REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mcz_1_B DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.672 177.584 0.147 0.000 1.274 2 A CA 0.000 52.114 52.037 0.129 0.000 0.836 2 A CB 0.000 19.096 19.000 0.160 0.000 0.831 3 S N -0.575 115.234 115.700 0.181 0.000 2.687 3 S HA 0.536 5.010 4.470 0.006 0.000 0.283 3 S C 0.994 175.760 174.600 0.276 0.000 1.170 3 S CA 0.027 58.356 58.200 0.215 0.000 1.008 3 S CB 1.150 64.494 63.200 0.239 0.000 1.026 3 S HN 1.444 nan 8.310 nan 0.000 0.541 4 V N 1.608 121.693 119.914 0.285 0.000 2.392 4 V HA -0.202 3.921 4.120 0.006 0.000 0.249 4 V C 2.543 178.948 176.094 0.517 0.000 1.059 4 V CA 2.276 64.761 62.300 0.308 0.000 1.051 4 V CB -1.424 30.509 31.823 0.183 0.000 0.658 4 V HN 1.036 nan 8.190 nan 0.000 0.455 5 H N 0.863 120.249 119.070 0.526 0.000 2.253 5 H HA -0.160 4.400 4.556 0.007 0.000 0.296 5 H C 2.333 177.901 175.328 0.399 0.000 1.074 5 H CA 2.321 58.697 56.048 0.547 0.000 1.263 5 H CB -0.553 29.433 29.762 0.374 0.000 1.363 5 H HN 0.399 nan 8.280 nan 0.000 0.489 6 G N -0.427 108.647 108.800 0.457 0.000 2.446 6 G HA2 -0.281 3.682 3.960 0.006 0.000 0.217 6 G HA3 -0.281 3.682 3.960 0.006 0.000 0.217 6 G C 1.821 176.864 174.900 0.239 0.000 1.168 6 G CA 1.588 46.869 45.100 0.301 0.000 0.771 6 G HN 0.477 nan 8.290 nan 0.000 0.551 7 T N 0.884 115.610 114.554 0.287 0.000 2.788 7 T HA -0.116 4.238 4.350 0.006 0.000 0.268 7 T C 2.619 177.520 174.700 0.335 0.000 1.044 7 T CA 1.792 64.103 62.100 0.352 0.000 1.139 7 T CB -0.470 68.602 68.868 0.341 0.000 0.867 7 T HN 0.313 nan 8.240 nan 0.000 0.454 8 T N 0.818 115.536 114.554 0.273 0.000 2.737 8 T HA -0.057 4.297 4.350 0.006 0.000 0.265 8 T C 1.637 176.333 174.700 -0.006 0.000 1.038 8 T CA 1.088 63.303 62.100 0.192 0.000 1.144 8 T CB -0.524 68.528 68.868 0.306 0.000 0.866 8 T HN 0.441 nan 8.240 nan 0.000 0.434 9 Y N 1.222 121.464 120.300 -0.097 0.000 2.274 9 Y HA -0.096 4.457 4.550 0.005 0.000 0.290 9 Y C 2.647 178.479 175.900 -0.112 0.000 1.145 9 Y CA 1.139 59.066 58.100 -0.288 0.000 1.203 9 Y CB -0.122 37.994 38.460 -0.573 0.000 0.984 9 Y HN 0.177 nan 8.280 nan 0.000 0.533 10 E N 0.533 120.750 120.200 0.029 0.000 2.047 10 E HA -0.189 4.164 4.350 0.006 0.000 0.191 10 E C 2.020 178.486 176.600 -0.223 0.000 0.987 10 E CA 1.010 57.297 56.400 -0.188 0.000 0.799 10 E CB -0.546 28.885 29.700 -0.448 0.000 0.752 10 E HN 0.349 nan 8.360 nan 0.000 0.449 11 L N 0.285 121.524 121.223 0.026 0.000 2.012 11 L HA -0.127 4.217 4.340 0.006 0.000 0.210 11 L C 2.170 179.117 176.870 0.128 0.000 1.073 11 L CA 1.732 56.718 54.840 0.243 0.000 0.748 11 L CB -0.654 41.629 42.059 0.373 0.000 0.891 11 L HN 0.279 nan 8.230 nan 0.000 0.431 12 L N -0.301 120.980 121.223 0.095 0.000 1.989 12 L HA -0.251 4.093 4.340 0.006 0.000 0.211 12 L C 2.911 179.858 176.870 0.128 0.000 1.071 12 L CA 2.125 57.027 54.840 0.104 0.000 0.749 12 L CB -0.733 41.365 42.059 0.065 0.000 0.890 12 L HN 0.426 nan 8.230 nan 0.000 0.431 13 R N -0.336 120.277 120.500 0.190 0.000 2.075 13 R HA -0.114 4.229 4.340 0.006 0.000 0.232 13 R C 2.235 178.525 176.300 -0.016 0.000 1.126 13 R CA 0.849 56.967 56.100 0.030 0.000 0.963 13 R CB -0.495 29.846 30.300 0.068 0.000 0.858 13 R HN 0.189 nan 8.270 nan 0.000 0.435 14 R N 0.654 121.146 120.500 -0.013 0.000 2.193 14 R HA -0.010 4.334 4.340 0.006 0.000 0.229 14 R C 1.442 177.773 176.300 0.052 0.000 1.110 14 R CA 0.879 56.981 56.100 0.003 0.000 0.988 14 R CB -0.113 30.183 30.300 -0.007 0.000 0.871 14 R HN 0.430 nan 8.270 nan 0.000 0.458 15 Q N -0.602 119.230 119.800 0.054 0.000 2.246 15 Q HA 0.151 4.495 4.340 0.006 0.000 0.202 15 Q C 0.714 176.728 176.000 0.023 0.000 0.883 15 Q CA 0.419 56.250 55.803 0.046 0.000 0.952 15 Q CB 0.958 29.714 28.738 0.031 0.000 1.078 15 Q HN 0.530 nan 8.270 nan 0.000 0.493 16 G N 1.096 109.898 108.800 0.003 0.000 2.176 16 G HA2 -0.261 3.703 3.960 0.006 0.000 0.253 16 G HA3 -0.261 3.703 3.960 0.006 0.000 0.253 16 G C 0.246 175.124 174.900 -0.036 0.000 0.979 16 G CA -0.093 44.997 45.100 -0.017 0.000 0.641 16 G HN 0.352 nan 8.290 nan 0.000 0.530 17 I N 1.567 122.114 120.570 -0.038 0.000 2.395 17 I HA 0.444 4.617 4.170 0.006 0.000 0.289 17 I C 0.688 176.599 176.117 -0.343 0.000 1.023 17 I CA 0.176 61.450 61.300 -0.043 0.000 1.350 17 I CB 1.324 39.367 38.000 0.072 0.000 1.409 17 I HN 0.252 nan 8.210 nan 0.000 0.507 18 D N 1.482 121.657 120.400 -0.374 0.000 2.530 18 D HA 0.076 4.720 4.640 0.006 0.000 0.253 18 D C -0.119 175.960 176.300 -0.368 0.000 1.338 18 D CA -0.039 53.471 54.000 -0.817 0.000 0.806 18 D CB 0.468 40.937 40.800 -0.552 0.000 1.160 18 D HN 0.282 nan 8.370 nan 0.000 0.514 19 T N 0.239 114.739 114.554 -0.090 0.000 2.861 19 T HA 0.591 4.944 4.350 0.006 0.000 0.287 19 T C -0.830 173.877 174.700 0.013 0.000 1.003 19 T CA -0.604 61.425 62.100 -0.117 0.000 0.977 19 T CB 2.540 71.171 68.868 -0.395 0.000 0.996 19 T HN -0.117 nan 8.240 nan 0.000 0.448 20 V N 3.899 123.813 119.914 -0.000 0.000 2.378 20 V HA 0.510 4.634 4.120 0.006 0.000 0.288 20 V C -1.024 174.839 176.094 -0.385 0.000 1.016 20 V CA -0.851 61.559 62.300 0.182 0.000 0.840 20 V CB 0.741 32.908 31.823 0.574 0.000 0.994 20 V HN 0.797 nan 8.190 nan 0.000 0.431 21 F N 3.247 123.148 119.950 -0.082 0.000 2.415 21 F HA 0.848 5.378 4.527 0.006 0.000 0.348 21 F C 0.881 176.550 175.800 -0.218 0.000 1.119 21 F CA -0.069 57.781 58.000 -0.251 0.000 1.069 21 F CB 1.866 40.777 39.000 -0.148 0.000 1.124 21 F HN 0.662 nan 8.300 nan 0.000 0.472 22 G N 2.217 110.896 108.800 -0.201 0.000 2.488 22 G HA2 0.271 4.235 3.960 0.006 0.000 0.301 22 G HA3 0.271 4.235 3.960 0.006 0.000 0.301 22 G C -2.234 172.752 174.900 0.144 0.000 1.339 22 G CA -0.914 44.198 45.100 0.021 0.000 0.803 22 G HN 0.520 nan 8.290 nan 0.000 0.482 23 N N 1.120 119.954 118.700 0.224 0.000 2.549 23 N HA 0.380 5.124 4.740 0.006 0.000 0.281 23 N C -2.795 172.836 175.510 0.201 0.000 1.084 23 N CA -1.168 52.006 53.050 0.206 0.000 0.862 23 N CB 3.068 41.633 38.487 0.129 0.000 1.333 23 N HN 0.373 nan 8.380 nan 0.000 0.523 24 P HA 0.242 nan 4.420 nan 0.000 0.269 24 P C -0.172 177.096 177.300 -0.053 0.000 1.217 24 P CA 0.194 63.343 63.100 0.082 0.000 0.783 24 P CB 1.250 32.944 31.700 -0.009 0.000 0.898 25 G N -0.605 108.135 108.800 -0.100 0.000 2.660 25 G HA2 0.361 4.325 3.960 0.006 0.000 0.290 25 G HA3 0.361 4.325 3.960 0.006 0.000 0.290 25 G C 0.738 175.545 174.900 -0.155 0.000 1.432 25 G CA 0.049 44.866 45.100 -0.471 0.000 0.807 25 G HN 0.427 nan 8.290 nan 0.000 0.485 26 S N 0.162 115.766 115.700 -0.159 0.000 2.370 26 S HA -0.168 4.306 4.470 0.006 0.000 0.226 26 S C 1.744 176.309 174.600 -0.058 0.000 1.033 26 S CA 1.737 59.886 58.200 -0.084 0.000 1.011 26 S CB -0.306 62.839 63.200 -0.091 0.000 0.852 26 S HN 0.439 nan 8.310 nan 0.000 0.457 27 N N 1.963 120.768 118.700 0.174 0.000 2.443 27 N HA -0.025 4.718 4.740 0.006 0.000 0.184 27 N C 1.119 176.809 175.510 0.300 0.000 1.037 27 N CA 1.287 54.480 53.050 0.240 0.000 0.896 27 N CB -0.329 38.353 38.487 0.325 0.000 0.959 27 N HN 0.633 nan 8.380 nan 0.000 0.442 28 E N -0.485 119.870 120.200 0.258 0.000 2.460 28 E HA 0.210 4.564 4.350 0.006 0.000 0.200 28 E C 1.772 178.493 176.600 0.200 0.000 1.011 28 E CA -0.154 56.419 56.400 0.288 0.000 0.912 28 E CB 0.049 29.930 29.700 0.301 0.000 0.953 28 E HN 0.219 nan 8.360 nan 0.000 0.494 29 L N 1.037 122.309 121.223 0.082 0.000 2.013 29 L HA -0.144 4.200 4.340 0.006 0.000 0.212 29 L C -0.647 176.248 176.870 0.043 0.000 1.073 29 L CA 1.520 56.367 54.840 0.012 0.000 0.753 29 L CB -1.413 40.614 42.059 -0.055 0.000 0.890 29 L HN 0.139 nan 8.230 nan 0.000 0.432 30 P HA -0.206 nan 4.420 nan 0.000 0.221 30 P C 1.323 178.696 177.300 0.122 0.000 1.145 30 P CA 1.323 64.544 63.100 0.202 0.000 0.795 30 P CB 0.003 31.978 31.700 0.459 0.000 0.775 31 F N -0.359 119.432 119.950 -0.265 0.000 2.262 31 F HA 0.077 4.607 4.527 0.005 0.000 0.292 31 F C 1.710 177.477 175.800 -0.056 0.000 1.081 31 F CA 1.018 58.629 58.000 -0.648 0.000 1.355 31 F CB -0.646 37.711 39.000 -1.071 0.000 1.069 31 F HN -0.290 nan 8.300 nan 0.000 0.506 32 L N 1.077 122.190 121.223 -0.184 0.000 2.313 32 L HA -0.035 4.308 4.340 0.006 0.000 0.214 32 L C 1.086 177.896 176.870 -0.099 0.000 1.119 32 L CA 0.231 54.962 54.840 -0.183 0.000 0.809 32 L CB -0.823 41.146 42.059 -0.149 0.000 0.933 32 L HN 0.044 nan 8.230 nan 0.000 0.449 33 K N 0.263 120.616 120.400 -0.079 0.000 2.469 33 K HA -0.075 4.248 4.320 0.006 0.000 0.274 33 K C -0.301 176.230 176.600 -0.116 0.000 0.983 33 K CA -0.105 56.122 56.287 -0.100 0.000 0.974 33 K CB 0.314 32.748 32.500 -0.109 0.000 0.913 33 K HN 0.003 nan 8.250 nan 0.000 0.493 34 D N 0.561 120.890 120.400 -0.120 0.000 2.723 34 D HA -0.215 4.429 4.640 0.006 0.000 0.236 34 D C -0.712 175.489 176.300 -0.166 0.000 1.138 34 D CA 0.780 54.696 54.000 -0.140 0.000 0.676 34 D CB -1.306 39.365 40.800 -0.214 0.000 1.069 34 D HN 0.504 nan 8.370 nan 0.000 0.430 35 F N 1.130 120.889 119.950 -0.318 0.000 2.571 35 F HA 0.145 4.676 4.527 0.006 0.000 0.390 35 F C -1.380 174.188 175.800 -0.386 0.000 1.043 35 F CA -1.326 56.413 58.000 -0.435 0.000 1.164 35 F CB 0.302 39.134 39.000 -0.280 0.000 1.049 35 F HN -0.135 nan 8.300 nan 0.000 0.552 36 P HA -0.050 nan 4.420 nan 0.000 0.265 36 P C 0.285 177.405 177.300 -0.301 0.000 1.187 36 P CA 0.296 63.050 63.100 -0.575 0.000 0.766 36 P CB 0.477 31.753 31.700 -0.707 0.000 0.820 37 E N 1.526 121.649 120.200 -0.128 0.000 2.338 37 E HA -0.146 4.207 4.350 0.006 0.000 0.197 37 E C 0.740 177.332 176.600 -0.013 0.000 1.007 37 E CA 0.865 57.241 56.400 -0.039 0.000 0.849 37 E CB -0.075 29.607 29.700 -0.030 0.000 0.774 37 E HN 0.619 nan 8.360 nan 0.000 0.506 38 D N -0.270 120.131 120.400 0.001 0.000 2.328 38 D HA -0.026 4.617 4.640 0.006 0.000 0.221 38 D C 0.053 176.289 176.300 -0.107 0.000 1.072 38 D CA -0.007 53.974 54.000 -0.032 0.000 0.850 38 D CB -0.131 40.641 40.800 -0.047 0.000 0.922 38 D HN -0.040 nan 8.370 nan 0.000 0.516 39 F N 1.163 120.963 119.950 -0.251 0.000 2.556 39 F HA 0.486 5.017 4.527 0.007 0.000 0.327 39 F C 0.646 176.443 175.800 -0.005 0.000 1.059 39 F CA -1.159 56.689 58.000 -0.254 0.000 0.953 39 F CB 1.698 40.300 39.000 -0.664 0.000 1.227 39 F HN -0.217 nan 8.300 nan 0.000 0.478 40 R N 0.979 121.663 120.500 0.307 0.000 2.686 40 R HA 0.575 4.918 4.340 0.006 0.000 0.283 40 R C -2.234 174.274 176.300 0.347 0.000 0.978 40 R CA -0.886 55.406 56.100 0.319 0.000 0.897 40 R CB 1.762 32.085 30.300 0.039 0.000 1.192 40 R HN 0.681 nan 8.270 nan 0.000 0.457 41 Y N 3.232 123.573 120.300 0.068 0.000 2.341 41 Y HA 0.458 5.011 4.550 0.007 0.000 0.337 41 Y C -0.828 174.913 175.900 -0.265 0.000 1.014 41 Y CA -1.207 56.797 58.100 -0.160 0.000 1.111 41 Y CB 1.445 39.640 38.460 -0.442 0.000 1.194 41 Y HN 0.524 nan 8.280 nan 0.000 0.462 42 I N 8.093 128.222 120.570 -0.734 0.000 2.354 42 I HA 0.193 4.367 4.170 0.006 0.000 0.286 42 I C -0.852 175.053 176.117 -0.354 0.000 1.007 42 I CA -0.778 60.118 61.300 -0.673 0.000 1.167 42 I CB 0.986 38.514 38.000 -0.786 0.000 1.320 42 I HN 0.507 nan 8.210 nan 0.000 0.458 43 L N 6.781 128.118 121.223 0.191 0.000 2.312 43 L HA 0.795 5.139 4.340 0.006 0.000 0.281 43 L C -0.073 177.046 176.870 0.414 0.000 1.070 43 L CA 0.135 55.206 54.840 0.384 0.000 0.805 43 L CB 1.339 43.768 42.059 0.618 0.000 1.174 43 L HN 0.694 nan 8.230 nan 0.000 0.434 44 A N 4.871 127.857 122.820 0.276 0.000 2.401 44 A HA 0.539 4.863 4.320 0.006 0.000 0.310 44 A C 0.401 178.056 177.584 0.118 0.000 1.075 44 A CA -0.636 51.538 52.037 0.229 0.000 0.746 44 A CB 1.078 20.166 19.000 0.146 0.000 1.277 44 A HN 0.869 nan 8.150 nan 0.000 0.425 45 L N 0.042 121.278 121.223 0.021 0.000 2.465 45 L HA 0.051 4.395 4.340 0.006 0.000 0.224 45 L C 0.946 177.788 176.870 -0.047 0.000 1.145 45 L CA 0.976 55.751 54.840 -0.108 0.000 0.834 45 L CB -0.039 41.866 42.059 -0.257 0.000 0.944 45 L HN 0.705 nan 8.230 nan 0.000 0.451 46 Q N -0.604 119.196 119.800 0.000 0.000 2.353 46 Q HA 0.111 4.455 4.340 0.006 0.000 0.275 46 Q C -0.159 175.869 176.000 0.046 0.000 1.029 46 Q CA -0.298 55.517 55.803 0.021 0.000 0.848 46 Q CB 2.329 31.076 28.738 0.016 0.000 1.390 46 Q HN -0.027 nan 8.270 nan 0.000 0.401 47 E N 1.396 121.630 120.200 0.058 0.000 2.130 47 E HA -0.214 4.140 4.350 0.006 0.000 0.196 47 E C 1.533 178.167 176.600 0.057 0.000 0.998 47 E CA 1.999 58.438 56.400 0.066 0.000 0.806 47 E CB -0.011 29.733 29.700 0.073 0.000 0.738 47 E HN 0.663 nan 8.360 nan 0.000 0.459 48 A N -0.002 122.851 122.820 0.055 0.000 1.972 48 A HA -0.202 4.122 4.320 0.006 0.000 0.219 48 A C 2.297 179.911 177.584 0.050 0.000 1.169 48 A CA 1.424 53.495 52.037 0.058 0.000 0.635 48 A CB -0.741 18.303 19.000 0.073 0.000 0.810 48 A HN 0.428 nan 8.150 nan 0.000 0.446 49 C N -1.572 117.754 119.300 0.044 0.000 2.486 49 C HA 0.030 4.494 4.460 0.006 0.000 0.279 49 C C 2.654 177.662 174.990 0.029 0.000 1.302 49 C CA 0.592 59.629 59.018 0.032 0.000 1.720 49 C CB -1.181 26.578 27.740 0.031 0.000 2.030 49 C HN 0.438 nan 8.230 nan 0.000 0.490 50 V N 1.246 121.189 119.914 0.048 0.000 2.233 50 V HA -0.224 3.900 4.120 0.006 0.000 0.247 50 V C 2.479 178.574 176.094 0.001 0.000 1.050 50 V CA 2.352 64.687 62.300 0.058 0.000 1.010 50 V CB -0.815 31.056 31.823 0.080 0.000 0.637 50 V HN 0.447 nan 8.190 nan 0.000 0.444 51 V N 0.757 120.675 119.914 0.007 0.000 2.427 51 V HA -0.151 3.973 4.120 0.006 0.000 0.248 51 V C 2.603 178.671 176.094 -0.043 0.000 1.051 51 V CA 1.996 64.285 62.300 -0.018 0.000 1.048 51 V CB -1.406 30.432 31.823 0.026 0.000 0.666 51 V HN 0.629 nan 8.190 nan 0.000 0.456 52 G N 0.118 108.907 108.800 -0.019 0.000 2.421 52 G HA2 -0.225 3.739 3.960 0.006 0.000 0.216 52 G HA3 -0.225 3.739 3.960 0.006 0.000 0.216 52 G C 1.568 176.371 174.900 -0.162 0.000 1.171 52 G CA 1.099 46.172 45.100 -0.044 0.000 0.775 52 G HN 0.484 nan 8.290 nan 0.000 0.543 53 I N 1.370 121.842 120.570 -0.163 0.000 2.179 53 I HA -0.176 3.998 4.170 0.006 0.000 0.242 53 I C 3.323 179.162 176.117 -0.464 0.000 1.088 53 I CA 1.035 62.205 61.300 -0.217 0.000 1.357 53 I CB -0.310 37.641 38.000 -0.082 0.000 1.051 53 I HN 0.246 nan 8.210 nan 0.000 0.409 54 A N 0.267 122.656 122.820 -0.718 0.000 1.940 54 A HA -0.292 4.032 4.320 0.006 0.000 0.219 54 A C 2.072 179.411 177.584 -0.409 0.000 1.176 54 A CA 2.178 53.565 52.037 -1.085 0.000 0.631 54 A CB -0.646 17.890 19.000 -0.773 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.446 55 D N -0.313 119.964 120.400 -0.204 0.000 2.084 55 D HA -0.096 4.548 4.640 0.006 0.000 0.194 55 D C 2.111 178.377 176.300 -0.057 0.000 0.990 55 D CA 1.750 55.728 54.000 -0.036 0.000 0.826 55 D CB -0.647 40.227 40.800 0.123 0.000 0.971 55 D HN 0.307 nan 8.370 nan 0.000 0.453 56 G N -0.907 107.799 108.800 -0.156 0.000 2.440 56 G HA2 -0.322 3.642 3.960 0.006 0.000 0.218 56 G HA3 -0.322 3.642 3.960 0.006 0.000 0.218 56 G C 1.702 176.487 174.900 -0.191 0.000 1.154 56 G CA 0.977 45.916 45.100 -0.269 0.000 0.767 56 G HN 0.374 nan 8.290 nan 0.000 0.552 57 Y N 1.972 122.116 120.300 -0.260 0.000 2.128 57 Y HA -0.032 4.522 4.550 0.006 0.000 0.284 57 Y C 2.936 178.782 175.900 -0.090 0.000 1.154 57 Y CA 1.503 59.510 58.100 -0.155 0.000 1.149 57 Y CB -0.358 38.001 38.460 -0.168 0.000 0.976 57 Y HN 0.254 nan 8.280 nan 0.000 0.505 58 A N 0.022 122.841 122.820 -0.002 0.000 1.873 58 A HA -0.224 4.100 4.320 0.006 0.000 0.215 58 A C 2.123 179.682 177.584 -0.042 0.000 1.186 58 A CA 1.840 53.870 52.037 -0.011 0.000 0.616 58 A CB -0.761 18.265 19.000 0.043 0.000 0.823 58 A HN 0.641 nan 8.150 nan 0.000 0.442 59 Q N -0.699 119.081 119.800 -0.034 0.000 2.084 59 Q HA -0.146 4.198 4.340 0.006 0.000 0.202 59 Q C 2.422 178.449 176.000 0.045 0.000 0.978 59 Q CA 1.508 57.331 55.803 0.033 0.000 0.844 59 Q CB -0.354 28.420 28.738 0.059 0.000 0.898 59 Q HN 0.690 nan 8.270 nan 0.000 0.426 60 A N 1.050 123.822 122.820 -0.080 0.000 1.897 60 A HA -0.136 4.188 4.320 0.006 0.000 0.215 60 A C 2.240 179.776 177.584 -0.080 0.000 1.181 60 A CA 1.540 53.563 52.037 -0.024 0.000 0.620 60 A CB -0.488 18.451 19.000 -0.102 0.000 0.821 60 A HN 0.432 nan 8.150 nan 0.000 0.443 61 S N -1.258 114.312 115.700 -0.215 0.000 2.481 61 S HA -0.053 4.420 4.470 0.006 0.000 0.231 61 S C 0.973 175.506 174.600 -0.111 0.000 0.996 61 S CA 0.709 58.766 58.200 -0.240 0.000 0.942 61 S CB -0.368 62.536 63.200 -0.494 0.000 0.768 61 S HN 0.527 nan 8.310 nan 0.000 0.520 62 R N 0.373 120.838 120.500 -0.059 0.000 3.651 62 R HA -0.114 4.229 4.340 0.006 0.000 0.292 62 R C -0.905 175.391 176.300 -0.007 0.000 1.161 62 R CA 0.988 57.083 56.100 -0.008 0.000 0.787 62 R CB -1.996 28.308 30.300 0.007 0.000 1.249 62 R HN 0.562 nan 8.270 nan 0.000 0.476 63 K N -0.037 120.354 120.400 -0.015 0.000 2.508 63 K HA 0.428 4.751 4.320 0.006 0.000 0.260 63 K C -2.553 174.080 176.600 0.055 0.000 0.949 63 K CA -2.023 54.274 56.287 0.016 0.000 0.834 63 K CB 2.619 35.126 32.500 0.011 0.000 1.365 63 K HN -0.219 nan 8.250 nan 0.000 0.437 64 P HA 0.031 nan 4.420 nan 0.000 0.269 64 P C -1.277 176.148 177.300 0.208 0.000 1.215 64 P CA -0.200 62.973 63.100 0.121 0.000 0.780 64 P CB 0.800 32.563 31.700 0.106 0.000 0.898 65 A N 2.826 125.783 122.820 0.228 0.000 2.342 65 A HA 0.567 4.891 4.320 0.006 0.000 0.323 65 A C -1.123 176.667 177.584 0.343 0.000 1.125 65 A CA -0.655 51.586 52.037 0.340 0.000 0.785 65 A CB 0.531 19.662 19.000 0.218 0.000 1.221 65 A HN 0.499 nan 8.150 nan 0.000 0.463 66 F N 2.769 122.906 119.950 0.312 0.000 2.408 66 F HA 0.706 5.236 4.527 0.006 0.000 0.344 66 F C -0.413 175.570 175.800 0.305 0.000 1.112 66 F CA -0.486 57.673 58.000 0.264 0.000 1.096 66 F CB 0.677 39.830 39.000 0.254 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.746 125.102 120.570 -0.357 0.000 2.646 67 I HA 0.315 4.489 4.170 0.006 0.000 0.299 67 I C -1.146 174.779 176.117 -0.320 0.000 1.036 67 I CA -0.996 60.217 61.300 -0.146 0.000 1.074 67 I CB 2.242 40.207 38.000 -0.058 0.000 1.258 67 I HN 0.523 nan 8.210 nan 0.000 0.430 68 N N 5.905 124.605 118.700 -0.000 0.000 2.540 68 N HA 0.573 5.317 4.740 0.006 0.000 0.275 68 N C -1.607 173.988 175.510 0.142 0.000 1.053 68 N CA -0.320 52.780 53.050 0.083 0.000 0.876 68 N CB 1.021 39.729 38.487 0.369 0.000 1.284 68 N HN 0.472 nan 8.380 nan 0.000 0.518 69 L N 1.093 122.379 121.223 0.106 0.000 2.304 69 L HA 0.484 4.828 4.340 0.006 0.000 0.268 69 L C -0.282 176.705 176.870 0.194 0.000 1.010 69 L CA -1.235 53.697 54.840 0.153 0.000 0.813 69 L CB 1.285 43.424 42.059 0.134 0.000 1.315 69 L HN 0.567 nan 8.230 nan 0.000 0.445 70 H N 0.520 119.652 119.070 0.103 0.000 2.690 70 H HA 0.308 4.868 4.556 0.006 0.000 0.289 70 H C 0.307 175.692 175.328 0.095 0.000 1.089 70 H CA 0.662 56.769 56.048 0.098 0.000 1.299 70 H CB 0.676 30.488 29.762 0.083 0.000 1.405 70 H HN 0.696 nan 8.280 nan 0.000 0.463 71 S N 2.943 118.482 115.700 -0.269 0.000 3.055 71 S HA -0.380 4.094 4.470 0.006 0.000 0.628 71 S C 1.787 176.349 174.600 -0.063 0.000 3.040 71 S CA 1.642 59.712 58.200 -0.217 0.000 3.787 71 S CB -1.273 61.678 63.200 -0.415 0.000 0.299 71 S HN 1.094 nan 8.310 nan 0.000 1.470 72 A N 0.504 123.289 122.820 -0.058 0.000 1.855 72 A HA 0.263 4.587 4.320 0.006 0.000 0.215 72 A C 2.687 180.268 177.584 -0.004 0.000 1.191 72 A CA 2.784 54.812 52.037 -0.014 0.000 0.613 72 A CB -1.631 17.356 19.000 -0.021 0.000 0.829 72 A HN 1.764 nan 8.150 nan 0.000 0.442 73 A N -0.449 122.370 122.820 -0.002 0.000 1.883 73 A HA 0.042 4.366 4.320 0.006 0.000 0.217 73 A C 2.440 180.058 177.584 0.056 0.000 1.186 73 A CA 2.205 54.262 52.037 0.034 0.000 0.624 73 A CB -1.496 17.543 19.000 0.065 0.000 0.822 73 A HN 0.773 nan 8.150 nan 0.000 0.444 74 G N -1.345 107.504 108.800 0.082 0.000 2.421 74 G HA2 -0.147 3.817 3.960 0.006 0.000 0.216 74 G HA3 -0.147 3.817 3.960 0.006 0.000 0.216 74 G C 1.592 176.542 174.900 0.083 0.000 1.171 74 G CA 1.660 46.826 45.100 0.110 0.000 0.775 74 G HN 0.434 nan 8.290 nan 0.000 0.543 75 T N 1.079 115.681 114.554 0.079 0.000 2.684 75 T HA -0.069 4.285 4.350 0.006 0.000 0.267 75 T C 2.498 177.197 174.700 -0.001 0.000 1.036 75 T CA 1.552 63.690 62.100 0.063 0.000 1.148 75 T CB -0.694 68.213 68.868 0.065 0.000 0.863 75 T HN 0.364 nan 8.240 nan 0.000 0.436 76 G N 2.228 111.024 108.800 -0.008 0.000 2.469 76 G HA2 -0.282 3.682 3.960 0.006 0.000 0.219 76 G HA3 -0.282 3.682 3.960 0.006 0.000 0.219 76 G C 1.593 176.494 174.900 0.002 0.000 1.150 76 G CA 0.746 45.835 45.100 -0.018 0.000 0.763 76 G HN 0.403 nan 8.290 nan 0.000 0.561 77 N N 1.007 119.722 118.700 0.025 0.000 2.443 77 N HA -0.001 4.743 4.740 0.006 0.000 0.184 77 N C 1.896 177.429 175.510 0.038 0.000 1.037 77 N CA 0.955 54.027 53.050 0.036 0.000 0.896 77 N CB -0.089 38.427 38.487 0.048 0.000 0.959 77 N HN 0.366 nan 8.380 nan 0.000 0.442 78 A N -0.354 122.485 122.820 0.031 0.000 2.348 78 A HA 0.190 4.514 4.320 0.006 0.000 0.224 78 A C 1.855 179.447 177.584 0.012 0.000 1.227 78 A CA -0.146 51.911 52.037 0.032 0.000 0.885 78 A CB 0.049 19.076 19.000 0.044 0.000 0.933 78 A HN -0.006 nan 8.150 nan 0.000 0.506 79 M N -0.166 119.427 119.600 -0.010 0.000 2.108 79 M HA -0.122 4.362 4.480 0.006 0.000 0.261 79 M C 2.198 178.485 176.300 -0.022 0.000 1.066 79 M CA 1.682 56.961 55.300 -0.036 0.000 1.107 79 M CB -1.642 30.926 32.600 -0.054 0.000 1.356 79 M HN 0.477 nan 8.290 nan 0.000 0.406 80 G N -0.089 108.709 108.800 -0.003 0.000 2.418 80 G HA2 -0.081 3.882 3.960 0.006 0.000 0.217 80 G HA3 -0.081 3.882 3.960 0.006 0.000 0.217 80 G C 1.677 176.580 174.900 0.004 0.000 1.158 80 G CA 1.246 46.345 45.100 -0.002 0.000 0.771 80 G HN 0.548 nan 8.290 nan 0.000 0.545 81 A N 0.542 123.380 122.820 0.030 0.000 1.933 81 A HA 0.102 4.426 4.320 0.006 0.000 0.218 81 A C 2.410 180.021 177.584 0.046 0.000 1.175 81 A CA 1.196 53.267 52.037 0.056 0.000 0.628 81 A CB -0.386 18.657 19.000 0.070 0.000 0.814 81 A HN 0.357 nan 8.150 nan 0.000 0.444 82 L N 0.505 121.748 121.223 0.034 0.000 2.201 82 L HA -0.168 4.176 4.340 0.006 0.000 0.212 82 L C 2.992 179.898 176.870 0.061 0.000 1.105 82 L CA 1.408 56.278 54.840 0.051 0.000 0.775 82 L CB -0.481 41.594 42.059 0.027 0.000 0.913 82 L HN 0.659 nan 8.230 nan 0.000 0.440 83 S N -0.345 115.362 115.700 0.012 0.000 2.382 83 S HA -0.170 4.304 4.470 0.006 0.000 0.228 83 S C 1.765 176.384 174.600 0.032 0.000 1.027 83 S CA 1.193 59.396 58.200 0.005 0.000 0.991 83 S CB -0.356 62.817 63.200 -0.044 0.000 0.823 83 S HN 0.433 nan 8.310 nan 0.000 0.469 84 N N 2.510 121.192 118.700 -0.029 0.000 2.106 84 N HA 0.089 4.832 4.740 0.006 0.000 0.188 84 N C 2.123 177.589 175.510 -0.073 0.000 1.029 84 N CA 1.471 54.448 53.050 -0.121 0.000 0.848 84 N CB -1.005 37.325 38.487 -0.262 0.000 1.007 84 N HN 0.597 nan 8.380 nan 0.000 0.423 85 A N 1.585 124.408 122.820 0.005 0.000 1.948 85 A HA -0.186 4.137 4.320 0.006 0.000 0.220 85 A C 2.042 179.668 177.584 0.071 0.000 1.177 85 A CA 1.232 53.294 52.037 0.043 0.000 0.636 85 A CB -1.128 17.924 19.000 0.087 0.000 0.815 85 A HN 0.616 nan 8.150 nan 0.000 0.449 86 W N 1.056 122.324 121.300 -0.053 0.000 2.358 86 W HA -0.187 4.477 4.660 0.006 0.000 0.303 86 W C 1.358 177.802 176.519 -0.126 0.000 1.208 86 W CA 1.982 59.299 57.345 -0.047 0.000 1.274 86 W CB -0.479 28.958 29.460 -0.039 0.000 1.138 86 W HN 0.413 nan 8.180 nan 0.000 0.515 87 N N 0.297 118.994 118.700 -0.004 0.000 2.396 87 N HA -0.141 4.603 4.740 0.006 0.000 0.180 87 N C 1.767 177.075 175.510 -0.336 0.000 1.028 87 N CA 1.995 54.942 53.050 -0.171 0.000 0.893 87 N CB -0.427 38.032 38.487 -0.046 0.000 0.967 87 N HN 0.129 nan 8.380 nan 0.000 0.440 88 S N -1.528 114.029 115.700 -0.237 0.000 2.556 88 S HA 0.096 4.570 4.470 0.006 0.000 0.216 88 S C -0.134 174.412 174.600 -0.089 0.000 0.970 88 S CA -0.320 57.786 58.200 -0.158 0.000 0.912 88 S CB -0.557 62.602 63.200 -0.068 0.000 0.790 88 S HN 0.395 nan 8.310 nan 0.000 0.504 89 H N 0.862 119.856 119.070 -0.126 0.000 2.791 89 H HA -0.131 4.429 4.556 0.006 0.000 0.302 89 H C -0.656 174.637 175.328 -0.059 0.000 1.198 89 H CA 0.399 56.361 56.048 -0.143 0.000 1.145 89 H CB -2.156 27.532 29.762 -0.123 0.000 1.385 89 H HN 0.372 nan 8.280 nan 0.000 0.409 90 S N 2.509 118.247 115.700 0.063 0.000 2.481 90 S HA 0.118 4.592 4.470 0.006 0.000 0.276 90 S C -1.808 172.833 174.600 0.070 0.000 1.247 90 S CA -1.001 57.240 58.200 0.069 0.000 1.053 90 S CB 0.920 64.158 63.200 0.063 0.000 0.925 90 S HN 0.212 nan 8.310 nan 0.000 0.491 91 P HA 0.187 nan 4.420 nan 0.000 0.263 91 P C -1.048 176.303 177.300 0.085 0.000 1.601 91 P CA 0.012 63.154 63.100 0.070 0.000 1.161 91 P CB -0.185 31.550 31.700 0.058 0.000 1.730 92 L N 4.504 125.781 121.223 0.091 0.000 2.313 92 L HA 0.511 4.854 4.340 0.006 0.000 0.283 92 L C 0.683 177.608 176.870 0.091 0.000 1.013 92 L CA -0.983 53.908 54.840 0.086 0.000 0.816 92 L CB 1.972 44.073 42.059 0.069 0.000 1.236 92 L HN 0.156 nan 8.230 nan 0.000 0.419 93 I N 4.193 124.804 120.570 0.067 0.000 2.310 93 I HA 0.196 4.370 4.170 0.006 0.000 0.287 93 I C -0.306 175.725 176.117 -0.143 0.000 1.073 93 I CA -0.532 60.783 61.300 0.025 0.000 1.216 93 I CB 1.257 39.316 38.000 0.099 0.000 1.415 93 I HN 0.248 nan 8.210 nan 0.000 0.480 94 V N 5.273 125.160 119.914 -0.045 0.000 2.368 94 V HA 0.264 4.388 4.120 0.006 0.000 0.266 94 V C 0.615 176.596 176.094 -0.190 0.000 1.045 94 V CA -0.342 61.918 62.300 -0.067 0.000 0.899 94 V CB 1.034 32.950 31.823 0.156 0.000 1.006 94 V HN 0.792 nan 8.190 nan 0.000 0.470 95 T N 2.337 116.694 114.554 -0.328 0.000 2.823 95 T HA 0.863 5.217 4.350 0.006 0.000 0.279 95 T C -0.413 174.148 174.700 -0.231 0.000 0.998 95 T CA -0.537 61.358 62.100 -0.341 0.000 0.994 95 T CB 1.958 70.621 68.868 -0.341 0.000 0.960 95 T HN 0.950 nan 8.240 nan 0.000 0.448 96 A N 2.027 124.686 122.820 -0.268 0.000 2.393 96 A HA 0.864 5.187 4.320 0.006 0.000 0.306 96 A C 0.383 177.947 177.584 -0.033 0.000 1.050 96 A CA -0.730 51.252 52.037 -0.090 0.000 0.724 96 A CB 1.250 20.240 19.000 -0.016 0.000 1.248 96 A HN 1.335 nan 8.150 nan 0.000 0.424 97 G N 0.626 109.473 108.800 0.078 0.000 2.378 97 G HA2 0.460 4.424 3.960 0.006 0.000 0.255 97 G HA3 0.460 4.424 3.960 0.006 0.000 0.255 97 G C -0.114 174.840 174.900 0.091 0.000 1.270 97 G CA 0.042 45.238 45.100 0.160 0.000 0.876 97 G HN 0.840 nan 8.290 nan 0.000 0.521 98 Q N 0.617 120.481 119.800 0.106 0.000 2.204 98 Q HA 0.337 4.681 4.340 0.006 0.000 0.254 98 Q C 0.328 176.408 176.000 0.132 0.000 0.981 98 Q CA -0.637 55.197 55.803 0.052 0.000 0.897 98 Q CB 1.011 29.735 28.738 -0.024 0.000 1.273 98 Q HN 0.505 nan 8.270 nan 0.000 0.464 99 Q N 0.248 120.094 119.800 0.077 0.000 2.492 99 Q HA 0.099 4.443 4.340 0.006 0.000 0.238 99 Q C -0.566 175.338 176.000 -0.160 0.000 1.045 99 Q CA 0.208 56.068 55.803 0.095 0.000 0.934 99 Q CB 0.810 29.581 28.738 0.056 0.000 1.276 99 Q HN 0.833 nan 8.270 nan 0.000 0.521 100 T N 0.746 115.012 114.554 -0.481 0.000 2.928 100 T HA 0.032 4.386 4.350 0.006 0.000 0.305 100 T C 1.279 175.810 174.700 -0.282 0.000 1.035 100 T CA 0.072 61.773 62.100 -0.665 0.000 1.145 100 T CB 0.327 68.722 68.868 -0.788 0.000 0.963 100 T HN 0.509 nan 8.240 nan 0.000 0.545 101 R N 3.282 123.644 120.500 -0.229 0.000 2.185 101 R HA -0.169 4.174 4.340 0.006 0.000 0.247 101 R C 2.496 178.733 176.300 -0.105 0.000 1.159 101 R CA 1.548 57.563 56.100 -0.142 0.000 0.988 101 R CB -0.524 29.702 30.300 -0.123 0.000 0.871 101 R HN 0.756 nan 8.270 nan 0.000 0.458 102 A N 0.143 122.898 122.820 -0.108 0.000 2.121 102 A HA -0.042 4.281 4.320 0.006 0.000 0.218 102 A C 1.726 179.280 177.584 -0.049 0.000 1.154 102 A CA 1.015 53.012 52.037 -0.067 0.000 0.679 102 A CB -0.017 18.949 19.000 -0.055 0.000 0.795 102 A HN 0.199 nan 8.150 nan 0.000 0.458 103 M N -1.269 118.297 119.600 -0.057 0.000 2.347 103 M HA 0.316 4.800 4.480 0.006 0.000 0.324 103 M C 0.904 177.189 176.300 -0.025 0.000 1.028 103 M CA 0.113 55.397 55.300 -0.026 0.000 0.988 103 M CB 0.266 32.865 32.600 -0.001 0.000 1.528 103 M HN 0.299 nan 8.290 nan 0.000 0.550 104 I N 0.237 120.782 120.570 -0.043 0.000 2.394 104 I HA -0.114 4.059 4.170 0.006 0.000 0.251 104 I C 2.453 178.552 176.117 -0.030 0.000 1.136 104 I CA 1.310 62.587 61.300 -0.038 0.000 1.425 104 I CB -0.484 37.482 38.000 -0.056 0.000 1.079 104 I HN 0.377 nan 8.210 nan 0.000 0.425 105 G N 1.232 110.014 108.800 -0.029 0.000 2.446 105 G HA2 -0.224 3.740 3.960 0.006 0.000 0.217 105 G HA3 -0.224 3.740 3.960 0.006 0.000 0.217 105 G C 1.627 176.518 174.900 -0.015 0.000 1.168 105 G CA 1.333 46.420 45.100 -0.023 0.000 0.771 105 G HN 0.386 nan 8.290 nan 0.000 0.551 106 V N -2.275 117.633 119.914 -0.010 0.000 3.380 106 V HA 0.239 4.363 4.120 0.006 0.000 0.268 106 V C 0.700 176.793 176.094 -0.002 0.000 1.168 106 V CA 0.958 63.255 62.300 -0.004 0.000 1.156 106 V CB -0.826 30.997 31.823 0.001 0.000 0.785 106 V HN 0.514 nan 8.190 nan 0.000 0.487 107 E N -0.024 120.174 120.200 -0.004 0.000 2.260 107 E HA -0.170 4.184 4.350 0.006 0.000 0.204 107 E C 0.534 177.139 176.600 0.009 0.000 1.319 107 E CA 0.190 56.590 56.400 -0.001 0.000 0.679 107 E CB -1.371 28.327 29.700 -0.004 0.000 1.158 107 E HN 1.003 nan 8.360 nan 0.000 0.376 108 A N 0.985 123.815 122.820 0.017 0.000 2.406 108 A HA 0.367 4.690 4.320 0.006 0.000 0.243 108 A C 0.444 178.051 177.584 0.038 0.000 1.082 108 A CA -0.310 51.746 52.037 0.030 0.000 0.786 108 A CB 0.434 19.459 19.000 0.043 0.000 1.029 108 A HN 0.381 nan 8.150 nan 0.000 0.495 109 L N 0.939 122.188 121.223 0.044 0.000 2.573 109 L HA 0.035 4.379 4.340 0.006 0.000 0.290 109 L C 0.861 177.771 176.870 0.065 0.000 1.247 109 L CA 1.472 56.342 54.840 0.050 0.000 0.876 109 L CB -0.342 41.750 42.059 0.055 0.000 1.123 109 L HN 0.752 nan 8.230 nan 0.000 0.505 110 L N 1.417 122.672 121.223 0.053 0.000 4.892 110 L HA -0.218 4.126 4.340 0.006 0.000 0.403 110 L C 0.304 177.181 176.870 0.012 0.000 0.913 110 L CA 0.478 55.340 54.840 0.037 0.000 1.653 110 L CB -2.448 39.674 42.059 0.105 0.000 1.780 110 L HN 0.768 nan 8.230 nan 0.000 0.597 111 T N 1.032 115.596 114.554 0.017 0.000 2.814 111 T HA 0.157 4.511 4.350 0.006 0.000 0.297 111 T C 0.619 175.311 174.700 -0.013 0.000 0.956 111 T CA -0.024 62.078 62.100 0.004 0.000 1.123 111 T CB 1.053 69.922 68.868 0.001 0.000 0.902 111 T HN 0.136 nan 8.240 nan 0.000 0.528 112 N N 4.016 122.705 118.700 -0.019 0.000 2.555 112 N HA 0.114 4.857 4.740 0.006 0.000 0.244 112 N C -0.459 175.039 175.510 -0.020 0.000 1.114 112 N CA -0.257 52.783 53.050 -0.017 0.000 0.963 112 N CB 0.172 38.659 38.487 -0.000 0.000 1.276 112 N HN 0.283 nan 8.380 nan 0.000 0.510 113 V N 3.264 123.165 119.914 -0.022 0.000 2.585 113 V HA -0.012 4.112 4.120 0.006 0.000 0.296 113 V C 0.930 177.004 176.094 -0.033 0.000 1.035 113 V CA -0.116 62.167 62.300 -0.028 0.000 1.084 113 V CB 0.565 32.373 31.823 -0.024 0.000 0.953 113 V HN 0.727 nan 8.190 nan 0.000 0.483 114 D N 3.279 123.655 120.400 -0.040 0.000 2.737 114 D HA -0.269 4.375 4.640 0.006 0.000 0.233 114 D C 1.357 177.630 176.300 -0.044 0.000 1.155 114 D CA 1.000 54.972 54.000 -0.046 0.000 0.667 114 D CB -0.590 40.183 40.800 -0.044 0.000 1.060 114 D HN 0.839 nan 8.370 nan 0.000 0.427 115 A N 0.597 123.400 122.820 -0.029 0.000 1.893 115 A HA -0.172 4.151 4.320 0.006 0.000 0.222 115 A C 2.571 180.179 177.584 0.040 0.000 1.309 115 A CA 3.533 55.584 52.037 0.022 0.000 0.681 115 A CB -1.282 17.742 19.000 0.039 0.000 0.842 115 A HN 1.028 nan 8.150 nan 0.000 0.468 116 A N -0.840 121.981 122.820 0.002 0.000 2.032 116 A HA -0.224 4.099 4.320 0.006 0.000 0.221 116 A C 1.838 179.377 177.584 -0.075 0.000 1.165 116 A CA 1.960 53.990 52.037 -0.012 0.000 0.645 116 A CB -0.650 18.298 19.000 -0.087 0.000 0.807 116 A HN 0.615 nan 8.150 nan 0.000 0.453 117 N N -0.665 117.985 118.700 -0.083 0.000 2.457 117 N HA -0.039 4.705 4.740 0.006 0.000 0.180 117 N C 1.456 176.883 175.510 -0.139 0.000 1.050 117 N CA 0.756 53.746 53.050 -0.100 0.000 0.906 117 N CB -0.280 38.161 38.487 -0.076 0.000 0.968 117 N HN 0.438 nan 8.380 nan 0.000 0.445 118 L N 2.721 123.844 121.223 -0.167 0.000 1.970 118 L HA -0.049 4.294 4.340 0.006 0.000 0.212 118 L C -0.895 175.807 176.870 -0.282 0.000 1.071 118 L CA 2.090 56.805 54.840 -0.208 0.000 0.751 118 L CB -1.438 40.495 42.059 -0.209 0.000 0.889 118 L HN 0.099 nan 8.230 nan 0.000 0.432 119 P HA -0.092 nan 4.420 nan 0.000 0.236 119 P C 0.038 177.185 177.300 -0.256 0.000 1.177 119 P CA 0.474 63.337 63.100 -0.395 0.000 0.773 119 P CB -0.082 31.243 31.700 -0.624 0.000 0.878 120 R N 1.909 122.278 120.500 -0.218 0.000 2.643 120 R HA 0.133 4.477 4.340 0.006 0.000 0.270 120 R C -1.379 174.801 176.300 -0.200 0.000 1.061 120 R CA -0.913 55.074 56.100 -0.188 0.000 1.107 120 R CB -0.104 30.112 30.300 -0.140 0.000 0.999 120 R HN 0.121 nan 8.270 nan 0.000 0.460 121 P HA 0.102 nan 4.420 nan 0.000 0.248 121 P C -0.026 176.925 177.300 -0.582 0.000 1.708 121 P CA 0.283 63.180 63.100 -0.339 0.000 1.062 121 P CB 0.268 31.780 31.700 -0.314 0.000 1.562 122 L N 0.075 121.042 121.223 -0.427 0.000 2.685 122 L HA 0.184 4.528 4.340 0.006 0.000 0.233 122 L C 0.746 177.568 176.870 -0.080 0.000 1.173 122 L CA -0.258 54.327 54.840 -0.425 0.000 0.961 122 L CB 0.187 42.117 42.059 -0.214 0.000 1.217 122 L HN -0.079 nan 8.230 nan 0.000 0.478 123 V N -5.356 114.541 119.914 -0.029 0.000 3.007 123 V HA 0.372 4.495 4.120 0.006 0.000 0.311 123 V C 0.614 176.981 176.094 0.455 0.000 1.120 123 V CA -1.049 61.425 62.300 0.291 0.000 0.980 123 V CB 2.171 34.096 31.823 0.170 0.000 1.033 123 V HN 0.030 nan 8.190 nan 0.000 0.429 124 K N 0.909 121.635 120.400 0.543 0.000 2.155 124 K HA 0.077 4.401 4.320 0.006 0.000 0.203 124 K C -0.223 176.639 176.600 0.436 0.000 1.052 124 K CA 1.707 58.276 56.287 0.471 0.000 0.948 124 K CB 0.163 32.843 32.500 0.300 0.000 0.728 124 K HN 0.745 nan 8.250 nan 0.000 0.448 125 W N -0.057 121.344 121.300 0.169 0.000 3.425 125 W HA 0.313 4.976 4.660 0.006 0.000 0.318 125 W C -1.631 174.987 176.519 0.165 0.000 1.201 125 W CA -0.671 56.752 57.345 0.130 0.000 1.212 125 W CB 1.913 31.424 29.460 0.084 0.000 1.355 125 W HN -0.362 nan 8.180 nan 0.000 0.515 126 S N 5.192 120.651 115.700 -0.400 0.000 2.571 126 S HA 0.760 5.234 4.470 0.006 0.000 0.284 126 S C -2.064 172.192 174.600 -0.573 0.000 1.128 126 S CA -0.308 57.712 58.200 -0.300 0.000 0.970 126 S CB 0.735 63.891 63.200 -0.075 0.000 1.039 126 S HN 0.503 nan 8.310 nan 0.000 0.485 127 Y N 2.218 122.081 120.300 -0.729 0.000 2.624 127 Y HA 0.565 5.119 4.550 0.006 0.000 0.334 127 Y C -1.516 174.160 175.900 -0.372 0.000 1.155 127 Y CA -0.698 57.001 58.100 -0.668 0.000 1.046 127 Y CB 1.556 39.296 38.460 -1.199 0.000 1.316 127 Y HN 0.685 nan 8.280 nan 0.000 0.457 128 E N 5.335 124.972 120.200 -0.937 0.000 2.265 128 E HA 0.490 4.843 4.350 0.006 0.000 0.262 128 E C -2.949 173.117 176.600 -0.891 0.000 0.889 128 E CA -2.401 53.611 56.400 -0.647 0.000 0.789 128 E CB 1.937 31.399 29.700 -0.397 0.000 1.221 128 E HN 0.312 nan 8.360 nan 0.000 0.414 129 P HA 0.038 nan 4.420 nan 0.000 0.267 129 P C -0.271 176.918 177.300 -0.184 0.000 1.200 129 P CA 0.157 63.146 63.100 -0.184 0.000 0.772 129 P CB 1.010 32.698 31.700 -0.020 0.000 0.855 130 A N 1.541 124.317 122.820 -0.073 0.000 2.208 130 A HA 0.258 4.582 4.320 0.006 0.000 0.209 130 A C 0.567 178.124 177.584 -0.044 0.000 1.161 130 A CA 0.984 52.985 52.037 -0.061 0.000 0.782 130 A CB -0.507 18.489 19.000 -0.006 0.000 0.816 130 A HN 0.607 nan 8.150 nan 0.000 0.477 131 S N -3.931 111.747 115.700 -0.036 0.000 2.567 131 S HA 0.593 5.067 4.470 0.006 0.000 0.270 131 S C 0.617 175.185 174.600 -0.054 0.000 1.152 131 S CA -0.023 58.154 58.200 -0.039 0.000 0.835 131 S CB 0.965 64.160 63.200 -0.008 0.000 1.115 131 S HN 0.985 nan 8.310 nan 0.000 0.459 132 A N 1.698 124.475 122.820 -0.070 0.000 1.908 132 A HA 0.232 4.555 4.320 0.006 0.000 0.218 132 A C 2.306 179.860 177.584 -0.051 0.000 1.181 132 A CA 2.137 54.115 52.037 -0.098 0.000 0.627 132 A CB -1.601 17.350 19.000 -0.081 0.000 0.818 132 A HN 1.812 nan 8.150 nan 0.000 0.445 133 A N -0.815 122.001 122.820 -0.006 0.000 2.125 133 A HA -0.158 4.165 4.320 0.006 0.000 0.219 133 A C 1.928 179.542 177.584 0.049 0.000 1.156 133 A CA 1.642 53.695 52.037 0.026 0.000 0.671 133 A CB -0.425 18.593 19.000 0.030 0.000 0.794 133 A HN 0.678 nan 8.150 nan 0.000 0.459 134 E N -0.184 120.048 120.200 0.053 0.000 2.371 134 E HA -0.014 4.340 4.350 0.006 0.000 0.194 134 E C 1.622 178.298 176.600 0.126 0.000 1.012 134 E CA 0.588 57.061 56.400 0.121 0.000 0.860 134 E CB -0.018 29.770 29.700 0.146 0.000 0.811 134 E HN 0.370 nan 8.360 nan 0.000 0.502 135 V N 1.809 121.741 119.914 0.031 0.000 2.250 135 V HA -0.245 3.879 4.120 0.006 0.000 0.250 135 V C -0.706 175.444 176.094 0.093 0.000 1.060 135 V CA 2.322 64.616 62.300 -0.010 0.000 1.030 135 V CB -1.512 30.175 31.823 -0.226 0.000 0.643 135 V HN 0.286 nan 8.190 nan 0.000 0.445 136 P HA -0.198 nan 4.420 nan 0.000 0.216 136 P C 1.706 179.129 177.300 0.206 0.000 1.153 136 P CA 1.803 65.010 63.100 0.180 0.000 0.858 136 P CB -0.199 31.603 31.700 0.169 0.000 0.789 137 H N -0.567 118.548 119.070 0.076 0.000 2.353 137 H HA -0.083 4.476 4.556 0.006 0.000 0.300 137 H C 1.800 177.179 175.328 0.085 0.000 1.090 137 H CA 1.216 57.300 56.048 0.059 0.000 1.327 137 H CB -0.134 29.652 29.762 0.040 0.000 1.383 137 H HN -0.014 nan 8.280 nan 0.000 0.508 138 A N 0.915 123.791 122.820 0.093 0.000 1.933 138 A HA -0.202 4.122 4.320 0.006 0.000 0.218 138 A C 2.370 180.070 177.584 0.194 0.000 1.175 138 A CA 1.712 53.834 52.037 0.142 0.000 0.628 138 A CB -0.629 18.562 19.000 0.318 0.000 0.814 138 A HN 0.506 nan 8.150 nan 0.000 0.444 139 M N -0.214 119.493 119.600 0.179 0.000 2.132 139 M HA -0.071 4.413 4.480 0.006 0.000 0.263 139 M C 2.284 178.659 176.300 0.126 0.000 1.065 139 M CA 2.033 57.447 55.300 0.190 0.000 1.122 139 M CB -0.587 32.138 32.600 0.208 0.000 1.365 139 M HN 0.393 nan 8.290 nan 0.000 0.411 140 S N -0.161 115.604 115.700 0.108 0.000 2.359 140 S HA -0.172 4.302 4.470 0.006 0.000 0.224 140 S C 2.047 176.653 174.600 0.010 0.000 1.035 140 S CA 1.609 59.861 58.200 0.086 0.000 1.018 140 S CB -0.186 63.132 63.200 0.198 0.000 0.876 140 S HN 0.619 nan 8.310 nan 0.000 0.448 141 R N 0.759 121.185 120.500 -0.122 0.000 2.081 141 R HA 0.001 4.345 4.340 0.006 0.000 0.235 141 R C 2.695 178.749 176.300 -0.410 0.000 1.131 141 R CA 1.317 57.167 56.100 -0.417 0.000 0.960 141 R CB -0.662 29.104 30.300 -0.890 0.000 0.856 141 R HN 0.500 nan 8.270 nan 0.000 0.436 142 A N 1.512 124.272 122.820 -0.099 0.000 1.883 142 A HA -0.171 4.153 4.320 0.006 0.000 0.217 142 A C 2.197 179.811 177.584 0.049 0.000 1.186 142 A CA 1.377 53.516 52.037 0.170 0.000 0.624 142 A CB -0.596 18.604 19.000 0.332 0.000 0.822 142 A HN 0.189 nan 8.150 nan 0.000 0.444 143 I N -1.030 119.523 120.570 -0.028 0.000 2.163 143 I HA -0.297 3.876 4.170 0.006 0.000 0.243 143 I C 2.482 178.473 176.117 -0.210 0.000 1.085 143 I CA 1.563 62.786 61.300 -0.128 0.000 1.347 143 I CB -0.602 37.236 38.000 -0.270 0.000 1.044 143 I HN 0.424 nan 8.210 nan 0.000 0.408 144 H N -0.311 118.733 119.070 -0.043 0.000 2.403 144 H HA 0.002 4.561 4.556 0.006 0.000 0.298 144 H C 2.322 177.594 175.328 -0.093 0.000 1.059 144 H CA 1.035 57.036 56.048 -0.078 0.000 1.363 144 H CB -0.113 29.584 29.762 -0.108 0.000 1.410 144 H HN 0.247 nan 8.280 nan 0.000 0.528 145 M N 0.407 119.984 119.600 -0.039 0.000 2.213 145 M HA -0.041 4.442 4.480 0.006 0.000 0.263 145 M C 2.402 178.719 176.300 0.029 0.000 1.062 145 M CA 0.885 56.151 55.300 -0.056 0.000 1.105 145 M CB -0.847 31.670 32.600 -0.139 0.000 1.385 145 M HN 0.215 nan 8.290 nan 0.000 0.417 146 A N -1.140 121.710 122.820 0.051 0.000 1.970 146 A HA -0.019 4.305 4.320 0.006 0.000 0.216 146 A C 2.387 179.994 177.584 0.037 0.000 1.170 146 A CA 1.557 53.635 52.037 0.068 0.000 0.645 146 A CB -0.418 18.636 19.000 0.090 0.000 0.816 146 A HN 0.461 nan 8.150 nan 0.000 0.447 147 S N -0.369 115.346 115.700 0.025 0.000 2.425 147 S HA 0.177 4.650 4.470 0.006 0.000 0.225 147 S C 0.900 175.503 174.600 0.004 0.000 1.024 147 S CA 0.173 58.383 58.200 0.017 0.000 0.951 147 S CB -0.241 62.970 63.200 0.018 0.000 0.796 147 S HN 0.538 nan 8.310 nan 0.000 0.498 148 M N 1.767 121.369 119.600 0.003 0.000 2.248 148 M HA 0.275 4.758 4.480 0.006 0.000 0.337 148 M C 0.292 176.560 176.300 -0.053 0.000 1.121 148 M CA -0.372 54.915 55.300 -0.021 0.000 1.155 148 M CB 0.271 32.856 32.600 -0.026 0.000 1.514 148 M HN 0.144 nan 8.290 nan 0.000 0.452 149 A N 4.556 127.334 122.820 -0.070 0.000 2.440 149 A HA 0.438 4.761 4.320 0.006 0.000 0.251 149 A C -2.225 175.283 177.584 -0.127 0.000 1.089 149 A CA -1.136 50.829 52.037 -0.120 0.000 0.779 149 A CB -0.659 18.277 19.000 -0.108 0.000 1.022 149 A HN 0.528 nan 8.150 nan 0.000 0.492 150 P HA 0.175 nan 4.420 nan 0.000 0.287 150 P C -0.650 176.499 177.300 -0.251 0.000 1.281 150 P CA -0.261 62.628 63.100 -0.353 0.000 0.781 150 P CB 0.805 32.203 31.700 -0.504 0.000 0.903 151 Q N 1.185 120.864 119.800 -0.202 0.000 2.428 151 Q HA 0.482 4.825 4.340 0.006 0.000 0.276 151 Q C 0.695 176.678 176.000 -0.027 0.000 1.059 151 Q CA 0.454 56.216 55.803 -0.069 0.000 0.923 151 Q CB 0.377 29.103 28.738 -0.019 0.000 1.283 151 Q HN 0.741 nan 8.270 nan 0.000 0.447 152 G N 1.136 109.944 108.800 0.013 0.000 2.451 152 G HA2 0.331 4.295 3.960 0.006 0.000 0.292 152 G HA3 0.331 4.295 3.960 0.006 0.000 0.292 152 G C -3.081 171.885 174.900 0.110 0.000 1.427 152 G CA -0.892 44.224 45.100 0.027 0.000 0.792 152 G HN 0.387 nan 8.290 nan 0.000 0.498 153 P HA 0.463 nan 4.420 nan 0.000 0.279 153 P C -0.096 177.350 177.300 0.244 0.000 1.239 153 P CA -0.163 63.052 63.100 0.192 0.000 0.789 153 P CB 1.683 33.499 31.700 0.192 0.000 0.933 154 V N 0.813 120.868 119.914 0.234 0.000 3.001 154 V HA 0.623 4.747 4.120 0.006 0.000 0.314 154 V C -1.467 174.798 176.094 0.285 0.000 1.099 154 V CA -1.102 61.379 62.300 0.301 0.000 0.989 154 V CB 2.153 34.197 31.823 0.369 0.000 1.040 154 V HN 0.489 nan 8.190 nan 0.000 0.434 155 Y N 2.967 123.313 120.300 0.076 0.000 2.361 155 Y HA 0.827 5.381 4.550 0.007 0.000 0.337 155 Y C -1.207 174.646 175.900 -0.079 0.000 0.965 155 Y CA -1.211 56.878 58.100 -0.019 0.000 1.091 155 Y CB 2.022 40.448 38.460 -0.057 0.000 1.182 155 Y HN 0.894 nan 8.280 nan 0.000 0.450 156 L N 5.341 126.267 121.223 -0.496 0.000 2.406 156 L HA 0.604 4.948 4.340 0.006 0.000 0.272 156 L C -1.129 175.396 176.870 -0.575 0.000 0.980 156 L CA -0.190 54.419 54.840 -0.385 0.000 0.831 156 L CB 1.925 43.932 42.059 -0.085 0.000 1.253 156 L HN 0.562 nan 8.230 nan 0.000 0.406 157 S N 4.161 119.576 115.700 -0.476 0.000 2.442 157 S HA 0.838 5.311 4.470 0.006 0.000 0.297 157 S C -1.050 173.420 174.600 -0.217 0.000 1.131 157 S CA -0.447 57.538 58.200 -0.358 0.000 1.092 157 S CB 0.888 63.936 63.200 -0.254 0.000 0.998 157 S HN 0.463 nan 8.310 nan 0.000 0.478 158 V N 7.458 127.290 119.914 -0.136 0.000 2.443 158 V HA 0.426 4.550 4.120 0.006 0.000 0.293 158 V C -2.486 173.565 176.094 -0.072 0.000 1.021 158 V CA -2.077 60.134 62.300 -0.148 0.000 0.848 158 V CB 1.610 33.318 31.823 -0.192 0.000 0.998 158 V HN 0.711 nan 8.190 nan 0.000 0.424 159 P HA 0.014 nan 4.420 nan 0.000 0.264 159 P C 0.313 177.593 177.300 -0.033 0.000 1.193 159 P CA 0.053 63.093 63.100 -0.102 0.000 0.763 159 P CB 0.179 31.775 31.700 -0.174 0.000 0.810 160 Y N 2.820 123.183 120.300 0.105 0.000 2.483 160 Y HA -0.149 4.404 4.550 0.006 0.000 0.291 160 Y C 1.271 177.305 175.900 0.224 0.000 1.143 160 Y CA 1.169 59.428 58.100 0.265 0.000 1.289 160 Y CB -1.137 37.489 38.460 0.276 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.863 119.481 120.400 -0.094 0.000 2.340 161 D HA -0.090 4.553 4.640 0.006 0.000 0.220 161 D C 0.541 176.839 176.300 -0.005 0.000 1.039 161 D CA 0.459 54.450 54.000 -0.014 0.000 0.866 161 D CB -0.223 40.470 40.800 -0.177 0.000 0.913 161 D HN 0.354 nan 8.370 nan 0.000 0.523 162 D N 0.592 120.920 120.400 -0.120 0.000 2.162 162 D HA -0.058 4.586 4.640 0.006 0.000 0.203 162 D C 1.649 177.879 176.300 -0.115 0.000 0.967 162 D CA 0.581 54.452 54.000 -0.215 0.000 0.840 162 D CB -0.530 40.005 40.800 -0.443 0.000 0.972 162 D HN 0.368 nan 8.370 nan 0.000 0.482 163 W N 1.629 123.042 121.300 0.189 0.000 2.321 163 W HA -0.156 4.507 4.660 0.005 0.000 0.306 163 W C 1.757 178.410 176.519 0.223 0.000 1.217 163 W CA 0.688 58.188 57.345 0.259 0.000 1.257 163 W CB -0.244 29.436 29.460 0.367 0.000 1.145 163 W HN -0.074 nan 8.180 nan 0.000 0.509 164 D N -0.182 120.436 120.400 0.363 0.000 2.317 164 D HA -0.045 4.598 4.640 0.006 0.000 0.211 164 D C 0.978 177.375 176.300 0.162 0.000 0.966 164 D CA 0.831 54.971 54.000 0.233 0.000 0.876 164 D CB -0.255 40.653 40.800 0.179 0.000 0.927 164 D HN -0.042 nan 8.370 nan 0.000 0.519 165 K N 1.588 122.068 120.400 0.133 0.000 2.276 165 K HA 0.065 4.388 4.320 0.006 0.000 0.259 165 K C 0.140 176.800 176.600 0.101 0.000 1.001 165 K CA -0.221 56.117 56.287 0.086 0.000 0.927 165 K CB 0.458 32.983 32.500 0.041 0.000 0.969 165 K HN -0.024 nan 8.250 nan 0.000 0.490 166 D N 0.515 120.962 120.400 0.078 0.000 2.382 166 D HA 0.156 4.799 4.640 0.006 0.000 0.245 166 D C -0.083 176.267 176.300 0.084 0.000 1.120 166 D CA 0.152 54.202 54.000 0.084 0.000 0.890 166 D CB 0.857 41.696 40.800 0.065 0.000 1.201 166 D HN 0.446 nan 8.370 nan 0.000 0.433 167 A N 1.771 124.654 122.820 0.104 0.000 2.293 167 A HA 0.217 4.541 4.320 0.006 0.000 0.302 167 A C 0.101 177.733 177.584 0.079 0.000 1.119 167 A CA -0.645 51.453 52.037 0.102 0.000 0.823 167 A CB 0.695 19.782 19.000 0.144 0.000 1.097 167 A HN 0.456 nan 8.150 nan 0.000 0.491 168 D N 1.651 122.087 120.400 0.060 0.000 2.417 168 D HA 0.208 4.852 4.640 0.006 0.000 0.250 168 D C -1.616 174.713 176.300 0.048 0.000 1.166 168 D CA -1.581 52.445 54.000 0.043 0.000 0.881 168 D CB 1.055 41.867 40.800 0.021 0.000 1.164 168 D HN 0.110 nan 8.370 nan 0.000 0.467 169 P HA -0.144 nan 4.420 nan 0.000 0.217 169 P C 0.989 178.359 177.300 0.118 0.000 1.148 169 P CA 0.960 64.115 63.100 0.090 0.000 0.828 169 P CB 0.236 31.984 31.700 0.081 0.000 0.783 170 Q N -0.923 118.911 119.800 0.056 0.000 2.541 170 Q HA 0.003 4.346 4.340 0.006 0.000 0.215 170 Q C 1.890 177.790 176.000 -0.166 0.000 0.977 170 Q CA 0.815 56.620 55.803 0.003 0.000 0.934 170 Q CB -0.784 27.973 28.738 0.031 0.000 0.988 170 Q HN 0.281 nan 8.270 nan 0.000 0.521 171 S N 0.471 116.083 115.700 -0.147 0.000 2.447 171 S HA -0.132 4.342 4.470 0.006 0.000 0.233 171 S C 1.594 175.834 174.600 -0.600 0.000 1.006 171 S CA 0.904 58.956 58.200 -0.247 0.000 0.957 171 S CB -0.349 62.785 63.200 -0.109 0.000 0.773 171 S HN 0.631 nan 8.310 nan 0.000 0.507 172 H N 0.568 119.248 119.070 -0.650 0.000 2.489 172 H HA -0.094 4.466 4.556 0.006 0.000 0.295 172 H C 1.275 176.159 175.328 -0.739 0.000 1.082 172 H CA 1.439 56.834 56.048 -1.088 0.000 1.295 172 H CB -0.715 28.782 29.762 -0.442 0.000 1.380 172 H HN 0.492 nan 8.280 nan 0.000 0.548 173 H N 0.736 119.271 119.070 -0.892 0.000 2.545 173 H HA 0.026 4.586 4.556 0.006 0.000 0.282 173 H C 2.299 177.469 175.328 -0.263 0.000 1.020 173 H CA 0.869 56.615 56.048 -0.503 0.000 1.243 173 H CB 0.342 29.831 29.762 -0.456 0.000 1.377 173 H HN 0.425 nan 8.280 nan 0.000 0.581 174 L N -0.898 120.193 121.223 -0.219 0.000 2.202 174 L HA -0.061 4.283 4.340 0.006 0.000 0.205 174 L C 2.091 179.044 176.870 0.139 0.000 1.083 174 L CA 0.087 54.911 54.840 -0.026 0.000 0.790 174 L CB -0.392 41.661 42.059 -0.011 0.000 0.942 174 L HN 0.012 nan 8.230 nan 0.000 0.452 175 F N 1.056 121.069 119.950 0.104 0.000 2.048 175 F HA -0.319 4.212 4.527 0.006 0.000 0.296 175 F C 1.786 177.653 175.800 0.111 0.000 1.109 175 F CA 1.286 59.350 58.000 0.107 0.000 1.214 175 F CB -0.869 38.193 39.000 0.103 0.000 0.963 175 F HN 0.187 nan 8.300 nan 0.000 0.491 176 D N -0.199 120.387 120.400 0.310 0.000 2.463 176 D HA 0.067 4.711 4.640 0.006 0.000 0.224 176 D C 0.303 176.719 176.300 0.194 0.000 1.174 176 D CA -0.074 54.062 54.000 0.225 0.000 0.829 176 D CB -0.048 40.868 40.800 0.194 0.000 0.993 176 D HN 0.161 nan 8.370 nan 0.000 0.497 177 R N 1.110 121.723 120.500 0.189 0.000 2.522 177 R HA 0.054 4.397 4.340 0.006 0.000 0.284 177 R C 0.256 176.640 176.300 0.139 0.000 1.032 177 R CA 0.292 56.467 56.100 0.125 0.000 1.049 177 R CB 0.566 30.907 30.300 0.069 0.000 0.956 177 R HN 0.148 nan 8.270 nan 0.000 0.422 178 H N 3.299 122.378 119.070 0.015 0.000 2.708 178 H HA 0.256 4.815 4.556 0.006 0.000 0.320 178 H C -1.298 173.996 175.328 -0.056 0.000 0.991 178 H CA -0.587 55.474 56.048 0.023 0.000 1.243 178 H CB 1.007 30.790 29.762 0.034 0.000 1.446 178 H HN 0.214 nan 8.280 nan 0.000 0.502 179 V N 4.412 124.236 119.914 -0.151 0.000 2.398 179 V HA 0.264 4.388 4.120 0.006 0.000 0.286 179 V C 0.377 176.470 176.094 -0.001 0.000 1.026 179 V CA -0.532 61.704 62.300 -0.105 0.000 0.868 179 V CB 1.439 33.091 31.823 -0.286 0.000 0.982 179 V HN 0.755 nan 8.190 nan 0.000 0.443 180 S N 2.755 118.503 115.700 0.079 0.000 2.503 180 S HA 0.607 5.081 4.470 0.006 0.000 0.301 180 S C 0.417 175.034 174.600 0.029 0.000 1.087 180 S CA 0.086 58.342 58.200 0.092 0.000 1.042 180 S CB 1.827 65.114 63.200 0.144 0.000 1.043 180 S HN 0.983 nan 8.310 nan 0.000 0.489 181 S N 1.893 117.604 115.700 0.019 0.000 2.937 181 S HA 0.203 4.676 4.470 0.006 0.000 0.252 181 S C 0.225 174.823 174.600 -0.002 0.000 1.022 181 S CA -0.334 57.864 58.200 -0.004 0.000 1.079 181 S CB 0.199 63.385 63.200 -0.022 0.000 1.035 181 S HN 0.538 nan 8.310 nan 0.000 0.594 182 S N 2.788 118.497 115.700 0.015 0.000 4.120 182 S HA 0.421 4.895 4.470 0.006 0.000 0.215 182 S C 0.283 174.886 174.600 0.004 0.000 1.347 182 S CA -0.214 57.993 58.200 0.012 0.000 0.889 182 S CB -1.263 61.954 63.200 0.028 0.000 1.585 182 S HN 0.725 nan 8.310 nan 0.000 0.447 183 V N 2.643 122.554 119.914 -0.005 0.000 3.019 183 V HA 0.999 5.123 4.120 0.006 0.000 0.317 183 V C -0.700 175.388 176.094 -0.010 0.000 1.094 183 V CA -1.371 60.924 62.300 -0.008 0.000 1.000 183 V CB 1.905 33.720 31.823 -0.012 0.000 1.060 183 V HN 0.725 nan 8.190 nan 0.000 0.443 184 R N 1.835 122.330 120.500 -0.009 0.000 2.739 184 R HA 0.733 5.077 4.340 0.006 0.000 0.271 184 R C -1.028 175.267 176.300 -0.009 0.000 1.010 184 R CA -0.974 55.120 56.100 -0.009 0.000 0.897 184 R CB 0.609 30.906 30.300 -0.005 0.000 1.236 184 R HN 0.856 nan 8.270 nan 0.000 0.466 185 L N 2.091 123.308 121.223 -0.009 0.000 2.573 185 L HA 0.083 4.427 4.340 0.006 0.000 0.290 185 L C -0.363 176.502 176.870 -0.007 0.000 1.247 185 L CA 0.683 55.518 54.840 -0.009 0.000 0.876 185 L CB -0.193 41.861 42.059 -0.009 0.000 1.123 185 L HN 0.940 nan 8.230 nan 0.000 0.505 186 N N 1.996 120.691 118.700 -0.008 0.000 2.344 186 N HA -0.031 4.713 4.740 0.006 0.000 0.236 186 N C 0.466 175.973 175.510 -0.005 0.000 1.279 186 N CA 0.093 53.140 53.050 -0.006 0.000 0.882 186 N CB 0.235 38.718 38.487 -0.007 0.000 1.110 186 N HN 0.600 nan 8.380 nan 0.000 0.436 187 D N -0.083 120.315 120.400 -0.004 0.000 2.127 187 D HA -0.288 4.356 4.640 0.006 0.000 0.190 187 D C 1.568 177.867 176.300 -0.002 0.000 1.000 187 D CA 1.659 55.657 54.000 -0.003 0.000 0.839 187 D CB -0.506 40.292 40.800 -0.003 0.000 0.955 187 D HN 0.831 nan 8.370 nan 0.000 0.446 188 Q N 0.327 120.125 119.800 -0.003 0.000 2.045 188 Q HA -0.204 4.139 4.340 0.006 0.000 0.206 188 Q C 1.353 177.351 176.000 -0.002 0.000 0.991 188 Q CA 1.929 57.731 55.803 -0.002 0.000 0.851 188 Q CB 0.020 28.756 28.738 -0.003 0.000 0.911 188 Q HN 0.155 nan 8.270 nan 0.000 0.418 189 D N 0.231 120.628 120.400 -0.004 0.000 2.178 189 D HA -0.125 4.518 4.640 0.006 0.000 0.202 189 D C 1.840 178.138 176.300 -0.003 0.000 0.974 189 D CA 0.507 54.504 54.000 -0.004 0.000 0.841 189 D CB -0.148 40.648 40.800 -0.006 0.000 0.953 189 D HN 0.231 nan 8.370 nan 0.000 0.478 190 L N 1.104 122.326 121.223 -0.003 0.000 2.056 190 L HA -0.119 4.225 4.340 0.006 0.000 0.207 190 L C 1.376 178.246 176.870 0.000 0.000 1.078 190 L CA 1.775 56.614 54.840 -0.002 0.000 0.749 190 L CB -0.436 41.622 42.059 -0.001 0.000 0.901 190 L HN -0.154 nan 8.230 nan 0.000 0.433 191 D N -0.301 120.100 120.400 0.001 0.000 2.117 191 D HA -0.180 4.464 4.640 0.006 0.000 0.197 191 D C 2.346 178.647 176.300 0.002 0.000 0.987 191 D CA 1.720 55.721 54.000 0.002 0.000 0.829 191 D CB -0.063 40.738 40.800 0.002 0.000 0.961 191 D HN 0.435 nan 8.370 nan 0.000 0.460 192 I N 0.579 121.150 120.570 0.001 0.000 2.208 192 I HA -0.254 3.920 4.170 0.006 0.000 0.245 192 I C 2.403 178.521 176.117 0.002 0.000 1.097 192 I CA 0.537 61.837 61.300 0.001 0.000 1.363 192 I CB -0.153 37.846 38.000 -0.000 0.000 1.051 192 I HN 0.023 nan 8.210 nan 0.000 0.413 193 L N 0.630 121.854 121.223 0.001 0.000 2.027 193 L HA -0.133 4.211 4.340 0.006 0.000 0.206 193 L C 2.416 179.289 176.870 0.005 0.000 1.074 193 L CA 1.782 56.623 54.840 0.002 0.000 0.745 193 L CB -0.577 41.482 42.059 -0.000 0.000 0.898 193 L HN -0.037 nan 8.230 nan 0.000 0.433 194 V N 0.006 119.924 119.914 0.006 0.000 2.332 194 V HA -0.327 3.796 4.120 0.006 0.000 0.248 194 V C 2.628 178.728 176.094 0.009 0.000 1.055 194 V CA 2.171 64.476 62.300 0.008 0.000 1.038 194 V CB -0.811 31.016 31.823 0.008 0.000 0.651 194 V HN 0.474 nan 8.190 nan 0.000 0.450 195 K N 0.190 120.594 120.400 0.008 0.000 2.057 195 K HA -0.127 4.197 4.320 0.006 0.000 0.207 195 K C 2.333 178.939 176.600 0.010 0.000 1.049 195 K CA 1.443 57.735 56.287 0.008 0.000 0.931 195 K CB -0.424 32.080 32.500 0.007 0.000 0.714 195 K HN 0.485 nan 8.250 nan 0.000 0.440 196 A N 1.484 124.310 122.820 0.009 0.000 1.902 196 A HA -0.137 4.187 4.320 0.006 0.000 0.217 196 A C 2.116 179.709 177.584 0.015 0.000 1.181 196 A CA 1.263 53.307 52.037 0.011 0.000 0.623 196 A CB -0.589 18.417 19.000 0.009 0.000 0.818 196 A HN 0.152 nan 8.150 nan 0.000 0.443 197 L N -0.504 120.728 121.223 0.015 0.000 2.056 197 L HA -0.164 4.180 4.340 0.006 0.000 0.207 197 L C 2.184 179.066 176.870 0.021 0.000 1.078 197 L CA 1.130 55.981 54.840 0.019 0.000 0.749 197 L CB -0.651 41.418 42.059 0.017 0.000 0.901 197 L HN 0.330 nan 8.230 nan 0.000 0.433 198 N N -0.342 118.368 118.700 0.018 0.000 2.223 198 N HA -0.123 4.621 4.740 0.006 0.000 0.185 198 N C 1.925 177.446 175.510 0.018 0.000 1.016 198 N CA 1.295 54.355 53.050 0.018 0.000 0.863 198 N CB -0.119 38.377 38.487 0.015 0.000 0.983 198 N HN 0.179 nan 8.380 nan 0.000 0.429 199 S N 0.156 115.867 115.700 0.017 0.000 2.470 199 S HA 0.201 4.675 4.470 0.006 0.000 0.225 199 S C 0.872 175.485 174.600 0.021 0.000 1.006 199 S CA -0.169 58.041 58.200 0.017 0.000 0.934 199 S CB 0.015 63.223 63.200 0.014 0.000 0.778 199 S HN 0.430 nan 8.310 nan 0.000 0.517 200 A N 2.248 125.083 122.820 0.026 0.000 2.566 200 A HA 0.230 4.554 4.320 0.006 0.000 0.245 200 A C 1.418 179.024 177.584 0.036 0.000 1.056 200 A CA 0.293 52.351 52.037 0.034 0.000 0.757 200 A CB 0.081 19.107 19.000 0.043 0.000 0.979 200 A HN 0.441 nan 8.150 nan 0.000 0.508 201 S N 1.528 117.248 115.700 0.033 0.000 2.446 201 S HA -0.021 4.453 4.470 0.006 0.000 0.225 201 S C 0.733 175.356 174.600 0.037 0.000 1.016 201 S CA 0.938 59.155 58.200 0.027 0.000 0.943 201 S CB -0.122 63.087 63.200 0.015 0.000 0.786 201 S HN 0.831 nan 8.310 nan 0.000 0.508 202 N N 1.901 120.636 118.700 0.059 0.000 2.697 202 N HA 0.351 5.095 4.740 0.006 0.000 0.253 202 N C -3.206 172.448 175.510 0.240 0.000 1.604 202 N CA -1.719 51.391 53.050 0.100 0.000 0.772 202 N CB 1.287 39.773 38.487 -0.001 0.000 1.267 202 N HN 0.132 nan 8.380 nan 0.000 0.510 203 P HA 0.326 nan 4.420 nan 0.000 0.272 203 P C -1.012 176.346 177.300 0.097 0.000 1.230 203 P CA -0.275 62.905 63.100 0.134 0.000 0.788 203 P CB 1.444 33.185 31.700 0.067 0.000 0.949 204 A N 2.304 125.100 122.820 -0.040 0.000 2.486 204 A HA 0.725 5.048 4.320 0.006 0.000 0.300 204 A C -0.825 176.714 177.584 -0.074 0.000 1.048 204 A CA -0.770 51.151 52.037 -0.194 0.000 0.696 204 A CB 1.110 19.780 19.000 -0.549 0.000 1.278 204 A HN 0.430 nan 8.150 nan 0.000 0.405 205 I N 1.654 122.190 120.570 -0.057 0.000 2.433 205 I HA 0.511 4.684 4.170 0.006 0.000 0.292 205 I C -0.935 175.177 176.117 -0.007 0.000 1.001 205 I CA -1.001 60.271 61.300 -0.047 0.000 1.119 205 I CB 2.133 40.070 38.000 -0.106 0.000 1.289 205 I HN 0.317 nan 8.210 nan 0.000 0.438 206 V N 7.089 127.011 119.914 0.013 0.000 2.444 206 V HA 0.465 4.589 4.120 0.006 0.000 0.294 206 V C -0.172 175.937 176.094 0.023 0.000 1.022 206 V CA -0.513 61.806 62.300 0.031 0.000 0.850 206 V CB 1.840 33.695 31.823 0.053 0.000 0.992 206 V HN 0.471 nan 8.190 nan 0.000 0.426 207 L N 4.059 125.286 121.223 0.006 0.000 2.325 207 L HA 0.863 5.207 4.340 0.006 0.000 0.278 207 L C 0.771 177.673 176.870 0.053 0.000 1.023 207 L CA -0.297 54.562 54.840 0.032 0.000 0.811 207 L CB 1.851 43.933 42.059 0.038 0.000 1.249 207 L HN 0.745 nan 8.230 nan 0.000 0.431 208 G N 0.956 109.796 108.800 0.067 0.000 2.667 208 G HA2 0.497 4.461 3.960 0.006 0.000 0.310 208 G HA3 0.497 4.461 3.960 0.006 0.000 0.310 208 G C -1.967 172.993 174.900 0.099 0.000 1.259 208 G CA -1.018 44.127 45.100 0.076 0.000 1.019 208 G HN 0.423 nan 8.290 nan 0.000 0.496 209 P HA -0.124 nan 4.420 nan 0.000 0.216 209 P C 0.669 178.043 177.300 0.123 0.000 1.150 209 P CA 1.177 64.354 63.100 0.129 0.000 0.837 209 P CB 0.244 32.018 31.700 0.123 0.000 0.786 210 D N -0.361 120.113 120.400 0.122 0.000 2.309 210 D HA -0.076 4.567 4.640 0.006 0.000 0.212 210 D C 2.030 178.376 176.300 0.076 0.000 0.968 210 D CA 0.656 54.721 54.000 0.108 0.000 0.882 210 D CB -0.281 40.577 40.800 0.097 0.000 0.918 210 D HN 0.094 nan 8.370 nan 0.000 0.503 211 V N 1.043 121.006 119.914 0.081 0.000 2.307 211 V HA -0.228 3.896 4.120 0.006 0.000 0.245 211 V C 2.197 178.336 176.094 0.075 0.000 1.045 211 V CA 1.830 64.175 62.300 0.075 0.000 1.024 211 V CB -0.346 31.532 31.823 0.091 0.000 0.651 211 V HN 0.067 nan 8.190 nan 0.000 0.449 212 D N 0.071 120.523 120.400 0.087 0.000 2.144 212 D HA -0.114 4.530 4.640 0.006 0.000 0.200 212 D C 2.088 178.435 176.300 0.078 0.000 0.978 212 D CA 1.358 55.402 54.000 0.075 0.000 0.833 212 D CB -0.109 40.733 40.800 0.070 0.000 0.961 212 D HN 0.362 nan 8.370 nan 0.000 0.470 213 A N 0.300 123.175 122.820 0.092 0.000 1.933 213 A HA 0.055 4.379 4.320 0.006 0.000 0.218 213 A C 2.233 179.853 177.584 0.060 0.000 1.175 213 A CA 1.881 53.973 52.037 0.091 0.000 0.628 213 A CB -0.776 18.284 19.000 0.099 0.000 0.814 213 A HN 0.301 nan 8.150 nan 0.000 0.444 214 A N -1.262 121.587 122.820 0.049 0.000 2.251 214 A HA 0.250 4.574 4.320 0.006 0.000 0.209 214 A C 0.921 178.524 177.584 0.032 0.000 1.187 214 A CA 0.819 52.876 52.037 0.033 0.000 0.823 214 A CB -0.617 18.398 19.000 0.025 0.000 0.846 214 A HN 0.823 nan 8.150 nan 0.000 0.486 215 N N -2.195 116.528 118.700 0.037 0.000 2.740 215 N HA -0.226 4.518 4.740 0.006 0.000 0.248 215 N C 0.411 175.935 175.510 0.024 0.000 1.062 215 N CA 1.022 54.089 53.050 0.028 0.000 0.704 215 N CB -1.353 37.147 38.487 0.021 0.000 0.968 215 N HN 0.548 nan 8.380 nan 0.000 0.547 216 A N -0.659 122.181 122.820 0.034 0.000 2.345 216 A HA 0.214 4.538 4.320 0.006 0.000 0.225 216 A C 1.639 179.249 177.584 0.044 0.000 1.243 216 A CA 0.442 52.500 52.037 0.035 0.000 0.875 216 A CB -0.077 18.947 19.000 0.040 0.000 0.929 216 A HN 0.535 nan 8.150 nan 0.000 0.502 217 N N 1.895 120.616 118.700 0.036 0.000 2.018 217 N HA -0.214 4.530 4.740 0.006 0.000 0.196 217 N C 1.896 177.396 175.510 -0.018 0.000 1.043 217 N CA 2.040 55.105 53.050 0.025 0.000 0.856 217 N CB -0.524 37.952 38.487 -0.019 0.000 1.042 217 N HN 0.450 nan 8.380 nan 0.000 0.423 218 A N 1.206 124.005 122.820 -0.035 0.000 1.873 218 A HA -0.220 4.104 4.320 0.006 0.000 0.218 218 A C 1.785 179.363 177.584 -0.010 0.000 1.193 218 A CA 2.049 54.058 52.037 -0.046 0.000 0.629 218 A CB -0.818 18.164 19.000 -0.030 0.000 0.826 218 A HN 0.205 nan 8.150 nan 0.000 0.447 219 D N -0.636 119.773 120.400 0.014 0.000 2.149 219 D HA -0.127 4.517 4.640 0.006 0.000 0.198 219 D C 2.010 178.345 176.300 0.059 0.000 0.990 219 D CA 1.402 55.420 54.000 0.031 0.000 0.839 219 D CB -0.550 40.267 40.800 0.028 0.000 0.948 219 D HN 0.468 nan 8.370 nan 0.000 0.460 220 C N 0.084 119.439 119.300 0.092 0.000 2.435 220 C HA -0.033 4.430 4.460 0.006 0.000 0.279 220 C C 2.912 178.065 174.990 0.271 0.000 1.321 220 C CA -0.023 59.095 59.018 0.166 0.000 1.752 220 C CB -0.708 27.166 27.740 0.223 0.000 1.959 220 C HN 0.168 nan 8.230 nan 0.000 0.500 221 V N 0.979 120.995 119.914 0.169 0.000 2.295 221 V HA -0.310 3.814 4.120 0.006 0.000 0.246 221 V C 2.391 178.535 176.094 0.083 0.000 1.049 221 V CA 2.433 64.747 62.300 0.024 0.000 1.024 221 V CB -0.666 30.994 31.823 -0.273 0.000 0.648 221 V HN 0.617 nan 8.190 nan 0.000 0.447 222 M N -0.306 119.330 119.600 0.061 0.000 2.065 222 M HA -0.197 4.286 4.480 0.006 0.000 0.259 222 M C 2.069 178.412 176.300 0.072 0.000 1.069 222 M CA 2.125 57.463 55.300 0.063 0.000 1.110 222 M CB -0.429 32.196 32.600 0.041 0.000 1.328 222 M HN 0.290 nan 8.290 nan 0.000 0.405 223 L N 0.860 122.124 121.223 0.068 0.000 2.043 223 L HA -0.162 4.182 4.340 0.006 0.000 0.212 223 L C 2.434 179.338 176.870 0.057 0.000 1.075 223 L CA 2.447 57.320 54.840 0.056 0.000 0.752 223 L CB -1.200 40.888 42.059 0.049 0.000 0.891 223 L HN 0.435 nan 8.230 nan 0.000 0.432 224 A N -1.007 121.859 122.820 0.076 0.000 1.933 224 A HA -0.210 4.113 4.320 0.006 0.000 0.218 224 A C 2.137 179.775 177.584 0.089 0.000 1.175 224 A CA 1.768 53.837 52.037 0.053 0.000 0.628 224 A CB -0.588 18.436 19.000 0.040 0.000 0.814 224 A HN 0.651 nan 8.150 nan 0.000 0.444 225 E N -0.538 119.738 120.200 0.126 0.000 2.107 225 E HA -0.146 4.208 4.350 0.006 0.000 0.191 225 E C 2.281 178.933 176.600 0.087 0.000 0.982 225 E CA 0.732 57.216 56.400 0.140 0.000 0.809 225 E CB -0.147 29.651 29.700 0.163 0.000 0.756 225 E HN 0.424 nan 8.360 nan 0.000 0.459 226 R N 0.757 121.298 120.500 0.068 0.000 2.073 226 R HA -0.073 4.271 4.340 0.006 0.000 0.234 226 R C 2.357 178.683 176.300 0.045 0.000 1.134 226 R CA 0.957 57.086 56.100 0.049 0.000 0.952 226 R CB -0.756 29.569 30.300 0.041 0.000 0.850 226 R HN 0.248 nan 8.270 nan 0.000 0.433 227 L N 1.426 122.675 121.223 0.044 0.000 2.552 227 L HA 0.030 4.374 4.340 0.006 0.000 0.227 227 L C 0.157 177.053 176.870 0.045 0.000 1.146 227 L CA 0.194 55.058 54.840 0.039 0.000 0.858 227 L CB -0.220 41.858 42.059 0.031 0.000 0.969 227 L HN 0.069 nan 8.230 nan 0.000 0.451 228 K N -0.205 120.227 120.400 0.054 0.000 3.077 228 K HA -0.180 4.144 4.320 0.006 0.000 0.264 228 K C -0.019 176.612 176.600 0.053 0.000 1.008 228 K CA 0.876 57.199 56.287 0.060 0.000 0.740 228 K CB -1.923 30.607 32.500 0.050 0.000 1.273 228 K HN 0.365 nan 8.250 nan 0.000 0.477 229 A N 0.937 123.779 122.820 0.037 0.000 2.337 229 A HA 0.734 5.057 4.320 0.006 0.000 0.331 229 A C -2.208 175.346 177.584 -0.050 0.000 1.137 229 A CA -1.465 50.578 52.037 0.010 0.000 0.807 229 A CB 1.198 20.196 19.000 -0.003 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.343 nan 4.420 nan 0.000 0.275 230 P C -0.835 176.250 177.300 -0.359 0.000 1.228 230 P CA -0.029 62.927 63.100 -0.240 0.000 0.786 230 P CB 1.153 32.716 31.700 -0.229 0.000 0.927 231 V N 2.951 122.531 119.914 -0.556 0.000 2.487 231 V HA 0.373 4.496 4.120 0.006 0.000 0.298 231 V C -0.569 175.107 176.094 -0.697 0.000 1.028 231 V CA -0.278 61.673 62.300 -0.582 0.000 0.860 231 V CB 1.279 32.539 31.823 -0.939 0.000 0.991 231 V HN 0.595 nan 8.190 nan 0.000 0.427 232 W N 2.571 123.638 121.300 -0.388 0.000 2.719 232 W HA 0.756 5.420 4.660 0.006 0.000 0.352 232 W C -0.560 175.779 176.519 -0.299 0.000 1.085 232 W CA -0.906 56.186 57.345 -0.422 0.000 1.187 232 W CB 1.533 30.758 29.460 -0.391 0.000 1.417 232 W HN 0.275 nan 8.180 nan 0.000 0.557 233 V N 2.862 122.733 119.914 -0.071 0.000 2.427 233 V HA 0.587 4.710 4.120 0.006 0.000 0.286 233 V C 0.557 176.537 176.094 -0.189 0.000 1.034 233 V CA -1.268 60.964 62.300 -0.113 0.000 0.893 233 V CB 0.454 32.104 31.823 -0.288 0.000 0.982 233 V HN 0.693 nan 8.190 nan 0.000 0.452 234 A N 8.456 131.202 122.820 -0.122 0.000 2.555 234 A HA 0.362 4.686 4.320 0.006 0.000 0.233 234 A C -1.807 175.656 177.584 -0.203 0.000 1.060 234 A CA -0.635 51.310 52.037 -0.154 0.000 0.759 234 A CB -0.420 18.574 19.000 -0.010 0.000 0.995 234 A HN 0.705 nan 8.150 nan 0.000 0.506 235 P HA 0.045 nan 4.420 nan 0.000 0.268 235 P C 0.011 177.250 177.300 -0.102 0.000 1.208 235 P CA 0.712 63.692 63.100 -0.200 0.000 0.777 235 P CB 0.515 32.102 31.700 -0.189 0.000 0.875 236 S N -1.381 114.268 115.700 -0.086 0.000 3.635 236 S HA -0.179 4.294 4.470 0.006 0.000 0.328 236 S C 0.671 175.316 174.600 0.075 0.000 1.135 236 S CA 0.701 58.907 58.200 0.010 0.000 0.942 236 S CB -2.244 61.008 63.200 0.088 0.000 0.930 236 S HN 0.976 nan 8.310 nan 0.000 0.512 237 A N 0.774 123.595 122.820 0.002 0.000 2.563 237 A HA 0.305 4.629 4.320 0.006 0.000 0.256 237 A C -0.602 177.244 177.584 0.436 0.000 1.056 237 A CA -0.153 51.981 52.037 0.162 0.000 0.775 237 A CB 0.067 19.112 19.000 0.075 0.000 0.973 237 A HN 0.322 nan 8.150 nan 0.000 0.516 238 P HA 0.079 nan 4.420 nan 0.000 0.239 238 P C 0.192 177.717 177.300 0.374 0.000 1.188 238 P CA 0.765 64.090 63.100 0.375 0.000 0.794 238 P CB 0.373 32.179 31.700 0.177 0.000 0.937 239 R N -2.663 118.072 120.500 0.391 0.000 2.781 239 R HA 0.540 4.883 4.340 0.006 0.000 0.269 239 R C -1.465 175.086 176.300 0.418 0.000 1.025 239 R CA -0.795 55.478 56.100 0.290 0.000 0.914 239 R CB 1.089 31.451 30.300 0.103 0.000 1.236 239 R HN -0.151 nan 8.270 nan 0.000 0.465 240 C N 2.963 122.428 119.300 0.275 0.000 2.264 240 C HA 0.526 4.990 4.460 0.006 0.000 0.324 240 C C -1.693 173.398 174.990 0.168 0.000 1.267 240 C CA -1.880 57.315 59.018 0.295 0.000 1.618 240 C CB 0.678 28.438 27.740 0.033 0.000 2.278 240 C HN 0.628 nan 8.230 nan 0.000 0.499 241 P HA 0.223 nan 4.420 nan 0.000 0.268 241 P C -0.337 177.109 177.300 0.243 0.000 1.329 241 P CA 0.229 63.435 63.100 0.176 0.000 0.899 241 P CB 0.115 31.919 31.700 0.174 0.000 1.378 242 F N 1.753 121.672 119.950 -0.052 0.000 2.665 242 F HA 0.447 4.977 4.527 0.006 0.000 0.308 242 F C -2.612 173.008 175.800 -0.301 0.000 1.112 242 F CA -2.303 55.612 58.000 -0.143 0.000 0.972 242 F CB 2.159 41.108 39.000 -0.084 0.000 1.295 242 F HN -0.332 nan 8.300 nan 0.000 0.440 243 P HA 0.072 nan 4.420 nan 0.000 0.270 243 P C 0.482 177.525 177.300 -0.428 0.000 1.242 243 P CA 0.156 63.030 63.100 -0.378 0.000 0.768 243 P CB 0.756 32.257 31.700 -0.332 0.000 0.820 244 T N 0.939 115.172 114.554 -0.535 0.000 3.077 244 T HA -0.071 4.283 4.350 0.006 0.000 0.269 244 T C 1.145 175.782 174.700 -0.106 0.000 1.146 244 T CA 0.726 62.392 62.100 -0.723 0.000 1.091 244 T CB -0.349 68.307 68.868 -0.354 0.000 0.892 244 T HN 0.241 nan 8.240 nan 0.000 0.533 245 R N 0.239 120.714 120.500 -0.042 0.000 2.508 245 R HA 0.208 4.551 4.340 0.006 0.000 0.300 245 R C 0.273 176.630 176.300 0.094 0.000 0.970 245 R CA -0.347 55.788 56.100 0.058 0.000 1.102 245 R CB -0.323 29.980 30.300 0.004 0.000 1.246 245 R HN 0.598 nan 8.270 nan 0.000 0.539 246 H N 3.362 122.451 119.070 0.031 0.000 2.815 246 H HA 0.066 4.626 4.556 0.006 0.000 0.350 246 H C -1.383 174.030 175.328 0.141 0.000 1.080 246 H CA -1.229 54.852 56.048 0.055 0.000 1.433 246 H CB 1.601 31.376 29.762 0.021 0.000 1.432 246 H HN -0.129 nan 8.280 nan 0.000 0.592 247 P HA -0.175 nan 4.420 nan 0.000 0.217 247 P C 1.379 178.819 177.300 0.233 0.000 1.148 247 P CA 1.250 64.383 63.100 0.055 0.000 0.834 247 P CB -0.063 31.580 31.700 -0.095 0.000 0.783 248 C N -2.242 117.409 119.300 0.586 0.000 2.464 248 C HA 0.119 4.582 4.460 0.006 0.000 0.278 248 C C 1.500 176.534 174.990 0.074 0.000 1.375 248 C CA -0.623 58.561 59.018 0.276 0.000 1.761 248 C CB -1.913 25.964 27.740 0.228 0.000 1.944 248 C HN 0.108 nan 8.230 nan 0.000 0.509 249 F N 2.275 122.274 119.950 0.082 0.000 2.623 249 F HA 0.087 4.618 4.527 0.006 0.000 0.383 249 F C 1.298 176.914 175.800 -0.305 0.000 1.077 249 F CA 0.553 58.489 58.000 -0.107 0.000 1.268 249 F CB 0.452 39.529 39.000 0.129 0.000 1.053 249 F HN 0.045 nan 8.300 nan 0.000 0.571 250 R N 3.771 123.507 120.500 -1.272 0.000 2.565 250 R HA 0.303 4.647 4.340 0.006 0.000 0.347 250 R C 0.612 176.120 176.300 -1.321 0.000 1.010 250 R CA 0.352 55.625 56.100 -1.378 0.000 1.126 250 R CB 0.017 28.988 30.300 -2.215 0.000 1.331 250 R HN 0.973 nan 8.270 nan 0.000 0.552 251 G N 1.345 109.018 108.800 -1.878 0.000 2.698 251 G HA2 -0.281 3.683 3.960 0.006 0.000 0.225 251 G HA3 -0.281 3.683 3.960 0.006 0.000 0.225 251 G C -0.920 173.608 174.900 -0.621 0.000 1.345 251 G CA -0.472 43.981 45.100 -1.078 0.000 0.871 251 G HN 0.195 nan 8.290 nan 0.000 0.540 252 L N 0.729 121.660 121.223 -0.487 0.000 2.319 252 L HA 0.703 5.046 4.340 0.006 0.000 0.280 252 L C 1.064 177.741 176.870 -0.322 0.000 1.099 252 L CA -0.237 54.235 54.840 -0.613 0.000 0.828 252 L CB 0.578 42.008 42.059 -1.049 0.000 1.150 252 L HN 0.608 nan 8.230 nan 0.000 0.442 253 M N 7.818 127.244 119.600 -0.289 0.000 2.228 253 M HA 0.273 4.756 4.480 0.006 0.000 0.351 253 M C -1.991 174.146 176.300 -0.270 0.000 1.233 253 M CA -1.514 53.605 55.300 -0.302 0.000 1.129 253 M CB 0.480 32.812 32.600 -0.446 0.000 1.604 253 M HN 0.493 nan 8.290 nan 0.000 0.457 254 P HA 0.093 nan 4.420 nan 0.000 0.271 254 P C -0.680 176.559 177.300 -0.101 0.000 1.216 254 P CA -0.194 62.821 63.100 -0.142 0.000 0.776 254 P CB 0.568 32.202 31.700 -0.110 0.000 0.881 255 A N 2.969 125.772 122.820 -0.029 0.000 2.900 255 A HA 0.413 4.736 4.320 0.006 0.000 0.246 255 A C 0.944 178.651 177.584 0.204 0.000 1.725 255 A CA 0.126 52.219 52.037 0.093 0.000 1.400 255 A CB -1.422 17.672 19.000 0.156 0.000 0.973 255 A HN 0.640 nan 8.150 nan 0.000 0.635 256 G N -0.844 108.040 108.800 0.140 0.000 2.542 256 G HA2 0.491 4.455 3.960 0.006 0.000 0.311 256 G HA3 0.491 4.455 3.960 0.006 0.000 0.311 256 G C 0.656 175.542 174.900 -0.023 0.000 1.298 256 G CA -0.641 44.482 45.100 0.039 0.000 0.973 256 G HN 0.176 nan 8.290 nan 0.000 0.487 257 I N 1.640 121.984 120.570 -0.376 0.000 2.099 257 I HA -0.254 3.920 4.170 0.006 0.000 0.239 257 I C 3.086 179.093 176.117 -0.184 0.000 1.066 257 I CA 1.852 62.874 61.300 -0.462 0.000 1.324 257 I CB -0.124 37.479 38.000 -0.661 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.710 123.398 122.820 -0.220 0.000 1.877 258 A HA -0.196 4.128 4.320 0.006 0.000 0.216 258 A C 2.555 180.063 177.584 -0.126 0.000 1.186 258 A CA 1.994 53.932 52.037 -0.164 0.000 0.620 258 A CB -1.020 17.874 19.000 -0.176 0.000 0.822 258 A HN 0.459 nan 8.150 nan 0.000 0.443 259 A N -0.147 122.598 122.820 -0.124 0.000 1.917 259 A HA -0.169 4.155 4.320 0.006 0.000 0.219 259 A C 2.151 179.627 177.584 -0.179 0.000 1.182 259 A CA 1.783 53.742 52.037 -0.130 0.000 0.633 259 A CB -0.631 18.299 19.000 -0.116 0.000 0.819 259 A HN 0.532 nan 8.150 nan 0.000 0.448 260 I N 0.332 120.803 120.570 -0.165 0.000 2.286 260 I HA -0.200 3.973 4.170 0.006 0.000 0.245 260 I C 2.825 178.826 176.117 -0.192 0.000 1.104 260 I CA 1.450 62.596 61.300 -0.257 0.000 1.397 260 I CB -0.287 37.562 38.000 -0.253 0.000 1.072 260 I HN 0.519 nan 8.210 nan 0.000 0.417 261 S N 0.184 115.841 115.700 -0.072 0.000 2.423 261 S HA -0.248 4.226 4.470 0.006 0.000 0.231 261 S C 1.896 176.455 174.600 -0.069 0.000 1.014 261 S CA 1.014 59.196 58.200 -0.030 0.000 0.965 261 S CB -0.314 62.888 63.200 0.003 0.000 0.785 261 S HN 0.346 nan 8.310 nan 0.000 0.495 262 Q N 1.102 120.841 119.800 -0.101 0.000 2.046 262 Q HA 0.100 4.444 4.340 0.006 0.000 0.200 262 Q C 1.974 177.907 176.000 -0.111 0.000 0.975 262 Q CA 1.215 56.962 55.803 -0.092 0.000 0.836 262 Q CB -0.823 27.857 28.738 -0.096 0.000 0.896 262 Q HN 0.458 nan 8.270 nan 0.000 0.428 263 L N -0.144 120.953 121.223 -0.210 0.000 2.042 263 L HA -0.135 4.208 4.340 0.006 0.000 0.210 263 L C 2.013 178.763 176.870 -0.199 0.000 1.076 263 L CA 1.655 56.303 54.840 -0.320 0.000 0.749 263 L CB -0.605 41.012 42.059 -0.736 0.000 0.893 263 L HN 0.314 nan 8.230 nan 0.000 0.432 264 L N -1.046 120.067 121.223 -0.183 0.000 2.554 264 L HA -0.023 4.320 4.340 0.006 0.000 0.226 264 L C 1.011 177.956 176.870 0.125 0.000 1.137 264 L CA -0.175 54.660 54.840 -0.009 0.000 0.863 264 L CB -0.430 41.590 42.059 -0.064 0.000 0.985 264 L HN 0.264 nan 8.230 nan 0.000 0.451 265 E N 0.559 120.783 120.200 0.040 0.000 2.452 265 E HA 0.111 4.465 4.350 0.006 0.000 0.261 265 E C 1.132 177.721 176.600 -0.018 0.000 0.987 265 E CA 0.848 57.256 56.400 0.015 0.000 0.926 265 E CB 0.391 30.082 29.700 -0.015 0.000 0.934 265 E HN 0.296 nan 8.360 nan 0.000 0.452 266 G N 4.092 112.861 108.800 -0.051 0.000 2.234 266 G HA2 -0.219 3.745 3.960 0.006 0.000 0.235 266 G HA3 -0.219 3.745 3.960 0.006 0.000 0.235 266 G C -0.115 174.644 174.900 -0.234 0.000 0.997 266 G CA 0.042 45.052 45.100 -0.150 0.000 0.623 266 G HN 0.709 nan 8.290 nan 0.000 0.514 267 H N 1.864 120.942 119.070 0.015 0.000 2.594 267 H HA 0.260 4.820 4.556 0.006 0.000 0.304 267 H C 1.192 176.531 175.328 0.018 0.000 1.068 267 H CA 0.258 56.319 56.048 0.023 0.000 1.308 267 H CB 1.433 31.215 29.762 0.033 0.000 1.409 267 H HN 0.474 nan 8.280 nan 0.000 0.460 268 D N 2.447 122.908 120.400 0.101 0.000 2.144 268 D HA -0.086 4.558 4.640 0.006 0.000 0.200 268 D C 0.485 176.827 176.300 0.070 0.000 0.978 268 D CA 0.581 54.620 54.000 0.065 0.000 0.833 268 D CB 0.366 41.191 40.800 0.040 0.000 0.961 268 D HN 0.109 nan 8.370 nan 0.000 0.470 269 V N 1.129 121.095 119.914 0.087 0.000 2.525 269 V HA 0.300 4.424 4.120 0.006 0.000 0.299 269 V C -0.483 175.647 176.094 0.061 0.000 1.034 269 V CA -0.975 61.362 62.300 0.062 0.000 0.863 269 V CB 2.484 34.334 31.823 0.045 0.000 0.999 269 V HN -0.069 nan 8.190 nan 0.000 0.423 270 V N 6.098 126.039 119.914 0.046 0.000 2.357 270 V HA 0.449 4.573 4.120 0.006 0.000 0.284 270 V C -0.404 175.704 176.094 0.023 0.000 1.018 270 V CA -0.564 61.753 62.300 0.030 0.000 0.841 270 V CB 1.616 33.466 31.823 0.045 0.000 0.991 270 V HN 0.655 nan 8.190 nan 0.000 0.437 271 L N 7.483 128.714 121.223 0.014 0.000 2.265 271 L HA 0.621 4.965 4.340 0.006 0.000 0.289 271 L C -0.349 176.532 176.870 0.018 0.000 1.033 271 L CA 0.208 55.053 54.840 0.010 0.000 0.814 271 L CB 1.437 43.498 42.059 0.004 0.000 1.203 271 L HN 0.440 nan 8.230 nan 0.000 0.423 272 V N 6.869 126.794 119.914 0.019 0.000 2.398 272 V HA 0.508 4.631 4.120 0.006 0.000 0.286 272 V C 0.127 176.230 176.094 0.015 0.000 1.026 272 V CA -0.434 61.889 62.300 0.038 0.000 0.868 272 V CB 1.455 33.306 31.823 0.047 0.000 0.982 272 V HN 0.600 nan 8.190 nan 0.000 0.443 273 I N 3.145 123.730 120.570 0.025 0.000 2.498 273 I HA 0.587 4.761 4.170 0.006 0.000 0.290 273 I C 1.003 177.139 176.117 0.033 0.000 1.032 273 I CA -0.586 60.726 61.300 0.021 0.000 1.073 273 I CB 1.863 39.877 38.000 0.023 0.000 1.251 273 I HN 0.828 nan 8.210 nan 0.000 0.426 274 G N 4.509 113.325 108.800 0.026 0.000 2.323 274 G HA2 -0.022 3.942 3.960 0.006 0.000 0.292 274 G HA3 -0.022 3.942 3.960 0.006 0.000 0.292 274 G C -0.060 174.876 174.900 0.061 0.000 1.040 274 G CA 0.447 45.572 45.100 0.042 0.000 0.942 274 G HN 1.087 nan 8.290 nan 0.000 0.506 275 A N -0.905 121.943 122.820 0.046 0.000 2.594 275 A HA 0.921 5.245 4.320 0.006 0.000 0.295 275 A C -2.938 174.654 177.584 0.013 0.000 1.071 275 A CA -1.340 50.728 52.037 0.051 0.000 0.685 275 A CB 1.754 20.799 19.000 0.075 0.000 1.285 275 A HN 0.097 nan 8.150 nan 0.000 0.405 276 P HA 0.396 nan 4.420 nan 0.000 0.277 276 P C -0.758 176.459 177.300 -0.138 0.000 1.240 276 P CA -0.238 62.828 63.100 -0.057 0.000 0.798 276 P CB 1.025 32.700 31.700 -0.041 0.000 0.979 277 V N 3.891 123.616 119.914 -0.315 0.000 2.259 277 V HA 0.394 4.517 4.120 0.006 0.000 0.267 277 V C -0.439 175.303 176.094 -0.587 0.000 1.051 277 V CA 0.061 61.889 62.300 -0.787 0.000 0.830 277 V CB -1.194 30.134 31.823 -0.825 0.000 1.080 277 V HN 0.461 nan 8.190 nan 0.000 0.467 278 F N 1.990 121.683 119.950 -0.428 0.000 2.599 278 F HA 0.560 5.091 4.527 0.006 0.000 0.311 278 F C 0.459 175.877 175.800 -0.637 0.000 1.076 278 F CA -1.301 56.348 58.000 -0.585 0.000 0.937 278 F CB 2.190 40.672 39.000 -0.864 0.000 1.282 278 F HN 0.148 nan 8.300 nan 0.000 0.460 279 R N 2.390 122.795 120.500 -0.159 0.000 3.688 279 R HA 0.197 4.541 4.340 0.006 0.000 0.194 279 R C -1.273 174.989 176.300 -0.064 0.000 1.677 279 R CA 0.009 56.054 56.100 -0.091 0.000 1.351 279 R CB -1.126 29.159 30.300 -0.025 0.000 1.338 279 R HN 0.432 nan 8.270 nan 0.000 0.731 280 Y N 0.541 120.918 120.300 0.129 0.000 2.335 280 Y HA 0.009 4.563 4.550 0.006 0.000 0.348 280 Y C 1.566 177.550 175.900 0.139 0.000 1.280 280 Y CA 0.217 58.391 58.100 0.124 0.000 1.504 280 Y CB 0.443 38.991 38.460 0.147 0.000 1.366 280 Y HN 0.482 nan 8.280 nan 0.000 0.621 281 H N -0.321 118.878 119.070 0.215 0.000 3.539 281 H HA 0.074 4.633 4.556 0.006 0.000 0.134 281 H C -0.077 175.300 175.328 0.081 0.000 1.139 281 H CA 0.413 56.528 56.048 0.110 0.000 1.031 281 H CB -0.039 29.759 29.762 0.059 0.000 1.174 281 H HN 0.677 nan 8.280 nan 0.000 0.297 282 Q N 1.153 121.067 119.800 0.190 0.000 2.454 282 Q HA -0.050 4.294 4.340 0.006 0.000 0.247 282 Q C -0.800 175.296 176.000 0.160 0.000 1.028 282 Q CA -0.208 55.629 55.803 0.057 0.000 0.910 282 Q CB 0.442 29.148 28.738 -0.054 0.000 1.276 282 Q HN 0.461 nan 8.270 nan 0.000 0.489 283 Y N 1.615 121.936 120.300 0.035 0.000 2.539 283 Y HA 0.180 4.733 4.550 0.006 0.000 0.352 283 Y C -0.935 174.957 175.900 -0.013 0.000 1.004 283 Y CA -0.772 57.339 58.100 0.018 0.000 1.278 283 Y CB 0.364 38.851 38.460 0.045 0.000 1.136 283 Y HN 0.730 nan 8.280 nan 0.000 0.528 284 D N 8.997 129.166 120.400 -0.384 0.000 2.513 284 D HA 0.264 4.908 4.640 0.006 0.000 0.295 284 D C -2.904 173.082 176.300 -0.524 0.000 1.202 284 D CA -2.184 51.587 54.000 -0.382 0.000 0.849 284 D CB 0.674 41.356 40.800 -0.197 0.000 1.116 284 D HN 0.246 nan 8.370 nan 0.000 0.502 285 P HA 0.334 nan 4.420 nan 0.000 0.266 285 P C 0.445 177.517 177.300 -0.380 0.000 1.193 285 P CA 0.395 63.121 63.100 -0.623 0.000 0.770 285 P CB 1.497 32.800 31.700 -0.662 0.000 0.836 286 G N 1.743 110.336 108.800 -0.345 0.000 2.399 286 G HA2 0.092 4.056 3.960 0.006 0.000 0.256 286 G HA3 0.092 4.056 3.960 0.006 0.000 0.256 286 G C -1.629 173.095 174.900 -0.294 0.000 1.236 286 G CA -0.655 44.288 45.100 -0.261 0.000 0.914 286 G HN 0.475 nan 8.290 nan 0.000 0.482 287 Q N -0.555 119.121 119.800 -0.206 0.000 2.259 287 Q HA 0.462 4.806 4.340 0.006 0.000 0.249 287 Q C 0.276 176.205 176.000 -0.118 0.000 0.914 287 Q CA -0.537 55.166 55.803 -0.168 0.000 0.904 287 Q CB 1.758 30.453 28.738 -0.070 0.000 1.213 287 Q HN 0.566 nan 8.270 nan 0.000 0.428 288 Y N 1.085 121.384 120.300 -0.001 0.000 2.242 288 Y HA -0.056 4.498 4.550 0.006 0.000 0.291 288 Y C 0.537 176.486 175.900 0.080 0.000 1.137 288 Y CA 0.497 58.633 58.100 0.059 0.000 1.181 288 Y CB 0.563 39.062 38.460 0.065 0.000 0.989 288 Y HN 0.366 nan 8.280 nan 0.000 0.527 289 L N 0.102 121.442 121.223 0.195 0.000 2.472 289 L HA 0.329 4.673 4.340 0.006 0.000 0.260 289 L C -0.863 176.044 176.870 0.062 0.000 0.963 289 L CA -1.237 53.676 54.840 0.121 0.000 0.829 289 L CB 1.978 44.107 42.059 0.117 0.000 1.348 289 L HN -0.256 nan 8.230 nan 0.000 0.408 290 K N 1.803 122.225 120.400 0.036 0.000 2.202 290 K HA 0.378 4.701 4.320 0.006 0.000 0.264 290 K C -2.377 174.235 176.600 0.020 0.000 1.010 290 K CA -1.714 54.581 56.287 0.014 0.000 0.940 290 K CB 0.654 33.154 32.500 0.000 0.000 0.983 290 K HN 0.194 nan 8.250 nan 0.000 0.475 291 P HA -0.020 nan 4.420 nan 0.000 0.265 291 P C 0.637 177.944 177.300 0.011 0.000 1.187 291 P CA 0.873 63.980 63.100 0.011 0.000 0.766 291 P CB 0.416 32.118 31.700 0.004 0.000 0.820 292 G N 1.236 110.045 108.800 0.014 0.000 2.232 292 G HA2 -0.183 3.780 3.960 0.006 0.000 0.226 292 G HA3 -0.183 3.780 3.960 0.006 0.000 0.226 292 G C 0.201 175.115 174.900 0.025 0.000 0.996 292 G CA -0.046 45.062 45.100 0.013 0.000 0.626 292 G HN 0.616 nan 8.290 nan 0.000 0.509 293 T N 1.508 116.083 114.554 0.034 0.000 2.767 293 T HA 0.615 4.969 4.350 0.006 0.000 0.284 293 T C 0.039 174.766 174.700 0.045 0.000 0.973 293 T CA -0.335 61.796 62.100 0.051 0.000 0.996 293 T CB 1.878 70.784 68.868 0.064 0.000 0.927 293 T HN 0.530 nan 8.240 nan 0.000 0.456 294 R N 3.607 124.132 120.500 0.043 0.000 2.562 294 R HA 0.692 5.035 4.340 0.006 0.000 0.298 294 R C -1.474 174.843 176.300 0.028 0.000 0.961 294 R CA -0.769 55.348 56.100 0.029 0.000 0.881 294 R CB 1.103 31.417 30.300 0.023 0.000 1.159 294 R HN 0.590 nan 8.270 nan 0.000 0.450 295 L N 5.549 126.778 121.223 0.011 0.000 2.346 295 L HA 0.595 4.939 4.340 0.006 0.000 0.276 295 L C -1.313 175.542 176.870 -0.024 0.000 1.006 295 L CA -0.763 54.076 54.840 -0.002 0.000 0.817 295 L CB 1.633 43.683 42.059 -0.016 0.000 1.272 295 L HN 0.664 nan 8.230 nan 0.000 0.421 296 I N 3.695 124.252 120.570 -0.022 0.000 2.447 296 I HA 0.320 4.494 4.170 0.006 0.000 0.287 296 I C -0.551 175.543 176.117 -0.040 0.000 1.023 296 I CA -0.332 60.950 61.300 -0.029 0.000 1.083 296 I CB 2.069 40.061 38.000 -0.014 0.000 1.245 296 I HN 0.516 nan 8.210 nan 0.000 0.434 297 S N 5.699 121.364 115.700 -0.059 0.000 2.454 297 S HA 0.634 5.108 4.470 0.006 0.000 0.306 297 S C -0.787 173.785 174.600 -0.047 0.000 1.100 297 S CA -0.475 57.685 58.200 -0.066 0.000 1.087 297 S CB 1.319 64.450 63.200 -0.114 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.935 124.830 119.914 -0.033 0.000 2.313 298 V HA 0.534 4.658 4.120 0.006 0.000 0.278 298 V C 0.420 176.499 176.094 -0.025 0.000 1.017 298 V CA -0.458 61.827 62.300 -0.025 0.000 0.823 298 V CB 0.928 32.743 31.823 -0.013 0.000 1.010 298 V HN 0.934 nan 8.190 nan 0.000 0.443 299 T N 3.214 117.747 114.554 -0.035 0.000 2.916 299 T HA 0.289 4.643 4.350 0.006 0.000 0.292 299 T C 0.848 175.516 174.700 -0.054 0.000 1.055 299 T CA -0.109 61.969 62.100 -0.036 0.000 1.009 299 T CB 1.462 70.308 68.868 -0.037 0.000 1.118 299 T HN 0.815 nan 8.240 nan 0.000 0.497 300 C N 1.382 120.633 119.300 -0.082 0.000 2.791 300 C HA 0.495 4.959 4.460 0.006 0.000 0.270 300 C C 0.366 175.254 174.990 -0.170 0.000 1.257 300 C CA -0.554 58.386 59.018 -0.131 0.000 1.699 300 C CB -1.206 26.425 27.740 -0.181 0.000 1.904 300 C HN 0.737 nan 8.230 nan 0.000 0.603 301 D N 1.180 121.504 120.400 -0.127 0.000 2.471 301 D HA 0.360 5.003 4.640 0.006 0.000 0.245 301 D C -1.947 174.328 176.300 -0.041 0.000 1.116 301 D CA -1.750 52.191 54.000 -0.098 0.000 0.853 301 D CB 2.176 42.958 40.800 -0.029 0.000 1.123 301 D HN -0.093 nan 8.370 nan 0.000 0.540 302 P HA -0.083 nan 4.420 nan 0.000 0.216 302 P C 1.759 179.061 177.300 0.003 0.000 1.150 302 P CA 0.816 63.908 63.100 -0.014 0.000 0.843 302 P CB 0.392 32.088 31.700 -0.006 0.000 0.787 303 L N -0.792 120.447 121.223 0.027 0.000 2.131 303 L HA -0.194 4.150 4.340 0.006 0.000 0.210 303 L C 2.351 179.240 176.870 0.033 0.000 1.092 303 L CA 1.533 56.405 54.840 0.054 0.000 0.759 303 L CB -0.714 41.413 42.059 0.114 0.000 0.903 303 L HN 0.077 nan 8.230 nan 0.000 0.435 304 E N -0.061 120.149 120.200 0.017 0.000 2.046 304 E HA -0.158 4.196 4.350 0.006 0.000 0.190 304 E C 2.326 178.900 176.600 -0.044 0.000 0.982 304 E CA 1.012 57.406 56.400 -0.009 0.000 0.800 304 E CB -0.094 29.606 29.700 -0.000 0.000 0.756 304 E HN 0.460 nan 8.360 nan 0.000 0.449 305 A N 1.249 124.044 122.820 -0.042 0.000 1.972 305 A HA -0.130 4.193 4.320 0.006 0.000 0.219 305 A C 2.303 179.855 177.584 -0.052 0.000 1.169 305 A CA 1.683 53.687 52.037 -0.056 0.000 0.635 305 A CB -0.535 18.438 19.000 -0.045 0.000 0.810 305 A HN 0.306 nan 8.150 nan 0.000 0.446 306 A N 0.791 123.593 122.820 -0.031 0.000 1.873 306 A HA -0.133 4.190 4.320 0.006 0.000 0.215 306 A C 2.173 179.737 177.584 -0.033 0.000 1.186 306 A CA 1.526 53.549 52.037 -0.024 0.000 0.616 306 A CB -0.441 18.558 19.000 -0.002 0.000 0.823 306 A HN 0.697 nan 8.150 nan 0.000 0.442 307 R N -0.324 120.157 120.500 -0.031 0.000 2.299 307 R HA 0.412 4.756 4.340 0.006 0.000 0.197 307 R C 0.759 177.006 176.300 -0.087 0.000 0.971 307 R CA 0.568 56.645 56.100 -0.037 0.000 1.030 307 R CB -0.554 29.742 30.300 -0.006 0.000 0.932 307 R HN 0.274 nan 8.270 nan 0.000 0.477 308 A N 3.626 126.372 122.820 -0.124 0.000 2.545 308 A HA 0.127 4.450 4.320 0.006 0.000 0.253 308 A C -1.412 176.037 177.584 -0.225 0.000 1.074 308 A CA -1.126 50.787 52.037 -0.205 0.000 0.760 308 A CB 0.144 19.013 19.000 -0.218 0.000 1.005 308 A HN 0.302 nan 8.150 nan 0.000 0.506 309 P HA 0.027 nan 4.420 nan 0.000 0.245 309 P C -0.147 176.933 177.300 -0.366 0.000 1.212 309 P CA 0.770 63.619 63.100 -0.419 0.000 0.774 309 P CB -0.125 31.065 31.700 -0.850 0.000 0.999 310 M N -3.022 116.400 119.600 -0.296 0.000 2.833 310 M HA 0.578 5.062 4.480 0.006 0.000 0.270 310 M C -0.438 175.773 176.300 -0.148 0.000 1.209 310 M CA -0.057 55.139 55.300 -0.174 0.000 0.826 310 M CB 1.063 33.589 32.600 -0.123 0.000 1.657 310 M HN 0.033 nan 8.290 nan 0.000 0.492 311 G N 1.567 110.315 108.800 -0.087 0.000 2.829 311 G HA2 -0.066 3.897 3.960 0.006 0.000 0.628 311 G HA3 -0.066 3.897 3.960 0.006 0.000 0.628 311 G C -1.335 173.522 174.900 -0.071 0.000 1.412 311 G CA -0.092 44.964 45.100 -0.074 0.000 0.864 311 G HN 1.020 nan 8.290 nan 0.000 0.544 312 D N 0.053 120.420 120.400 -0.055 0.000 2.388 312 D HA 0.747 5.391 4.640 0.006 0.000 0.254 312 D C 0.668 176.933 176.300 -0.058 0.000 1.111 312 D CA 0.871 54.842 54.000 -0.048 0.000 0.993 312 D CB 1.651 42.432 40.800 -0.032 0.000 1.118 312 D HN 1.264 nan 8.370 nan 0.000 0.502 313 A N 0.425 123.214 122.820 -0.050 0.000 2.572 313 A HA 0.715 5.039 4.320 0.006 0.000 0.295 313 A C -1.224 176.337 177.584 -0.039 0.000 1.072 313 A CA -0.623 51.383 52.037 -0.052 0.000 0.691 313 A CB 1.264 20.226 19.000 -0.063 0.000 1.291 313 A HN 0.459 nan 8.150 nan 0.000 0.404 314 I N 1.519 122.067 120.570 -0.036 0.000 2.468 314 I HA 0.341 4.514 4.170 0.006 0.000 0.285 314 I C -0.956 175.141 176.117 -0.032 0.000 1.039 314 I CA -0.860 60.423 61.300 -0.029 0.000 1.074 314 I CB 2.135 40.121 38.000 -0.023 0.000 1.228 314 I HN 0.308 nan 8.210 nan 0.000 0.436 315 V N 5.902 125.797 119.914 -0.032 0.000 2.334 315 V HA 0.821 4.945 4.120 0.006 0.000 0.267 315 V C 0.367 176.439 176.094 -0.036 0.000 1.040 315 V CA -0.034 62.244 62.300 -0.037 0.000 0.866 315 V CB 0.566 32.367 31.823 -0.037 0.000 1.019 315 V HN 0.892 nan 8.190 nan 0.000 0.468 316 A N 3.705 126.501 122.820 -0.039 0.000 2.493 316 A HA 0.633 4.957 4.320 0.006 0.000 0.300 316 A C -1.165 176.395 177.584 -0.039 0.000 1.152 316 A CA -0.758 51.259 52.037 -0.034 0.000 0.643 316 A CB 0.990 19.976 19.000 -0.024 0.000 1.316 316 A HN 0.666 nan 8.150 nan 0.000 0.469 317 D N 0.213 120.594 120.400 -0.031 0.000 2.383 317 D HA 0.295 4.939 4.640 0.006 0.000 0.252 317 D C 1.132 177.420 176.300 -0.019 0.000 1.166 317 D CA -0.315 53.668 54.000 -0.029 0.000 0.879 317 D CB 0.340 41.130 40.800 -0.017 0.000 1.164 317 D HN 0.281 nan 8.370 nan 0.000 0.462 318 I N 3.763 124.321 120.570 -0.020 0.000 2.286 318 I HA -0.083 4.090 4.170 0.006 0.000 0.248 318 I C 2.237 178.358 176.117 0.007 0.000 1.115 318 I CA 1.128 62.426 61.300 -0.004 0.000 1.392 318 I CB -1.572 36.430 38.000 0.003 0.000 1.065 318 I HN 0.658 nan 8.210 nan 0.000 0.418 319 G N 0.741 109.545 108.800 0.006 0.000 2.433 319 G HA2 -0.181 3.783 3.960 0.006 0.000 0.216 319 G HA3 -0.181 3.783 3.960 0.006 0.000 0.216 319 G C 1.885 176.791 174.900 0.010 0.000 1.186 319 G CA 1.067 46.174 45.100 0.012 0.000 0.779 319 G HN 0.475 nan 8.290 nan 0.000 0.543 320 A N 0.418 123.241 122.820 0.005 0.000 1.883 320 A HA -0.027 4.297 4.320 0.006 0.000 0.217 320 A C 2.464 180.050 177.584 0.004 0.000 1.186 320 A CA 2.155 54.195 52.037 0.004 0.000 0.624 320 A CB -0.361 18.640 19.000 0.001 0.000 0.822 320 A HN 0.304 nan 8.150 nan 0.000 0.444 321 M N -0.553 119.049 119.600 0.002 0.000 2.099 321 M HA -0.082 4.402 4.480 0.006 0.000 0.262 321 M C 2.574 178.880 176.300 0.009 0.000 1.067 321 M CA 1.577 56.879 55.300 0.003 0.000 1.124 321 M CB -1.584 31.015 32.600 -0.001 0.000 1.353 321 M HN 0.487 nan 8.290 nan 0.000 0.410 322 A N -0.332 122.496 122.820 0.014 0.000 1.883 322 A HA -0.193 4.130 4.320 0.006 0.000 0.217 322 A C 2.504 180.101 177.584 0.021 0.000 1.186 322 A CA 2.522 54.572 52.037 0.022 0.000 0.624 322 A CB -1.068 17.950 19.000 0.029 0.000 0.822 322 A HN 0.513 nan 8.150 nan 0.000 0.444 323 S N -0.445 115.265 115.700 0.017 0.000 2.348 323 S HA -0.069 4.405 4.470 0.006 0.000 0.221 323 S C 2.240 176.848 174.600 0.013 0.000 1.033 323 S CA 1.827 60.035 58.200 0.014 0.000 1.010 323 S CB -0.633 62.573 63.200 0.011 0.000 0.891 323 S HN 0.926 nan 8.310 nan 0.000 0.442 324 A N 1.626 124.452 122.820 0.010 0.000 1.892 324 A HA -0.042 4.282 4.320 0.006 0.000 0.218 324 A C 2.318 179.908 177.584 0.010 0.000 1.188 324 A CA 1.807 53.848 52.037 0.008 0.000 0.631 324 A CB -1.048 17.955 19.000 0.005 0.000 0.822 324 A HN 0.597 nan 8.150 nan 0.000 0.447 325 L N -0.927 120.303 121.223 0.012 0.000 2.017 325 L HA -0.208 4.136 4.340 0.006 0.000 0.208 325 L C 3.103 179.984 176.870 0.018 0.000 1.073 325 L CA 1.109 55.957 54.840 0.014 0.000 0.745 325 L CB -0.592 41.475 42.059 0.014 0.000 0.894 325 L HN 0.453 nan 8.230 nan 0.000 0.432 326 A N 0.163 122.996 122.820 0.021 0.000 2.024 326 A HA -0.185 4.139 4.320 0.006 0.000 0.220 326 A C 1.804 179.401 177.584 0.021 0.000 1.164 326 A CA 1.817 53.869 52.037 0.025 0.000 0.643 326 A CB -0.448 18.569 19.000 0.028 0.000 0.806 326 A HN 0.514 nan 8.150 nan 0.000 0.451 327 N N -0.910 117.800 118.700 0.016 0.000 2.280 327 N HA 0.192 4.936 4.740 0.006 0.000 0.192 327 N C 1.101 176.618 175.510 0.012 0.000 1.109 327 N CA 0.400 53.458 53.050 0.014 0.000 0.855 327 N CB 0.369 38.863 38.487 0.011 0.000 0.974 327 N HN 0.485 nan 8.380 nan 0.000 0.482 328 L N 0.224 121.454 121.223 0.013 0.000 2.577 328 L HA 0.193 4.537 4.340 0.006 0.000 0.225 328 L C 0.640 177.518 176.870 0.013 0.000 1.053 328 L CA 0.024 54.870 54.840 0.011 0.000 0.866 328 L CB 0.094 42.158 42.059 0.009 0.000 1.132 328 L HN -0.102 nan 8.230 nan 0.000 0.486 329 V N -0.700 119.224 119.914 0.015 0.000 2.872 329 V HA 0.072 4.196 4.120 0.006 0.000 0.307 329 V C 0.177 176.281 176.094 0.018 0.000 1.072 329 V CA -0.723 61.587 62.300 0.017 0.000 1.148 329 V CB 0.248 32.083 31.823 0.020 0.000 0.954 329 V HN 0.196 nan 8.190 nan 0.000 0.490 330 E N 1.684 121.895 120.200 0.018 0.000 2.349 330 E HA 0.293 4.647 4.350 0.006 0.000 0.262 330 E C -0.351 176.262 176.600 0.021 0.000 1.088 330 E CA -0.525 55.885 56.400 0.018 0.000 0.899 330 E CB 0.861 30.570 29.700 0.016 0.000 1.044 330 E HN 0.910 nan 8.360 nan 0.000 0.420 331 E N 1.478 121.690 120.200 0.021 0.000 2.104 331 E HA 0.030 4.384 4.350 0.006 0.000 0.278 331 E C -0.666 175.948 176.600 0.023 0.000 1.127 331 E CA -0.087 56.327 56.400 0.024 0.000 0.897 331 E CB 0.576 30.289 29.700 0.022 0.000 1.043 331 E HN 0.326 nan 8.360 nan 0.000 0.410 332 S N 3.072 118.788 115.700 0.027 0.000 2.572 332 S HA 0.025 4.499 4.470 0.006 0.000 0.279 332 S C 1.044 175.659 174.600 0.024 0.000 1.341 332 S CA 0.140 58.356 58.200 0.026 0.000 1.043 332 S CB 0.551 63.769 63.200 0.030 0.000 0.887 332 S HN 0.658 nan 8.310 nan 0.000 0.516 333 S N 3.998 119.710 115.700 0.020 0.000 2.562 333 S HA 0.170 4.643 4.470 0.006 0.000 0.221 333 S C 0.732 175.343 174.600 0.019 0.000 0.975 333 S CA -0.281 57.929 58.200 0.018 0.000 0.918 333 S CB -0.153 63.055 63.200 0.014 0.000 0.772 333 S HN 0.711 nan 8.310 nan 0.000 0.531 334 R N 1.594 122.108 120.500 0.022 0.000 2.827 334 R HA 0.155 4.499 4.340 0.006 0.000 0.269 334 R C 0.081 176.396 176.300 0.024 0.000 1.048 334 R CA -0.053 56.061 56.100 0.023 0.000 1.173 334 R CB 0.190 30.508 30.300 0.029 0.000 1.070 334 R HN 0.357 nan 8.270 nan 0.000 0.498 335 Q N 1.649 121.462 119.800 0.022 0.000 2.332 335 Q HA 0.049 4.393 4.340 0.006 0.000 0.263 335 Q C -0.210 175.806 176.000 0.028 0.000 0.979 335 Q CA -0.297 55.518 55.803 0.021 0.000 0.885 335 Q CB 0.777 29.524 28.738 0.015 0.000 1.218 335 Q HN 0.287 nan 8.270 nan 0.000 0.405 336 L N 5.098 126.339 121.223 0.030 0.000 2.490 336 L HA 0.149 4.492 4.340 0.006 0.000 0.274 336 L C -2.104 174.787 176.870 0.036 0.000 1.201 336 L CA -0.789 54.076 54.840 0.042 0.000 0.869 336 L CB 0.032 42.115 42.059 0.040 0.000 1.123 336 L HN 0.430 nan 8.230 nan 0.000 0.484 337 P HA 0.057 nan 4.420 nan 0.000 0.266 337 P C -0.985 176.326 177.300 0.019 0.000 1.193 337 P CA 0.024 63.141 63.100 0.029 0.000 0.770 337 P CB 0.279 31.994 31.700 0.025 0.000 0.836 338 T N 1.795 116.351 114.554 0.004 0.000 2.856 338 T HA 0.436 4.790 4.350 0.006 0.000 0.292 338 T C 0.333 175.030 174.700 -0.006 0.000 0.980 338 T CA -0.331 61.767 62.100 -0.003 0.000 1.091 338 T CB 0.563 69.427 68.868 -0.006 0.000 0.936 338 T HN 0.463 nan 8.240 nan 0.000 0.503 339 A N 2.684 125.502 122.820 -0.004 0.000 2.531 339 A HA 0.532 4.856 4.320 0.006 0.000 0.236 339 A C 0.868 178.451 177.584 -0.002 0.000 1.062 339 A CA -0.425 51.617 52.037 0.008 0.000 0.760 339 A CB -0.245 18.757 19.000 0.003 0.000 0.995 339 A HN 1.082 nan 8.150 nan 0.000 0.501 340 A N 3.769 126.588 122.820 -0.002 0.000 2.445 340 A HA 0.546 4.869 4.320 0.006 0.000 0.242 340 A C -1.408 176.176 177.584 -0.001 0.000 1.075 340 A CA -0.882 51.144 52.037 -0.019 0.000 0.777 340 A CB -0.519 18.457 19.000 -0.041 0.000 1.013 340 A HN 0.804 nan 8.150 nan 0.000 0.493 341 P HA 0.164 nan 4.420 nan 0.000 0.274 341 P C -0.486 176.818 177.300 0.006 0.000 1.231 341 P CA -0.361 62.739 63.100 0.000 0.000 0.790 341 P CB 0.563 32.262 31.700 -0.003 0.000 0.951 342 E N 2.394 122.599 120.200 0.008 0.000 2.413 342 E HA 0.093 4.447 4.350 0.006 0.000 0.263 342 E C -1.529 175.077 176.600 0.010 0.000 1.015 342 E CA -0.910 55.498 56.400 0.012 0.000 0.916 342 E CB -0.309 29.398 29.700 0.010 0.000 0.947 342 E HN 0.446 nan 8.360 nan 0.000 0.440 343 P HA 0.081 nan 4.420 nan 0.000 0.269 343 P C -0.700 176.606 177.300 0.010 0.000 1.215 343 P CA -0.276 62.830 63.100 0.011 0.000 0.780 343 P CB 0.590 32.299 31.700 0.015 0.000 0.898 344 A N 2.674 125.497 122.820 0.006 0.000 2.425 344 A HA 0.138 4.462 4.320 0.006 0.000 0.242 344 A C 0.583 178.169 177.584 0.003 0.000 1.077 344 A CA -0.178 51.860 52.037 0.002 0.000 0.781 344 A CB -0.066 18.932 19.000 -0.003 0.000 1.020 344 A HN 0.522 nan 8.150 nan 0.000 0.494 345 K N 2.715 123.116 120.400 0.002 0.000 2.285 345 K HA 0.357 4.681 4.320 0.006 0.000 0.286 345 K C -0.634 175.958 176.600 -0.014 0.000 1.072 345 K CA -0.114 56.175 56.287 0.003 0.000 0.913 345 K CB 0.417 32.922 32.500 0.008 0.000 1.067 345 K HN 0.438 nan 8.250 nan 0.000 0.479 346 V N 3.725 123.622 119.914 -0.028 0.000 2.811 346 V HA -0.019 4.105 4.120 0.006 0.000 0.302 346 V C 0.485 176.533 176.094 -0.077 0.000 1.063 346 V CA -0.351 61.900 62.300 -0.082 0.000 1.088 346 V CB 0.808 32.542 31.823 -0.149 0.000 0.982 346 V HN 0.714 nan 8.190 nan 0.000 0.485 347 D N 2.843 123.183 120.400 -0.101 0.000 2.455 347 D HA 0.262 4.905 4.640 0.006 0.000 0.241 347 D C -0.061 176.243 176.300 0.007 0.000 1.138 347 D CA 0.361 54.337 54.000 -0.041 0.000 0.877 347 D CB 0.990 41.773 40.800 -0.028 0.000 1.187 347 D HN 0.531 nan 8.370 nan 0.000 0.451 348 Q N 2.180 122.026 119.800 0.077 0.000 2.295 348 Q HA 0.210 4.553 4.340 0.006 0.000 0.259 348 Q C -1.363 174.695 176.000 0.096 0.000 0.966 348 Q CA -0.758 55.139 55.803 0.155 0.000 0.763 348 Q CB 1.004 29.822 28.738 0.133 0.000 1.283 348 Q HN 0.380 nan 8.270 nan 0.000 0.445 349 D N 1.868 122.326 120.400 0.096 0.000 2.425 349 D HA 0.356 5.000 4.640 0.006 0.000 0.274 349 D C 0.300 176.621 176.300 0.035 0.000 1.242 349 D CA -0.030 54.002 54.000 0.054 0.000 1.060 349 D CB 0.405 41.234 40.800 0.048 0.000 1.112 349 D HN 0.436 nan 8.370 nan 0.000 0.561 350 A N -1.107 121.727 122.820 0.023 0.000 2.302 350 A HA 0.463 4.787 4.320 0.006 0.000 0.219 350 A C 0.991 178.578 177.584 0.005 0.000 1.243 350 A CA 0.397 52.443 52.037 0.014 0.000 0.856 350 A CB -1.136 17.871 19.000 0.013 0.000 0.893 350 A HN 0.536 nan 8.150 nan 0.000 0.491 351 G N -0.637 108.162 108.800 -0.002 0.000 2.849 351 G HA2 0.432 4.396 3.960 0.006 0.000 0.174 351 G HA3 0.432 4.396 3.960 0.006 0.000 0.174 351 G C -0.031 174.845 174.900 -0.039 0.000 1.370 351 G CA -1.042 44.048 45.100 -0.017 0.000 1.040 351 G HN 0.430 nan 8.290 nan 0.000 0.582 352 R N -0.743 119.721 120.500 -0.060 0.000 2.697 352 R HA 0.140 4.483 4.340 0.006 0.000 0.265 352 R C -0.614 175.601 176.300 -0.141 0.000 1.009 352 R CA -0.075 55.974 56.100 -0.085 0.000 1.099 352 R CB 0.071 30.317 30.300 -0.090 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.592 123.742 121.223 -0.121 0.000 2.375 353 L HA 0.204 4.548 4.340 0.006 0.000 0.271 353 L C 0.665 177.427 176.870 -0.179 0.000 1.107 353 L CA -0.097 54.670 54.840 -0.123 0.000 0.806 353 L CB 0.519 42.537 42.059 -0.068 0.000 1.146 353 L HN 0.367 nan 8.230 nan 0.000 0.447 354 H N 2.067 121.120 119.070 -0.028 0.000 2.525 354 H HA 0.159 4.719 4.556 0.006 0.000 0.339 354 H C -1.642 173.651 175.328 -0.057 0.000 1.109 354 H CA -1.620 54.414 56.048 -0.022 0.000 1.352 354 H CB 1.443 31.204 29.762 -0.002 0.000 1.461 354 H HN 0.375 nan 8.280 nan 0.000 0.533 355 P HA -0.181 nan 4.420 nan 0.000 0.216 355 P C 1.060 178.329 177.300 -0.053 0.000 1.153 355 P CA 1.397 64.451 63.100 -0.078 0.000 0.858 355 P CB 0.473 32.223 31.700 0.083 0.000 0.789 356 E N -1.055 119.232 120.200 0.145 0.000 2.070 356 E HA -0.175 4.179 4.350 0.006 0.000 0.197 356 E C 2.021 178.686 176.600 0.109 0.000 1.004 356 E CA 1.926 58.437 56.400 0.186 0.000 0.805 356 E CB -1.577 28.186 29.700 0.106 0.000 0.744 356 E HN 0.234 nan 8.360 nan 0.000 0.451 357 T N 0.321 114.916 114.554 0.068 0.000 2.720 357 T HA -0.154 4.200 4.350 0.006 0.000 0.268 357 T C 2.002 176.692 174.700 -0.017 0.000 1.037 357 T CA 1.409 63.533 62.100 0.041 0.000 1.144 357 T CB -0.391 68.514 68.868 0.061 0.000 0.864 357 T HN -0.026 nan 8.240 nan 0.000 0.444 358 V N 0.753 120.591 119.914 -0.126 0.000 2.295 358 V HA -0.153 3.971 4.120 0.006 0.000 0.246 358 V C 2.093 178.077 176.094 -0.184 0.000 1.049 358 V CA 1.757 63.923 62.300 -0.224 0.000 1.024 358 V CB -0.861 30.705 31.823 -0.428 0.000 0.648 358 V HN 0.485 nan 8.190 nan 0.000 0.447 359 F N 0.259 120.215 119.950 0.009 0.000 2.134 359 F HA -0.163 4.368 4.527 0.006 0.000 0.299 359 F C 2.403 178.192 175.800 -0.020 0.000 1.097 359 F CA 1.410 59.394 58.000 -0.025 0.000 1.264 359 F CB -0.437 38.534 39.000 -0.049 0.000 1.001 359 F HN 0.181 nan 8.300 nan 0.000 0.479 360 D N -0.169 120.328 120.400 0.161 0.000 2.117 360 D HA -0.138 4.505 4.640 0.006 0.000 0.197 360 D C 2.258 178.602 176.300 0.072 0.000 0.987 360 D CA 1.804 55.861 54.000 0.095 0.000 0.829 360 D CB -0.795 40.048 40.800 0.070 0.000 0.961 360 D HN 0.162 nan 8.370 nan 0.000 0.460 361 T N 1.042 115.630 114.554 0.056 0.000 2.708 361 T HA -0.072 4.281 4.350 0.006 0.000 0.266 361 T C 2.236 176.976 174.700 0.067 0.000 1.037 361 T CA 0.499 62.626 62.100 0.045 0.000 1.146 361 T CB -0.346 68.536 68.868 0.023 0.000 0.865 361 T HN 0.106 nan 8.240 nan 0.000 0.435 362 L N 1.247 122.524 121.223 0.091 0.000 2.042 362 L HA -0.159 4.185 4.340 0.006 0.000 0.210 362 L C 2.713 179.682 176.870 0.165 0.000 1.076 362 L CA 1.315 56.245 54.840 0.150 0.000 0.749 362 L CB -0.591 41.605 42.059 0.229 0.000 0.893 362 L HN 0.403 nan 8.230 nan 0.000 0.432 363 N N -0.317 118.460 118.700 0.127 0.000 2.149 363 N HA -0.212 4.531 4.740 0.006 0.000 0.188 363 N C 1.263 176.821 175.510 0.080 0.000 1.019 363 N CA 1.487 54.597 53.050 0.099 0.000 0.857 363 N CB 0.113 38.632 38.487 0.053 0.000 0.997 363 N HN 0.335 nan 8.380 nan 0.000 0.426 364 D N 0.281 120.721 120.400 0.065 0.000 2.149 364 D HA -0.074 4.569 4.640 0.006 0.000 0.201 364 D C 1.829 178.156 176.300 0.045 0.000 0.972 364 D CA 1.019 55.047 54.000 0.047 0.000 0.835 364 D CB -0.020 40.802 40.800 0.038 0.000 0.966 364 D HN 0.438 nan 8.370 nan 0.000 0.476 365 M N 0.289 119.921 119.600 0.054 0.000 2.486 365 M HA 0.172 4.656 4.480 0.006 0.000 0.264 365 M C 0.955 177.280 176.300 0.041 0.000 1.125 365 M CA -0.004 55.321 55.300 0.042 0.000 1.144 365 M CB 0.416 33.038 32.600 0.037 0.000 1.353 365 M HN -0.193 nan 8.290 nan 0.000 0.466 366 A N 2.633 125.494 122.820 0.067 0.000 2.425 366 A HA 0.374 4.698 4.320 0.006 0.000 0.249 366 A C -2.060 175.537 177.584 0.022 0.000 1.084 366 A CA -1.191 50.872 52.037 0.044 0.000 0.781 366 A CB -0.675 18.382 19.000 0.094 0.000 1.019 366 A HN 0.128 nan 8.150 nan 0.000 0.490 367 P HA 0.050 nan 4.420 nan 0.000 0.269 367 P C 0.180 177.473 177.300 -0.012 0.000 1.215 367 P CA -0.028 63.061 63.100 -0.019 0.000 0.780 367 P CB 0.522 32.199 31.700 -0.038 0.000 0.898 368 E N 1.295 121.491 120.200 -0.006 0.000 2.265 368 E HA -0.152 4.201 4.350 0.006 0.000 0.196 368 E C 0.820 177.413 176.600 -0.011 0.000 0.996 368 E CA 0.928 57.328 56.400 0.000 0.000 0.832 368 E CB -0.271 29.425 29.700 -0.006 0.000 0.756 368 E HN 0.535 nan 8.360 nan 0.000 0.491 369 N N 0.605 119.287 118.700 -0.030 0.000 2.321 369 N HA 0.141 4.885 4.740 0.006 0.000 0.242 369 N C -0.188 175.280 175.510 -0.070 0.000 1.141 369 N CA -0.124 52.903 53.050 -0.039 0.000 0.864 369 N CB 0.227 38.694 38.487 -0.034 0.000 1.100 369 N HN -0.060 nan 8.380 nan 0.000 0.510 370 A N 0.780 123.534 122.820 -0.110 0.000 2.406 370 A HA 0.481 4.805 4.320 0.006 0.000 0.243 370 A C 0.085 177.504 177.584 -0.276 0.000 1.082 370 A CA -0.163 51.730 52.037 -0.241 0.000 0.786 370 A CB 0.161 18.929 19.000 -0.388 0.000 1.029 370 A HN 0.397 nan 8.150 nan 0.000 0.495 371 I N 1.046 121.428 120.570 -0.314 0.000 2.418 371 I HA 0.320 4.493 4.170 0.006 0.000 0.287 371 I C -1.224 174.746 176.117 -0.245 0.000 1.008 371 I CA -0.237 60.965 61.300 -0.164 0.000 1.104 371 I CB 1.243 39.237 38.000 -0.011 0.000 1.264 371 I HN 0.615 nan 8.210 nan 0.000 0.438 372 Y N 6.076 126.396 120.300 0.033 0.000 2.419 372 Y HA 0.655 5.209 4.550 0.006 0.000 0.328 372 Y C -0.358 175.547 175.900 0.009 0.000 1.162 372 Y CA -0.803 57.315 58.100 0.030 0.000 1.174 372 Y CB 1.465 39.955 38.460 0.050 0.000 1.228 372 Y HN 0.331 nan 8.280 nan 0.000 0.473 373 L N 2.488 123.811 121.223 0.167 0.000 2.386 373 L HA 0.399 4.743 4.340 0.006 0.000 0.271 373 L C -0.655 176.277 176.870 0.104 0.000 0.993 373 L CA -0.511 54.374 54.840 0.076 0.000 0.819 373 L CB 1.993 44.086 42.059 0.056 0.000 1.294 373 L HN 0.670 nan 8.230 nan 0.000 0.414 374 N N 1.929 120.675 118.700 0.076 0.000 2.399 374 N HA 0.332 5.076 4.740 0.006 0.000 0.280 374 N C -0.845 174.875 175.510 0.349 0.000 1.008 374 N CA -0.227 52.973 53.050 0.250 0.000 0.894 374 N CB 1.276 39.959 38.487 0.328 0.000 1.273 374 N HN 0.760 nan 8.380 nan 0.000 0.486 375 E N 2.466 122.837 120.200 0.286 0.000 3.843 375 E HA 0.050 4.404 4.350 0.006 0.000 0.189 375 E C -1.353 175.391 176.600 0.241 0.000 1.013 375 E CA -0.101 56.444 56.400 0.242 0.000 1.395 375 E CB 0.477 30.270 29.700 0.156 0.000 1.136 375 E HN 0.356 nan 8.360 nan 0.000 0.444 376 S N 0.439 116.311 115.700 0.288 0.000 2.217 376 S HA 0.056 4.529 4.470 0.006 0.000 0.168 376 S C 1.415 176.179 174.600 0.273 0.000 1.526 376 S CA 0.095 58.446 58.200 0.253 0.000 1.150 376 S CB 0.074 63.435 63.200 0.269 0.000 1.158 376 S HN 0.467 nan 8.310 nan 0.000 0.473 377 T N 0.280 114.997 114.554 0.271 0.000 2.792 377 T HA -0.201 4.152 4.350 0.006 0.000 0.268 377 T C 1.614 176.432 174.700 0.196 0.000 1.059 377 T CA 1.996 64.260 62.100 0.273 0.000 1.136 377 T CB -0.666 68.344 68.868 0.237 0.000 0.846 377 T HN 0.687 nan 8.240 nan 0.000 0.489 378 S N 0.573 116.367 115.700 0.158 0.000 2.556 378 S HA 0.173 4.647 4.470 0.006 0.000 0.216 378 S C 1.516 176.145 174.600 0.048 0.000 0.970 378 S CA 0.221 58.464 58.200 0.072 0.000 0.912 378 S CB -0.166 63.071 63.200 0.063 0.000 0.790 378 S HN 0.774 nan 8.310 nan 0.000 0.504 379 T N -3.187 111.448 114.554 0.134 0.000 3.091 379 T HA 0.206 4.559 4.350 0.006 0.000 0.277 379 T C 1.234 176.010 174.700 0.127 0.000 0.996 379 T CA 0.264 62.473 62.100 0.181 0.000 0.897 379 T CB -0.244 68.844 68.868 0.367 0.000 1.109 379 T HN 0.144 nan 8.240 nan 0.000 0.534 380 T N 2.386 116.998 114.554 0.097 0.000 2.665 380 T HA -0.089 4.265 4.350 0.006 0.000 0.268 380 T C 2.378 177.107 174.700 0.049 0.000 1.035 380 T CA 1.761 63.905 62.100 0.073 0.000 1.151 380 T CB -0.734 68.155 68.868 0.035 0.000 0.862 380 T HN 0.645 nan 8.240 nan 0.000 0.438 381 A N 1.445 124.269 122.820 0.007 0.000 1.865 381 A HA -0.202 4.121 4.320 0.006 0.000 0.217 381 A C 2.326 179.896 177.584 -0.023 0.000 1.191 381 A CA 1.836 53.869 52.037 -0.008 0.000 0.623 381 A CB -0.768 18.207 19.000 -0.041 0.000 0.826 381 A HN 0.479 nan 8.150 nan 0.000 0.444 382 Q N -0.949 118.825 119.800 -0.042 0.000 2.124 382 Q HA -0.105 4.238 4.340 0.006 0.000 0.202 382 Q C 2.111 177.939 176.000 -0.287 0.000 0.977 382 Q CA 1.681 57.453 55.803 -0.052 0.000 0.850 382 Q CB -0.482 28.315 28.738 0.098 0.000 0.901 382 Q HN 0.782 nan 8.270 nan 0.000 0.429 383 M N -1.152 118.057 119.600 -0.652 0.000 2.080 383 M HA -0.199 4.285 4.480 0.006 0.000 0.260 383 M C 1.158 177.079 176.300 -0.631 0.000 1.068 383 M CA 1.678 56.225 55.300 -1.255 0.000 1.109 383 M CB -0.161 31.707 32.600 -1.220 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.711 121.754 121.300 -0.428 0.000 2.421 384 W HA -0.162 4.501 4.660 0.006 0.000 0.270 384 W C 2.289 178.696 176.519 -0.186 0.000 1.233 384 W CA 1.237 58.393 57.345 -0.315 0.000 1.226 384 W CB -0.023 29.282 29.460 -0.258 0.000 1.121 384 W HN 0.401 nan 8.180 nan 0.000 0.579 385 Q N -0.940 118.876 119.800 0.026 0.000 2.297 385 Q HA 0.025 4.368 4.340 0.006 0.000 0.203 385 Q C 1.818 177.807 176.000 -0.018 0.000 0.931 385 Q CA 0.724 56.546 55.803 0.032 0.000 0.885 385 Q CB -0.006 28.740 28.738 0.015 0.000 0.991 385 Q HN 0.260 nan 8.270 nan 0.000 0.498 386 R N -0.252 120.191 120.500 -0.095 0.000 2.334 386 R HA 0.237 4.581 4.340 0.006 0.000 0.216 386 R C -0.105 176.134 176.300 -0.102 0.000 0.905 386 R CA 0.041 56.106 56.100 -0.060 0.000 1.064 386 R CB 0.565 30.879 30.300 0.022 0.000 1.046 386 R HN 0.056 nan 8.270 nan 0.000 0.508 387 L N 1.459 122.551 121.223 -0.218 0.000 2.305 387 L HA 0.280 4.624 4.340 0.006 0.000 0.284 387 L C -0.389 176.367 176.870 -0.190 0.000 1.013 387 L CA -0.543 54.132 54.840 -0.275 0.000 0.819 387 L CB 1.666 43.370 42.059 -0.593 0.000 1.227 387 L HN 0.121 nan 8.230 nan 0.000 0.417 388 N N 5.169 123.812 118.700 -0.095 0.000 2.439 388 N HA 0.307 5.050 4.740 0.006 0.000 0.243 388 N C -0.818 174.658 175.510 -0.058 0.000 1.088 388 N CA -0.505 52.505 53.050 -0.067 0.000 0.940 388 N CB 0.534 39.005 38.487 -0.027 0.000 1.180 388 N HN 0.572 nan 8.380 nan 0.000 0.505 389 M N 3.635 123.165 119.600 -0.116 0.000 2.080 389 M HA 0.239 4.723 4.480 0.006 0.000 0.350 389 M C 0.955 177.183 176.300 -0.119 0.000 1.143 389 M CA -0.420 54.827 55.300 -0.088 0.000 1.064 389 M CB 1.454 33.970 32.600 -0.140 0.000 1.429 389 M HN 0.443 nan 8.290 nan 0.000 0.418 390 R N 0.555 121.006 120.500 -0.082 0.000 2.127 390 R HA 0.121 4.465 4.340 0.006 0.000 0.217 390 R C 0.389 176.626 176.300 -0.106 0.000 1.074 390 R CA 0.669 56.709 56.100 -0.101 0.000 0.991 390 R CB 0.121 30.379 30.300 -0.069 0.000 0.895 390 R HN 0.629 nan 8.270 nan 0.000 0.450 391 N N 1.203 119.858 118.700 -0.075 0.000 2.485 391 N HA 0.301 5.045 4.740 0.006 0.000 0.280 391 N C -2.598 172.877 175.510 -0.058 0.000 1.205 391 N CA -1.633 51.379 53.050 -0.065 0.000 0.959 391 N CB 0.654 39.116 38.487 -0.042 0.000 1.206 391 N HN -0.221 nan 8.380 nan 0.000 0.545 392 P HA 0.138 nan 4.420 nan 0.000 0.274 392 P C 0.308 177.601 177.300 -0.012 0.000 1.256 392 P CA 0.148 63.233 63.100 -0.025 0.000 0.795 392 P CB 0.262 31.955 31.700 -0.011 0.000 1.038 393 G N 0.448 109.239 108.800 -0.014 0.000 2.395 393 G HA2 -0.254 3.709 3.960 0.006 0.000 0.300 393 G HA3 -0.254 3.709 3.960 0.006 0.000 0.300 393 G C 0.535 175.427 174.900 -0.013 0.000 0.998 393 G CA 0.553 45.654 45.100 0.003 0.000 1.046 393 G HN 0.423 nan 8.290 nan 0.000 0.513 394 S N -1.489 114.163 115.700 -0.079 0.000 2.559 394 S HA 0.372 4.846 4.470 0.006 0.000 0.226 394 S C -0.114 174.513 174.600 0.045 0.000 1.000 394 S CA 0.091 58.290 58.200 -0.002 0.000 0.948 394 S CB 0.599 63.808 63.200 0.015 0.000 0.870 394 S HN 0.755 nan 8.310 nan 0.000 0.497 395 Y N 0.707 120.803 120.300 -0.340 0.000 2.479 395 Y HA 0.566 5.119 4.550 0.006 0.000 0.338 395 Y C -2.176 173.424 175.900 -0.501 0.000 1.055 395 Y CA -1.297 56.629 58.100 -0.290 0.000 1.023 395 Y CB 1.045 39.295 38.460 -0.349 0.000 1.287 395 Y HN 0.066 nan 8.280 nan 0.000 0.447 396 Y N 6.429 126.444 120.300 -0.475 0.000 2.433 396 Y HA 0.567 5.120 4.550 0.006 0.000 0.337 396 Y C -1.517 174.259 175.900 -0.207 0.000 1.026 396 Y CA -1.078 56.929 58.100 -0.155 0.000 1.037 396 Y CB 2.163 40.697 38.460 0.123 0.000 1.245 396 Y HN 0.588 nan 8.280 nan 0.000 0.443 397 F N 3.053 122.997 119.950 -0.011 0.000 2.574 397 F HA 0.515 5.046 4.527 0.006 0.000 0.313 397 F C -0.291 175.463 175.800 -0.077 0.000 1.130 397 F CA -1.777 56.243 58.000 0.033 0.000 0.936 397 F CB 0.890 39.968 39.000 0.131 0.000 1.219 397 F HN 0.723 nan 8.300 nan 0.000 0.445 398 C N 4.679 123.473 119.300 -0.844 0.000 2.250 398 C HA 0.353 4.817 4.460 0.006 0.000 0.405 398 C C 1.719 176.314 174.990 -0.657 0.000 1.516 398 C CA -0.027 58.406 59.018 -0.974 0.000 1.412 398 C CB -1.550 25.776 27.740 -0.689 0.000 2.534 398 C HN 1.059 nan 8.230 nan 0.000 0.621 399 A N 3.263 125.799 122.820 -0.472 0.000 2.032 399 A HA 0.131 4.455 4.320 0.006 0.000 0.221 399 A C 2.250 179.762 177.584 -0.120 0.000 1.165 399 A CA 2.028 53.959 52.037 -0.176 0.000 0.645 399 A CB -0.421 18.474 19.000 -0.175 0.000 0.807 399 A HN 1.697 nan 8.150 nan 0.000 0.453 400 A N -2.568 120.142 122.820 -0.184 0.000 2.430 400 A HA 0.470 4.793 4.320 0.006 0.000 0.243 400 A C 1.632 179.132 177.584 -0.140 0.000 1.254 400 A CA 0.976 52.944 52.037 -0.114 0.000 0.914 400 A CB -0.559 18.390 19.000 -0.084 0.000 0.998 400 A HN 1.853 nan 8.150 nan 0.000 0.515 401 G N -1.032 107.641 108.800 -0.210 0.000 2.162 401 G HA2 -0.094 3.870 3.960 0.006 0.000 0.260 401 G HA3 -0.094 3.870 3.960 0.006 0.000 0.260 401 G C 0.688 175.456 174.900 -0.220 0.000 0.976 401 G CA 0.210 45.190 45.100 -0.200 0.000 0.655 401 G HN 1.465 nan 8.290 nan 0.000 0.533 402 G N 0.333 108.995 108.800 -0.231 0.000 2.365 402 G HA2 0.561 4.524 3.960 0.006 0.000 0.293 402 G HA3 0.561 4.524 3.960 0.006 0.000 0.293 402 G C 0.538 175.293 174.900 -0.241 0.000 1.128 402 G CA -0.501 44.476 45.100 -0.205 0.000 0.971 402 G HN 0.611 nan 8.290 nan 0.000 0.422 403 L N 1.811 122.812 121.223 -0.370 0.000 2.467 403 L HA 0.425 4.768 4.340 0.006 0.000 0.270 403 L C 1.484 178.147 176.870 -0.346 0.000 1.205 403 L CA 0.840 55.409 54.840 -0.452 0.000 0.828 403 L CB 0.922 42.467 42.059 -0.856 0.000 1.101 403 L HN 0.825 nan 8.230 nan 0.000 0.479 404 G N 1.503 110.256 108.800 -0.078 0.000 2.168 404 G HA2 -0.297 3.667 3.960 0.006 0.000 0.197 404 G HA3 -0.297 3.667 3.960 0.006 0.000 0.197 404 G C 0.125 175.092 174.900 0.112 0.000 0.997 404 G CA 0.223 45.384 45.100 0.103 0.000 0.658 404 G HN 0.636 nan 8.290 nan 0.000 0.513 405 F N 1.536 121.452 119.950 -0.057 0.000 2.222 405 F HA 0.538 5.069 4.527 0.006 0.000 0.285 405 F C 2.547 178.334 175.800 -0.022 0.000 1.068 405 F CA 1.867 59.832 58.000 -0.058 0.000 1.265 405 F CB -0.572 38.358 39.000 -0.117 0.000 1.087 405 F HN 0.245 nan 8.300 nan 0.000 0.511 406 A N 1.517 124.257 122.820 -0.133 0.000 1.884 406 A HA -0.261 4.063 4.320 0.006 0.000 0.219 406 A C 2.337 179.837 177.584 -0.139 0.000 1.197 406 A CA 2.314 54.234 52.037 -0.196 0.000 0.637 406 A CB -1.547 17.493 19.000 0.065 0.000 0.827 406 A HN 0.614 nan 8.150 nan 0.000 0.450 407 L N 0.091 121.328 121.223 0.024 0.000 1.970 407 L HA -0.121 4.223 4.340 0.006 0.000 0.212 407 L C -0.280 176.660 176.870 0.116 0.000 1.071 407 L CA 2.267 57.208 54.840 0.169 0.000 0.751 407 L CB -0.834 41.304 42.059 0.131 0.000 0.889 407 L HN 0.304 nan 8.230 nan 0.000 0.432 408 P HA -0.135 nan 4.420 nan 0.000 0.217 408 P C 1.264 178.473 177.300 -0.151 0.000 1.151 408 P CA 1.906 64.982 63.100 -0.040 0.000 0.828 408 P CB -0.066 31.606 31.700 -0.047 0.000 0.788 409 A N 0.845 123.434 122.820 -0.385 0.000 1.933 409 A HA -0.064 4.260 4.320 0.006 0.000 0.218 409 A C 2.508 179.874 177.584 -0.364 0.000 1.175 409 A CA 2.090 53.793 52.037 -0.557 0.000 0.628 409 A CB -1.543 16.637 19.000 -1.367 0.000 0.814 409 A HN 0.233 nan 8.150 nan 0.000 0.444 410 A N -0.115 122.549 122.820 -0.259 0.000 1.972 410 A HA -0.061 4.263 4.320 0.006 0.000 0.219 410 A C 2.065 179.574 177.584 -0.125 0.000 1.169 410 A CA 1.464 53.389 52.037 -0.185 0.000 0.635 410 A CB -0.557 18.335 19.000 -0.179 0.000 0.810 410 A HN 0.526 nan 8.150 nan 0.000 0.446 411 I N -0.608 119.943 120.570 -0.030 0.000 2.353 411 I HA -0.142 4.031 4.170 0.006 0.000 0.248 411 I C 2.681 178.810 176.117 0.020 0.000 1.119 411 I CA 0.998 62.321 61.300 0.039 0.000 1.417 411 I CB -0.624 37.452 38.000 0.125 0.000 1.078 411 I HN 0.386 nan 8.210 nan 0.000 0.421 412 G N 0.727 109.510 108.800 -0.028 0.000 2.404 412 G HA2 -0.168 3.796 3.960 0.006 0.000 0.215 412 G HA3 -0.168 3.796 3.960 0.006 0.000 0.215 412 G C 1.725 176.658 174.900 0.055 0.000 1.174 412 G CA 0.771 45.884 45.100 0.021 0.000 0.780 412 G HN 0.207 nan 8.290 nan 0.000 0.537 413 V N 0.687 120.545 119.914 -0.094 0.000 2.287 413 V HA -0.244 3.880 4.120 0.006 0.000 0.248 413 V C 2.792 178.865 176.094 -0.035 0.000 1.053 413 V CA 2.332 64.561 62.300 -0.118 0.000 1.027 413 V CB -0.536 31.164 31.823 -0.205 0.000 0.646 413 V HN 0.429 nan 8.190 nan 0.000 0.447 414 Q N -0.235 119.543 119.800 -0.036 0.000 2.181 414 Q HA -0.209 4.135 4.340 0.006 0.000 0.205 414 Q C 1.907 177.929 176.000 0.037 0.000 0.980 414 Q CA 1.815 57.606 55.803 -0.020 0.000 0.862 414 Q CB -0.530 28.180 28.738 -0.046 0.000 0.905 414 Q HN 0.571 nan 8.270 nan 0.000 0.429 415 L N -0.456 120.825 121.223 0.098 0.000 2.156 415 L HA 0.098 4.442 4.340 0.006 0.000 0.208 415 L C 1.895 178.910 176.870 0.240 0.000 1.095 415 L CA 1.920 56.860 54.840 0.166 0.000 0.770 415 L CB -0.689 41.491 42.059 0.201 0.000 0.914 415 L HN 0.220 nan 8.230 nan 0.000 0.439 416 A N -1.610 121.331 122.820 0.202 0.000 1.975 416 A HA 0.052 4.376 4.320 0.006 0.000 0.215 416 A C 1.120 178.692 177.584 -0.020 0.000 1.170 416 A CA 0.657 52.697 52.037 0.005 0.000 0.656 416 A CB -0.127 18.710 19.000 -0.272 0.000 0.821 416 A HN 0.389 nan 8.150 nan 0.000 0.449 417 E N 0.024 120.223 120.200 -0.003 0.000 3.167 417 E HA 0.158 4.512 4.350 0.006 0.000 0.212 417 E C -2.099 174.498 176.600 -0.004 0.000 1.143 417 E CA -1.696 54.698 56.400 -0.010 0.000 1.002 417 E CB 0.826 30.517 29.700 -0.015 0.000 1.315 417 E HN 0.406 nan 8.360 nan 0.000 0.422 418 P HA -0.136 nan 4.420 nan 0.000 0.221 418 P C 0.642 177.938 177.300 -0.007 0.000 1.145 418 P CA 1.019 64.123 63.100 0.007 0.000 0.795 418 P CB 0.607 32.317 31.700 0.018 0.000 0.775 419 E N -0.379 119.814 120.200 -0.011 0.000 2.479 419 E HA 0.086 4.440 4.350 0.006 0.000 0.193 419 E C 0.641 177.225 176.600 -0.026 0.000 1.049 419 E CA 0.210 56.600 56.400 -0.016 0.000 0.870 419 E CB 0.134 29.825 29.700 -0.014 0.000 0.944 419 E HN 0.424 nan 8.360 nan 0.000 0.492 420 R N 1.068 121.548 120.500 -0.033 0.000 2.480 420 R HA 0.250 4.594 4.340 0.006 0.000 0.306 420 R C -0.302 175.956 176.300 -0.071 0.000 0.958 420 R CA -0.836 55.235 56.100 -0.049 0.000 0.861 420 R CB 1.371 31.645 30.300 -0.043 0.000 1.171 420 R HN -0.160 nan 8.270 nan 0.000 0.445 421 Q N 2.431 122.176 119.800 -0.091 0.000 2.262 421 Q HA 0.104 4.447 4.340 0.006 0.000 0.272 421 Q C -0.882 175.016 176.000 -0.171 0.000 1.076 421 Q CA 0.182 55.914 55.803 -0.117 0.000 0.905 421 Q CB 0.854 29.523 28.738 -0.115 0.000 1.182 421 Q HN 0.392 nan 8.270 nan 0.000 0.390 422 V N 6.841 126.656 119.914 -0.166 0.000 2.465 422 V HA 0.402 4.525 4.120 0.006 0.000 0.279 422 V C 0.130 176.080 176.094 -0.241 0.000 1.045 422 V CA -0.408 61.774 62.300 -0.196 0.000 0.938 422 V CB 1.049 32.773 31.823 -0.167 0.000 0.986 422 V HN 0.722 nan 8.190 nan 0.000 0.467 423 I N 4.301 124.721 120.570 -0.250 0.000 2.439 423 I HA 0.582 4.756 4.170 0.006 0.000 0.283 423 I C 0.123 176.210 176.117 -0.050 0.000 1.023 423 I CA -0.503 60.693 61.300 -0.174 0.000 1.100 423 I CB 1.715 39.625 38.000 -0.151 0.000 1.238 423 I HN 0.639 nan 8.210 nan 0.000 0.445 424 A N 6.708 129.472 122.820 -0.092 0.000 2.252 424 A HA 0.658 4.982 4.320 0.006 0.000 0.309 424 A C -0.339 177.311 177.584 0.111 0.000 1.285 424 A CA -0.429 51.618 52.037 0.017 0.000 0.900 424 A CB 0.694 19.675 19.000 -0.032 0.000 1.157 424 A HN 0.460 nan 8.150 nan 0.000 0.536 425 V N 5.212 125.235 119.914 0.182 0.000 2.334 425 V HA 0.304 4.428 4.120 0.006 0.000 0.267 425 V C -0.127 176.077 176.094 0.183 0.000 1.040 425 V CA 0.187 62.602 62.300 0.192 0.000 0.866 425 V CB -0.025 31.975 31.823 0.295 0.000 1.019 425 V HN 0.702 nan 8.190 nan 0.000 0.468 426 I N 3.655 124.307 120.570 0.137 0.000 2.465 426 I HA 0.574 4.748 4.170 0.006 0.000 0.291 426 I C 1.001 177.159 176.117 0.070 0.000 1.014 426 I CA -0.540 60.837 61.300 0.129 0.000 1.093 426 I CB 1.938 40.020 38.000 0.137 0.000 1.267 426 I HN 0.632 nan 8.210 nan 0.000 0.431 427 G N 2.910 111.778 108.800 0.113 0.000 2.594 427 G HA2 0.035 3.999 3.960 0.006 0.000 0.243 427 G HA3 0.035 3.999 3.960 0.006 0.000 0.243 427 G C 0.860 175.784 174.900 0.040 0.000 1.229 427 G CA -0.280 44.876 45.100 0.094 0.000 0.843 427 G HN 0.849 nan 8.290 nan 0.000 0.578 428 D N 0.708 121.099 120.400 -0.014 0.000 2.178 428 D HA -0.110 4.534 4.640 0.006 0.000 0.201 428 D C 2.039 178.509 176.300 0.283 0.000 0.980 428 D CA 1.342 55.309 54.000 -0.054 0.000 0.842 428 D CB -0.609 40.227 40.800 0.059 0.000 0.948 428 D HN 0.459 nan 8.370 nan 0.000 0.472 429 G N 0.398 109.390 108.800 0.320 0.000 2.404 429 G HA2 -0.180 3.783 3.960 0.006 0.000 0.213 429 G HA3 -0.180 3.783 3.960 0.006 0.000 0.213 429 G C 1.862 177.091 174.900 0.549 0.000 1.189 429 G CA 0.786 46.183 45.100 0.495 0.000 0.796 429 G HN 0.325 nan 8.290 nan 0.000 0.532 430 S N 1.230 117.214 115.700 0.473 0.000 2.383 430 S HA -0.065 4.409 4.470 0.006 0.000 0.229 430 S C 2.732 177.601 174.600 0.448 0.000 1.030 430 S CA 1.154 59.638 58.200 0.473 0.000 1.002 430 S CB -0.374 62.974 63.200 0.246 0.000 0.829 430 S HN 0.577 nan 8.310 nan 0.000 0.467 431 A N 2.541 125.547 122.820 0.309 0.000 2.032 431 A HA -0.183 4.141 4.320 0.006 0.000 0.221 431 A C 1.889 179.652 177.584 0.298 0.000 1.165 431 A CA 1.482 53.677 52.037 0.263 0.000 0.645 431 A CB -0.544 18.569 19.000 0.187 0.000 0.807 431 A HN 0.515 nan 8.150 nan 0.000 0.453 432 N N -1.216 117.663 118.700 0.298 0.000 2.216 432 N HA -0.135 4.608 4.740 0.006 0.000 0.183 432 N C 1.508 177.063 175.510 0.076 0.000 1.017 432 N CA 1.477 54.614 53.050 0.146 0.000 0.861 432 N CB -0.519 37.988 38.487 0.032 0.000 0.986 432 N HN 0.636 nan 8.380 nan 0.000 0.428 433 Y N 1.570 121.949 120.300 0.132 0.000 2.102 433 Y HA -0.137 4.416 4.550 0.006 0.000 0.280 433 Y C 1.610 177.555 175.900 0.074 0.000 1.178 433 Y CA 1.181 59.340 58.100 0.097 0.000 1.146 433 Y CB -0.255 38.258 38.460 0.088 0.000 0.968 433 Y HN -0.051 nan 8.280 nan 0.000 0.504 434 S N -0.809 115.027 115.700 0.226 0.000 2.668 434 S HA 0.145 4.619 4.470 0.006 0.000 0.244 434 S C 1.149 175.794 174.600 0.075 0.000 1.140 434 S CA -0.343 57.931 58.200 0.124 0.000 1.134 434 S CB -0.062 63.201 63.200 0.105 0.000 0.954 434 S HN 0.230 nan 8.310 nan 0.000 0.490 435 I N 2.951 123.577 120.570 0.094 0.000 2.248 435 I HA -0.217 3.957 4.170 0.006 0.000 0.248 435 I C 2.350 178.467 176.117 0.000 0.000 1.107 435 I CA 1.854 63.208 61.300 0.090 0.000 1.373 435 I CB -0.335 37.758 38.000 0.156 0.000 1.055 435 I HN 0.476 nan 8.210 nan 0.000 0.418 436 S N 0.614 116.271 115.700 -0.072 0.000 2.500 436 S HA -0.076 4.398 4.470 0.006 0.000 0.239 436 S C 2.181 176.541 174.600 -0.400 0.000 0.989 436 S CA 0.684 58.616 58.200 -0.447 0.000 0.951 436 S CB -0.994 62.046 63.200 -0.268 0.000 0.759 436 S HN 0.516 nan 8.310 nan 0.000 0.523 437 A N 2.271 124.997 122.820 -0.155 0.000 1.978 437 A HA 0.060 4.384 4.320 0.006 0.000 0.220 437 A C 2.186 179.733 177.584 -0.062 0.000 1.170 437 A CA 1.362 53.365 52.037 -0.057 0.000 0.636 437 A CB -0.892 18.104 19.000 -0.008 0.000 0.810 437 A HN 0.570 nan 8.150 nan 0.000 0.448 438 L N -2.563 118.559 121.223 -0.167 0.000 2.051 438 L HA -0.281 4.063 4.340 0.006 0.000 0.214 438 L C 2.463 179.328 176.870 -0.009 0.000 1.076 438 L CA 1.978 56.723 54.840 -0.158 0.000 0.758 438 L CB -0.555 41.432 42.059 -0.121 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.935 122.068 121.300 -0.278 0.000 2.321 439 W HA -0.258 4.406 4.660 0.006 0.000 0.306 439 W C 2.598 179.102 176.519 -0.026 0.000 1.217 439 W CA 2.348 59.612 57.345 -0.135 0.000 1.257 439 W CB -0.429 28.864 29.460 -0.278 0.000 1.145 439 W HN 0.001 nan 8.180 nan 0.000 0.509 440 T N 0.379 115.025 114.554 0.153 0.000 2.746 440 T HA -0.214 4.140 4.350 0.006 0.000 0.267 440 T C 1.936 176.689 174.700 0.088 0.000 1.039 440 T CA 1.984 64.172 62.100 0.146 0.000 1.142 440 T CB -0.931 68.109 68.868 0.286 0.000 0.866 440 T HN 0.265 nan 8.240 nan 0.000 0.444 441 A N 1.434 124.308 122.820 0.090 0.000 1.902 441 A HA 0.125 4.448 4.320 0.006 0.000 0.217 441 A C 2.636 180.230 177.584 0.017 0.000 1.181 441 A CA 1.898 54.008 52.037 0.121 0.000 0.623 441 A CB -1.112 18.033 19.000 0.242 0.000 0.818 441 A HN 0.514 nan 8.150 nan 0.000 0.443 442 A N -1.280 121.489 122.820 -0.086 0.000 1.855 442 A HA -0.168 4.156 4.320 0.006 0.000 0.215 442 A C 2.147 179.544 177.584 -0.312 0.000 1.191 442 A CA 1.638 53.579 52.037 -0.161 0.000 0.613 442 A CB -0.555 18.344 19.000 -0.168 0.000 0.829 442 A HN 0.466 nan 8.150 nan 0.000 0.442 443 Q N -1.027 118.404 119.800 -0.614 0.000 2.061 443 Q HA -0.184 4.159 4.340 0.006 0.000 0.204 443 Q C 1.248 176.835 176.000 -0.687 0.000 0.984 443 Q CA 1.720 57.014 55.803 -0.847 0.000 0.846 443 Q CB -0.424 27.426 28.738 -1.479 0.000 0.902 443 Q HN 0.865 nan 8.270 nan 0.000 0.421 444 Y N -0.017 120.159 120.300 -0.206 0.000 2.493 444 Y HA 0.129 4.683 4.550 0.006 0.000 0.275 444 Y C 0.347 176.204 175.900 -0.071 0.000 1.183 444 Y CA -0.399 57.635 58.100 -0.111 0.000 1.258 444 Y CB -0.348 38.063 38.460 -0.080 0.000 1.108 444 Y HN 0.163 nan 8.280 nan 0.000 0.521 445 N N 1.417 120.114 118.700 -0.006 0.000 2.686 445 N HA -0.230 4.514 4.740 0.006 0.000 0.261 445 N C -1.125 174.414 175.510 0.048 0.000 1.001 445 N CA 0.293 53.348 53.050 0.008 0.000 0.764 445 N CB -1.106 37.377 38.487 -0.006 0.000 0.898 445 N HN 0.404 nan 8.380 nan 0.000 0.544 446 I N 1.532 122.146 120.570 0.073 0.000 2.287 446 I HA 0.207 4.381 4.170 0.006 0.000 0.290 446 I C -1.282 174.867 176.117 0.053 0.000 1.069 446 I CA -2.035 59.306 61.300 0.069 0.000 1.237 446 I CB 1.196 39.252 38.000 0.094 0.000 1.418 446 I HN 0.130 nan 8.210 nan 0.000 0.481 447 P HA -0.066 nan 4.420 nan 0.000 0.311 447 P C 0.136 177.403 177.300 -0.054 0.000 1.543 447 P CA 0.220 63.320 63.100 -0.000 0.000 0.766 447 P CB -0.712 30.983 31.700 -0.008 0.000 1.711 448 T N 1.282 115.783 114.554 -0.088 0.000 2.919 448 T HA 0.247 4.601 4.350 0.006 0.000 0.302 448 T C 0.757 175.205 174.700 -0.421 0.000 1.031 448 T CA 0.235 62.147 62.100 -0.314 0.000 1.127 448 T CB 0.678 69.249 68.868 -0.495 0.000 0.952 448 T HN 0.065 nan 8.240 nan 0.000 0.540 449 I N 3.272 123.563 120.570 -0.465 0.000 2.339 449 I HA 0.346 4.520 4.170 0.006 0.000 0.290 449 I C -0.863 174.995 176.117 -0.433 0.000 0.994 449 I CA -0.645 60.477 61.300 -0.296 0.000 1.191 449 I CB 0.909 38.827 38.000 -0.135 0.000 1.343 449 I HN 0.513 nan 8.210 nan 0.000 0.458 450 F N 5.997 125.962 119.950 0.025 0.000 2.361 450 F HA 0.373 4.904 4.527 0.006 0.000 0.364 450 F C 0.090 175.901 175.800 0.018 0.000 1.117 450 F CA -0.870 57.147 58.000 0.027 0.000 1.071 450 F CB 1.245 40.267 39.000 0.036 0.000 1.188 450 F HN 0.017 nan 8.300 nan 0.000 0.464 451 V N 5.641 125.639 119.914 0.140 0.000 2.304 451 V HA 0.259 4.383 4.120 0.006 0.000 0.269 451 V C 0.119 176.236 176.094 0.038 0.000 1.036 451 V CA -0.563 61.782 62.300 0.075 0.000 0.840 451 V CB 0.560 32.415 31.823 0.052 0.000 1.036 451 V HN 0.422 nan 8.190 nan 0.000 0.466 452 I N 6.064 126.617 120.570 -0.028 0.000 2.337 452 I HA 0.285 4.459 4.170 0.006 0.000 0.291 452 I C 0.302 176.323 176.117 -0.160 0.000 1.046 452 I CA -0.271 60.929 61.300 -0.166 0.000 1.324 452 I CB 1.170 38.907 38.000 -0.438 0.000 1.409 452 I HN 0.443 nan 8.210 nan 0.000 0.494 453 M N 5.847 125.381 119.600 -0.110 0.000 2.264 453 M HA 0.136 4.619 4.480 0.006 0.000 0.340 453 M C 0.186 176.439 176.300 -0.080 0.000 1.420 453 M CA -0.014 55.240 55.300 -0.076 0.000 1.254 453 M CB -0.557 32.026 32.600 -0.028 0.000 1.575 453 M HN 0.359 nan 8.290 nan 0.000 0.452 454 N N 3.832 122.487 118.700 -0.075 0.000 2.500 454 N HA 0.155 4.899 4.740 0.006 0.000 0.236 454 N C -0.088 175.437 175.510 0.024 0.000 1.022 454 N CA -0.076 52.962 53.050 -0.021 0.000 0.935 454 N CB 0.457 38.956 38.487 0.019 0.000 1.147 454 N HN 0.493 nan 8.380 nan 0.000 0.512 455 N N 2.031 120.757 118.700 0.044 0.000 2.200 455 N HA 0.161 4.905 4.740 0.006 0.000 0.224 455 N C 0.897 176.440 175.510 0.056 0.000 1.179 455 N CA 0.067 53.144 53.050 0.045 0.000 0.877 455 N CB 0.042 38.557 38.487 0.048 0.000 1.072 455 N HN 0.449 nan 8.380 nan 0.000 0.519 456 G N -0.926 107.917 108.800 0.071 0.000 2.233 456 G HA2 -0.263 3.701 3.960 0.006 0.000 0.270 456 G HA3 -0.263 3.701 3.960 0.006 0.000 0.270 456 G C -0.009 174.899 174.900 0.014 0.000 1.011 456 G CA 1.050 46.182 45.100 0.054 0.000 0.762 456 G HN 0.802 nan 8.290 nan 0.000 0.511 457 T N -1.966 112.608 114.554 0.032 0.000 2.821 457 T HA 0.505 4.859 4.350 0.006 0.000 0.306 457 T C -0.578 174.196 174.700 0.124 0.000 1.313 457 T CA -0.630 61.479 62.100 0.016 0.000 1.012 457 T CB 0.901 69.811 68.868 0.071 0.000 1.298 457 T HN 0.242 nan 8.240 nan 0.000 0.502 458 Y N 2.542 122.928 120.300 0.143 0.000 2.623 458 Y HA 0.237 4.791 4.550 0.006 0.000 0.341 458 Y C 1.885 177.888 175.900 0.171 0.000 1.292 458 Y CA -0.552 57.647 58.100 0.165 0.000 1.840 458 Y CB 0.026 38.589 38.460 0.172 0.000 1.865 458 Y HN 0.959 nan 8.280 nan 0.000 0.440 459 G N 1.526 110.508 108.800 0.303 0.000 2.599 459 G HA2 -0.427 3.537 3.960 0.006 0.000 0.219 459 G HA3 -0.427 3.537 3.960 0.006 0.000 0.219 459 G C 1.835 176.899 174.900 0.274 0.000 1.193 459 G CA 1.150 46.396 45.100 0.243 0.000 0.778 459 G HN 0.651 nan 8.290 nan 0.000 0.589 460 A N 0.265 123.237 122.820 0.252 0.000 1.948 460 A HA 0.006 4.330 4.320 0.006 0.000 0.220 460 A C 2.476 180.263 177.584 0.337 0.000 1.177 460 A CA 1.619 53.810 52.037 0.258 0.000 0.636 460 A CB -0.358 18.763 19.000 0.201 0.000 0.815 460 A HN 0.407 nan 8.150 nan 0.000 0.449 461 L N -1.716 119.697 121.223 0.316 0.000 2.109 461 L HA -0.104 4.240 4.340 0.006 0.000 0.207 461 L C 2.835 179.901 176.870 0.327 0.000 1.086 461 L CA 1.102 56.139 54.840 0.328 0.000 0.760 461 L CB -0.502 41.728 42.059 0.285 0.000 0.910 461 L HN 0.365 nan 8.230 nan 0.000 0.437 462 R N -0.670 120.018 120.500 0.313 0.000 2.092 462 R HA -0.196 4.148 4.340 0.006 0.000 0.231 462 R C 2.143 178.629 176.300 0.309 0.000 1.119 462 R CA 1.553 57.811 56.100 0.263 0.000 0.970 462 R CB -0.351 30.095 30.300 0.244 0.000 0.864 462 R HN 0.512 nan 8.270 nan 0.000 0.440 463 W N 0.853 122.250 121.300 0.161 0.000 2.322 463 W HA -0.298 4.366 4.660 0.006 0.000 0.326 463 W C 1.835 178.475 176.519 0.203 0.000 1.224 463 W CA 1.303 58.741 57.345 0.155 0.000 1.257 463 W CB -0.780 28.769 29.460 0.148 0.000 1.174 463 W HN 0.039 nan 8.180 nan 0.000 0.460 464 F N 1.655 121.697 119.950 0.154 0.000 2.111 464 F HA -0.364 4.166 4.527 0.006 0.000 0.300 464 F C 2.483 178.248 175.800 -0.058 0.000 1.088 464 F CA 2.405 60.400 58.000 -0.008 0.000 1.243 464 F CB -0.552 38.502 39.000 0.090 0.000 0.996 464 F HN -0.007 nan 8.300 nan 0.000 0.483 465 A N 0.391 123.200 122.820 -0.018 0.000 1.892 465 A HA -0.224 4.100 4.320 0.006 0.000 0.218 465 A C 2.390 179.860 177.584 -0.190 0.000 1.188 465 A CA 2.002 53.957 52.037 -0.137 0.000 0.631 465 A CB -1.844 17.157 19.000 0.001 0.000 0.822 465 A HN 0.539 nan 8.150 nan 0.000 0.447 466 G N -0.365 108.332 108.800 -0.171 0.000 2.418 466 G HA2 -0.149 3.815 3.960 0.006 0.000 0.217 466 G HA3 -0.149 3.815 3.960 0.006 0.000 0.217 466 G C 1.673 176.394 174.900 -0.299 0.000 1.158 466 G CA 2.186 47.144 45.100 -0.236 0.000 0.771 466 G HN 1.103 nan 8.290 nan 0.000 0.545 467 V N 0.114 119.812 119.914 -0.360 0.000 2.237 467 V HA -0.084 4.039 4.120 0.006 0.000 0.245 467 V C 2.669 178.620 176.094 -0.239 0.000 1.046 467 V CA 1.807 63.943 62.300 -0.273 0.000 1.007 467 V CB -0.863 30.878 31.823 -0.138 0.000 0.638 467 V HN 0.298 nan 8.190 nan 0.000 0.445 468 L N 0.172 121.176 121.223 -0.365 0.000 2.551 468 L HA -0.072 4.272 4.340 0.006 0.000 0.230 468 L C 1.785 178.527 176.870 -0.213 0.000 1.163 468 L CA 1.546 56.182 54.840 -0.340 0.000 0.826 468 L CB -1.336 40.399 42.059 -0.541 0.000 0.943 468 L HN 0.560 nan 8.230 nan 0.000 0.452 469 E N -0.909 119.176 120.200 -0.191 0.000 2.735 469 E HA -0.259 4.095 4.350 0.006 0.000 0.261 469 E C 0.587 177.118 176.600 -0.115 0.000 1.137 469 E CA 0.282 56.604 56.400 -0.131 0.000 0.754 469 E CB -0.898 28.743 29.700 -0.099 0.000 1.352 469 E HN 0.596 nan 8.360 nan 0.000 0.430 470 A N 1.382 124.113 122.820 -0.149 0.000 2.491 470 A HA 0.196 4.519 4.320 0.006 0.000 0.261 470 A C 0.348 177.889 177.584 -0.073 0.000 1.101 470 A CA 0.392 52.358 52.037 -0.118 0.000 0.772 470 A CB 0.300 19.204 19.000 -0.159 0.000 1.043 470 A HN 0.208 nan 8.150 nan 0.000 0.501 471 E N 1.917 122.088 120.200 -0.047 0.000 2.277 471 E HA 0.404 4.757 4.350 0.006 0.000 0.266 471 E C -0.566 176.027 176.600 -0.012 0.000 0.901 471 E CA -1.194 55.191 56.400 -0.025 0.000 0.782 471 E CB 1.064 30.751 29.700 -0.022 0.000 1.228 471 E HN 0.686 nan 8.360 nan 0.000 0.424 472 N N -0.254 118.446 118.700 0.001 0.000 2.815 472 N HA -0.132 4.612 4.740 0.006 0.000 0.248 472 N C -0.982 174.537 175.510 0.016 0.000 1.110 472 N CA 0.338 53.393 53.050 0.009 0.000 0.699 472 N CB -1.297 37.192 38.487 0.004 0.000 1.040 472 N HN 0.167 nan 8.380 nan 0.000 0.555 473 V N 2.286 122.213 119.914 0.023 0.000 2.432 473 V HA 0.308 4.431 4.120 0.006 0.000 0.271 473 V C -0.842 175.285 176.094 0.056 0.000 1.046 473 V CA -0.818 61.504 62.300 0.038 0.000 0.945 473 V CB 1.234 33.083 31.823 0.043 0.000 0.992 473 V HN 0.125 nan 8.190 nan 0.000 0.471 474 P HA 0.293 nan 4.420 nan 0.000 0.277 474 P C 0.650 178.007 177.300 0.096 0.000 1.271 474 P CA 0.243 63.381 63.100 0.064 0.000 0.795 474 P CB 0.786 32.517 31.700 0.052 0.000 1.101 475 G N 0.011 108.866 108.800 0.091 0.000 2.341 475 G HA2 -0.237 3.726 3.960 0.006 0.000 0.292 475 G HA3 -0.237 3.726 3.960 0.006 0.000 0.292 475 G C 0.530 175.551 174.900 0.202 0.000 1.021 475 G CA 0.481 45.657 45.100 0.126 0.000 0.905 475 G HN 0.483 nan 8.290 nan 0.000 0.508 476 L N -1.082 120.235 121.223 0.157 0.000 2.554 476 L HA 0.254 4.598 4.340 0.006 0.000 0.225 476 L C 0.349 177.243 176.870 0.040 0.000 1.104 476 L CA 0.072 55.046 54.840 0.223 0.000 0.866 476 L CB 0.092 42.267 42.059 0.194 0.000 1.047 476 L HN 0.131 nan 8.230 nan 0.000 0.468 477 D N 0.515 120.884 120.400 -0.052 0.000 2.248 477 D HA 0.326 4.969 4.640 0.006 0.000 0.246 477 D C -0.032 176.138 176.300 -0.218 0.000 1.027 477 D CA -0.083 53.845 54.000 -0.120 0.000 0.853 477 D CB 3.038 43.817 40.800 -0.035 0.000 1.243 477 D HN -0.197 nan 8.370 nan 0.000 0.462 478 V N -0.680 119.091 119.914 -0.239 0.000 2.454 478 V HA 0.355 4.479 4.120 0.006 0.000 0.255 478 V C -2.499 173.547 176.094 -0.080 0.000 1.009 478 V CA -1.374 60.803 62.300 -0.204 0.000 1.149 478 V CB 0.448 32.088 31.823 -0.305 0.000 1.418 478 V HN 0.316 nan 8.190 nan 0.000 0.567 479 P HA 0.434 nan 4.420 nan 0.000 0.276 479 P C 0.833 178.110 177.300 -0.039 0.000 1.261 479 P CA 0.943 64.027 63.100 -0.025 0.000 0.800 479 P CB 1.348 33.036 31.700 -0.020 0.000 1.066 480 G N -0.056 108.724 108.800 -0.034 0.000 2.198 480 G HA2 -0.192 3.772 3.960 0.006 0.000 0.257 480 G HA3 -0.192 3.772 3.960 0.006 0.000 0.257 480 G C -0.149 174.684 174.900 -0.111 0.000 1.042 480 G CA -0.118 44.946 45.100 -0.059 0.000 0.791 480 G HN 0.486 nan 8.290 nan 0.000 0.502 481 I N 0.521 121.001 120.570 -0.151 0.000 2.389 481 I HA 0.300 4.473 4.170 0.006 0.000 0.288 481 I C -0.714 175.142 176.117 -0.436 0.000 0.999 481 I CA -0.815 60.265 61.300 -0.367 0.000 1.129 481 I CB 1.799 39.469 38.000 -0.549 0.000 1.288 481 I HN 0.019 nan 8.210 nan 0.000 0.444 482 D N 6.428 126.597 120.400 -0.385 0.000 2.467 482 D HA 0.210 4.854 4.640 0.006 0.000 0.220 482 D C 0.578 176.712 176.300 -0.277 0.000 1.103 482 D CA -0.312 53.556 54.000 -0.220 0.000 0.886 482 D CB 0.591 41.320 40.800 -0.117 0.000 1.025 482 D HN 0.296 nan 8.370 nan 0.000 0.514 483 F N 2.004 121.961 119.950 0.012 0.000 2.293 483 F HA 0.009 4.540 4.527 0.006 0.000 0.300 483 F C 2.362 178.172 175.800 0.016 0.000 1.086 483 F CA 0.515 58.526 58.000 0.019 0.000 1.375 483 F CB 0.011 39.031 39.000 0.033 0.000 1.045 483 F HN 0.232 nan 8.300 nan 0.000 0.516 484 R N 0.185 120.779 120.500 0.157 0.000 2.092 484 R HA -0.072 4.271 4.340 0.006 0.000 0.231 484 R C 2.477 178.802 176.300 0.042 0.000 1.119 484 R CA 1.128 57.286 56.100 0.097 0.000 0.970 484 R CB -0.671 29.674 30.300 0.075 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.976 123.797 122.820 0.001 0.000 1.898 485 A HA -0.110 4.214 4.320 0.006 0.000 0.216 485 A C 2.118 179.669 177.584 -0.055 0.000 1.181 485 A CA 1.096 53.111 52.037 -0.037 0.000 0.620 485 A CB -0.516 18.444 19.000 -0.067 0.000 0.819 485 A HN 0.178 nan 8.150 nan 0.000 0.442 486 L N -0.792 120.398 121.223 -0.054 0.000 2.046 486 L HA -0.208 4.135 4.340 0.006 0.000 0.208 486 L C 3.119 179.999 176.870 0.017 0.000 1.077 486 L CA 1.085 55.898 54.840 -0.046 0.000 0.747 486 L CB -0.600 41.453 42.059 -0.009 0.000 0.896 486 L HN 0.453 nan 8.230 nan 0.000 0.432 487 A N 0.153 123.012 122.820 0.066 0.000 1.902 487 A HA -0.264 4.059 4.320 0.006 0.000 0.217 487 A C 2.410 180.032 177.584 0.063 0.000 1.181 487 A CA 2.025 54.113 52.037 0.085 0.000 0.623 487 A CB -0.474 18.578 19.000 0.087 0.000 0.818 487 A HN 0.345 nan 8.150 nan 0.000 0.443 488 K N -0.550 119.864 120.400 0.024 0.000 2.057 488 K HA -0.114 4.210 4.320 0.006 0.000 0.207 488 K C 2.024 178.608 176.600 -0.026 0.000 1.049 488 K CA 1.409 57.701 56.287 0.007 0.000 0.931 488 K CB -0.594 31.901 32.500 -0.008 0.000 0.714 488 K HN 0.377 nan 8.250 nan 0.000 0.440 489 G N -0.178 108.558 108.800 -0.106 0.000 2.469 489 G HA2 -0.252 3.712 3.960 0.006 0.000 0.220 489 G HA3 -0.252 3.712 3.960 0.006 0.000 0.220 489 G C 0.852 175.584 174.900 -0.281 0.000 1.136 489 G CA 0.954 45.898 45.100 -0.259 0.000 0.759 489 G HN 0.453 nan 8.290 nan 0.000 0.562 490 Y N -0.043 120.314 120.300 0.094 0.000 2.607 490 Y HA 0.377 4.931 4.550 0.006 0.000 0.266 490 Y C 1.747 177.724 175.900 0.128 0.000 1.178 490 Y CA -0.210 58.003 58.100 0.188 0.000 1.226 490 Y CB 0.709 39.284 38.460 0.192 0.000 1.144 490 Y HN 0.264 nan 8.280 nan 0.000 0.528 491 G N 0.908 109.809 108.800 0.169 0.000 2.198 491 G HA2 -0.249 3.715 3.960 0.006 0.000 0.257 491 G HA3 -0.249 3.715 3.960 0.006 0.000 0.257 491 G C -0.508 174.429 174.900 0.063 0.000 1.042 491 G CA 0.183 45.335 45.100 0.088 0.000 0.791 491 G HN 0.144 nan 8.290 nan 0.000 0.502 492 V N 0.483 120.447 119.914 0.083 0.000 2.459 492 V HA 0.420 4.543 4.120 0.006 0.000 0.295 492 V C 0.817 176.956 176.094 0.075 0.000 1.029 492 V CA -0.752 61.595 62.300 0.078 0.000 0.874 492 V CB 1.887 33.761 31.823 0.086 0.000 0.985 492 V HN 0.516 nan 8.190 nan 0.000 0.438 493 Q N 2.538 122.381 119.800 0.071 0.000 2.286 493 Q HA 0.386 4.730 4.340 0.006 0.000 0.290 493 Q C -0.178 175.869 176.000 0.079 0.000 1.049 493 Q CA 0.161 56.002 55.803 0.064 0.000 0.923 493 Q CB 0.782 29.554 28.738 0.056 0.000 1.183 493 Q HN 0.943 nan 8.270 nan 0.000 0.383 494 A N 4.896 127.757 122.820 0.068 0.000 2.374 494 A HA 0.800 5.124 4.320 0.006 0.000 0.317 494 A C -1.322 176.301 177.584 0.065 0.000 1.094 494 A CA -0.704 51.379 52.037 0.077 0.000 0.765 494 A CB 1.151 20.197 19.000 0.078 0.000 1.268 494 A HN 0.740 nan 8.150 nan 0.000 0.438 495 L N 0.483 121.748 121.223 0.069 0.000 2.376 495 L HA 0.677 5.021 4.340 0.006 0.000 0.258 495 L C -0.540 176.364 176.870 0.056 0.000 1.013 495 L CA -1.035 53.838 54.840 0.055 0.000 0.822 495 L CB 2.528 44.616 42.059 0.048 0.000 1.388 495 L HN 0.720 nan 8.230 nan 0.000 0.413 496 K N 1.183 121.610 120.400 0.045 0.000 2.316 496 K HA 0.833 5.156 4.320 0.006 0.000 0.251 496 K C -1.352 175.265 176.600 0.029 0.000 0.934 496 K CA -0.297 56.015 56.287 0.043 0.000 0.802 496 K CB 2.191 34.716 32.500 0.042 0.000 1.171 496 K HN 0.633 nan 8.250 nan 0.000 0.426 497 A N 3.659 126.493 122.820 0.023 0.000 2.522 497 A HA 0.335 4.658 4.320 0.006 0.000 0.285 497 A C -0.817 176.770 177.584 0.005 0.000 1.198 497 A CA -0.614 51.429 52.037 0.011 0.000 0.742 497 A CB 0.496 19.498 19.000 0.005 0.000 1.176 497 A HN 0.835 nan 8.150 nan 0.000 0.444 498 D N 1.040 121.443 120.400 0.005 0.000 2.360 498 D HA 0.058 4.702 4.640 0.006 0.000 0.210 498 D C 0.065 176.360 176.300 -0.008 0.000 1.047 498 D CA 0.871 54.871 54.000 0.000 0.000 0.854 498 D CB 0.425 41.228 40.800 0.005 0.000 0.936 498 D HN 0.787 nan 8.370 nan 0.000 0.514 499 N N -1.152 117.545 118.700 -0.006 0.000 3.020 499 N HA 0.056 4.800 4.740 0.006 0.000 0.248 499 N C 0.273 175.782 175.510 -0.003 0.000 1.480 499 N CA -0.739 52.307 53.050 -0.007 0.000 0.874 499 N CB 1.085 39.572 38.487 -0.001 0.000 1.433 499 N HN -0.248 nan 8.380 nan 0.000 0.530 500 L N 0.043 121.267 121.223 0.001 0.000 2.013 500 L HA -0.046 4.298 4.340 0.006 0.000 0.212 500 L C 1.691 178.565 176.870 0.007 0.000 1.073 500 L CA 2.059 56.902 54.840 0.005 0.000 0.753 500 L CB -0.905 41.162 42.059 0.014 0.000 0.890 500 L HN 0.664 nan 8.230 nan 0.000 0.432 501 E N -0.402 119.803 120.200 0.009 0.000 2.077 501 E HA -0.242 4.112 4.350 0.006 0.000 0.193 501 E C 2.209 178.815 176.600 0.009 0.000 0.989 501 E CA 1.359 57.765 56.400 0.010 0.000 0.800 501 E CB -0.253 29.453 29.700 0.010 0.000 0.746 501 E HN 0.688 nan 8.360 nan 0.000 0.452 502 Q N -0.002 119.803 119.800 0.008 0.000 2.119 502 Q HA -0.119 4.225 4.340 0.006 0.000 0.201 502 Q C 2.262 178.268 176.000 0.009 0.000 0.972 502 Q CA 0.679 56.488 55.803 0.009 0.000 0.847 502 Q CB -0.130 28.613 28.738 0.009 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.400 122.626 121.223 0.005 0.000 1.989 503 L HA -0.223 4.121 4.340 0.006 0.000 0.211 503 L C 1.860 178.735 176.870 0.009 0.000 1.071 503 L CA 1.923 56.765 54.840 0.003 0.000 0.749 503 L CB -0.314 41.741 42.059 -0.006 0.000 0.890 503 L HN -0.007 nan 8.230 nan 0.000 0.431 504 K N -0.654 119.753 120.400 0.010 0.000 2.032 504 K HA -0.144 4.180 4.320 0.006 0.000 0.209 504 K C 2.005 178.614 176.600 0.014 0.000 1.048 504 K CA 1.388 57.683 56.287 0.013 0.000 0.927 504 K CB -0.851 31.657 32.500 0.014 0.000 0.712 504 K HN 0.581 nan 8.250 nan 0.000 0.441 505 G N 0.729 109.536 108.800 0.013 0.000 2.421 505 G HA2 -0.249 3.715 3.960 0.006 0.000 0.216 505 G HA3 -0.249 3.715 3.960 0.006 0.000 0.216 505 G C 1.553 176.462 174.900 0.015 0.000 1.171 505 G CA 0.997 46.105 45.100 0.013 0.000 0.775 505 G HN 0.197 nan 8.290 nan 0.000 0.543 506 S N 0.526 116.236 115.700 0.017 0.000 2.348 506 S HA -0.036 4.438 4.470 0.006 0.000 0.221 506 S C 2.312 176.925 174.600 0.021 0.000 1.033 506 S CA 0.935 59.148 58.200 0.021 0.000 1.010 506 S CB -0.348 62.866 63.200 0.023 0.000 0.891 506 S HN 0.294 nan 8.310 nan 0.000 0.442 507 L N 1.308 122.542 121.223 0.019 0.000 2.012 507 L HA -0.230 4.114 4.340 0.006 0.000 0.210 507 L C 2.902 179.781 176.870 0.015 0.000 1.073 507 L CA 1.653 56.505 54.840 0.019 0.000 0.748 507 L CB -0.539 41.534 42.059 0.022 0.000 0.891 507 L HN 0.414 nan 8.230 nan 0.000 0.431 508 Q N -0.021 119.788 119.800 0.014 0.000 2.096 508 Q HA -0.293 4.051 4.340 0.006 0.000 0.204 508 Q C 2.127 178.133 176.000 0.010 0.000 0.982 508 Q CA 2.058 57.867 55.803 0.011 0.000 0.850 508 Q CB -0.019 28.726 28.738 0.011 0.000 0.901 508 Q HN 0.475 nan 8.270 nan 0.000 0.422 509 E N -0.677 119.531 120.200 0.013 0.000 2.047 509 E HA -0.184 4.169 4.350 0.006 0.000 0.191 509 E C 1.851 178.460 176.600 0.015 0.000 0.987 509 E CA 0.884 57.292 56.400 0.014 0.000 0.799 509 E CB -0.141 29.570 29.700 0.018 0.000 0.752 509 E HN 0.471 nan 8.360 nan 0.000 0.449 510 A N 1.051 123.881 122.820 0.017 0.000 1.877 510 A HA -0.184 4.140 4.320 0.006 0.000 0.216 510 A C 2.082 179.668 177.584 0.003 0.000 1.186 510 A CA 1.101 53.148 52.037 0.017 0.000 0.620 510 A CB -0.676 18.337 19.000 0.021 0.000 0.822 510 A HN 0.285 nan 8.150 nan 0.000 0.443 511 L N 0.822 122.044 121.223 -0.002 0.000 2.013 511 L HA -0.189 4.154 4.340 0.006 0.000 0.212 511 L C 2.903 179.768 176.870 -0.009 0.000 1.073 511 L CA 2.631 57.464 54.840 -0.011 0.000 0.753 511 L CB -1.082 40.972 42.059 -0.008 0.000 0.890 511 L HN 0.625 nan 8.230 nan 0.000 0.432 512 S N -1.494 114.205 115.700 -0.002 0.000 2.527 512 S HA 0.238 4.712 4.470 0.006 0.000 0.222 512 S C 1.106 175.707 174.600 0.001 0.000 0.985 512 S CA 0.089 58.288 58.200 -0.001 0.000 0.921 512 S CB -0.468 62.733 63.200 0.002 0.000 0.772 512 S HN 0.301 nan 8.310 nan 0.000 0.529 513 A N 2.028 124.851 122.820 0.004 0.000 2.483 513 A HA 0.380 4.703 4.320 0.006 0.000 0.238 513 A C 1.136 178.723 177.584 0.005 0.000 1.070 513 A CA -0.388 51.654 52.037 0.009 0.000 0.770 513 A CB 0.322 19.332 19.000 0.017 0.000 1.008 513 A HN 0.250 nan 8.150 nan 0.000 0.497 514 K N 1.359 121.763 120.400 0.007 0.000 2.426 514 K HA 0.104 4.427 4.320 0.006 0.000 0.193 514 K C 0.920 177.525 176.600 0.008 0.000 1.028 514 K CA 0.946 57.236 56.287 0.005 0.000 1.047 514 K CB 0.179 32.681 32.500 0.003 0.000 0.821 514 K HN 0.760 nan 8.250 nan 0.000 0.513 515 G N 1.972 110.782 108.800 0.016 0.000 3.140 515 G HA2 0.409 4.372 3.960 0.006 0.000 0.271 515 G HA3 0.409 4.372 3.960 0.006 0.000 0.271 515 G C -2.915 172.011 174.900 0.044 0.000 1.370 515 G CA -1.300 43.815 45.100 0.025 0.000 1.014 515 G HN -0.206 nan 8.290 nan 0.000 0.541 516 P HA 0.363 nan 4.420 nan 0.000 0.271 516 P C -0.850 176.545 177.300 0.158 0.000 1.218 516 P CA -0.101 63.086 63.100 0.145 0.000 0.780 516 P CB 1.678 33.528 31.700 0.249 0.000 0.901 517 V N 3.505 123.534 119.914 0.193 0.000 2.808 517 V HA 0.370 4.493 4.120 0.006 0.000 0.308 517 V C -0.084 176.172 176.094 0.270 0.000 1.099 517 V CA -0.759 61.646 62.300 0.174 0.000 0.920 517 V CB 2.194 34.072 31.823 0.093 0.000 1.014 517 V HN 0.476 nan 8.190 nan 0.000 0.425 518 L N 5.510 126.871 121.223 0.231 0.000 2.322 518 L HA 0.719 5.062 4.340 0.006 0.000 0.281 518 L C -1.159 175.798 176.870 0.146 0.000 1.014 518 L CA -0.389 54.593 54.840 0.238 0.000 0.815 518 L CB 1.368 43.532 42.059 0.175 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.578 125.222 120.570 0.123 0.000 2.382 519 I HA 0.308 4.482 4.170 0.006 0.000 0.286 519 I C -0.355 175.792 176.117 0.050 0.000 1.002 519 I CA -0.445 60.901 61.300 0.076 0.000 1.135 519 I CB 1.831 39.864 38.000 0.054 0.000 1.288 519 I HN 0.617 nan 8.210 nan 0.000 0.448 520 E N 6.387 126.621 120.200 0.056 0.000 2.105 520 E HA 0.349 4.703 4.350 0.006 0.000 0.285 520 E C -1.241 175.368 176.600 0.015 0.000 1.055 520 E CA -0.485 55.935 56.400 0.034 0.000 0.843 520 E CB 1.154 30.926 29.700 0.121 0.000 1.067 520 E HN 0.356 nan 8.360 nan 0.000 0.398 521 V N 3.910 123.810 119.914 -0.023 0.000 2.394 521 V HA 0.153 4.277 4.120 0.006 0.000 0.282 521 V C -0.019 176.059 176.094 -0.027 0.000 1.031 521 V CA -0.731 61.553 62.300 -0.027 0.000 0.881 521 V CB 1.665 33.457 31.823 -0.051 0.000 0.982 521 V HN 0.621 nan 8.190 nan 0.000 0.451 522 S N 3.896 119.586 115.700 -0.016 0.000 2.405 522 S HA 0.371 4.845 4.470 0.006 0.000 0.291 522 S C 0.517 175.093 174.600 -0.040 0.000 1.137 522 S CA -0.509 57.683 58.200 -0.014 0.000 1.061 522 S CB 0.301 63.498 63.200 -0.005 0.000 1.001 522 S HN 0.973 nan 8.310 nan 0.000 0.507 523 T N -0.637 113.892 114.554 -0.041 0.000 2.952 523 T HA 0.665 5.018 4.350 0.006 0.000 0.286 523 T C 0.307 174.969 174.700 -0.063 0.000 1.024 523 T CA -1.010 61.052 62.100 -0.065 0.000 1.029 523 T CB 0.947 69.784 68.868 -0.053 0.000 1.094 523 T HN 0.396 nan 8.240 nan 0.000 0.515 524 V N -0.684 119.167 119.914 -0.105 0.000 2.649 524 V HA 0.739 4.863 4.120 0.006 0.000 0.292 524 V C 0.763 176.850 176.094 -0.012 0.000 1.055 524 V CA -0.290 61.956 62.300 -0.091 0.000 1.023 524 V CB -0.476 31.228 31.823 -0.199 0.000 0.992 524 V HN 1.390 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.708 115.700 0.014 0.000 2.498 525 S HA 0.000 4.474 4.470 0.006 0.000 0.327 525 S CA 0.000 58.230 58.200 0.050 0.000 1.107 525 S CB 0.000 63.232 63.200 0.053 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517