -0.181 62.865 63.100 -0.091 0.000 0.788 276 P CB 0.650 32.315 31.700 -0.058 0.000 0.949 277 V N 2.987 122.663 119.914 -0.398 0.000 2.275 277 V HA 0.358 4.478 4.120 0.001 0.000 0.272 277 V C -0.484 175.255 176.094 -0.592 0.000 1.028 277 V CA -0.020 61.725 62.300 -0.926 0.000 0.810 277 V CB -0.771 30.540 31.823 -0.852 0.000 1.043 277 V HN 0.367 nan 8.190 nan 0.000 0.453 278 F N 2.360 122.056 119.950 -0.424 0.000 2.579 278 F HA 0.619 5.146 4.527 0.000 0.000 0.324 278 F C 0.619 176.079 175.800 -0.567 0.000 1.058 278 F CA -1.393 56.245 58.000 -0.604 0.000 0.944 278 F CB 1.680 40.126 39.000 -0.924 0.000 1.245 278 F HN 0.195 nan 8.300 nan 0.000 0.477 279 R N 1.689 122.119 120.500 -0.117 0.000 4.154 279 R HA 0.201 4.541 4.340 0.001 0.000 0.186 279 R C -1.226 175.071 176.300 -0.006 0.000 1.750 279 R CA -0.096 55.977 56.100 -0.045 0.000 1.431 279 R CB -1.355 28.942 30.300 -0.005 0.000 1.383 279 R HN 0.358 nan 8.270 nan 0.000 0.788 280 Y N -0.237 120.150 120.300 0.145 0.000 2.394 280 Y HA 0.028 4.579 4.550 0.001 0.000 0.351 280 Y C 1.787 177.791 175.900 0.172 0.000 1.272 280 Y CA 0.729 58.910 58.100 0.136 0.000 1.508 280 Y CB 0.404 38.954 38.460 0.151 0.000 1.369 280 Y HN 0.481 nan 8.280 nan 0.000 0.639 281 H N -1.319 117.879 119.070 0.214 0.000 2.356 281 H HA 0.109 4.666 4.556 0.000 0.000 0.149 281 H C 0.021 175.402 175.328 0.089 0.000 1.057 281 H CA -0.113 56.001 56.048 0.110 0.000 1.093 281 H CB 0.426 30.221 29.762 0.055 0.000 0.960 281 H HN 0.638 nan 8.280 nan 0.000 0.316 282 Q N 1.461 121.292 119.800 0.053 0.000 2.432 282 Q HA -0.103 4.237 4.340 0.001 0.000 0.264 282 Q C -0.840 175.247 176.000 0.146 0.000 1.035 282 Q CA -0.113 55.701 55.803 0.017 0.000 0.908 282 Q CB 0.441 29.170 28.738 -0.015 0.000 1.280 282 Q HN 0.455 nan 8.270 nan 0.000 0.455 283 Y N 2.000 122.320 120.300 0.034 0.000 2.697 283 Y HA 0.082 4.633 4.550 0.000 0.000 0.349 283 Y C -0.722 175.173 175.900 -0.009 0.000 1.120 283 Y CA -0.167 57.944 58.100 0.019 0.000 1.468 283 Y CB 0.187 38.675 38.460 0.046 0.000 1.182 283 Y HN 0.743 nan 8.280 nan 0.000 0.525 284 D N 8.632 128.763 120.400 -0.449 0.000 2.846 284 D HA 0.233 4.873 4.640 0.001 0.000 0.279 284 D C -3.071 172.913 176.300 -0.527 0.000 1.222 284 D CA -1.778 51.992 54.000 -0.383 0.000 0.769 284 D CB 0.853 41.534 40.800 -0.198 0.000 1.299 284 D HN 0.225 nan 8.370 nan 0.000 0.537 285 P HA 0.483 nan 4.420 nan 0.000 0.272 285 P C 0.427 177.499 177.300 -0.378 0.000 1.223 285 P CA 0.263 62.988 63.100 -0.624 0.000 0.784 285 P CB 1.808 33.117 31.700 -0.652 0.000 0.923 286 G N 1.314 109.901 108.800 -0.355 0.000 2.404 286 G HA2 0.071 4.031 3.960 0.001 0.000 0.253 286 G HA3 0.071 4.031 3.960 0.001 0.000 0.253 286 G C -1.568 173.142 174.900 -0.316 0.000 1.253 286 G CA -0.673 44.265 45.100 -0.271 0.000 0.917 286 G HN 0.462 nan 8.290 nan 0.000 0.480 287 Q N -0.271 119.396 119.800 -0.221 0.000 2.288 287 Q HA 0.421 4.761 4.340 0.001 0.000 0.254 287 Q C 0.302 176.214 176.000 -0.146 0.000 0.932 287 Q CA -0.487 55.209 55.803 -0.178 0.000 0.902 287 Q CB 1.212 29.904 28.738 -0.076 0.000 1.203 287 Q HN 0.507 nan 8.270 nan 0.000 0.415 288 Y N 1.315 121.612 120.300 -0.005 0.000 2.242 288 Y HA -0.059 4.492 4.550 0.001 0.000 0.291 288 Y C 0.505 176.449 175.900 0.074 0.000 1.137 288 Y CA 0.913 59.045 58.100 0.053 0.000 1.181 288 Y CB 0.318 38.820 38.460 0.070 0.000 0.989 288 Y HN 0.398 nan 8.280 nan 0.000 0.527 289 L N -0.564 120.773 121.223 0.190 0.000 2.466 289 L HA 0.360 4.700 4.340 0.001 0.000 0.258 289 L C -0.557 176.347 176.870 0.057 0.000 0.973 289 L CA -1.133 53.776 54.840 0.115 0.000 0.826 289 L CB 2.556 44.681 42.059 0.109 0.000 1.372 289 L HN -0.284 nan 8.230 nan 0.000 0.409 290 K N 1.499 121.918 120.400 0.031 0.000 2.154 290 K HA 0.384 4.704 4.320 0.001 0.000 0.264 290 K C -2.383 174.227 176.600 0.016 0.000 1.008 290 K CA -1.634 54.659 56.287 0.010 0.000 0.937 290 K CB 0.576 33.072 32.500 -0.007 0.000 1.002 290 K HN 0.220 nan 8.250 nan 0.000 0.469 291 P HA -0.077 nan 4.420 nan 0.000 0.264 291 P C 0.497 177.802 177.300 0.008 0.000 1.183 291 P CA 0.942 64.047 63.100 0.009 0.000 0.763 291 P CB 0.417 32.118 31.700 0.001 0.000 0.807 292 G N 1.387 110.195 108.800 0.012 0.000 2.194 292 G HA2 -0.186 3.774 3.960 0.001 0.000 0.236 292 G HA3 -0.186 3.774 3.960 0.001 0.000 0.236 292 G C 0.195 175.109 174.900 0.022 0.000 0.987 292 G CA -0.037 45.070 45.100 0.012 0.000 0.635 292 G HN 0.614 nan 8.290 nan 0.000 0.520 293 T N 1.226 115.798 114.554 0.031 0.000 2.771 293 T HA 0.598 4.948 4.350 0.001 0.000 0.281 293 T C 0.101 174.825 174.700 0.040 0.000 0.982 293 T CA -0.389 61.738 62.100 0.045 0.000 0.978 293 T CB 1.852 70.754 68.868 0.057 0.000 0.930 293 T HN 0.524 nan 8.240 nan 0.000 0.447 294 R N 3.556 124.078 120.500 0.036 0.000 2.460 294 R HA 0.676 5.017 4.340 0.001 0.000 0.303 294 R C -1.251 175.064 176.300 0.024 0.000 0.968 294 R CA -0.746 55.370 56.100 0.025 0.000 0.889 294 R CB 0.850 31.160 30.300 0.018 0.000 1.123 294 R HN 0.569 nan 8.270 nan 0.000 0.455 295 L N 5.678 126.908 121.223 0.011 0.000 2.329 295 L HA 0.576 4.916 4.340 0.001 0.000 0.279 295 L C -1.289 175.567 176.870 -0.024 0.000 1.014 295 L CA -0.673 54.167 54.840 -0.000 0.000 0.814 295 L CB 1.488 43.543 42.059 -0.006 0.000 1.257 295 L HN 0.663 nan 8.230 nan 0.000 0.424 296 I N 3.853 124.408 120.570 -0.025 0.000 2.447 296 I HA 0.331 4.501 4.170 0.001 0.000 0.287 296 I C -0.486 175.604 176.117 -0.046 0.000 1.023 296 I CA -0.323 60.957 61.300 -0.033 0.000 1.083 296 I CB 2.031 40.019 38.000 -0.019 0.000 1.245 296 I HN 0.523 nan 8.210 nan 0.000 0.434 297 S N 5.747 121.408 115.700 -0.066 0.000 2.451 297 S HA 0.673 5.143 4.470 0.001 0.000 0.301 297 S C -0.736 173.831 174.600 -0.055 0.000 1.116 297 S CA -0.485 57.669 58.200 -0.076 0.000 1.093 297 S CB 1.291 64.415 63.200 -0.126 0.000 1.017 297 S HN 0.326 nan 8.310 nan 0.000 0.482 298 V N 4.457 124.346 119.914 -0.041 0.000 2.370 298 V HA 0.655 4.775 4.120 0.001 0.000 0.283 298 V C 0.355 176.429 176.094 -0.035 0.000 1.023 298 V CA -0.501 61.779 62.300 -0.033 0.000 0.857 298 V CB 1.176 32.987 31.823 -0.020 0.000 0.985 298 V HN 0.948 nan 8.190 nan 0.000 0.443 299 T N 3.064 117.593 114.554 -0.042 0.000 2.909 299 T HA 0.239 4.589 4.350 0.001 0.000 0.299 299 T C 0.797 175.460 174.700 -0.062 0.000 1.073 299 T CA -0.113 61.960 62.100 -0.044 0.000 0.999 299 T CB 1.345 70.184 68.868 -0.047 0.000 1.098 299 T HN 0.890 nan 8.240 nan 0.000 0.477 300 C N 1.810 121.057 119.300 -0.089 0.000 2.576 300 C HA 0.437 4.897 4.460 0.001 0.000 0.267 300 C C 0.465 175.350 174.990 -0.175 0.000 1.364 300 C CA -0.402 58.532 59.018 -0.140 0.000 1.723 300 C CB -1.435 26.186 27.740 -0.197 0.000 1.778 300 C HN 0.751 nan 8.230 nan 0.000 0.572 301 D N 0.828 121.150 120.400 -0.131 0.000 2.505 301 D HA 0.360 5.000 4.640 0.001 0.000 0.250 301 D C -1.947 174.326 176.300 -0.045 0.000 1.164 301 D CA -1.919 52.016 54.000 -0.108 0.000 0.870 301 D CB 2.048 42.813 40.800 -0.059 0.000 1.160 301 D HN -0.117 nan 8.370 nan 0.000 0.549 302 P HA -0.093 nan 4.420 nan 0.000 0.216 302 P C 1.708 179.012 177.300 0.007 0.000 1.150 302 P CA 0.863 63.955 63.100 -0.013 0.000 0.843 302 P CB 0.375 32.072 31.700 -0.004 0.000 0.787 303 L N -0.732 120.511 121.223 0.034 0.000 2.131 303 L HA -0.181 4.159 4.340 0.001 0.000 0.210 303 L C 2.361 179.253 176.870 0.038 0.000 1.092 303 L CA 1.513 56.390 54.840 0.063 0.000 0.759 303 L CB -0.805 41.333 42.059 0.132 0.000 0.903 303 L HN 0.061 nan 8.230 nan 0.000 0.435 304 E N 0.160 120.372 120.200 0.021 0.000 2.047 304 E HA -0.192 4.158 4.350 0.001 0.000 0.191 304 E C 2.362 178.935 176.600 -0.047 0.000 0.987 304 E CA 1.089 57.482 56.400 -0.012 0.000 0.799 304 E CB -0.180 29.514 29.700 -0.010 0.000 0.752 304 E HN 0.481 nan 8.360 nan 0.000 0.449 305 A N 1.578 124.372 122.820 -0.043 0.000 1.908 305 A HA -0.181 4.139 4.320 0.001 0.000 0.218 305 A C 2.384 179.937 177.584 -0.052 0.000 1.181 305 A CA 1.876 53.879 52.037 -0.057 0.000 0.627 305 A CB -0.672 18.301 19.000 -0.046 0.000 0.818 305 A HN 0.301 nan 8.150 nan 0.000 0.445 306 A N 0.503 123.305 122.820 -0.029 0.000 1.898 306 A HA -0.140 4.181 4.320 0.001 0.000 0.216 306 A C 2.190 179.755 177.584 -0.032 0.000 1.181 306 A CA 1.624 53.647 52.037 -0.022 0.000 0.620 306 A CB -0.421 18.579 19.000 -0.001 0.000 0.819 306 A HN 0.720 nan 8.150 nan 0.000 0.442 307 R N -0.620 119.861 120.500 -0.031 0.000 2.300 307 R HA 0.456 4.796 4.340 0.001 0.000 0.199 307 R C 0.782 177.034 176.300 -0.080 0.000 0.920 307 R CA 0.556 56.635 56.100 -0.034 0.000 1.046 307 R CB -0.481 29.818 30.300 -0.002 0.000 0.984 307 R HN 0.264 nan 8.270 nan 0.000 0.493 308 A N 2.934 125.683 122.820 -0.119 0.000 2.566 308 A HA 0.146 4.467 4.320 0.001 0.000 0.245 308 A C -1.654 175.799 177.584 -0.219 0.000 1.056 308 A CA -1.029 50.892 52.037 -0.194 0.000 0.757 308 A CB 0.194 19.064 19.000 -0.216 0.000 0.979 308 A HN 0.226 nan 8.150 nan 0.000 0.508 309 P HA 0.054 nan 4.420 nan 0.000 0.245 309 P C -0.097 176.971 177.300 -0.386 0.000 1.212 309 P CA 0.762 63.588 63.100 -0.457 0.000 0.774 309 P CB 0.015 31.067 31.700 -1.080 0.000 0.999 310 M N -3.285 116.141 119.600 -0.289 0.000 2.682 310 M HA 0.650 5.130 4.480 0.001 0.000 0.272 310 M C -0.467 175.751 176.300 -0.136 0.000 1.232 310 M CA -0.452 54.750 55.300 -0.163 0.000 0.849 310 M CB 1.076 33.615 32.600 -0.102 0.000 1.695 310 M HN 0.033 nan 8.290 nan 0.000 0.481 311 G N 1.566 110.318 108.800 -0.081 0.000 2.730 311 G HA2 -0.017 3.944 3.960 0.001 0.000 0.686 311 G HA3 -0.017 3.944 3.960 0.001 0.000 0.686 311 G C -1.527 173.333 174.900 -0.067 0.000 1.343 311 G CA -0.366 44.691 45.100 -0.071 0.000 0.826 311 G HN 0.981 nan 8.290 nan 0.000 0.582 312 D N 0.042 120.411 120.400 -0.052 0.000 2.354 312 D HA 0.748 5.388 4.640 0.001 0.000 0.247 312 D C 0.751 177.016 176.300 -0.058 0.000 1.138 312 D CA 1.065 55.037 54.000 -0.047 0.000 0.958 312 D CB 1.568 42.349 40.800 -0.032 0.000 1.144 312 D HN 1.297 nan 8.370 nan 0.000 0.458 313 A N 0.474 123.263 122.820 -0.052 0.000 2.572 313 A HA 0.728 5.048 4.320 0.001 0.000 0.295 313 A C -1.208 176.351 177.584 -0.041 0.000 1.072 313 A CA -0.610 51.394 52.037 -0.055 0.000 0.691 313 A CB 1.123 20.084 19.000 -0.065 0.000 1.291 313 A HN 0.443 nan 8.150 nan 0.000 0.404 314 I N 1.247 121.793 120.570 -0.040 0.000 2.478 314 I HA 0.378 4.548 4.170 0.001 0.000 0.287 314 I C -0.896 175.199 176.117 -0.037 0.000 1.042 314 I CA -0.810 60.471 61.300 -0.033 0.000 1.067 314 I CB 2.221 40.205 38.000 -0.027 0.000 1.233 314 I HN 0.308 nan 8.210 nan 0.000 0.431 315 V N 5.888 125.781 119.914 -0.036 0.000 2.348 315 V HA 0.852 4.973 4.120 0.001 0.000 0.270 315 V C 0.282 176.351 176.094 -0.040 0.000 1.037 315 V CA -0.094 62.181 62.300 -0.041 0.000 0.872 315 V CB 0.606 32.405 31.823 -0.040 0.000 1.002 315 V HN 0.875 nan 8.190 nan 0.000 0.464 316 A N 3.670 126.464 122.820 -0.044 0.000 2.564 316 A HA 0.529 4.849 4.320 0.001 0.000 0.291 316 A C -0.964 176.593 177.584 -0.045 0.000 1.102 316 A CA -0.686 51.328 52.037 -0.039 0.000 0.660 316 A CB 1.181 20.164 19.000 -0.028 0.000 1.283 316 A HN 0.651 nan 8.150 nan 0.000 0.430 317 D N 0.543 120.920 120.400 -0.038 0.000 2.425 317 D HA 0.136 4.776 4.640 0.001 0.000 0.247 317 D C 0.607 176.891 176.300 -0.025 0.000 1.147 317 D CA -0.408 53.570 54.000 -0.037 0.000 0.879 317 D CB 0.544 41.328 40.800 -0.028 0.000 1.179 317 D HN 0.289 nan 8.370 nan 0.000 0.456 318 I N 4.075 124.631 120.570 -0.024 0.000 2.286 318 I HA -0.114 4.056 4.170 0.001 0.000 0.245 318 I C 2.452 178.569 176.117 0.001 0.000 1.104 318 I CA 0.935 62.229 61.300 -0.009 0.000 1.397 318 I CB -1.560 36.439 38.000 -0.002 0.000 1.072 318 I HN 0.604 nan 8.210 nan 0.000 0.417 319 G N 0.801 109.602 108.800 0.001 0.000 2.446 319 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 319 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 319 G C 1.853 176.756 174.900 0.005 0.000 1.168 319 G CA 1.092 46.196 45.100 0.006 0.000 0.771 319 G HN 0.479 nan 8.290 nan 0.000 0.551 320 A N 0.243 123.064 122.820 0.001 0.000 1.898 320 A HA 0.076 4.396 4.320 0.001 0.000 0.216 320 A C 2.444 180.028 177.584 0.001 0.000 1.181 320 A CA 1.876 53.914 52.037 0.001 0.000 0.620 320 A CB -0.302 18.697 19.000 -0.001 0.000 0.819 320 A HN 0.304 nan 8.150 nan 0.000 0.442 321 M N -0.552 119.047 119.600 -0.002 0.000 2.156 321 M HA -0.047 4.433 4.480 0.001 0.000 0.264 321 M C 2.531 178.834 176.300 0.005 0.000 1.067 321 M CA 1.491 56.791 55.300 -0.001 0.000 1.131 321 M CB -1.368 31.229 32.600 -0.005 0.000 1.368 321 M HN 0.485 nan 8.290 nan 0.000 0.416 322 A N -0.546 122.279 122.820 0.009 0.000 1.902 322 A HA -0.154 4.167 4.320 0.001 0.000 0.217 322 A C 2.477 180.070 177.584 0.015 0.000 1.181 322 A CA 2.243 54.290 52.037 0.016 0.000 0.623 322 A CB -0.910 18.104 19.000 0.023 0.000 0.818 322 A HN 0.484 nan 8.150 nan 0.000 0.443 323 S N -0.454 115.253 115.700 0.011 0.000 2.356 323 S HA -0.048 4.423 4.470 0.001 0.000 0.223 323 S C 2.199 176.804 174.600 0.009 0.000 1.032 323 S CA 1.631 59.836 58.200 0.009 0.000 1.005 323 S CB -0.495 62.709 63.200 0.007 0.000 0.867 323 S HN 0.814 nan 8.310 nan 0.000 0.449 324 A N 1.442 124.266 122.820 0.007 0.000 1.877 324 A HA 0.045 4.366 4.320 0.001 0.000 0.216 324 A C 2.247 179.836 177.584 0.008 0.000 1.186 324 A CA 1.497 53.537 52.037 0.006 0.000 0.620 324 A CB -0.895 18.107 19.000 0.003 0.000 0.822 324 A HN 0.569 nan 8.150 nan 0.000 0.443 325 L N -0.780 120.448 121.223 0.009 0.000 2.046 325 L HA -0.203 4.137 4.340 0.001 0.000 0.208 325 L C 3.071 179.950 176.870 0.015 0.000 1.077 325 L CA 1.101 55.948 54.840 0.011 0.000 0.747 325 L CB -0.513 41.553 42.059 0.012 0.000 0.896 325 L HN 0.445 nan 8.230 nan 0.000 0.432 326 A N -0.303 122.528 122.820 0.017 0.000 2.019 326 A HA -0.169 4.151 4.320 0.001 0.000 0.219 326 A C 1.940 179.534 177.584 0.017 0.000 1.164 326 A CA 1.571 53.620 52.037 0.020 0.000 0.644 326 A CB -0.423 18.589 19.000 0.020 0.000 0.805 326 A HN 0.478 nan 8.150 nan 0.000 0.449 327 N N -0.823 117.884 118.700 0.013 0.000 2.373 327 N HA 0.149 4.890 4.740 0.001 0.000 0.181 327 N C 1.220 176.737 175.510 0.010 0.000 1.082 327 N CA 0.507 53.563 53.050 0.011 0.000 0.885 327 N CB 0.276 38.767 38.487 0.008 0.000 0.977 327 N HN 0.464 nan 8.380 nan 0.000 0.462 328 L N 0.540 121.769 121.223 0.010 0.000 2.470 328 L HA 0.149 4.490 4.340 0.001 0.000 0.219 328 L C 0.818 177.694 176.870 0.011 0.000 1.071 328 L CA 0.020 54.866 54.840 0.009 0.000 0.850 328 L CB 0.082 42.145 42.059 0.007 0.000 1.040 328 L HN -0.119 nan 8.230 nan 0.000 0.475 329 V N -1.561 118.361 119.914 0.014 0.000 2.963 329 V HA 0.130 4.250 4.120 0.001 0.000 0.306 329 V C 0.299 176.403 176.094 0.016 0.000 1.077 329 V CA -0.930 61.379 62.300 0.015 0.000 1.124 329 V CB 0.424 32.258 31.823 0.018 0.000 0.987 329 V HN 0.148 nan 8.190 nan 0.000 0.487 330 E N 1.047 121.256 120.200 0.016 0.000 2.392 330 E HA 0.190 4.541 4.350 0.001 0.000 0.259 330 E C -0.202 176.410 176.600 0.020 0.000 1.108 330 E CA -0.243 56.166 56.400 0.016 0.000 0.916 330 E CB 0.673 30.382 29.700 0.015 0.000 0.989 330 E HN 0.902 nan 8.360 nan 0.000 0.432 331 E N 1.503 121.715 120.200 0.020 0.000 2.166 331 E HA 0.034 4.384 4.350 0.001 0.000 0.279 331 E C -0.729 175.884 176.600 0.023 0.000 1.095 331 E CA -0.119 56.295 56.400 0.023 0.000 0.888 331 E CB 0.687 30.400 29.700 0.021 0.000 1.041 331 E HN 0.298 nan 8.360 nan 0.000 0.414 332 S N 3.036 118.751 115.700 0.026 0.000 2.576 332 S HA 0.061 4.532 4.470 0.001 0.000 0.276 332 S C 0.977 175.592 174.600 0.024 0.000 1.339 332 S CA 0.052 58.267 58.200 0.025 0.000 1.039 332 S CB 0.700 63.918 63.200 0.030 0.000 0.902 332 S HN 0.649 nan 8.310 nan 0.000 0.516 333 S N 3.802 119.514 115.700 0.020 0.000 2.593 333 S HA 0.184 4.654 4.470 0.001 0.000 0.217 333 S C 0.701 175.312 174.600 0.019 0.000 0.966 333 S CA -0.338 57.873 58.200 0.018 0.000 0.914 333 S CB -0.181 63.028 63.200 0.014 0.000 0.776 333 S HN 0.710 nan 8.310 nan 0.000 0.523 334 R N 1.558 122.071 120.500 0.023 0.000 2.827 334 R HA 0.183 4.523 4.340 0.001 0.000 0.269 334 R C 0.288 176.603 176.300 0.025 0.000 1.048 334 R CA -0.062 56.052 56.100 0.024 0.000 1.173 334 R CB 0.225 30.543 30.300 0.030 0.000 1.070 334 R HN 0.403 nan 8.270 nan 0.000 0.498 335 Q N 1.316 121.130 119.800 0.022 0.000 2.352 335 Q HA 0.046 4.386 4.340 0.001 0.000 0.260 335 Q C -0.179 175.838 176.000 0.028 0.000 0.976 335 Q CA -0.374 55.442 55.803 0.021 0.000 0.881 335 Q CB 0.917 29.664 28.738 0.015 0.000 1.235 335 Q HN 0.268 nan 8.270 nan 0.000 0.419 336 L N 4.398 125.638 121.223 0.028 0.000 2.490 336 L HA 0.104 4.444 4.340 0.001 0.000 0.274 336 L C -2.108 174.782 176.870 0.032 0.000 1.201 336 L CA -0.684 54.178 54.840 0.038 0.000 0.869 336 L CB 0.008 42.087 42.059 0.032 0.000 1.123 336 L HN 0.429 nan 8.230 nan 0.000 0.484 337 P HA 0.075 nan 4.420 nan 0.000 0.268 337 P C -0.943 176.365 177.300 0.014 0.000 1.208 337 P CA -0.059 63.058 63.100 0.028 0.000 0.777 337 P CB 0.301 32.020 31.700 0.031 0.000 0.875 338 T N 1.392 115.947 114.554 0.001 0.000 2.882 338 T HA 0.487 4.837 4.350 0.001 0.000 0.287 338 T C 0.213 174.906 174.700 -0.012 0.000 0.992 338 T CA -0.302 61.793 62.100 -0.008 0.000 1.076 338 T CB 0.674 69.537 68.868 -0.008 0.000 0.961 338 T HN 0.449 nan 8.240 nan 0.000 0.490 339 A N 2.387 125.199 122.820 -0.014 0.000 2.483 339 A HA 0.590 4.910 4.320 0.001 0.000 0.238 339 A C 0.816 178.395 177.584 -0.009 0.000 1.070 339 A CA -0.504 51.531 52.037 -0.003 0.000 0.770 339 A CB -0.224 18.772 19.000 -0.006 0.000 1.008 339 A HN 1.074 nan 8.150 nan 0.000 0.497 340 A N 3.569 126.384 122.820 -0.007 0.000 2.483 340 A HA 0.523 4.843 4.320 0.001 0.000 0.238 340 A C -1.519 176.063 177.584 -0.003 0.000 1.070 340 A CA -0.813 51.211 52.037 -0.021 0.000 0.770 340 A CB -0.658 18.320 19.000 -0.038 0.000 1.008 340 A HN 0.769 nan 8.150 nan 0.000 0.497 341 P HA 0.245 nan 4.420 nan 0.000 0.272 341 P C -0.244 177.059 177.300 0.005 0.000 1.240 341 P CA -0.378 62.721 63.100 -0.001 0.000 0.791 341 P CB 0.440 32.138 31.700 -0.003 0.000 0.978 342 E N 1.539 121.743 120.200 0.007 0.000 2.418 342 E HA 0.170 4.520 4.350 0.001 0.000 0.261 342 E C -1.806 174.800 176.600 0.010 0.000 1.070 342 E CA -1.456 54.951 56.400 0.011 0.000 0.931 342 E CB -0.822 28.884 29.700 0.010 0.000 0.954 342 E HN 0.337 nan 8.360 nan 0.000 0.439 343 P HA 0.148 nan 4.420 nan 0.000 0.272 343 P C -1.120 176.188 177.300 0.013 0.000 1.223 343 P CA -0.341 62.768 63.100 0.014 0.000 0.784 343 P CB 0.604 32.316 31.700 0.020 0.000 0.923 344 A N 2.151 124.978 122.820 0.010 0.000 2.445 344 A HA 0.126 4.446 4.320 0.001 0.000 0.242 344 A C 0.454 178.044 177.584 0.009 0.000 1.075 344 A CA -0.191 51.850 52.037 0.007 0.000 0.777 344 A CB -0.259 18.741 19.000 0.001 0.000 1.013 344 A HN 0.544 nan 8.150 nan 0.000 0.493 345 K N 2.248 122.652 120.400 0.006 0.000 2.285 345 K HA 0.407 4.727 4.320 0.001 0.000 0.286 345 K C -0.695 175.898 176.600 -0.011 0.000 1.072 345 K CA -0.375 55.916 56.287 0.007 0.000 0.913 345 K CB 0.434 32.941 32.500 0.011 0.000 1.067 345 K HN 0.455 nan 8.250 nan 0.000 0.479 346 V N 4.580 124.479 119.914 -0.025 0.000 2.637 346 V HA -0.048 4.073 4.120 0.001 0.000 0.296 346 V C -0.030 176.017 176.094 -0.080 0.000 1.046 346 V CA -0.349 61.897 62.300 -0.089 0.000 1.066 346 V CB 0.754 32.482 31.823 -0.158 0.000 0.968 346 V HN 0.827 nan 8.190 nan 0.000 0.483 347 D N 3.771 124.119 120.400 -0.087 0.000 2.533 347 D HA 0.200 4.841 4.640 0.001 0.000 0.236 347 D C 0.029 176.332 176.300 0.005 0.000 1.137 347 D CA 0.483 54.462 54.000 -0.034 0.000 0.867 347 D CB 0.560 41.348 40.800 -0.021 0.000 1.170 347 D HN 0.593 nan 8.370 nan 0.000 0.474 348 Q N 2.186 122.031 119.800 0.074 0.000 2.290 348 Q HA 0.236 4.576 4.340 0.001 0.000 0.269 348 Q C -1.181 174.881 176.000 0.102 0.000 1.016 348 Q CA -0.810 55.088 55.803 0.159 0.000 0.754 348 Q CB 1.139 29.963 28.738 0.143 0.000 1.247 348 Q HN 0.369 nan 8.270 nan 0.000 0.451 349 D N 2.247 122.711 120.400 0.106 0.000 2.425 349 D HA 0.290 4.930 4.640 0.001 0.000 0.274 349 D C 0.158 176.484 176.300 0.043 0.000 1.242 349 D CA -0.023 54.014 54.000 0.062 0.000 1.060 349 D CB 0.318 41.152 40.800 0.057 0.000 1.112 349 D HN 0.472 nan 8.370 nan 0.000 0.561 350 A N -1.164 121.674 122.820 0.029 0.000 2.302 350 A HA 0.462 4.783 4.320 0.001 0.000 0.219 350 A C 1.032 178.622 177.584 0.011 0.000 1.243 350 A CA 0.457 52.506 52.037 0.020 0.000 0.856 350 A CB -0.997 18.014 19.000 0.018 0.000 0.893 350 A HN 0.554 nan 8.150 nan 0.000 0.491 351 G N -0.599 108.204 108.800 0.005 0.000 2.849 351 G HA2 0.435 4.395 3.960 0.001 0.000 0.174 351 G HA3 0.435 4.395 3.960 0.001 0.000 0.174 351 G C -0.017 174.864 174.900 -0.031 0.000 1.370 351 G CA -1.011 44.083 45.100 -0.010 0.000 1.040 351 G HN 0.417 nan 8.290 nan 0.000 0.582 352 R N -0.354 120.113 120.500 -0.054 0.000 2.698 352 R HA 0.117 4.457 4.340 0.001 0.000 0.266 352 R C -0.389 175.827 176.300 -0.140 0.000 1.026 352 R CA -0.371 55.681 56.100 -0.080 0.000 1.102 352 R CB 0.226 30.477 30.300 -0.080 0.000 0.978 352 R HN 0.078 nan 8.270 nan 0.000 0.436 353 L N 4.189 125.344 121.223 -0.113 0.000 2.331 353 L HA 0.131 4.471 4.340 0.001 0.000 0.278 353 L C 0.755 177.527 176.870 -0.163 0.000 1.106 353 L CA 0.203 54.981 54.840 -0.103 0.000 0.824 353 L CB 0.470 42.493 42.059 -0.061 0.000 1.142 353 L HN 0.482 nan 8.230 nan 0.000 0.443 354 H N 5.176 124.246 119.070 0.000 0.000 2.815 354 H HA 0.047 4.603 4.556 0.000 0.000 0.350 354 H C -1.388 173.930 175.328 -0.017 0.000 1.080 354 H CA -1.240 54.815 56.048 0.011 0.000 1.433 354 H CB 0.719 30.498 29.762 0.028 0.000 1.432 354 H HN 0.347 nan 8.280 nan 0.000 0.592 355 P HA -0.141 nan 4.420 nan 0.000 0.218 355 P C 1.064 178.386 177.300 0.037 0.000 1.148 355 P CA 1.232 64.326 63.100 -0.009 0.000 0.822 355 P CB 0.396 32.172 31.700 0.127 0.000 0.784 356 E N -1.042 119.270 120.200 0.187 0.000 2.118 356 E HA -0.139 4.212 4.350 0.001 0.000 0.195 356 E C 1.959 178.638 176.600 0.132 0.000 0.992 356 E CA 1.704 58.230 56.400 0.210 0.000 0.804 356 E CB -1.315 28.465 29.700 0.134 0.000 0.741 356 E HN 0.240 nan 8.360 nan 0.000 0.458 357 T N 0.215 114.825 114.554 0.093 0.000 2.746 357 T HA -0.139 4.211 4.350 0.001 0.000 0.267 357 T C 2.013 176.710 174.700 -0.005 0.000 1.039 357 T CA 1.296 63.430 62.100 0.057 0.000 1.142 357 T CB -0.328 68.584 68.868 0.074 0.000 0.866 357 T HN -0.018 nan 8.240 nan 0.000 0.444 358 V N 0.876 120.725 119.914 -0.108 0.000 2.295 358 V HA -0.136 3.985 4.120 0.001 0.000 0.246 358 V C 2.169 178.137 176.094 -0.210 0.000 1.049 358 V CA 1.677 63.843 62.300 -0.223 0.000 1.024 358 V CB -0.832 30.747 31.823 -0.407 0.000 0.648 358 V HN 0.376 nan 8.190 nan 0.000 0.447 359 F N 0.555 120.511 119.950 0.010 0.000 2.186 359 F HA -0.094 4.433 4.527 0.001 0.000 0.299 359 F C 2.270 178.053 175.800 -0.027 0.000 1.090 359 F CA 1.288 59.269 58.000 -0.031 0.000 1.307 359 F CB -0.838 38.130 39.000 -0.053 0.000 1.019 359 F HN 0.196 nan 8.300 nan 0.000 0.489 360 D N -0.484 120.006 120.400 0.149 0.000 2.144 360 D HA -0.124 4.516 4.640 0.001 0.000 0.199 360 D C 2.278 178.617 176.300 0.065 0.000 0.984 360 D CA 1.742 55.796 54.000 0.090 0.000 0.834 360 D CB -0.724 40.118 40.800 0.069 0.000 0.955 360 D HN 0.186 nan 8.370 nan 0.000 0.465 361 T N 0.917 115.501 114.554 0.050 0.000 2.821 361 T HA -0.025 4.326 4.350 0.001 0.000 0.267 361 T C 2.216 176.951 174.700 0.058 0.000 1.046 361 T CA 0.414 62.538 62.100 0.040 0.000 1.139 361 T CB -0.178 68.702 68.868 0.020 0.000 0.871 361 T HN 0.109 nan 8.240 nan 0.000 0.454 362 L N 1.179 122.449 121.223 0.078 0.000 2.046 362 L HA -0.122 4.218 4.340 0.001 0.000 0.208 362 L C 2.611 179.575 176.870 0.156 0.000 1.077 362 L CA 1.290 56.211 54.840 0.136 0.000 0.747 362 L CB -0.569 41.613 42.059 0.204 0.000 0.896 362 L HN 0.265 nan 8.230 nan 0.000 0.432 363 N N -0.041 118.728 118.700 0.114 0.000 2.166 363 N HA -0.210 4.530 4.740 0.001 0.000 0.186 363 N C 1.445 177.001 175.510 0.077 0.000 1.019 363 N CA 1.451 54.556 53.050 0.092 0.000 0.856 363 N CB 0.018 38.529 38.487 0.041 0.000 0.993 363 N HN 0.210 nan 8.380 nan 0.000 0.426 364 D N -0.582 119.856 120.400 0.062 0.000 2.144 364 D HA -0.076 4.564 4.640 0.001 0.000 0.200 364 D C 1.615 177.941 176.300 0.045 0.000 0.978 364 D CA 1.098 55.126 54.000 0.046 0.000 0.833 364 D CB -0.013 40.810 40.800 0.037 0.000 0.961 364 D HN 0.470 nan 8.370 nan 0.000 0.470 365 M N -0.146 119.486 119.600 0.054 0.000 2.571 365 M HA 0.225 4.705 4.480 0.001 0.000 0.259 365 M C 0.853 177.178 176.300 0.042 0.000 1.205 365 M CA -0.109 55.216 55.300 0.042 0.000 1.138 365 M CB 0.697 33.320 32.600 0.038 0.000 1.329 365 M HN -0.194 nan 8.290 nan 0.000 0.503 366 A N 2.442 125.303 122.820 0.068 0.000 2.386 366 A HA 0.415 4.735 4.320 0.001 0.000 0.248 366 A C -2.140 175.460 177.584 0.026 0.000 1.082 366 A CA -1.082 50.985 52.037 0.049 0.000 0.789 366 A CB -0.699 18.363 19.000 0.103 0.000 1.025 366 A HN 0.099 nan 8.150 nan 0.000 0.490 367 P HA 0.103 nan 4.420 nan 0.000 0.270 367 P C 0.110 177.405 177.300 -0.009 0.000 1.223 367 P CA -0.057 63.033 63.100 -0.016 0.000 0.785 367 P CB 0.466 32.144 31.700 -0.036 0.000 0.923 368 E N 0.920 121.118 120.200 -0.004 0.000 2.265 368 E HA -0.154 4.196 4.350 0.001 0.000 0.196 368 E C 0.781 177.374 176.600 -0.011 0.000 0.996 368 E CA 0.899 57.300 56.400 0.002 0.000 0.832 368 E CB -0.247 29.451 29.700 -0.004 0.000 0.756 368 E HN 0.517 nan 8.360 nan 0.000 0.491 369 N N 0.498 119.179 118.700 -0.031 0.000 2.320 369 N HA 0.125 4.865 4.740 0.001 0.000 0.237 369 N C -0.243 175.219 175.510 -0.081 0.000 1.129 369 N CA -0.099 52.925 53.050 -0.043 0.000 0.854 369 N CB 0.162 38.627 38.487 -0.037 0.000 1.083 369 N HN -0.059 nan 8.380 nan 0.000 0.504 370 A N 0.667 123.411 122.820 -0.126 0.000 2.448 370 A HA 0.466 4.786 4.320 0.001 0.000 0.239 370 A C 0.060 177.459 177.584 -0.309 0.000 1.080 370 A CA -0.117 51.756 52.037 -0.273 0.000 0.779 370 A CB 0.102 18.825 19.000 -0.461 0.000 1.026 370 A HN 0.408 nan 8.150 nan 0.000 0.499 371 I N 0.502 120.856 120.570 -0.360 0.000 2.465 371 I HA 0.364 4.535 4.170 0.001 0.000 0.291 371 I C -1.280 174.643 176.117 -0.324 0.000 1.014 371 I CA -0.294 60.879 61.300 -0.213 0.000 1.093 371 I CB 1.579 39.562 38.000 -0.028 0.000 1.267 371 I HN 0.607 nan 8.210 nan 0.000 0.431 372 Y N 5.862 126.181 120.300 0.032 0.000 2.387 372 Y HA 0.665 5.215 4.550 0.000 0.000 0.336 372 Y C -0.468 175.426 175.900 -0.009 0.000 1.067 372 Y CA -0.823 57.290 58.100 0.021 0.000 1.114 372 Y CB 1.551 40.036 38.460 0.041 0.000 1.208 372 Y HN 0.295 nan 8.280 nan 0.000 0.458 373 L N 2.594 123.904 121.223 0.145 0.000 2.354 373 L HA 0.476 4.817 4.340 0.001 0.000 0.269 373 L C -0.684 176.234 176.870 0.081 0.000 1.005 373 L CA -0.680 54.195 54.840 0.057 0.000 0.819 373 L CB 1.695 43.794 42.059 0.067 0.000 1.311 373 L HN 0.570 nan 8.230 nan 0.000 0.423 374 N N 1.352 120.081 118.700 0.048 0.000 2.442 374 N HA 0.305 5.045 4.740 0.001 0.000 0.274 374 N C -0.899 174.794 175.510 0.307 0.000 1.002 374 N CA -0.241 52.934 53.050 0.208 0.000 0.910 374 N CB 1.360 39.994 38.487 0.245 0.000 1.244 374 N HN 0.688 nan 8.380 nan 0.000 0.492 375 E N 1.940 122.292 120.200 0.254 0.000 4.017 375 E HA 0.145 4.495 4.350 0.001 0.000 0.205 375 E C -1.325 175.411 176.600 0.227 0.000 1.054 375 E CA -0.120 56.415 56.400 0.226 0.000 1.398 375 E CB 0.183 29.969 29.700 0.142 0.000 1.164 375 E HN 0.344 nan 8.360 nan 0.000 0.445 376 S N 0.299 116.162 115.700 0.272 0.000 2.426 376 S HA 0.111 4.582 4.470 0.001 0.000 0.236 376 S C 1.135 175.889 174.600 0.257 0.000 1.368 376 S CA -0.258 58.090 58.200 0.247 0.000 1.154 376 S CB 0.444 63.804 63.200 0.266 0.000 1.037 376 S HN 0.396 nan 8.310 nan 0.000 0.481 377 T N 0.660 115.359 114.554 0.243 0.000 2.951 377 T HA -0.093 4.257 4.350 0.001 0.000 0.268 377 T C 1.777 176.573 174.700 0.160 0.000 1.073 377 T CA 1.227 63.475 62.100 0.246 0.000 1.134 377 T CB -0.412 68.595 68.868 0.232 0.000 0.884 377 T HN 0.661 nan 8.240 nan 0.000 0.479 378 S N 1.487 117.272 115.700 0.141 0.000 2.593 378 S HA 0.053 4.524 4.470 0.001 0.000 0.217 378 S C 1.613 176.247 174.600 0.057 0.000 0.966 378 S CA 0.369 58.607 58.200 0.063 0.000 0.914 378 S CB -0.633 62.625 63.200 0.097 0.000 0.776 378 S HN 0.707 nan 8.310 nan 0.000 0.523 379 T N -3.394 111.237 114.554 0.129 0.000 3.145 379 T HA 0.230 4.580 4.350 0.001 0.000 0.281 379 T C 1.203 175.955 174.700 0.086 0.000 1.003 379 T CA 0.165 62.369 62.100 0.174 0.000 0.901 379 T CB -0.151 68.947 68.868 0.384 0.000 1.112 379 T HN 0.154 nan 8.240 nan 0.000 0.535 380 T N 2.347 116.931 114.554 0.049 0.000 2.684 380 T HA -0.034 4.316 4.350 0.001 0.000 0.267 380 T C 2.404 177.120 174.700 0.027 0.000 1.036 380 T CA 1.662 63.779 62.100 0.028 0.000 1.148 380 T CB -0.700 68.164 68.868 -0.008 0.000 0.863 380 T HN 0.633 nan 8.240 nan 0.000 0.436 381 A N 1.476 124.288 122.820 -0.014 0.000 1.883 381 A HA -0.170 4.151 4.320 0.001 0.000 0.217 381 A C 2.385 179.959 177.584 -0.016 0.000 1.186 381 A CA 1.326 53.354 52.037 -0.015 0.000 0.624 381 A CB -0.545 18.420 19.000 -0.059 0.000 0.822 381 A HN 0.330 nan 8.150 nan 0.000 0.444 382 Q N -1.030 118.743 119.800 -0.045 0.000 2.119 382 Q HA -0.150 4.190 4.340 0.001 0.000 0.201 382 Q C 2.101 177.929 176.000 -0.287 0.000 0.972 382 Q CA 1.637 57.406 55.803 -0.058 0.000 0.847 382 Q CB -0.573 28.213 28.738 0.080 0.000 0.903 382 Q HN 0.828 nan 8.270 nan 0.000 0.433 383 M N -1.196 118.012 119.600 -0.653 0.000 2.086 383 M HA -0.191 4.289 4.480 0.001 0.000 0.261 383 M C 1.567 177.523 176.300 -0.572 0.000 1.067 383 M CA 1.648 56.248 55.300 -1.167 0.000 1.116 383 M CB -0.212 31.681 32.600 -1.178 0.000 1.348 383 M HN 0.200 nan 8.290 nan 0.000 0.407 384 W N 0.709 121.773 121.300 -0.394 0.000 2.392 384 W HA -0.167 4.493 4.660 -0.000 0.000 0.279 384 W C 2.317 178.729 176.519 -0.179 0.000 1.225 384 W CA 1.247 58.417 57.345 -0.292 0.000 1.233 384 W CB -0.078 29.235 29.460 -0.244 0.000 1.122 384 W HN 0.376 nan 8.180 nan 0.000 0.561 385 Q N -0.807 119.026 119.800 0.056 0.000 2.331 385 Q HA -0.012 4.328 4.340 0.001 0.000 0.203 385 Q C 1.843 177.839 176.000 -0.006 0.000 0.944 385 Q CA 0.809 56.638 55.803 0.044 0.000 0.892 385 Q CB 0.005 28.756 28.738 0.022 0.000 0.983 385 Q HN 0.300 nan 8.270 nan 0.000 0.482 386 R N -0.594 119.858 120.500 -0.081 0.000 2.335 386 R HA 0.252 4.592 4.340 0.001 0.000 0.210 386 R C -0.149 176.095 176.300 -0.094 0.000 0.892 386 R CA -0.035 56.034 56.100 -0.051 0.000 1.048 386 R CB 0.777 31.084 30.300 0.013 0.000 1.067 386 R HN 0.057 nan 8.270 nan 0.000 0.524 387 L N 1.556 122.656 121.223 -0.205 0.000 2.287 387 L HA 0.299 4.639 4.340 0.001 0.000 0.287 387 L C -0.362 176.405 176.870 -0.171 0.000 1.022 387 L CA -0.535 54.152 54.840 -0.256 0.000 0.814 387 L CB 1.568 43.292 42.059 -0.557 0.000 1.217 387 L HN 0.093 nan 8.230 nan 0.000 0.420 388 N N 4.885 123.535 118.700 -0.083 0.000 2.401 388 N HA 0.310 5.051 4.740 0.001 0.000 0.255 388 N C -0.851 174.635 175.510 -0.039 0.000 1.110 388 N CA -0.399 52.616 53.050 -0.060 0.000 0.949 388 N CB 0.534 39.007 38.487 -0.024 0.000 1.110 388 N HN 0.565 nan 8.380 nan 0.000 0.490 389 M N 3.708 123.252 119.600 -0.093 0.000 2.027 389 M HA 0.241 4.721 4.480 0.001 0.000 0.329 389 M C 0.799 177.038 176.300 -0.101 0.000 0.971 389 M CA -0.463 54.800 55.300 -0.062 0.000 0.933 389 M CB 1.590 34.132 32.600 -0.098 0.000 1.392 389 M HN 0.472 nan 8.290 nan 0.000 0.394 390 R N 0.389 120.849 120.500 -0.067 0.000 2.153 390 R HA 0.115 4.456 4.340 0.001 0.000 0.218 390 R C 0.359 176.602 176.300 -0.094 0.000 1.072 390 R CA 0.757 56.806 56.100 -0.085 0.000 0.990 390 R CB 0.203 30.469 30.300 -0.056 0.000 0.889 390 R HN 0.599 nan 8.270 nan 0.000 0.452 391 N N 0.801 119.460 118.700 -0.069 0.000 2.443 391 N HA 0.296 5.036 4.740 0.001 0.000 0.293 391 N C -2.621 172.856 175.510 -0.054 0.000 1.159 391 N CA -1.688 51.326 53.050 -0.059 0.000 0.904 391 N CB 1.209 39.673 38.487 -0.039 0.000 1.214 391 N HN -0.214 nan 8.380 nan 0.000 0.513 392 P HA 0.104 nan 4.420 nan 0.000 0.271 392 P C 0.511 177.806 177.300 -0.010 0.000 1.233 392 P CA 0.273 63.358 63.100 -0.025 0.000 0.789 392 P CB 0.276 31.968 31.700 -0.015 0.000 0.951 393 G N 0.303 109.098 108.800 -0.008 0.000 2.249 393 G HA2 -0.257 3.703 3.960 0.001 0.000 0.273 393 G HA3 -0.257 3.703 3.960 0.001 0.000 0.273 393 G C 0.636 175.540 174.900 0.006 0.000 1.036 393 G CA 0.475 45.590 45.100 0.024 0.000 0.824 393 G HN 0.448 nan 8.290 nan 0.000 0.504 394 S N -1.547 114.118 115.700 -0.058 0.000 2.539 394 S HA 0.389 4.860 4.470 0.001 0.000 0.221 394 S C -0.040 174.592 174.600 0.054 0.000 0.987 394 S CA 0.240 58.445 58.200 0.008 0.000 0.929 394 S CB 0.506 63.719 63.200 0.022 0.000 0.832 394 S HN 0.770 nan 8.310 nan 0.000 0.492 395 Y N 0.682 120.778 120.300 -0.338 0.000 2.479 395 Y HA 0.554 5.104 4.550 0.000 0.000 0.338 395 Y C -2.130 173.445 175.900 -0.541 0.000 1.055 395 Y CA -1.278 56.650 58.100 -0.287 0.000 1.023 395 Y CB 1.038 39.292 38.460 -0.343 0.000 1.287 395 Y HN 0.048 nan 8.280 nan 0.000 0.447 396 Y N 6.314 126.374 120.300 -0.401 0.000 2.457 396 Y HA 0.593 5.143 4.550 0.000 0.000 0.343 396 Y C -1.446 174.316 175.900 -0.230 0.000 0.994 396 Y CA -1.178 56.848 58.100 -0.124 0.000 1.031 396 Y CB 2.200 40.765 38.460 0.174 0.000 1.246 396 Y HN 0.590 nan 8.280 nan 0.000 0.449 397 F N 2.697 122.613 119.950 -0.057 0.000 2.581 397 F HA 0.542 5.069 4.527 0.000 0.000 0.311 397 F C -0.371 175.330 175.800 -0.164 0.000 1.113 397 F CA -1.778 56.209 58.000 -0.022 0.000 0.935 397 F CB 0.923 39.973 39.000 0.084 0.000 1.232 397 F HN 0.748 nan 8.300 nan 0.000 0.445 398 C N 4.303 123.002 119.300 -1.003 0.000 2.409 398 C HA 0.407 4.867 4.460 0.001 0.000 0.399 398 C C 1.544 176.069 174.990 -0.774 0.000 1.505 398 C CA 0.043 58.415 59.018 -1.077 0.000 1.435 398 C CB -1.281 26.007 27.740 -0.753 0.000 2.462 398 C HN 1.026 nan 8.230 nan 0.000 0.619 399 A N 3.223 125.724 122.820 -0.532 0.000 2.066 399 A HA 0.328 4.649 4.320 0.001 0.000 0.218 399 A C 2.186 179.686 177.584 -0.141 0.000 1.157 399 A CA 1.351 53.262 52.037 -0.209 0.000 0.670 399 A CB -0.338 18.551 19.000 -0.186 0.000 0.804 399 A HN 1.596 nan 8.150 nan 0.000 0.453 400 A N -1.892 120.813 122.820 -0.191 0.000 2.387 400 A HA 0.461 4.781 4.320 0.001 0.000 0.234 400 A C 1.618 179.108 177.584 -0.156 0.000 1.253 400 A CA 0.946 52.911 52.037 -0.120 0.000 0.894 400 A CB -0.758 18.194 19.000 -0.080 0.000 0.963 400 A HN 1.719 nan 8.150 nan 0.000 0.508 401 G N -1.119 107.536 108.800 -0.240 0.000 2.168 401 G HA2 -0.116 3.844 3.960 0.001 0.000 0.263 401 G HA3 -0.116 3.844 3.960 0.001 0.000 0.263 401 G C 0.685 175.434 174.900 -0.251 0.000 0.977 401 G CA 0.265 45.220 45.100 -0.242 0.000 0.659 401 G HN 1.470 nan 8.290 nan 0.000 0.533 402 G N 0.244 108.892 108.800 -0.253 0.000 2.351 402 G HA2 0.582 4.543 3.960 0.001 0.000 0.287 402 G HA3 0.582 4.543 3.960 0.001 0.000 0.287 402 G C 0.525 175.274 174.900 -0.253 0.000 1.159 402 G CA -0.566 44.405 45.100 -0.216 0.000 0.929 402 G HN 0.612 nan 8.290 nan 0.000 0.435 403 L N 1.793 122.789 121.223 -0.377 0.000 2.467 403 L HA 0.417 4.757 4.340 0.001 0.000 0.270 403 L C 1.557 178.213 176.870 -0.355 0.000 1.205 403 L CA 0.801 55.357 54.840 -0.473 0.000 0.828 403 L CB 0.777 42.295 42.059 -0.902 0.000 1.101 403 L HN 0.836 nan 8.230 nan 0.000 0.479 404 G N 1.234 109.969 108.800 -0.108 0.000 2.179 404 G HA2 -0.316 3.644 3.960 0.001 0.000 0.220 404 G HA3 -0.316 3.644 3.960 0.001 0.000 0.220 404 G C 0.275 175.228 174.900 0.088 0.000 0.990 404 G CA 0.331 45.475 45.100 0.075 0.000 0.646 404 G HN 0.644 nan 8.290 nan 0.000 0.517 405 F N 1.703 121.607 119.950 -0.076 0.000 2.147 405 F HA 0.486 5.013 4.527 0.000 0.000 0.291 405 F C 2.509 178.287 175.800 -0.036 0.000 1.093 405 F CA 2.095 60.051 58.000 -0.073 0.000 1.263 405 F CB -0.459 38.461 39.000 -0.133 0.000 1.036 405 F HN 0.237 nan 8.300 nan 0.000 0.481 406 A N 0.795 123.555 122.820 -0.101 0.000 1.930 406 A HA -0.103 4.218 4.320 0.001 0.000 0.217 406 A C 2.288 179.791 177.584 -0.134 0.000 1.175 406 A CA 1.588 53.503 52.037 -0.204 0.000 0.627 406 A CB -1.218 17.822 19.000 0.067 0.000 0.815 406 A HN 0.584 nan 8.150 nan 0.000 0.443 407 L N 0.185 121.408 121.223 -0.001 0.000 1.976 407 L HA -0.069 4.271 4.340 0.001 0.000 0.209 407 L C -0.434 176.486 176.870 0.082 0.000 1.071 407 L CA 1.833 56.752 54.840 0.131 0.000 0.746 407 L CB -0.715 41.394 42.059 0.083 0.000 0.890 407 L HN 0.250 nan 8.230 nan 0.000 0.432 408 P HA -0.138 nan 4.420 nan 0.000 0.217 408 P C 1.268 178.457 177.300 -0.185 0.000 1.151 408 P CA 1.925 64.982 63.100 -0.071 0.000 0.828 408 P CB -0.087 31.567 31.700 -0.077 0.000 0.788 409 A N 0.668 123.232 122.820 -0.427 0.000 1.972 409 A HA -0.033 4.287 4.320 0.001 0.000 0.219 409 A C 2.463 179.822 177.584 -0.375 0.000 1.169 409 A CA 1.937 53.625 52.037 -0.582 0.000 0.635 409 A CB -1.489 16.700 19.000 -1.353 0.000 0.810 409 A HN 0.228 nan 8.150 nan 0.000 0.446 410 A N -0.161 122.505 122.820 -0.258 0.000 2.015 410 A HA -0.021 4.299 4.320 0.001 0.000 0.219 410 A C 2.033 179.539 177.584 -0.130 0.000 1.163 410 A CA 1.375 53.303 52.037 -0.181 0.000 0.646 410 A CB -0.534 18.378 19.000 -0.147 0.000 0.806 410 A HN 0.522 nan 8.150 nan 0.000 0.448 411 I N -0.584 119.961 120.570 -0.042 0.000 2.286 411 I HA -0.131 4.040 4.170 0.001 0.000 0.245 411 I C 2.704 178.819 176.117 -0.004 0.000 1.104 411 I CA 1.038 62.348 61.300 0.017 0.000 1.397 411 I CB -0.615 37.446 38.000 0.101 0.000 1.072 411 I HN 0.365 nan 8.210 nan 0.000 0.417 412 G N 0.656 109.426 108.800 -0.050 0.000 2.418 412 G HA2 -0.174 3.786 3.960 0.001 0.000 0.217 412 G HA3 -0.174 3.786 3.960 0.001 0.000 0.217 412 G C 1.725 176.641 174.900 0.026 0.000 1.158 412 G CA 0.826 45.925 45.100 -0.001 0.000 0.771 412 G HN 0.222 nan 8.290 nan 0.000 0.545 413 V N 0.574 120.415 119.914 -0.122 0.000 2.343 413 V HA -0.230 3.890 4.120 0.001 0.000 0.247 413 V C 2.778 178.835 176.094 -0.062 0.000 1.051 413 V CA 2.299 64.510 62.300 -0.149 0.000 1.036 413 V CB -0.442 31.238 31.823 -0.238 0.000 0.654 413 V HN 0.434 nan 8.190 nan 0.000 0.451 414 Q N -0.227 119.542 119.800 -0.052 0.000 2.119 414 Q HA -0.182 4.159 4.340 0.001 0.000 0.201 414 Q C 1.942 177.956 176.000 0.023 0.000 0.972 414 Q CA 1.709 57.492 55.803 -0.034 0.000 0.847 414 Q CB -0.498 28.204 28.738 -0.060 0.000 0.903 414 Q HN 0.554 nan 8.270 nan 0.000 0.433 415 L N -0.111 121.163 121.223 0.084 0.000 2.083 415 L HA -0.020 4.320 4.340 0.001 0.000 0.209 415 L C 2.022 179.037 176.870 0.242 0.000 1.083 415 L CA 2.100 57.038 54.840 0.163 0.000 0.752 415 L CB -0.856 41.323 42.059 0.199 0.000 0.899 415 L HN 0.246 nan 8.230 nan 0.000 0.433 416 A N -1.512 121.427 122.820 0.197 0.000 1.969 416 A HA -0.048 4.273 4.320 0.001 0.000 0.218 416 A C 1.119 178.679 177.584 -0.041 0.000 1.169 416 A CA 1.136 53.144 52.037 -0.048 0.000 0.635 416 A CB -0.217 18.592 19.000 -0.318 0.000 0.810 416 A HN 0.449 nan 8.150 nan 0.000 0.445 417 E N -0.523 119.666 120.200 -0.018 0.000 3.303 417 E HA 0.170 4.521 4.350 0.001 0.000 0.215 417 E C -2.212 174.380 176.600 -0.013 0.000 1.181 417 E CA -1.625 54.762 56.400 -0.022 0.000 0.998 417 E CB 0.943 30.625 29.700 -0.029 0.000 1.312 417 E HN 0.376 nan 8.360 nan 0.000 0.412 418 P HA -0.102 nan 4.420 nan 0.000 0.225 418 P C 0.642 177.934 177.300 -0.013 0.000 1.148 418 P CA 0.924 64.024 63.100 -0.001 0.000 0.779 418 P CB 0.615 32.322 31.700 0.013 0.000 0.780 419 E N -0.399 119.790 120.200 -0.017 0.000 2.479 419 E HA 0.089 4.439 4.350 0.001 0.000 0.193 419 E C 0.615 177.196 176.600 -0.032 0.000 1.049 419 E CA 0.173 56.560 56.400 -0.021 0.000 0.870 419 E CB 0.239 29.929 29.700 -0.017 0.000 0.944 419 E HN 0.398 nan 8.360 nan 0.000 0.492 420 R N 1.414 121.890 120.500 -0.041 0.000 2.360 420 R HA 0.227 4.568 4.340 0.001 0.000 0.318 420 R C -0.271 175.981 176.300 -0.081 0.000 0.950 420 R CA -0.725 55.341 56.100 -0.058 0.000 0.837 420 R CB 1.301 31.570 30.300 -0.052 0.000 1.165 420 R HN -0.141 nan 8.270 nan 0.000 0.458 421 Q N 2.568 122.308 119.800 -0.101 0.000 2.271 421 Q HA 0.112 4.452 4.340 0.001 0.000 0.273 421 Q C -0.851 175.041 176.000 -0.181 0.000 1.051 421 Q CA 0.126 55.855 55.803 -0.124 0.000 0.901 421 Q CB 0.942 29.611 28.738 -0.115 0.000 1.174 421 Q HN 0.380 nan 8.270 nan 0.000 0.385 422 V N 6.726 126.535 119.914 -0.174 0.000 2.465 422 V HA 0.410 4.530 4.120 0.001 0.000 0.279 422 V C 0.112 176.062 176.094 -0.241 0.000 1.045 422 V CA -0.429 61.748 62.300 -0.206 0.000 0.938 422 V CB 1.086 32.803 31.823 -0.177 0.000 0.986 422 V HN 0.731 nan 8.190 nan 0.000 0.467 423 I N 4.182 124.609 120.570 -0.237 0.000 2.476 423 I HA 0.581 4.751 4.170 0.001 0.000 0.281 423 I C 0.129 176.232 176.117 -0.024 0.000 1.040 423 I CA -0.501 60.712 61.300 -0.145 0.000 1.094 423 I CB 1.674 39.622 38.000 -0.087 0.000 1.219 423 I HN 0.634 nan 8.210 nan 0.000 0.450 424 A N 6.568 129.346 122.820 -0.069 0.000 2.260 424 A HA 0.692 5.012 4.320 0.001 0.000 0.308 424 A C -0.344 177.312 177.584 0.121 0.000 1.254 424 A CA -0.413 51.645 52.037 0.035 0.000 0.874 424 A CB 0.736 19.744 19.000 0.013 0.000 1.153 424 A HN 0.464 nan 8.150 nan 0.000 0.527 425 V N 5.072 125.091 119.914 0.175 0.000 2.311 425 V HA 0.378 4.498 4.120 0.001 0.000 0.275 425 V C -0.263 175.937 176.094 0.176 0.000 1.022 425 V CA 0.080 62.490 62.300 0.183 0.000 0.830 425 V CB 0.201 32.194 31.823 0.284 0.000 1.012 425 V HN 0.721 nan 8.190 nan 0.000 0.452 426 I N 3.617 124.262 120.570 0.125 0.000 2.498 426 I HA 0.571 4.741 4.170 0.001 0.000 0.290 426 I C 0.929 177.083 176.117 0.062 0.000 1.032 426 I CA -0.519 60.851 61.300 0.116 0.000 1.073 426 I CB 2.076 40.146 38.000 0.116 0.000 1.251 426 I HN 0.645 nan 8.210 nan 0.000 0.426 427 G N 2.939 111.802 108.800 0.104 0.000 2.636 427 G HA2 0.051 4.011 3.960 0.001 0.000 0.246 427 G HA3 0.051 4.011 3.960 0.001 0.000 0.246 427 G C 0.843 175.760 174.900 0.029 0.000 1.216 427 G CA -0.241 44.910 45.100 0.085 0.000 0.854 427 G HN 0.827 nan 8.290 nan 0.000 0.572 428 D N 0.389 120.782 120.400 -0.012 0.000 2.178 428 D HA -0.113 4.527 4.640 0.001 0.000 0.201 428 D C 2.132 178.588 176.300 0.259 0.000 0.980 428 D CA 1.375 55.370 54.000 -0.009 0.000 0.842 428 D CB -0.802 40.073 40.800 0.124 0.000 0.948 428 D HN 0.464 nan 8.370 nan 0.000 0.472 429 G N 0.443 109.421 108.800 0.297 0.000 2.414 429 G HA2 -0.224 3.736 3.960 0.001 0.000 0.215 429 G HA3 -0.224 3.736 3.960 0.001 0.000 0.215 429 G C 1.873 177.114 174.900 0.569 0.000 1.188 429 G CA 1.012 46.405 45.100 0.489 0.000 0.783 429 G HN 0.347 nan 8.290 nan 0.000 0.537 430 S N 1.125 117.102 115.700 0.462 0.000 2.399 430 S HA -0.029 4.441 4.470 0.001 0.000 0.231 430 S C 2.719 177.568 174.600 0.415 0.000 1.022 430 S CA 1.113 59.570 58.200 0.429 0.000 0.983 430 S CB -0.333 62.998 63.200 0.219 0.000 0.803 430 S HN 0.583 nan 8.310 nan 0.000 0.480 431 A N 2.576 125.568 122.820 0.287 0.000 2.024 431 A HA -0.141 4.180 4.320 0.001 0.000 0.220 431 A C 1.849 179.603 177.584 0.284 0.000 1.164 431 A CA 1.326 53.502 52.037 0.232 0.000 0.643 431 A CB -0.495 18.577 19.000 0.119 0.000 0.806 431 A HN 0.510 nan 8.150 nan 0.000 0.451 432 N N -1.304 117.576 118.700 0.300 0.000 2.331 432 N HA -0.117 4.623 4.740 0.001 0.000 0.180 432 N C 1.375 176.946 175.510 0.101 0.000 1.019 432 N CA 1.229 54.376 53.050 0.162 0.000 0.881 432 N CB -0.423 38.092 38.487 0.046 0.000 0.972 432 N HN 0.642 nan 8.380 nan 0.000 0.435 433 Y N 1.375 121.749 120.300 0.124 0.000 2.165 433 Y HA -0.049 4.501 4.550 0.001 0.000 0.286 433 Y C 1.626 177.565 175.900 0.066 0.000 1.155 433 Y CA 1.007 59.162 58.100 0.091 0.000 1.164 433 Y CB 0.020 38.529 38.460 0.082 0.000 0.978 433 Y HN -0.078 nan 8.280 nan 0.000 0.513 434 S N -0.694 115.131 115.700 0.208 0.000 2.751 434 S HA 0.131 4.601 4.470 0.001 0.000 0.247 434 S C 1.206 175.840 174.600 0.057 0.000 1.103 434 S CA -0.298 57.967 58.200 0.108 0.000 1.090 434 S CB -0.125 63.126 63.200 0.086 0.000 0.928 434 S HN 0.229 nan 8.310 nan 0.000 0.502 435 I N 2.853 123.470 120.570 0.079 0.000 2.335 435 I HA -0.191 3.979 4.170 0.001 0.000 0.251 435 I C 2.302 178.402 176.117 -0.029 0.000 1.129 435 I CA 1.707 63.053 61.300 0.076 0.000 1.402 435 I CB -0.250 37.845 38.000 0.159 0.000 1.069 435 I HN 0.451 nan 8.210 nan 0.000 0.424 436 S N 0.424 116.054 115.700 -0.116 0.000 2.507 436 S HA 0.003 4.473 4.470 0.001 0.000 0.235 436 S C 2.176 176.536 174.600 -0.401 0.000 0.988 436 S CA 0.557 58.453 58.200 -0.507 0.000 0.944 436 S CB -0.848 62.164 63.200 -0.313 0.000 0.762 436 S HN 0.478 nan 8.310 nan 0.000 0.526 437 A N 2.170 124.891 122.820 -0.166 0.000 2.024 437 A HA 0.089 4.410 4.320 0.001 0.000 0.220 437 A C 2.163 179.708 177.584 -0.066 0.000 1.164 437 A CA 1.237 53.236 52.037 -0.063 0.000 0.643 437 A CB -0.868 18.119 19.000 -0.022 0.000 0.806 437 A HN 0.573 nan 8.150 nan 0.000 0.451 438 L N -2.546 118.573 121.223 -0.174 0.000 2.089 438 L HA -0.262 4.078 4.340 0.001 0.000 0.213 438 L C 2.451 179.331 176.870 0.017 0.000 1.079 438 L CA 1.867 56.618 54.840 -0.148 0.000 0.758 438 L CB -0.478 41.516 42.059 -0.108 0.000 0.891 438 L HN 0.789 nan 8.230 nan 0.000 0.433 439 W N 0.776 121.929 121.300 -0.245 0.000 2.342 439 W HA -0.219 4.442 4.660 0.000 0.000 0.297 439 W C 2.498 179.027 176.519 0.016 0.000 1.213 439 W CA 2.072 59.365 57.345 -0.087 0.000 1.251 439 W CB -0.268 29.075 29.460 -0.196 0.000 1.136 439 W HN -0.024 nan 8.180 nan 0.000 0.526 440 T N 0.444 115.118 114.554 0.200 0.000 2.746 440 T HA -0.189 4.161 4.350 0.001 0.000 0.267 440 T C 1.973 176.742 174.700 0.114 0.000 1.039 440 T CA 1.866 64.071 62.100 0.175 0.000 1.142 440 T CB -0.886 68.142 68.868 0.266 0.000 0.866 440 T HN 0.250 nan 8.240 nan 0.000 0.444 441 A N 1.548 124.432 122.820 0.106 0.000 1.908 441 A HA 0.091 4.411 4.320 0.001 0.000 0.218 441 A C 2.648 180.251 177.584 0.031 0.000 1.181 441 A CA 1.943 54.055 52.037 0.125 0.000 0.627 441 A CB -1.153 17.994 19.000 0.245 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.445 442 A N -1.303 121.483 122.820 -0.058 0.000 1.877 442 A HA -0.179 4.141 4.320 0.001 0.000 0.216 442 A C 2.148 179.567 177.584 -0.276 0.000 1.186 442 A CA 1.656 53.613 52.037 -0.133 0.000 0.620 442 A CB -0.497 18.419 19.000 -0.138 0.000 0.822 442 A HN 0.495 nan 8.150 nan 0.000 0.443 443 Q N -1.408 118.066 119.800 -0.544 0.000 2.119 443 Q HA -0.128 4.212 4.340 0.001 0.000 0.201 443 Q C 1.260 176.894 176.000 -0.611 0.000 0.972 443 Q CA 1.442 56.793 55.803 -0.752 0.000 0.847 443 Q CB -0.287 27.630 28.738 -1.369 0.000 0.903 443 Q HN 0.880 nan 8.270 nan 0.000 0.433 444 Y N -0.023 120.146 120.300 -0.218 0.000 2.457 444 Y HA 0.103 4.653 4.550 0.001 0.000 0.263 444 Y C 0.417 176.271 175.900 -0.078 0.000 1.164 444 Y CA -0.296 57.732 58.100 -0.120 0.000 1.274 444 Y CB 0.021 38.428 38.460 -0.088 0.000 1.097 444 Y HN 0.128 nan 8.280 nan 0.000 0.523 445 N N 1.247 119.953 118.700 0.010 0.000 2.705 445 N HA -0.226 4.515 4.740 0.001 0.000 0.255 445 N C -1.124 174.413 175.510 0.045 0.000 1.008 445 N CA 0.303 53.360 53.050 0.013 0.000 0.742 445 N CB -1.273 37.210 38.487 -0.007 0.000 0.906 445 N HN 0.370 nan 8.380 nan 0.000 0.541 446 I N 1.208 121.818 120.570 0.067 0.000 2.291 446 I HA 0.226 4.396 4.170 0.001 0.000 0.292 446 I C -1.526 174.614 176.117 0.038 0.000 1.064 446 I CA -1.819 59.515 61.300 0.057 0.000 1.269 446 I CB 1.247 39.292 38.000 0.074 0.000 1.418 446 I HN 0.076 nan 8.210 nan 0.000 0.485 447 P HA 0.091 nan 4.420 nan 0.000 0.220 447 P C -0.126 177.130 177.300 -0.073 0.000 1.793 447 P CA -0.286 62.807 63.100 -0.011 0.000 0.917 447 P CB -0.427 31.265 31.700 -0.014 0.000 1.755 448 T N 1.491 115.967 114.554 -0.129 0.000 2.940 448 T HA 0.172 4.522 4.350 0.001 0.000 0.309 448 T C 0.804 175.234 174.700 -0.450 0.000 1.056 448 T CA 0.512 62.396 62.100 -0.361 0.000 1.137 448 T CB 0.520 69.045 68.868 -0.572 0.000 0.976 448 T HN 0.100 nan 8.240 nan 0.000 0.547 449 I N 3.052 123.354 120.570 -0.447 0.000 2.336 449 I HA 0.367 4.538 4.170 0.001 0.000 0.292 449 I C -0.699 175.165 176.117 -0.422 0.000 0.991 449 I CA -0.601 60.523 61.300 -0.293 0.000 1.227 449 I CB 0.847 38.770 38.000 -0.127 0.000 1.366 449 I HN 0.502 nan 8.210 nan 0.000 0.466 450 F N 5.703 125.665 119.950 0.020 0.000 2.426 450 F HA 0.438 4.965 4.527 0.001 0.000 0.348 450 F C -0.041 175.766 175.800 0.011 0.000 1.124 450 F CA -0.904 57.108 58.000 0.020 0.000 1.008 450 F CB 1.440 40.456 39.000 0.027 0.000 1.139 450 F HN 0.007 nan 8.300 nan 0.000 0.452 451 V N 5.610 125.610 119.914 0.143 0.000 2.311 451 V HA 0.315 4.435 4.120 0.001 0.000 0.275 451 V C -0.070 176.040 176.094 0.027 0.000 1.022 451 V CA -0.612 61.728 62.300 0.068 0.000 0.830 451 V CB 0.900 32.748 31.823 0.041 0.000 1.012 451 V HN 0.429 nan 8.190 nan 0.000 0.452 452 I N 6.003 126.549 120.570 -0.040 0.000 2.325 452 I HA 0.344 4.515 4.170 0.001 0.000 0.291 452 I C 0.229 176.253 176.117 -0.155 0.000 1.019 452 I CA -0.487 60.705 61.300 -0.179 0.000 1.302 452 I CB 1.363 39.099 38.000 -0.440 0.000 1.401 452 I HN 0.441 nan 8.210 nan 0.000 0.485 453 M N 5.743 125.276 119.600 -0.113 0.000 2.319 453 M HA 0.156 4.636 4.480 0.001 0.000 0.343 453 M C 0.108 176.371 176.300 -0.061 0.000 1.364 453 M CA -0.160 55.100 55.300 -0.068 0.000 1.292 453 M CB -0.575 32.014 32.600 -0.019 0.000 1.432 453 M HN 0.357 nan 8.290 nan 0.000 0.448 454 N N 3.706 122.375 118.700 -0.051 0.000 2.500 454 N HA 0.155 4.895 4.740 0.001 0.000 0.236 454 N C 0.045 175.578 175.510 0.038 0.000 1.022 454 N CA -0.114 52.940 53.050 0.005 0.000 0.935 454 N CB 0.394 38.917 38.487 0.060 0.000 1.147 454 N HN 0.455 nan 8.380 nan 0.000 0.512 455 N N 2.207 120.939 118.700 0.053 0.000 2.177 455 N HA 0.181 4.921 4.740 0.001 0.000 0.218 455 N C 0.969 176.515 175.510 0.060 0.000 1.182 455 N CA 0.170 53.252 53.050 0.053 0.000 0.882 455 N CB 0.127 38.651 38.487 0.062 0.000 1.052 455 N HN 0.460 nan 8.380 nan 0.000 0.519 456 G N -1.194 107.647 108.800 0.068 0.000 2.162 456 G HA2 -0.257 3.703 3.960 0.001 0.000 0.260 456 G HA3 -0.257 3.703 3.960 0.001 0.000 0.260 456 G C 0.007 174.911 174.900 0.006 0.000 0.976 456 G CA 0.812 45.940 45.100 0.046 0.000 0.655 456 G HN 0.779 nan 8.290 nan 0.000 0.533 457 T N -1.557 113.012 114.554 0.024 0.000 2.864 457 T HA 0.546 4.897 4.350 0.001 0.000 0.299 457 T C -1.054 173.700 174.700 0.090 0.000 1.166 457 T CA -0.579 61.529 62.100 0.015 0.000 1.007 457 T CB 0.912 69.826 68.868 0.078 0.000 1.219 457 T HN 0.271 nan 8.240 nan 0.000 0.506 458 Y N 2.629 123.018 120.300 0.147 0.000 2.570 458 Y HA 0.309 4.860 4.550 0.001 0.000 0.336 458 Y C 1.646 177.654 175.900 0.180 0.000 1.284 458 Y CA -0.548 57.654 58.100 0.170 0.000 1.761 458 Y CB -0.239 38.326 38.460 0.175 0.000 1.724 458 Y HN 0.830 nan 8.280 nan 0.000 0.455 459 G N 1.202 110.187 108.800 0.308 0.000 2.418 459 G HA2 -0.260 3.700 3.960 0.001 0.000 0.217 459 G HA3 -0.260 3.700 3.960 0.001 0.000 0.217 459 G C 1.820 176.901 174.900 0.302 0.000 1.158 459 G CA 0.855 46.112 45.100 0.262 0.000 0.771 459 G HN 0.625 nan 8.290 nan 0.000 0.545 460 A N 0.502 123.490 122.820 0.279 0.000 1.940 460 A HA 0.076 4.396 4.320 0.001 0.000 0.219 460 A C 2.419 180.247 177.584 0.406 0.000 1.176 460 A CA 1.262 53.470 52.037 0.285 0.000 0.631 460 A CB -0.336 18.787 19.000 0.205 0.000 0.814 460 A HN 0.372 nan 8.150 nan 0.000 0.446 461 L N -1.576 119.862 121.223 0.359 0.000 2.109 461 L HA -0.105 4.235 4.340 0.001 0.000 0.207 461 L C 2.832 179.911 176.870 0.348 0.000 1.086 461 L CA 1.064 56.126 54.840 0.371 0.000 0.760 461 L CB -0.485 41.749 42.059 0.292 0.000 0.910 461 L HN 0.348 nan 8.230 nan 0.000 0.437 462 R N -0.730 119.957 120.500 0.312 0.000 2.105 462 R HA -0.241 4.099 4.340 0.001 0.000 0.239 462 R C 2.123 178.566 176.300 0.237 0.000 1.135 462 R CA 2.095 58.336 56.100 0.235 0.000 0.967 462 R CB -0.432 29.997 30.300 0.216 0.000 0.861 462 R HN 0.412 nan 8.270 nan 0.000 0.442 463 W N 0.504 121.899 121.300 0.158 0.000 2.354 463 W HA -0.261 4.400 4.660 0.001 0.000 0.315 463 W C 1.899 178.528 176.519 0.182 0.000 1.206 463 W CA 1.372 58.807 57.345 0.149 0.000 1.290 463 W CB -0.519 29.032 29.460 0.151 0.000 1.152 463 W HN 0.020 nan 8.180 nan 0.000 0.489 464 F N 1.401 121.524 119.950 0.288 0.000 2.171 464 F HA -0.083 4.445 4.527 0.001 0.000 0.300 464 F C 2.199 177.937 175.800 -0.103 0.000 1.090 464 F CA 2.063 60.085 58.000 0.037 0.000 1.293 464 F CB -1.137 38.025 39.000 0.268 0.000 1.013 464 F HN -0.050 nan 8.300 nan 0.000 0.486 465 A N 0.229 122.965 122.820 -0.140 0.000 1.940 465 A HA -0.061 4.259 4.320 0.001 0.000 0.219 465 A C 2.527 179.947 177.584 -0.274 0.000 1.176 465 A CA 1.661 53.550 52.037 -0.245 0.000 0.631 465 A CB -1.756 17.205 19.000 -0.065 0.000 0.814 465 A HN 0.487 nan 8.150 nan 0.000 0.446 466 G N -0.308 108.341 108.800 -0.253 0.000 2.408 466 G HA2 -0.080 3.880 3.960 0.001 0.000 0.217 466 G HA3 -0.080 3.880 3.960 0.001 0.000 0.217 466 G C 1.576 176.254 174.900 -0.371 0.000 1.150 466 G CA 1.554 46.488 45.100 -0.276 0.000 0.776 466 G HN 1.042 nan 8.290 nan 0.000 0.542 467 V N -0.826 118.763 119.914 -0.543 0.000 2.809 467 V HA 0.127 4.247 4.120 0.001 0.000 0.256 467 V C 2.372 178.268 176.094 -0.330 0.000 1.080 467 V CA 1.146 63.171 62.300 -0.459 0.000 1.102 467 V CB -0.354 31.185 31.823 -0.474 0.000 0.705 467 V HN 0.314 nan 8.190 nan 0.000 0.475 468 L N -0.025 120.938 121.223 -0.434 0.000 2.554 468 L HA 0.208 4.548 4.340 0.001 0.000 0.226 468 L C 1.324 178.059 176.870 -0.225 0.000 1.137 468 L CA 0.696 55.323 54.840 -0.355 0.000 0.863 468 L CB -0.860 40.896 42.059 -0.506 0.000 0.985 468 L HN 0.427 nan 8.230 nan 0.000 0.451 469 E N -0.369 119.707 120.200 -0.206 0.000 2.440 469 E HA -0.230 4.120 4.350 0.001 0.000 0.246 469 E C 0.358 176.883 176.600 -0.125 0.000 1.165 469 E CA 0.240 56.554 56.400 -0.143 0.000 0.726 469 E CB -1.157 28.479 29.700 -0.106 0.000 1.271 469 E HN 0.518 nan 8.360 nan 0.000 0.397 470 A N 1.379 124.106 122.820 -0.155 0.000 2.347 470 A HA 0.355 4.675 4.320 0.001 0.000 0.287 470 A C 0.231 177.767 177.584 -0.080 0.000 1.199 470 A CA -0.072 51.892 52.037 -0.122 0.000 0.851 470 A CB 0.421 19.324 19.000 -0.162 0.000 1.118 470 A HN 0.230 nan 8.150 nan 0.000 0.525 471 E N 1.592 121.759 120.200 -0.054 0.000 2.232 471 E HA 0.369 4.719 4.350 0.001 0.000 0.265 471 E C -0.177 176.411 176.600 -0.019 0.000 1.001 471 E CA -0.926 55.454 56.400 -0.033 0.000 0.870 471 E CB 0.615 30.298 29.700 -0.028 0.000 1.175 471 E HN 0.658 nan 8.360 nan 0.000 0.407 472 N N -0.286 118.410 118.700 -0.007 0.000 2.740 472 N HA -0.155 4.585 4.740 0.001 0.000 0.248 472 N C -1.145 174.371 175.510 0.011 0.000 1.062 472 N CA 0.402 53.454 53.050 0.003 0.000 0.704 472 N CB -1.294 37.194 38.487 0.000 0.000 0.968 472 N HN 0.111 nan 8.380 nan 0.000 0.547 473 V N 1.848 121.771 119.914 0.016 0.000 2.432 473 V HA 0.298 4.418 4.120 0.001 0.000 0.271 473 V C -0.860 175.265 176.094 0.052 0.000 1.046 473 V CA -0.907 61.413 62.300 0.033 0.000 0.945 473 V CB 1.159 33.004 31.823 0.036 0.000 0.992 473 V HN 0.142 nan 8.190 nan 0.000 0.471 474 P HA 0.411 nan 4.420 nan 0.000 0.278 474 P C 0.611 177.970 177.300 0.098 0.000 1.266 474 P CA 0.263 63.402 63.100 0.065 0.000 0.807 474 P CB 1.178 32.911 31.700 0.054 0.000 1.094 475 G N 0.025 108.887 108.800 0.103 0.000 2.147 475 G HA2 -0.220 3.741 3.960 0.001 0.000 0.244 475 G HA3 -0.220 3.741 3.960 0.001 0.000 0.244 475 G C 0.467 175.507 174.900 0.233 0.000 1.005 475 G CA 0.298 45.488 45.100 0.150 0.000 0.713 475 G HN 0.476 nan 8.290 nan 0.000 0.515 476 L N -0.476 120.859 121.223 0.186 0.000 2.585 476 L HA 0.303 4.643 4.340 0.001 0.000 0.226 476 L C 0.213 177.137 176.870 0.089 0.000 1.113 476 L CA 0.003 54.998 54.840 0.259 0.000 0.876 476 L CB 0.082 42.269 42.059 0.212 0.000 1.072 476 L HN 0.093 nan 8.230 nan 0.000 0.468 477 D N 0.589 120.983 120.400 -0.009 0.000 2.248 477 D HA 0.335 4.975 4.640 0.001 0.000 0.246 477 D C 0.041 176.232 176.300 -0.183 0.000 1.027 477 D CA -0.089 53.860 54.000 -0.086 0.000 0.853 477 D CB 3.111 43.900 40.800 -0.020 0.000 1.243 477 D HN -0.187 nan 8.370 nan 0.000 0.462 478 V N -0.862 118.925 119.914 -0.212 0.000 2.562 478 V HA 0.339 4.459 4.120 0.001 0.000 0.274 478 V C -2.518 173.530 176.094 -0.078 0.000 1.075 478 V CA -1.398 60.787 62.300 -0.192 0.000 1.204 478 V CB 0.423 32.057 31.823 -0.314 0.000 1.478 478 V HN 0.307 nan 8.190 nan 0.000 0.622 479 P HA 0.400 nan 4.420 nan 0.000 0.272 479 P C 0.852 178.127 177.300 -0.042 0.000 1.230 479 P CA 1.280 64.363 63.100 -0.027 0.000 0.788 479 P CB 1.326 33.014 31.700 -0.020 0.000 0.949 480 G N 0.638 109.415 108.800 -0.039 0.000 2.142 480 G HA2 -0.168 3.792 3.960 0.001 0.000 0.225 480 G HA3 -0.168 3.792 3.960 0.001 0.000 0.225 480 G C -0.179 174.652 174.900 -0.116 0.000 1.015 480 G CA -0.255 44.808 45.100 -0.062 0.000 0.716 480 G HN 0.489 nan 8.290 nan 0.000 0.508 481 I N 0.761 121.232 120.570 -0.166 0.000 2.362 481 I HA 0.348 4.519 4.170 0.001 0.000 0.289 481 I C -0.655 175.203 176.117 -0.432 0.000 0.994 481 I CA -0.840 60.230 61.300 -0.384 0.000 1.158 481 I CB 1.778 39.431 38.000 -0.579 0.000 1.315 481 I HN 0.042 nan 8.210 nan 0.000 0.451 482 D N 6.157 126.329 120.400 -0.381 0.000 2.443 482 D HA 0.225 4.865 4.640 0.001 0.000 0.221 482 D C 0.401 176.545 176.300 -0.261 0.000 1.097 482 D CA -0.316 53.554 54.000 -0.218 0.000 0.865 482 D CB 0.623 41.355 40.800 -0.112 0.000 1.034 482 D HN 0.294 nan 8.370 nan 0.000 0.511 483 F N 2.066 122.023 119.950 0.012 0.000 2.407 483 F HA 0.093 4.620 4.527 0.001 0.000 0.299 483 F C 2.352 178.163 175.800 0.019 0.000 1.097 483 F CA 0.372 58.384 58.000 0.019 0.000 1.422 483 F CB 0.044 39.063 39.000 0.031 0.000 1.067 483 F HN 0.260 nan 8.300 nan 0.000 0.539 484 R N 0.132 120.726 120.500 0.157 0.000 2.092 484 R HA -0.099 4.241 4.340 0.001 0.000 0.231 484 R C 2.450 178.776 176.300 0.045 0.000 1.119 484 R CA 1.188 57.345 56.100 0.096 0.000 0.970 484 R CB -0.731 29.612 30.300 0.072 0.000 0.864 484 R HN 0.278 nan 8.270 nan 0.000 0.440 485 A N 1.299 124.120 122.820 0.003 0.000 1.898 485 A HA -0.097 4.224 4.320 0.001 0.000 0.216 485 A C 2.184 179.739 177.584 -0.048 0.000 1.181 485 A CA 1.020 53.037 52.037 -0.033 0.000 0.620 485 A CB -0.461 18.502 19.000 -0.062 0.000 0.819 485 A HN 0.153 nan 8.150 nan 0.000 0.442 486 L N -0.762 120.435 121.223 -0.044 0.000 2.046 486 L HA -0.204 4.136 4.340 0.001 0.000 0.208 486 L C 3.106 179.999 176.870 0.039 0.000 1.077 486 L CA 1.100 55.923 54.840 -0.028 0.000 0.747 486 L CB -0.618 41.452 42.059 0.018 0.000 0.896 486 L HN 0.439 nan 8.230 nan 0.000 0.432 487 A N 0.209 123.080 122.820 0.084 0.000 1.902 487 A HA -0.262 4.058 4.320 0.001 0.000 0.217 487 A C 2.408 180.038 177.584 0.077 0.000 1.181 487 A CA 2.011 54.109 52.037 0.101 0.000 0.623 487 A CB -0.485 18.575 19.000 0.099 0.000 0.818 487 A HN 0.343 nan 8.150 nan 0.000 0.443 488 K N -0.560 119.862 120.400 0.037 0.000 2.063 488 K HA -0.142 4.178 4.320 0.001 0.000 0.208 488 K C 2.025 178.617 176.600 -0.012 0.000 1.048 488 K CA 1.563 57.860 56.287 0.017 0.000 0.928 488 K CB -0.629 31.871 32.500 -0.000 0.000 0.713 488 K HN 0.380 nan 8.250 nan 0.000 0.442 489 G N -0.249 108.497 108.800 -0.090 0.000 2.469 489 G HA2 -0.243 3.717 3.960 0.001 0.000 0.220 489 G HA3 -0.243 3.717 3.960 0.001 0.000 0.220 489 G C 0.770 175.530 174.900 -0.232 0.000 1.136 489 G CA 0.945 45.904 45.100 -0.235 0.000 0.759 489 G HN 0.367 nan 8.290 nan 0.000 0.562 490 Y N 0.143 120.503 120.300 0.100 0.000 2.524 490 Y HA 0.401 4.951 4.550 0.001 0.000 0.266 490 Y C 1.876 177.863 175.900 0.144 0.000 1.180 490 Y CA -0.718 57.497 58.100 0.191 0.000 1.244 490 Y CB 0.278 38.847 38.460 0.182 0.000 1.125 490 Y HN 0.294 nan 8.280 nan 0.000 0.524 491 G N 0.162 109.074 108.800 0.187 0.000 2.136 491 G HA2 -0.228 3.732 3.960 0.001 0.000 0.242 491 G HA3 -0.228 3.732 3.960 0.001 0.000 0.242 491 G C -0.368 174.577 174.900 0.075 0.000 0.989 491 G CA 0.178 45.340 45.100 0.103 0.000 0.682 491 G HN 0.109 nan 8.290 nan 0.000 0.522 492 V N 1.004 120.977 119.914 0.098 0.000 2.427 492 V HA 0.448 4.568 4.120 0.001 0.000 0.286 492 V C 0.920 177.065 176.094 0.085 0.000 1.034 492 V CA -0.519 61.837 62.300 0.094 0.000 0.893 492 V CB 1.811 33.700 31.823 0.109 0.000 0.982 492 V HN 0.537 nan 8.190 nan 0.000 0.452 493 Q N 2.823 122.669 119.800 0.078 0.000 2.304 493 Q HA 0.368 4.708 4.340 0.001 0.000 0.301 493 Q C -0.238 175.812 176.000 0.083 0.000 1.063 493 Q CA 0.181 56.025 55.803 0.068 0.000 0.947 493 Q CB 0.688 29.461 28.738 0.058 0.000 1.201 493 Q HN 0.937 nan 8.270 nan 0.000 0.389 494 A N 5.147 128.009 122.820 0.070 0.000 2.371 494 A HA 0.741 5.062 4.320 0.001 0.000 0.311 494 A C -1.380 176.243 177.584 0.064 0.000 1.068 494 A CA -0.727 51.357 52.037 0.078 0.000 0.744 494 A CB 1.076 20.121 19.000 0.076 0.000 1.239 494 A HN 0.738 nan 8.150 nan 0.000 0.435 495 L N 0.903 122.167 121.223 0.068 0.000 2.350 495 L HA 0.652 4.992 4.340 0.001 0.000 0.260 495 L C -0.152 176.752 176.870 0.057 0.000 1.015 495 L CA -0.756 54.117 54.840 0.054 0.000 0.821 495 L CB 2.459 44.547 42.059 0.048 0.000 1.370 495 L HN 0.747 nan 8.230 nan 0.000 0.416 496 K N 0.838 121.266 120.400 0.046 0.000 2.318 496 K HA 0.843 5.163 4.320 0.001 0.000 0.249 496 K C -1.350 175.269 176.600 0.031 0.000 0.942 496 K CA -0.608 55.706 56.287 0.045 0.000 0.808 496 K CB 2.210 34.736 32.500 0.045 0.000 1.189 496 K HN 0.705 nan 8.250 nan 0.000 0.428 497 A N 3.207 126.042 122.820 0.024 0.000 2.466 497 A HA 0.286 4.606 4.320 0.001 0.000 0.291 497 A C -0.768 176.821 177.584 0.008 0.000 1.234 497 A CA -0.583 51.462 52.037 0.013 0.000 0.752 497 A CB 0.585 19.589 19.000 0.005 0.000 1.153 497 A HN 0.807 nan 8.150 nan 0.000 0.458 498 D N 0.967 121.372 120.400 0.009 0.000 2.367 498 D HA 0.071 4.711 4.640 0.001 0.000 0.207 498 D C 0.170 176.468 176.300 -0.002 0.000 1.034 498 D CA 1.003 55.006 54.000 0.005 0.000 0.861 498 D CB 0.442 41.248 40.800 0.009 0.000 0.943 498 D HN 0.781 nan 8.370 nan 0.000 0.515 499 N N -1.181 117.519 118.700 -0.001 0.000 3.106 499 N HA 0.061 4.801 4.740 0.001 0.000 0.253 499 N C 0.181 175.692 175.510 0.002 0.000 1.506 499 N CA -0.723 52.327 53.050 -0.001 0.000 0.876 499 N CB 0.962 39.451 38.487 0.004 0.000 1.452 499 N HN -0.213 nan 8.380 nan 0.000 0.542 500 L N 0.235 121.462 121.223 0.007 0.000 2.093 500 L HA 0.012 4.352 4.340 0.001 0.000 0.208 500 L C 2.162 179.038 176.870 0.011 0.000 1.085 500 L CA 2.276 57.122 54.840 0.010 0.000 0.755 500 L CB -1.007 41.063 42.059 0.019 0.000 0.904 500 L HN 0.910 nan 8.230 nan 0.000 0.435 501 E N -0.977 119.230 120.200 0.012 0.000 2.058 501 E HA -0.315 4.035 4.350 0.001 0.000 0.194 501 E C 1.993 178.599 176.600 0.011 0.000 0.997 501 E CA 1.817 58.224 56.400 0.012 0.000 0.801 501 E CB -0.582 29.125 29.700 0.012 0.000 0.746 501 E HN 0.701 nan 8.360 nan 0.000 0.450 502 Q N -0.005 119.801 119.800 0.011 0.000 2.167 502 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 502 Q C 2.313 178.320 176.000 0.011 0.000 0.970 502 Q CA 1.121 56.931 55.803 0.012 0.000 0.855 502 Q CB -0.107 28.638 28.738 0.012 0.000 0.911 502 Q HN 0.320 nan 8.270 nan 0.000 0.438 503 L N 1.295 122.522 121.223 0.007 0.000 2.046 503 L HA -0.193 4.147 4.340 0.001 0.000 0.208 503 L C 1.798 178.674 176.870 0.009 0.000 1.077 503 L CA 1.877 56.720 54.840 0.005 0.000 0.747 503 L CB -0.168 41.888 42.059 -0.004 0.000 0.896 503 L HN -0.029 nan 8.230 nan 0.000 0.432 504 K N -0.706 119.701 120.400 0.011 0.000 2.057 504 K HA -0.050 4.270 4.320 0.001 0.000 0.206 504 K C 2.030 178.639 176.600 0.014 0.000 1.050 504 K CA 1.140 57.435 56.287 0.014 0.000 0.935 504 K CB -0.713 31.795 32.500 0.014 0.000 0.715 504 K HN 0.534 nan 8.250 nan 0.000 0.439 505 G N 0.704 109.513 108.800 0.014 0.000 2.418 505 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 505 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 505 G C 1.556 176.466 174.900 0.016 0.000 1.158 505 G CA 0.890 45.998 45.100 0.014 0.000 0.771 505 G HN 0.177 nan 8.290 nan 0.000 0.545 506 S N 0.324 116.035 115.700 0.017 0.000 2.368 506 S HA 0.012 4.482 4.470 0.001 0.000 0.225 506 S C 2.306 176.919 174.600 0.021 0.000 1.030 506 S CA 0.747 58.960 58.200 0.021 0.000 0.999 506 S CB -0.226 62.988 63.200 0.023 0.000 0.844 506 S HN 0.298 nan 8.310 nan 0.000 0.459 507 L N 1.286 122.521 121.223 0.019 0.000 2.093 507 L HA -0.145 4.196 4.340 0.001 0.000 0.208 507 L C 2.801 179.680 176.870 0.015 0.000 1.085 507 L CA 1.247 56.099 54.840 0.019 0.000 0.755 507 L CB -0.466 41.606 42.059 0.021 0.000 0.904 507 L HN 0.398 nan 8.230 nan 0.000 0.435 508 Q N 0.409 120.218 119.800 0.015 0.000 2.084 508 Q HA -0.297 4.043 4.340 0.001 0.000 0.202 508 Q C 2.086 178.092 176.000 0.011 0.000 0.978 508 Q CA 2.111 57.921 55.803 0.012 0.000 0.844 508 Q CB 0.009 28.754 28.738 0.012 0.000 0.898 508 Q HN 0.500 nan 8.270 nan 0.000 0.426 509 E N -0.276 119.932 120.200 0.014 0.000 2.051 509 E HA -0.202 4.148 4.350 0.001 0.000 0.192 509 E C 1.825 178.434 176.600 0.015 0.000 0.991 509 E CA 1.293 57.702 56.400 0.015 0.000 0.799 509 E CB -0.247 29.464 29.700 0.018 0.000 0.748 509 E HN 0.468 nan 8.360 nan 0.000 0.449 510 A N 0.808 123.638 122.820 0.017 0.000 1.902 510 A HA -0.138 4.182 4.320 0.001 0.000 0.217 510 A C 2.221 179.807 177.584 0.002 0.000 1.181 510 A CA 1.240 53.286 52.037 0.015 0.000 0.623 510 A CB -0.713 18.299 19.000 0.018 0.000 0.818 510 A HN 0.355 nan 8.150 nan 0.000 0.443 511 L N -0.488 120.735 121.223 -0.000 0.000 2.275 511 L HA -0.095 4.245 4.340 0.001 0.000 0.215 511 L C 2.098 178.963 176.870 -0.008 0.000 1.119 511 L CA 1.197 56.031 54.840 -0.009 0.000 0.790 511 L CB -0.094 41.962 42.059 -0.006 0.000 0.919 511 L HN 0.288 nan 8.230 nan 0.000 0.443 512 S N -0.795 114.904 115.700 -0.001 0.000 2.556 512 S HA 0.286 4.756 4.470 0.001 0.000 0.216 512 S C 0.849 175.450 174.600 0.001 0.000 0.970 512 S CA -0.080 58.120 58.200 -0.001 0.000 0.912 512 S CB 0.163 63.364 63.200 0.002 0.000 0.790 512 S HN 0.336 nan 8.310 nan 0.000 0.504 513 A N 1.539 124.361 122.820 0.003 0.000 2.346 513 A HA 0.409 4.729 4.320 0.001 0.000 0.252 513 A C 0.951 178.537 177.584 0.003 0.000 1.089 513 A CA -0.085 51.956 52.037 0.007 0.000 0.797 513 A CB 0.356 19.365 19.000 0.015 0.000 1.047 513 A HN 0.064 nan 8.150 nan 0.000 0.494 514 K N 0.152 120.556 120.400 0.006 0.000 2.358 514 K HA 0.226 4.547 4.320 0.001 0.000 0.197 514 K C 0.629 177.232 176.600 0.006 0.000 1.025 514 K CA 0.826 57.115 56.287 0.003 0.000 1.104 514 K CB 0.498 32.998 32.500 0.002 0.000 0.855 514 K HN 0.792 nan 8.250 nan 0.000 0.531 515 G N 1.572 110.379 108.800 0.012 0.000 2.766 515 G HA2 0.443 4.403 3.960 0.001 0.000 0.288 515 G HA3 0.443 4.403 3.960 0.001 0.000 0.288 515 G C -3.033 171.890 174.900 0.038 0.000 1.408 515 G CA -1.220 43.893 45.100 0.022 0.000 0.852 515 G HN -0.247 nan 8.290 nan 0.000 0.487 516 P HA 0.386 nan 4.420 nan 0.000 0.272 516 P C -0.753 176.634 177.300 0.146 0.000 1.223 516 P CA -0.129 63.046 63.100 0.125 0.000 0.784 516 P CB 1.652 33.491 31.700 0.232 0.000 0.923 517 V N 3.314 123.332 119.914 0.173 0.000 2.760 517 V HA 0.377 4.497 4.120 0.001 0.000 0.309 517 V C -0.059 176.191 176.094 0.260 0.000 1.077 517 V CA -0.792 61.607 62.300 0.164 0.000 0.910 517 V CB 2.165 34.040 31.823 0.087 0.000 1.008 517 V HN 0.462 nan 8.190 nan 0.000 0.424 518 L N 5.377 126.736 121.223 0.226 0.000 2.322 518 L HA 0.713 5.053 4.340 0.001 0.000 0.281 518 L C -1.071 175.883 176.870 0.141 0.000 1.014 518 L CA -0.306 54.671 54.840 0.229 0.000 0.815 518 L CB 1.271 43.434 42.059 0.174 0.000 1.247 518 L HN 0.610 nan 8.230 nan 0.000 0.421 519 I N 4.632 125.272 120.570 0.117 0.000 2.382 519 I HA 0.316 4.486 4.170 0.001 0.000 0.286 519 I C -0.308 175.839 176.117 0.051 0.000 1.002 519 I CA -0.427 60.916 61.300 0.073 0.000 1.135 519 I CB 1.738 39.769 38.000 0.051 0.000 1.288 519 I HN 0.616 nan 8.210 nan 0.000 0.448 520 E N 6.568 126.803 120.200 0.058 0.000 2.152 520 E HA 0.379 4.730 4.350 0.001 0.000 0.285 520 E C -1.303 175.311 176.600 0.023 0.000 1.043 520 E CA -0.507 55.918 56.400 0.042 0.000 0.839 520 E CB 1.179 30.957 29.700 0.130 0.000 1.069 520 E HN 0.374 nan 8.360 nan 0.000 0.399 521 V N 3.773 123.679 119.914 -0.013 0.000 2.435 521 V HA 0.162 4.282 4.120 0.001 0.000 0.290 521 V C 0.224 176.309 176.094 -0.014 0.000 1.030 521 V CA -0.732 61.557 62.300 -0.018 0.000 0.881 521 V CB 1.615 33.411 31.823 -0.045 0.000 0.983 521 V HN 0.605 nan 8.190 nan 0.000 0.445 522 S N 3.755 119.451 115.700 -0.005 0.000 2.400 522 S HA 0.416 4.887 4.470 0.001 0.000 0.295 522 S C 0.340 174.923 174.600 -0.028 0.000 1.113 522 S CA -0.471 57.727 58.200 -0.003 0.000 1.064 522 S CB -0.028 63.174 63.200 0.004 0.000 0.990 522 S HN 1.002 nan 8.310 nan 0.000 0.502 523 T N 1.183 115.721 114.554 -0.027 0.000 2.945 523 T HA 0.615 4.966 4.350 0.001 0.000 0.286 523 T C 0.352 175.024 174.700 -0.046 0.000 1.025 523 T CA -0.948 61.123 62.100 -0.047 0.000 1.039 523 T CB 1.050 69.898 68.868 -0.034 0.000 1.068 523 T HN 0.535 nan 8.240 nan 0.000 0.497 524 V N 0.629 120.488 119.914 -0.092 0.000 2.673 524 V HA 0.408 4.528 4.120 0.001 0.000 0.303 524 V C 0.515 176.608 176.094 -0.002 0.000 1.046 524 V CA -0.437 61.808 62.300 -0.091 0.000 1.126 524 V CB 0.188 31.883 31.823 -0.214 0.000 0.934 524 V HN 0.983 nan 8.190 nan 0.000 0.487 525 S N 0.000 115.709 115.700 0.016 0.000 2.498 525 S HA 0.000 4.470 4.470 0.001 0.000 0.327 525 S CA 0.000 58.230 58.200 0.050 0.000 1.107 525 S CB 0.000 63.226 63.200 0.044 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517