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_E 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 0.000 177.676 177.584 0.154 0.000 1.274 2 A CA 0.000 52.118 52.037 0.135 0.000 0.836 2 A CB 0.000 19.101 19.000 0.168 0.000 0.831 3 S N -0.275 115.533 115.700 0.179 0.000 2.614 3 S HA 0.444 4.914 4.470 0.000 0.000 0.265 3 S C 1.141 175.907 174.600 0.276 0.000 1.303 3 S CA 0.060 58.388 58.200 0.213 0.000 1.000 3 S CB 1.036 64.376 63.200 0.234 0.000 0.935 3 S HN 1.473 nan 8.310 nan 0.000 0.551 4 V N 1.724 121.809 119.914 0.286 0.000 2.392 4 V HA -0.205 3.915 4.120 0.000 0.000 0.249 4 V C 2.562 178.970 176.094 0.524 0.000 1.059 4 V CA 2.281 64.769 62.300 0.312 0.000 1.051 4 V CB -1.438 30.496 31.823 0.186 0.000 0.658 4 V HN 1.043 nan 8.190 nan 0.000 0.455 5 H N 0.864 120.254 119.070 0.533 0.000 2.267 5 H HA -0.163 4.393 4.556 0.000 0.000 0.297 5 H C 2.330 177.899 175.328 0.402 0.000 1.080 5 H CA 2.337 58.716 56.048 0.552 0.000 1.278 5 H CB -0.554 29.436 29.762 0.379 0.000 1.365 5 H HN 0.401 nan 8.280 nan 0.000 0.489 6 G N -0.457 108.626 108.800 0.472 0.000 2.446 6 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 6 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 6 G C 1.823 176.869 174.900 0.243 0.000 1.168 6 G CA 1.548 46.833 45.100 0.309 0.000 0.771 6 G HN 0.476 nan 8.290 nan 0.000 0.551 7 T N 0.900 115.629 114.554 0.290 0.000 2.788 7 T HA -0.114 4.237 4.350 0.000 0.000 0.268 7 T C 2.617 177.521 174.700 0.339 0.000 1.044 7 T CA 1.779 64.092 62.100 0.355 0.000 1.139 7 T CB -0.463 68.613 68.868 0.346 0.000 0.867 7 T HN 0.309 nan 8.240 nan 0.000 0.454 8 T N 0.825 115.548 114.554 0.282 0.000 2.737 8 T HA -0.059 4.291 4.350 0.000 0.000 0.265 8 T C 1.634 176.339 174.700 0.007 0.000 1.038 8 T CA 1.099 63.320 62.100 0.202 0.000 1.144 8 T CB -0.519 68.539 68.868 0.315 0.000 0.866 8 T HN 0.443 nan 8.240 nan 0.000 0.434 9 Y N 1.196 121.439 120.300 -0.096 0.000 2.274 9 Y HA -0.089 4.461 4.550 0.000 0.000 0.290 9 Y C 2.647 178.476 175.900 -0.118 0.000 1.145 9 Y CA 1.120 59.043 58.100 -0.295 0.000 1.203 9 Y CB -0.115 37.995 38.460 -0.585 0.000 0.984 9 Y HN 0.174 nan 8.280 nan 0.000 0.533 10 E N 0.533 120.751 120.200 0.029 0.000 2.072 10 E HA -0.190 4.160 4.350 0.000 0.000 0.191 10 E C 2.014 178.485 176.600 -0.216 0.000 0.985 10 E CA 0.996 57.284 56.400 -0.186 0.000 0.801 10 E CB -0.538 28.894 29.700 -0.447 0.000 0.750 10 E HN 0.348 nan 8.360 nan 0.000 0.452 11 L N 0.264 121.508 121.223 0.034 0.000 2.012 11 L HA -0.120 4.220 4.340 0.000 0.000 0.210 11 L C 2.160 179.111 176.870 0.135 0.000 1.073 11 L CA 1.715 56.705 54.840 0.250 0.000 0.748 11 L CB -0.645 41.637 42.059 0.373 0.000 0.891 11 L HN 0.277 nan 8.230 nan 0.000 0.431 12 L N -0.314 120.971 121.223 0.103 0.000 1.989 12 L HA -0.247 4.093 4.340 0.000 0.000 0.211 12 L C 2.905 179.858 176.870 0.137 0.000 1.071 12 L CA 2.098 57.005 54.840 0.112 0.000 0.749 12 L CB -0.730 41.373 42.059 0.072 0.000 0.890 12 L HN 0.420 nan 8.230 nan 0.000 0.431 13 R N -0.301 120.321 120.500 0.204 0.000 2.081 13 R HA -0.119 4.222 4.340 0.000 0.000 0.235 13 R C 2.241 178.536 176.300 -0.009 0.000 1.131 13 R CA 0.874 56.999 56.100 0.041 0.000 0.960 13 R CB -0.513 29.837 30.300 0.082 0.000 0.856 13 R HN 0.186 nan 8.270 nan 0.000 0.436 14 R N 0.647 121.143 120.500 -0.006 0.000 2.193 14 R HA -0.017 4.324 4.340 0.000 0.000 0.229 14 R C 1.431 177.765 176.300 0.057 0.000 1.110 14 R CA 0.894 57.000 56.100 0.009 0.000 0.988 14 R CB -0.119 30.181 30.300 -0.000 0.000 0.871 14 R HN 0.438 nan 8.270 nan 0.000 0.458 15 Q N -0.604 119.231 119.800 0.058 0.000 2.246 15 Q HA 0.152 4.492 4.340 0.000 0.000 0.202 15 Q C 0.708 176.722 176.000 0.023 0.000 0.883 15 Q CA 0.404 56.236 55.803 0.049 0.000 0.952 15 Q CB 0.968 29.726 28.738 0.033 0.000 1.078 15 Q HN 0.528 nan 8.270 nan 0.000 0.493 16 G N 1.105 109.907 108.800 0.004 0.000 2.176 16 G HA2 -0.263 3.697 3.960 0.000 0.000 0.253 16 G HA3 -0.263 3.697 3.960 0.000 0.000 0.253 16 G C 0.250 175.128 174.900 -0.036 0.000 0.979 16 G CA -0.077 45.013 45.100 -0.016 0.000 0.641 16 G HN 0.355 nan 8.290 nan 0.000 0.530 17 I N 1.499 122.047 120.570 -0.038 0.000 2.395 17 I HA 0.452 4.622 4.170 0.000 0.000 0.289 17 I C 0.686 176.595 176.117 -0.346 0.000 1.023 17 I CA 0.162 61.435 61.300 -0.044 0.000 1.350 17 I CB 1.354 39.397 38.000 0.071 0.000 1.409 17 I HN 0.250 nan 8.210 nan 0.000 0.507 18 D N 1.444 121.615 120.400 -0.383 0.000 2.530 18 D HA 0.076 4.716 4.640 0.000 0.000 0.253 18 D C -0.139 175.928 176.300 -0.389 0.000 1.338 18 D CA -0.036 53.463 54.000 -0.835 0.000 0.806 18 D CB 0.467 40.932 40.800 -0.557 0.000 1.160 18 D HN 0.286 nan 8.370 nan 0.000 0.514 19 T N 0.217 114.709 114.554 -0.103 0.000 2.886 19 T HA 0.587 4.937 4.350 0.000 0.000 0.292 19 T C -0.862 173.842 174.700 0.006 0.000 1.012 19 T CA -0.602 61.423 62.100 -0.125 0.000 0.982 19 T CB 2.544 71.172 68.868 -0.399 0.000 1.018 19 T HN -0.115 nan 8.240 nan 0.000 0.451 20 V N 3.922 123.831 119.914 -0.008 0.000 2.378 20 V HA 0.505 4.625 4.120 0.000 0.000 0.288 20 V C -1.007 174.857 176.094 -0.383 0.000 1.016 20 V CA -0.848 61.557 62.300 0.176 0.000 0.840 20 V CB 0.668 32.828 31.823 0.562 0.000 0.994 20 V HN 0.793 nan 8.190 nan 0.000 0.431 21 F N 3.222 123.126 119.950 -0.076 0.000 2.410 21 F HA 0.847 5.374 4.527 0.000 0.000 0.349 21 F C 0.900 176.572 175.800 -0.213 0.000 1.117 21 F CA -0.043 57.809 58.000 -0.246 0.000 1.104 21 F CB 1.857 40.770 39.000 -0.144 0.000 1.122 21 F HN 0.659 nan 8.300 nan 0.000 0.483 22 G N 2.169 110.853 108.800 -0.193 0.000 2.488 22 G HA2 0.269 4.229 3.960 0.000 0.000 0.301 22 G HA3 0.269 4.229 3.960 0.000 0.000 0.301 22 G C -2.237 172.755 174.900 0.153 0.000 1.339 22 G CA -0.919 44.199 45.100 0.029 0.000 0.803 22 G HN 0.531 nan 8.290 nan 0.000 0.482 23 N N 1.129 119.966 118.700 0.229 0.000 2.558 23 N HA 0.375 5.115 4.740 0.000 0.000 0.285 23 N C -2.790 172.842 175.510 0.202 0.000 1.112 23 N CA -1.159 52.016 53.050 0.209 0.000 0.857 23 N CB 3.041 41.607 38.487 0.132 0.000 1.376 23 N HN 0.380 nan 8.380 nan 0.000 0.526 24 P HA 0.236 nan 4.420 nan 0.000 0.269 24 P C -0.158 177.110 177.300 -0.052 0.000 1.217 24 P CA 0.206 63.354 63.100 0.080 0.000 0.783 24 P CB 1.227 32.920 31.700 -0.012 0.000 0.898 25 G N -0.602 108.135 108.800 -0.105 0.000 2.660 25 G HA2 0.362 4.322 3.960 0.000 0.000 0.290 25 G HA3 0.362 4.322 3.960 0.000 0.000 0.290 25 G C 0.743 175.535 174.900 -0.179 0.000 1.432 25 G CA 0.048 44.856 45.100 -0.486 0.000 0.807 25 G HN 0.428 nan 8.290 nan 0.000 0.485 26 S N 0.190 115.776 115.700 -0.189 0.000 2.370 26 S HA -0.171 4.299 4.470 0.000 0.000 0.226 26 S C 1.735 176.293 174.600 -0.070 0.000 1.033 26 S CA 1.734 59.875 58.200 -0.099 0.000 1.011 26 S CB -0.307 62.832 63.200 -0.103 0.000 0.852 26 S HN 0.440 nan 8.310 nan 0.000 0.457 27 N N 1.961 120.758 118.700 0.162 0.000 2.443 27 N HA -0.023 4.717 4.740 0.000 0.000 0.184 27 N C 1.051 176.741 175.510 0.301 0.000 1.037 27 N CA 1.250 54.442 53.050 0.236 0.000 0.896 27 N CB -0.319 38.369 38.487 0.335 0.000 0.959 27 N HN 0.634 nan 8.380 nan 0.000 0.442 28 E N -0.569 119.784 120.200 0.254 0.000 2.489 28 E HA 0.218 4.568 4.350 0.000 0.000 0.204 28 E C 1.737 178.456 176.600 0.199 0.000 1.006 28 E CA -0.155 56.417 56.400 0.287 0.000 0.936 28 E CB 0.078 29.959 29.700 0.300 0.000 1.002 28 E HN 0.215 nan 8.360 nan 0.000 0.488 29 L N 1.012 122.283 121.223 0.081 0.000 2.042 29 L HA -0.128 4.212 4.340 0.000 0.000 0.210 29 L C -0.657 176.240 176.870 0.045 0.000 1.076 29 L CA 1.485 56.332 54.840 0.013 0.000 0.749 29 L CB -1.355 40.672 42.059 -0.053 0.000 0.893 29 L HN 0.132 nan 8.230 nan 0.000 0.432 30 P HA -0.205 nan 4.420 nan 0.000 0.221 30 P C 1.304 178.674 177.300 0.118 0.000 1.145 30 P CA 1.318 64.541 63.100 0.205 0.000 0.795 30 P CB 0.009 31.988 31.700 0.464 0.000 0.775 31 F N -0.406 119.380 119.950 -0.273 0.000 2.317 31 F HA 0.087 4.614 4.527 0.000 0.000 0.293 31 F C 1.686 177.446 175.800 -0.067 0.000 1.085 31 F CA 0.988 58.591 58.000 -0.661 0.000 1.390 31 F CB -0.613 37.743 39.000 -1.073 0.000 1.077 31 F HN -0.289 nan 8.300 nan 0.000 0.517 32 L N 1.069 122.188 121.223 -0.173 0.000 2.341 32 L HA -0.026 4.315 4.340 0.000 0.000 0.214 32 L C 1.064 177.880 176.870 -0.091 0.000 1.115 32 L CA 0.197 54.933 54.840 -0.173 0.000 0.820 32 L CB -0.809 41.163 42.059 -0.145 0.000 0.944 32 L HN 0.036 nan 8.230 nan 0.000 0.452 33 K N 0.283 120.640 120.400 -0.072 0.000 2.414 33 K HA -0.069 4.251 4.320 0.000 0.000 0.272 33 K C -0.316 176.219 176.600 -0.108 0.000 0.993 33 K CA -0.106 56.126 56.287 -0.092 0.000 0.964 33 K CB 0.333 32.772 32.500 -0.102 0.000 0.925 33 K HN 0.006 nan 8.250 nan 0.000 0.487 34 D N 0.599 120.929 120.400 -0.115 0.000 2.723 34 D HA -0.213 4.427 4.640 0.000 0.000 0.236 34 D C -0.708 175.491 176.300 -0.168 0.000 1.138 34 D CA 0.764 54.680 54.000 -0.140 0.000 0.676 34 D CB -1.327 39.342 40.800 -0.218 0.000 1.069 34 D HN 0.507 nan 8.370 nan 0.000 0.430 35 F N 1.135 120.896 119.950 -0.315 0.000 2.569 35 F HA 0.141 4.668 4.527 0.000 0.000 0.395 35 F C -1.374 174.195 175.800 -0.385 0.000 1.028 35 F CA -1.277 56.465 58.000 -0.430 0.000 1.158 35 F CB 0.299 39.135 39.000 -0.275 0.000 1.023 35 F HN -0.134 nan 8.300 nan 0.000 0.547 36 P HA -0.048 nan 4.420 nan 0.000 0.265 36 P C 0.293 177.412 177.300 -0.300 0.000 1.187 36 P CA 0.286 63.038 63.100 -0.579 0.000 0.766 36 P CB 0.480 31.755 31.700 -0.708 0.000 0.820 37 E N 1.499 121.622 120.200 -0.128 0.000 2.338 37 E HA -0.147 4.203 4.350 0.000 0.000 0.197 37 E C 0.741 177.335 176.600 -0.010 0.000 1.007 37 E CA 0.881 57.258 56.400 -0.038 0.000 0.849 37 E CB -0.080 29.602 29.700 -0.029 0.000 0.774 37 E HN 0.619 nan 8.360 nan 0.000 0.506 38 D N -0.259 120.145 120.400 0.007 0.000 2.328 38 D HA -0.028 4.612 4.640 0.000 0.000 0.221 38 D C 0.032 176.273 176.300 -0.098 0.000 1.072 38 D CA 0.002 53.988 54.000 -0.024 0.000 0.850 38 D CB -0.142 40.635 40.800 -0.038 0.000 0.922 38 D HN -0.040 nan 8.370 nan 0.000 0.516 39 F N 1.164 120.969 119.950 -0.242 0.000 2.556 39 F HA 0.479 5.006 4.527 0.000 0.000 0.327 39 F C 0.627 176.432 175.800 0.008 0.000 1.059 39 F CA -1.171 56.684 58.000 -0.241 0.000 0.953 39 F CB 1.735 40.347 39.000 -0.646 0.000 1.227 39 F HN -0.217 nan 8.300 nan 0.000 0.478 40 R N 1.094 121.780 120.500 0.310 0.000 2.686 40 R HA 0.579 4.919 4.340 0.000 0.000 0.286 40 R C -2.219 174.280 176.300 0.332 0.000 0.969 40 R CA -0.885 55.403 56.100 0.314 0.000 0.898 40 R CB 1.768 32.089 30.300 0.035 0.000 1.183 40 R HN 0.683 nan 8.270 nan 0.000 0.456 41 Y N 3.294 123.626 120.300 0.054 0.000 2.341 41 Y HA 0.456 5.006 4.550 0.000 0.000 0.337 41 Y C -0.841 174.898 175.900 -0.269 0.000 1.014 41 Y CA -1.209 56.788 58.100 -0.171 0.000 1.111 41 Y CB 1.434 39.621 38.460 -0.455 0.000 1.194 41 Y HN 0.525 nan 8.280 nan 0.000 0.462 42 I N 8.102 128.226 120.570 -0.744 0.000 2.354 42 I HA 0.197 4.367 4.170 0.000 0.000 0.286 42 I C -0.855 175.048 176.117 -0.356 0.000 1.007 42 I CA -0.780 60.114 61.300 -0.676 0.000 1.167 42 I CB 0.994 38.525 38.000 -0.782 0.000 1.320 42 I HN 0.510 nan 8.210 nan 0.000 0.458 43 L N 6.795 128.132 121.223 0.189 0.000 2.312 43 L HA 0.809 5.149 4.340 0.000 0.000 0.281 43 L C -0.095 177.022 176.870 0.412 0.000 1.070 43 L CA 0.125 55.195 54.840 0.382 0.000 0.805 43 L CB 1.365 43.794 42.059 0.617 0.000 1.174 43 L HN 0.692 nan 8.230 nan 0.000 0.434 44 A N 4.863 127.848 122.820 0.275 0.000 2.401 44 A HA 0.542 4.862 4.320 0.000 0.000 0.310 44 A C 0.404 178.060 177.584 0.120 0.000 1.075 44 A CA -0.638 51.535 52.037 0.228 0.000 0.746 44 A CB 1.080 20.168 19.000 0.146 0.000 1.277 44 A HN 0.876 nan 8.150 nan 0.000 0.425 45 L N 0.030 121.268 121.223 0.024 0.000 2.465 45 L HA 0.054 4.394 4.340 0.000 0.000 0.224 45 L C 0.960 177.803 176.870 -0.045 0.000 1.145 45 L CA 0.971 55.748 54.840 -0.106 0.000 0.834 45 L CB -0.038 41.868 42.059 -0.255 0.000 0.944 45 L HN 0.708 nan 8.230 nan 0.000 0.451 46 Q N -0.597 119.204 119.800 0.001 0.000 2.353 46 Q HA 0.113 4.453 4.340 0.000 0.000 0.275 46 Q C -0.169 175.859 176.000 0.047 0.000 1.029 46 Q CA -0.303 55.513 55.803 0.022 0.000 0.848 46 Q CB 2.337 31.084 28.738 0.016 0.000 1.390 46 Q HN -0.031 nan 8.270 nan 0.000 0.401 47 E N 1.377 121.612 120.200 0.058 0.000 2.130 47 E HA -0.204 4.146 4.350 0.000 0.000 0.196 47 E C 1.525 178.159 176.600 0.057 0.000 0.998 47 E CA 1.970 58.410 56.400 0.067 0.000 0.806 47 E CB -0.020 29.724 29.700 0.073 0.000 0.738 47 E HN 0.659 nan 8.360 nan 0.000 0.459 48 A N -0.026 122.827 122.820 0.055 0.000 1.972 48 A HA -0.196 4.124 4.320 0.000 0.000 0.219 48 A C 2.280 179.893 177.584 0.050 0.000 1.169 48 A CA 1.396 53.468 52.037 0.058 0.000 0.635 48 A CB -0.714 18.330 19.000 0.072 0.000 0.810 48 A HN 0.424 nan 8.150 nan 0.000 0.446 49 C N -1.623 117.703 119.300 0.044 0.000 2.486 49 C HA 0.036 4.497 4.460 0.000 0.000 0.279 49 C C 2.646 177.654 174.990 0.030 0.000 1.302 49 C CA 0.569 59.606 59.018 0.032 0.000 1.720 49 C CB -1.156 26.603 27.740 0.032 0.000 2.030 49 C HN 0.436 nan 8.230 nan 0.000 0.490 50 V N 1.265 121.209 119.914 0.050 0.000 2.233 50 V HA -0.229 3.891 4.120 0.000 0.000 0.247 50 V C 2.483 178.580 176.094 0.004 0.000 1.050 50 V CA 2.375 64.711 62.300 0.061 0.000 1.010 50 V CB -0.835 31.038 31.823 0.083 0.000 0.637 50 V HN 0.444 nan 8.190 nan 0.000 0.444 51 V N 0.752 120.672 119.914 0.009 0.000 2.407 51 V HA -0.163 3.957 4.120 0.000 0.000 0.248 51 V C 2.606 178.675 176.094 -0.042 0.000 1.055 51 V CA 2.041 64.332 62.300 -0.015 0.000 1.049 51 V CB -1.422 30.417 31.823 0.027 0.000 0.662 51 V HN 0.634 nan 8.190 nan 0.000 0.455 52 G N 0.065 108.853 108.800 -0.019 0.000 2.446 52 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 52 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 52 G C 1.568 176.368 174.900 -0.165 0.000 1.168 52 G CA 1.108 46.179 45.100 -0.048 0.000 0.771 52 G HN 0.485 nan 8.290 nan 0.000 0.551 53 I N 1.365 121.838 120.570 -0.163 0.000 2.179 53 I HA -0.175 3.995 4.170 0.000 0.000 0.242 53 I C 3.326 179.168 176.117 -0.458 0.000 1.088 53 I CA 1.031 62.202 61.300 -0.215 0.000 1.357 53 I CB -0.315 37.638 38.000 -0.079 0.000 1.051 53 I HN 0.246 nan 8.210 nan 0.000 0.409 54 A N 0.277 122.674 122.820 -0.705 0.000 1.940 54 A HA -0.295 4.025 4.320 0.000 0.000 0.219 54 A C 2.076 179.415 177.584 -0.408 0.000 1.176 54 A CA 2.198 53.594 52.037 -1.068 0.000 0.631 54 A CB -0.659 17.892 19.000 -0.748 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.446 55 D N -0.338 119.940 120.400 -0.203 0.000 2.092 55 D HA -0.099 4.541 4.640 0.000 0.000 0.193 55 D C 2.117 178.381 176.300 -0.060 0.000 0.994 55 D CA 1.754 55.732 54.000 -0.037 0.000 0.828 55 D CB -0.652 40.223 40.800 0.124 0.000 0.963 55 D HN 0.310 nan 8.370 nan 0.000 0.450 56 G N -0.884 107.821 108.800 -0.158 0.000 2.440 56 G HA2 -0.324 3.636 3.960 0.000 0.000 0.218 56 G HA3 -0.324 3.636 3.960 0.000 0.000 0.218 56 G C 1.700 176.483 174.900 -0.196 0.000 1.154 56 G CA 0.992 45.930 45.100 -0.270 0.000 0.767 56 G HN 0.370 nan 8.290 nan 0.000 0.552 57 Y N 1.983 122.125 120.300 -0.263 0.000 2.128 57 Y HA -0.048 4.502 4.550 0.000 0.000 0.284 57 Y C 2.949 178.792 175.900 -0.095 0.000 1.154 57 Y CA 1.538 59.541 58.100 -0.160 0.000 1.149 57 Y CB -0.403 37.950 38.460 -0.179 0.000 0.976 57 Y HN 0.254 nan 8.280 nan 0.000 0.505 58 A N 0.017 122.825 122.820 -0.019 0.000 1.877 58 A HA -0.230 4.090 4.320 0.000 0.000 0.216 58 A C 2.123 179.676 177.584 -0.052 0.000 1.186 58 A CA 1.875 53.897 52.037 -0.025 0.000 0.620 58 A CB -0.764 18.257 19.000 0.035 0.000 0.822 58 A HN 0.649 nan 8.150 nan 0.000 0.443 59 Q N -0.733 119.041 119.800 -0.044 0.000 2.084 59 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 59 Q C 2.411 178.431 176.000 0.033 0.000 0.978 59 Q CA 1.451 57.267 55.803 0.022 0.000 0.844 59 Q CB -0.342 28.422 28.738 0.043 0.000 0.898 59 Q HN 0.692 nan 8.270 nan 0.000 0.426 60 A N 1.065 123.828 122.820 -0.094 0.000 1.898 60 A HA -0.130 4.190 4.320 0.000 0.000 0.214 60 A C 2.240 179.774 177.584 -0.084 0.000 1.183 60 A CA 1.499 53.516 52.037 -0.033 0.000 0.622 60 A CB -0.467 18.468 19.000 -0.109 0.000 0.824 60 A HN 0.425 nan 8.150 nan 0.000 0.444 61 S N -1.252 114.317 115.700 -0.218 0.000 2.481 61 S HA -0.049 4.421 4.470 0.000 0.000 0.231 61 S C 0.966 175.497 174.600 -0.115 0.000 0.996 61 S CA 0.700 58.755 58.200 -0.241 0.000 0.942 61 S CB -0.365 62.537 63.200 -0.496 0.000 0.768 61 S HN 0.523 nan 8.310 nan 0.000 0.520 62 R N 0.384 120.846 120.500 -0.063 0.000 3.651 62 R HA -0.114 4.226 4.340 0.000 0.000 0.292 62 R C -0.914 175.379 176.300 -0.011 0.000 1.161 62 R CA 0.977 57.070 56.100 -0.011 0.000 0.787 62 R CB -1.987 28.316 30.300 0.005 0.000 1.249 62 R HN 0.565 nan 8.270 nan 0.000 0.476 63 K N -0.087 120.301 120.400 -0.020 0.000 2.508 63 K HA 0.429 4.749 4.320 0.000 0.000 0.260 63 K C -2.568 174.062 176.600 0.049 0.000 0.949 63 K CA -2.005 54.289 56.287 0.011 0.000 0.834 63 K CB 2.627 35.130 32.500 0.005 0.000 1.365 63 K HN -0.219 nan 8.250 nan 0.000 0.437 64 P HA 0.043 nan 4.420 nan 0.000 0.269 64 P C -1.283 176.139 177.300 0.204 0.000 1.215 64 P CA -0.215 62.956 63.100 0.118 0.000 0.780 64 P CB 0.816 32.578 31.700 0.104 0.000 0.898 65 A N 2.744 125.700 122.820 0.226 0.000 2.342 65 A HA 0.581 4.901 4.320 0.000 0.000 0.323 65 A C -1.151 176.641 177.584 0.347 0.000 1.125 65 A CA -0.652 51.591 52.037 0.343 0.000 0.785 65 A CB 0.572 19.706 19.000 0.223 0.000 1.221 65 A HN 0.500 nan 8.150 nan 0.000 0.463 66 F N 2.596 122.735 119.950 0.315 0.000 2.408 66 F HA 0.719 5.246 4.527 0.000 0.000 0.344 66 F C -0.441 175.544 175.800 0.308 0.000 1.112 66 F CA -0.521 57.639 58.000 0.267 0.000 1.096 66 F CB 0.731 39.886 39.000 0.258 0.000 1.129 66 F HN 0.430 nan 8.300 nan 0.000 0.486 67 I N 4.698 125.055 120.570 -0.355 0.000 2.689 67 I HA 0.316 4.486 4.170 0.000 0.000 0.299 67 I C -1.183 174.749 176.117 -0.308 0.000 1.059 67 I CA -0.983 60.234 61.300 -0.139 0.000 1.055 67 I CB 2.263 40.233 38.000 -0.051 0.000 1.243 67 I HN 0.528 nan 8.210 nan 0.000 0.425 68 N N 5.916 124.622 118.700 0.009 0.000 2.504 68 N HA 0.584 5.324 4.740 0.000 0.000 0.280 68 N C -1.628 173.970 175.510 0.147 0.000 1.052 68 N CA -0.325 52.780 53.050 0.091 0.000 0.887 68 N CB 1.064 39.778 38.487 0.378 0.000 1.323 68 N HN 0.471 nan 8.380 nan 0.000 0.509 69 L N 1.097 122.387 121.223 0.112 0.000 2.304 69 L HA 0.486 4.826 4.340 0.000 0.000 0.268 69 L C -0.323 176.665 176.870 0.197 0.000 1.010 69 L CA -1.232 53.702 54.840 0.157 0.000 0.813 69 L CB 1.316 43.458 42.059 0.137 0.000 1.315 69 L HN 0.573 nan 8.230 nan 0.000 0.445 70 H N 0.485 119.618 119.070 0.105 0.000 2.690 70 H HA 0.312 4.869 4.556 0.000 0.000 0.289 70 H C 0.300 175.686 175.328 0.096 0.000 1.089 70 H CA 0.645 56.752 56.048 0.099 0.000 1.299 70 H CB 0.703 30.516 29.762 0.084 0.000 1.405 70 H HN 0.694 nan 8.280 nan 0.000 0.463 71 S N 2.938 118.474 115.700 -0.273 0.000 2.865 71 S HA -0.379 4.091 4.470 0.000 0.000 0.630 71 S C 1.792 176.351 174.600 -0.067 0.000 3.160 71 S CA 1.644 59.713 58.200 -0.219 0.000 3.629 71 S CB -1.266 61.682 63.200 -0.420 0.000 0.312 71 S HN 1.098 nan 8.310 nan 0.000 1.632 72 A N 0.535 123.319 122.820 -0.061 0.000 1.858 72 A HA 0.242 4.562 4.320 0.000 0.000 0.216 72 A C 2.693 180.271 177.584 -0.009 0.000 1.190 72 A CA 2.871 54.898 52.037 -0.017 0.000 0.617 72 A CB -1.651 17.335 19.000 -0.023 0.000 0.827 72 A HN 1.780 nan 8.150 nan 0.000 0.443 73 A N -0.510 122.306 122.820 -0.007 0.000 1.892 73 A HA 0.034 4.354 4.320 0.000 0.000 0.218 73 A C 2.433 180.048 177.584 0.052 0.000 1.188 73 A CA 2.221 54.276 52.037 0.029 0.000 0.631 73 A CB -1.480 17.555 19.000 0.059 0.000 0.822 73 A HN 0.784 nan 8.150 nan 0.000 0.447 74 G N -1.411 107.434 108.800 0.074 0.000 2.421 74 G HA2 -0.131 3.829 3.960 0.000 0.000 0.216 74 G HA3 -0.131 3.829 3.960 0.000 0.000 0.216 74 G C 1.588 176.536 174.900 0.081 0.000 1.171 74 G CA 1.632 46.795 45.100 0.106 0.000 0.775 74 G HN 0.435 nan 8.290 nan 0.000 0.543 75 T N 1.082 115.681 114.554 0.075 0.000 2.708 75 T HA -0.057 4.293 4.350 0.000 0.000 0.266 75 T C 2.505 177.202 174.700 -0.005 0.000 1.037 75 T CA 1.516 63.651 62.100 0.058 0.000 1.146 75 T CB -0.693 68.209 68.868 0.056 0.000 0.865 75 T HN 0.357 nan 8.240 nan 0.000 0.435 76 G N 2.330 111.123 108.800 -0.011 0.000 2.476 76 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 76 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 76 G C 1.592 176.492 174.900 0.000 0.000 1.164 76 G CA 0.824 45.912 45.100 -0.021 0.000 0.768 76 G HN 0.405 nan 8.290 nan 0.000 0.560 77 N N 1.032 119.747 118.700 0.023 0.000 2.443 77 N HA -0.005 4.735 4.740 0.000 0.000 0.184 77 N C 1.921 177.452 175.510 0.036 0.000 1.037 77 N CA 0.981 54.052 53.050 0.035 0.000 0.896 77 N CB -0.128 38.388 38.487 0.048 0.000 0.959 77 N HN 0.370 nan 8.380 nan 0.000 0.442 78 A N -0.310 122.527 122.820 0.029 0.000 2.348 78 A HA 0.185 4.505 4.320 0.000 0.000 0.224 78 A C 1.867 179.457 177.584 0.010 0.000 1.227 78 A CA -0.127 51.928 52.037 0.030 0.000 0.885 78 A CB 0.033 19.058 19.000 0.042 0.000 0.933 78 A HN -0.005 nan 8.150 nan 0.000 0.506 79 M N -0.163 119.429 119.600 -0.013 0.000 2.108 79 M HA -0.125 4.355 4.480 0.000 0.000 0.261 79 M C 2.206 178.491 176.300 -0.024 0.000 1.066 79 M CA 1.700 56.976 55.300 -0.039 0.000 1.107 79 M CB -1.674 30.892 32.600 -0.057 0.000 1.356 79 M HN 0.474 nan 8.290 nan 0.000 0.406 80 G N -0.094 108.703 108.800 -0.005 0.000 2.418 80 G HA2 -0.082 3.878 3.960 0.000 0.000 0.217 80 G HA3 -0.082 3.878 3.960 0.000 0.000 0.217 80 G C 1.679 176.580 174.900 0.003 0.000 1.158 80 G CA 1.267 46.364 45.100 -0.005 0.000 0.771 80 G HN 0.550 nan 8.290 nan 0.000 0.545 81 A N 0.547 123.384 122.820 0.029 0.000 1.933 81 A HA 0.094 4.414 4.320 0.000 0.000 0.218 81 A C 2.410 180.022 177.584 0.046 0.000 1.175 81 A CA 1.216 53.286 52.037 0.056 0.000 0.628 81 A CB -0.387 18.655 19.000 0.070 0.000 0.814 81 A HN 0.359 nan 8.150 nan 0.000 0.444 82 L N 0.494 121.737 121.223 0.033 0.000 2.201 82 L HA -0.167 4.173 4.340 0.000 0.000 0.212 82 L C 2.989 179.895 176.870 0.059 0.000 1.105 82 L CA 1.399 56.269 54.840 0.049 0.000 0.775 82 L CB -0.479 41.594 42.059 0.023 0.000 0.913 82 L HN 0.659 nan 8.230 nan 0.000 0.440 83 S N -0.348 115.358 115.700 0.010 0.000 2.382 83 S HA -0.168 4.302 4.470 0.000 0.000 0.228 83 S C 1.764 176.382 174.600 0.030 0.000 1.027 83 S CA 1.182 59.383 58.200 0.001 0.000 0.991 83 S CB -0.353 62.818 63.200 -0.048 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.520 121.203 118.700 -0.028 0.000 2.106 84 N HA 0.091 4.831 4.740 0.000 0.000 0.188 84 N C 2.123 177.593 175.510 -0.067 0.000 1.029 84 N CA 1.465 54.445 53.050 -0.117 0.000 0.848 84 N CB -1.012 37.323 38.487 -0.254 0.000 1.007 84 N HN 0.596 nan 8.380 nan 0.000 0.423 85 A N 1.589 124.415 122.820 0.010 0.000 1.948 85 A HA -0.188 4.132 4.320 0.000 0.000 0.220 85 A C 2.042 179.673 177.584 0.078 0.000 1.177 85 A CA 1.252 53.318 52.037 0.048 0.000 0.636 85 A CB -1.129 17.924 19.000 0.090 0.000 0.815 85 A HN 0.617 nan 8.150 nan 0.000 0.449 86 W N 1.046 122.315 121.300 -0.052 0.000 2.358 86 W HA -0.183 4.477 4.660 0.000 0.000 0.303 86 W C 1.359 177.802 176.519 -0.127 0.000 1.208 86 W CA 1.965 59.282 57.345 -0.047 0.000 1.274 86 W CB -0.486 28.951 29.460 -0.039 0.000 1.138 86 W HN 0.415 nan 8.180 nan 0.000 0.515 87 N N 0.310 119.018 118.700 0.013 0.000 2.396 87 N HA -0.142 4.598 4.740 0.000 0.000 0.180 87 N C 1.766 177.083 175.510 -0.323 0.000 1.028 87 N CA 2.009 54.966 53.050 -0.156 0.000 0.893 87 N CB -0.427 38.037 38.487 -0.039 0.000 0.967 87 N HN 0.126 nan 8.380 nan 0.000 0.440 88 S N -1.550 114.014 115.700 -0.226 0.000 2.556 88 S HA 0.099 4.569 4.470 0.000 0.000 0.216 88 S C -0.120 174.430 174.600 -0.084 0.000 0.970 88 S CA -0.311 57.799 58.200 -0.149 0.000 0.912 88 S CB -0.542 62.622 63.200 -0.061 0.000 0.790 88 S HN 0.396 nan 8.310 nan 0.000 0.504 89 H N 0.821 119.819 119.070 -0.121 0.000 2.791 89 H HA -0.131 4.425 4.556 0.000 0.000 0.302 89 H C -0.647 174.647 175.328 -0.057 0.000 1.198 89 H CA 0.400 56.364 56.048 -0.140 0.000 1.145 89 H CB -2.151 27.539 29.762 -0.121 0.000 1.385 89 H HN 0.373 nan 8.280 nan 0.000 0.409 90 S N 2.503 118.242 115.700 0.064 0.000 2.481 90 S HA 0.116 4.586 4.470 0.000 0.000 0.276 90 S C -1.817 172.825 174.600 0.070 0.000 1.247 90 S CA -0.980 57.261 58.200 0.069 0.000 1.053 90 S CB 0.909 64.147 63.200 0.064 0.000 0.925 90 S HN 0.209 nan 8.310 nan 0.000 0.491 91 P HA 0.194 nan 4.420 nan 0.000 0.260 91 P C -1.057 176.293 177.300 0.084 0.000 1.651 91 P CA 0.001 63.142 63.100 0.069 0.000 1.139 91 P CB -0.177 31.557 31.700 0.056 0.000 1.756 92 L N 4.567 125.845 121.223 0.091 0.000 2.313 92 L HA 0.505 4.845 4.340 0.000 0.000 0.283 92 L C 0.692 177.617 176.870 0.092 0.000 1.013 92 L CA -0.970 53.922 54.840 0.086 0.000 0.816 92 L CB 1.954 44.055 42.059 0.070 0.000 1.236 92 L HN 0.159 nan 8.230 nan 0.000 0.419 93 I N 4.278 124.890 120.570 0.069 0.000 2.310 93 I HA 0.186 4.356 4.170 0.000 0.000 0.287 93 I C -0.277 175.753 176.117 -0.144 0.000 1.073 93 I CA -0.514 60.801 61.300 0.025 0.000 1.216 93 I CB 1.171 39.230 38.000 0.098 0.000 1.415 93 I HN 0.251 nan 8.210 nan 0.000 0.480 94 V N 5.279 125.167 119.914 -0.043 0.000 2.385 94 V HA 0.264 4.384 4.120 0.000 0.000 0.269 94 V C 0.611 176.597 176.094 -0.180 0.000 1.043 94 V CA -0.340 61.923 62.300 -0.062 0.000 0.906 94 V CB 1.041 32.959 31.823 0.159 0.000 0.995 94 V HN 0.791 nan 8.190 nan 0.000 0.467 95 T N 2.328 116.688 114.554 -0.323 0.000 2.829 95 T HA 0.860 5.210 4.350 0.000 0.000 0.280 95 T C -0.421 174.143 174.700 -0.227 0.000 0.999 95 T CA -0.540 61.356 62.100 -0.339 0.000 0.983 95 T CB 1.938 70.601 68.868 -0.341 0.000 0.968 95 T HN 0.944 nan 8.240 nan 0.000 0.446 96 A N 2.101 124.761 122.820 -0.266 0.000 2.393 96 A HA 0.867 5.187 4.320 0.000 0.000 0.306 96 A C 0.401 177.966 177.584 -0.033 0.000 1.050 96 A CA -0.737 51.247 52.037 -0.089 0.000 0.724 96 A CB 1.229 20.220 19.000 -0.014 0.000 1.248 96 A HN 1.332 nan 8.150 nan 0.000 0.424 97 G N 0.640 109.488 108.800 0.081 0.000 2.378 97 G HA2 0.461 4.421 3.960 0.000 0.000 0.255 97 G HA3 0.461 4.421 3.960 0.000 0.000 0.255 97 G C -0.121 174.836 174.900 0.095 0.000 1.270 97 G CA 0.030 45.229 45.100 0.164 0.000 0.876 97 G HN 0.840 nan 8.290 nan 0.000 0.521 98 Q N 0.631 120.497 119.800 0.110 0.000 2.241 98 Q HA 0.340 4.680 4.340 0.000 0.000 0.262 98 Q C 0.331 176.415 176.000 0.139 0.000 1.014 98 Q CA -0.642 55.195 55.803 0.056 0.000 0.885 98 Q CB 1.020 29.745 28.738 -0.022 0.000 1.311 98 Q HN 0.504 nan 8.270 nan 0.000 0.461 99 Q N 0.238 120.088 119.800 0.084 0.000 2.535 99 Q HA 0.099 4.439 4.340 0.000 0.000 0.228 99 Q C -0.565 175.346 176.000 -0.148 0.000 1.062 99 Q CA 0.215 56.082 55.803 0.106 0.000 0.967 99 Q CB 0.792 29.568 28.738 0.063 0.000 1.273 99 Q HN 0.831 nan 8.270 nan 0.000 0.554 100 T N 0.683 114.963 114.554 -0.458 0.000 2.916 100 T HA 0.040 4.390 4.350 0.000 0.000 0.303 100 T C 1.281 175.813 174.700 -0.280 0.000 1.025 100 T CA 0.056 61.759 62.100 -0.662 0.000 1.142 100 T CB 0.332 68.726 68.868 -0.790 0.000 0.947 100 T HN 0.508 nan 8.240 nan 0.000 0.544 101 R N 3.264 123.626 120.500 -0.229 0.000 2.154 101 R HA -0.172 4.168 4.340 0.000 0.000 0.248 101 R C 2.493 178.730 176.300 -0.104 0.000 1.155 101 R CA 1.568 57.583 56.100 -0.141 0.000 0.979 101 R CB -0.533 29.693 30.300 -0.123 0.000 0.869 101 R HN 0.759 nan 8.270 nan 0.000 0.452 102 A N 0.120 122.876 122.820 -0.107 0.000 2.121 102 A HA -0.043 4.277 4.320 0.000 0.000 0.218 102 A C 1.719 179.275 177.584 -0.047 0.000 1.154 102 A CA 1.014 53.012 52.037 -0.065 0.000 0.679 102 A CB -0.016 18.951 19.000 -0.054 0.000 0.795 102 A HN 0.198 nan 8.150 nan 0.000 0.458 103 M N -1.271 118.296 119.600 -0.054 0.000 2.347 103 M HA 0.314 4.794 4.480 0.000 0.000 0.324 103 M C 0.903 177.190 176.300 -0.022 0.000 1.028 103 M CA 0.119 55.405 55.300 -0.024 0.000 0.988 103 M CB 0.257 32.858 32.600 0.003 0.000 1.528 103 M HN 0.302 nan 8.290 nan 0.000 0.550 104 I N 0.216 120.762 120.570 -0.040 0.000 2.353 104 I HA -0.110 4.060 4.170 0.000 0.000 0.248 104 I C 2.458 178.558 176.117 -0.028 0.000 1.119 104 I CA 1.292 62.571 61.300 -0.036 0.000 1.417 104 I CB -0.498 37.469 38.000 -0.055 0.000 1.078 104 I HN 0.374 nan 8.210 nan 0.000 0.421 105 G N 1.300 110.083 108.800 -0.028 0.000 2.446 105 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 105 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 105 G C 1.628 176.520 174.900 -0.014 0.000 1.168 105 G CA 1.379 46.465 45.100 -0.022 0.000 0.771 105 G HN 0.384 nan 8.290 nan 0.000 0.551 106 V N -2.211 117.697 119.914 -0.009 0.000 3.380 106 V HA 0.232 4.352 4.120 0.000 0.000 0.268 106 V C 0.703 176.797 176.094 -0.001 0.000 1.168 106 V CA 0.991 63.289 62.300 -0.003 0.000 1.156 106 V CB -0.861 30.963 31.823 0.001 0.000 0.785 106 V HN 0.523 nan 8.190 nan 0.000 0.487 107 E N -0.031 120.167 120.200 -0.003 0.000 2.260 107 E HA -0.170 4.180 4.350 0.000 0.000 0.204 107 E C 0.537 177.143 176.600 0.010 0.000 1.319 107 E CA 0.183 56.583 56.400 0.000 0.000 0.679 107 E CB -1.365 28.334 29.700 -0.003 0.000 1.158 107 E HN 1.002 nan 8.360 nan 0.000 0.376 108 A N 0.985 123.816 122.820 0.018 0.000 2.406 108 A HA 0.376 4.696 4.320 0.000 0.000 0.243 108 A C 0.431 178.038 177.584 0.039 0.000 1.082 108 A CA -0.318 51.738 52.037 0.032 0.000 0.786 108 A CB 0.433 19.460 19.000 0.045 0.000 1.029 108 A HN 0.380 nan 8.150 nan 0.000 0.495 109 L N 0.791 122.041 121.223 0.045 0.000 2.573 109 L HA 0.056 4.396 4.340 0.000 0.000 0.290 109 L C 0.845 177.755 176.870 0.067 0.000 1.247 109 L CA 1.425 56.295 54.840 0.050 0.000 0.876 109 L CB -0.329 41.763 42.059 0.055 0.000 1.123 109 L HN 0.743 nan 8.230 nan 0.000 0.505 110 L N 1.474 122.729 121.223 0.054 0.000 4.892 110 L HA -0.214 4.126 4.340 0.000 0.000 0.403 110 L C 0.274 177.153 176.870 0.014 0.000 0.913 110 L CA 0.459 55.323 54.840 0.039 0.000 1.653 110 L CB -2.444 39.681 42.059 0.110 0.000 1.780 110 L HN 0.767 nan 8.230 nan 0.000 0.597 111 T N 1.029 115.594 114.554 0.019 0.000 2.814 111 T HA 0.156 4.506 4.350 0.000 0.000 0.297 111 T C 0.619 175.312 174.700 -0.012 0.000 0.956 111 T CA -0.030 62.074 62.100 0.006 0.000 1.123 111 T CB 1.057 69.926 68.868 0.003 0.000 0.902 111 T HN 0.131 nan 8.240 nan 0.000 0.528 112 N N 4.022 122.711 118.700 -0.018 0.000 2.482 112 N HA 0.109 4.849 4.740 0.000 0.000 0.242 112 N C -0.451 175.047 175.510 -0.019 0.000 1.100 112 N CA -0.239 52.801 53.050 -0.016 0.000 0.946 112 N CB 0.181 38.668 38.487 0.000 0.000 1.227 112 N HN 0.285 nan 8.380 nan 0.000 0.508 113 V N 3.300 123.201 119.914 -0.021 0.000 2.585 113 V HA -0.013 4.107 4.120 0.000 0.000 0.296 113 V C 0.937 177.012 176.094 -0.032 0.000 1.035 113 V CA -0.115 62.169 62.300 -0.027 0.000 1.084 113 V CB 0.586 32.395 31.823 -0.024 0.000 0.953 113 V HN 0.732 nan 8.190 nan 0.000 0.483 114 D N 3.335 123.712 120.400 -0.039 0.000 2.737 114 D HA -0.270 4.370 4.640 0.000 0.000 0.233 114 D C 1.357 177.632 176.300 -0.043 0.000 1.155 114 D CA 1.010 54.982 54.000 -0.045 0.000 0.667 114 D CB -0.595 40.179 40.800 -0.043 0.000 1.060 114 D HN 0.839 nan 8.370 nan 0.000 0.427 115 A N 0.594 123.397 122.820 -0.028 0.000 1.893 115 A HA -0.175 4.145 4.320 0.000 0.000 0.222 115 A C 2.575 180.187 177.584 0.046 0.000 1.309 115 A CA 3.564 55.616 52.037 0.025 0.000 0.681 115 A CB -1.306 17.717 19.000 0.038 0.000 0.842 115 A HN 1.051 nan 8.150 nan 0.000 0.468 116 A N -0.845 121.979 122.820 0.006 0.000 2.032 116 A HA -0.226 4.094 4.320 0.000 0.000 0.221 116 A C 1.845 179.386 177.584 -0.071 0.000 1.165 116 A CA 1.959 53.992 52.037 -0.007 0.000 0.645 116 A CB -0.658 18.291 19.000 -0.086 0.000 0.807 116 A HN 0.618 nan 8.150 nan 0.000 0.453 117 N N -0.624 118.028 118.700 -0.079 0.000 2.457 117 N HA -0.050 4.691 4.740 0.000 0.000 0.180 117 N C 1.470 176.898 175.510 -0.137 0.000 1.050 117 N CA 0.814 53.805 53.050 -0.097 0.000 0.906 117 N CB -0.318 38.124 38.487 -0.074 0.000 0.968 117 N HN 0.435 nan 8.380 nan 0.000 0.445 118 L N 2.688 123.813 121.223 -0.163 0.000 1.989 118 L HA -0.060 4.280 4.340 0.000 0.000 0.211 118 L C -0.898 175.802 176.870 -0.283 0.000 1.071 118 L CA 2.091 56.807 54.840 -0.207 0.000 0.749 118 L CB -1.433 40.502 42.059 -0.207 0.000 0.890 118 L HN 0.110 nan 8.230 nan 0.000 0.431 119 P HA -0.085 nan 4.420 nan 0.000 0.236 119 P C 0.044 177.191 177.300 -0.256 0.000 1.177 119 P CA 0.426 63.288 63.100 -0.397 0.000 0.773 119 P CB -0.070 31.252 31.700 -0.631 0.000 0.878 120 R N 1.958 122.327 120.500 -0.217 0.000 2.643 120 R HA 0.129 4.469 4.340 0.000 0.000 0.270 120 R C -1.367 174.814 176.300 -0.199 0.000 1.061 120 R CA -0.889 55.099 56.100 -0.186 0.000 1.107 120 R CB -0.088 30.129 30.300 -0.138 0.000 0.999 120 R HN 0.123 nan 8.270 nan 0.000 0.460 121 P HA 0.099 nan 4.420 nan 0.000 0.248 121 P C -0.017 176.940 177.300 -0.572 0.000 1.708 121 P CA 0.290 63.189 63.100 -0.335 0.000 1.062 121 P CB 0.277 31.790 31.700 -0.312 0.000 1.562 122 L N 0.063 121.033 121.223 -0.423 0.000 2.629 122 L HA 0.179 4.519 4.340 0.000 0.000 0.230 122 L C 0.771 177.589 176.870 -0.086 0.000 1.151 122 L CA -0.242 54.340 54.840 -0.430 0.000 0.924 122 L CB 0.194 42.120 42.059 -0.222 0.000 1.137 122 L HN -0.079 nan 8.230 nan 0.000 0.457 123 V N -5.329 114.569 119.914 -0.026 0.000 3.007 123 V HA 0.373 4.493 4.120 0.000 0.000 0.311 123 V C 0.627 176.996 176.094 0.458 0.000 1.120 123 V CA -1.050 61.426 62.300 0.293 0.000 0.980 123 V CB 2.154 34.078 31.823 0.168 0.000 1.033 123 V HN 0.032 nan 8.190 nan 0.000 0.429 124 K N 0.869 121.594 120.400 0.542 0.000 2.155 124 K HA 0.078 4.398 4.320 0.000 0.000 0.203 124 K C -0.233 176.629 176.600 0.435 0.000 1.052 124 K CA 1.654 58.222 56.287 0.468 0.000 0.948 124 K CB 0.163 32.842 32.500 0.298 0.000 0.728 124 K HN 0.742 nan 8.250 nan 0.000 0.448 125 W N -0.023 121.379 121.300 0.170 0.000 3.425 125 W HA 0.311 4.971 4.660 0.000 0.000 0.318 125 W C -1.632 174.986 176.519 0.166 0.000 1.201 125 W CA -0.685 56.738 57.345 0.131 0.000 1.212 125 W CB 1.915 31.426 29.460 0.085 0.000 1.355 125 W HN -0.357 nan 8.180 nan 0.000 0.515 126 S N 5.202 120.646 115.700 -0.426 0.000 2.571 126 S HA 0.762 5.232 4.470 0.000 0.000 0.284 126 S C -2.069 172.179 174.600 -0.586 0.000 1.128 126 S CA -0.303 57.706 58.200 -0.317 0.000 0.970 126 S CB 0.746 63.899 63.200 -0.077 0.000 1.039 126 S HN 0.503 nan 8.310 nan 0.000 0.485 127 Y N 2.207 122.060 120.300 -0.744 0.000 2.624 127 Y HA 0.572 5.122 4.550 0.000 0.000 0.334 127 Y C -1.518 174.157 175.900 -0.375 0.000 1.155 127 Y CA -0.714 56.986 58.100 -0.668 0.000 1.046 127 Y CB 1.574 39.330 38.460 -1.175 0.000 1.316 127 Y HN 0.692 nan 8.280 nan 0.000 0.457 128 E N 5.207 124.832 120.200 -0.958 0.000 2.281 128 E HA 0.488 4.838 4.350 0.000 0.000 0.266 128 E C -2.961 173.092 176.600 -0.911 0.000 0.893 128 E CA -2.390 53.614 56.400 -0.660 0.000 0.798 128 E CB 1.967 31.425 29.700 -0.402 0.000 1.245 128 E HN 0.307 nan 8.360 nan 0.000 0.410 129 P HA 0.043 nan 4.420 nan 0.000 0.267 129 P C -0.274 176.915 177.300 -0.186 0.000 1.200 129 P CA 0.152 63.140 63.100 -0.186 0.000 0.772 129 P CB 1.009 32.700 31.700 -0.016 0.000 0.855 130 A N 1.496 124.273 122.820 -0.073 0.000 2.238 130 A HA 0.266 4.586 4.320 0.000 0.000 0.208 130 A C 0.562 178.120 177.584 -0.044 0.000 1.177 130 A CA 0.967 52.968 52.037 -0.060 0.000 0.804 130 A CB -0.523 18.474 19.000 -0.005 0.000 0.823 130 A HN 0.605 nan 8.150 nan 0.000 0.482 131 S N -3.912 111.766 115.700 -0.037 0.000 2.567 131 S HA 0.587 5.058 4.470 0.000 0.000 0.270 131 S C 0.609 175.176 174.600 -0.054 0.000 1.152 131 S CA -0.004 58.173 58.200 -0.039 0.000 0.835 131 S CB 0.937 64.133 63.200 -0.008 0.000 1.115 131 S HN 0.993 nan 8.310 nan 0.000 0.459 132 A N 1.695 124.473 122.820 -0.070 0.000 1.908 132 A HA 0.245 4.565 4.320 0.000 0.000 0.218 132 A C 2.297 179.851 177.584 -0.050 0.000 1.181 132 A CA 2.104 54.082 52.037 -0.098 0.000 0.627 132 A CB -1.583 17.369 19.000 -0.081 0.000 0.818 132 A HN 1.810 nan 8.150 nan 0.000 0.445 133 A N -0.824 121.993 122.820 -0.005 0.000 2.125 133 A HA -0.145 4.175 4.320 0.000 0.000 0.219 133 A C 1.917 179.531 177.584 0.050 0.000 1.156 133 A CA 1.595 53.649 52.037 0.028 0.000 0.671 133 A CB -0.414 18.604 19.000 0.031 0.000 0.794 133 A HN 0.671 nan 8.150 nan 0.000 0.459 134 E N -0.173 120.060 120.200 0.055 0.000 2.371 134 E HA -0.011 4.339 4.350 0.000 0.000 0.194 134 E C 1.595 178.271 176.600 0.125 0.000 1.012 134 E CA 0.557 57.031 56.400 0.122 0.000 0.860 134 E CB -0.009 29.778 29.700 0.146 0.000 0.811 134 E HN 0.372 nan 8.360 nan 0.000 0.502 135 V N 1.772 121.705 119.914 0.031 0.000 2.252 135 V HA -0.238 3.882 4.120 0.000 0.000 0.249 135 V C -0.712 175.436 176.094 0.091 0.000 1.056 135 V CA 2.273 64.566 62.300 -0.012 0.000 1.022 135 V CB -1.468 30.219 31.823 -0.227 0.000 0.641 135 V HN 0.280 nan 8.190 nan 0.000 0.445 136 P HA -0.196 nan 4.420 nan 0.000 0.215 136 P C 1.704 179.128 177.300 0.207 0.000 1.153 136 P CA 1.779 64.987 63.100 0.181 0.000 0.853 136 P CB -0.188 31.615 31.700 0.171 0.000 0.788 137 H N -0.578 118.538 119.070 0.076 0.000 2.321 137 H HA -0.080 4.477 4.556 0.000 0.000 0.300 137 H C 1.805 177.183 175.328 0.084 0.000 1.087 137 H CA 1.211 57.294 56.048 0.058 0.000 1.319 137 H CB -0.138 29.646 29.762 0.038 0.000 1.379 137 H HN -0.018 nan 8.280 nan 0.000 0.501 138 A N 0.956 123.827 122.820 0.084 0.000 1.933 138 A HA -0.209 4.111 4.320 0.000 0.000 0.218 138 A C 2.378 180.077 177.584 0.192 0.000 1.175 138 A CA 1.760 53.878 52.037 0.136 0.000 0.628 138 A CB -0.649 18.542 19.000 0.318 0.000 0.814 138 A HN 0.517 nan 8.150 nan 0.000 0.444 139 M N -0.242 119.466 119.600 0.180 0.000 2.175 139 M HA -0.068 4.412 4.480 0.000 0.000 0.264 139 M C 2.269 178.648 176.300 0.131 0.000 1.063 139 M CA 2.023 57.440 55.300 0.194 0.000 1.119 139 M CB -0.565 32.162 32.600 0.211 0.000 1.377 139 M HN 0.390 nan 8.290 nan 0.000 0.415 140 S N -0.117 115.652 115.700 0.114 0.000 2.356 140 S HA -0.172 4.298 4.470 0.000 0.000 0.223 140 S C 2.043 176.659 174.600 0.027 0.000 1.032 140 S CA 1.620 59.880 58.200 0.099 0.000 1.005 140 S CB -0.183 63.142 63.200 0.207 0.000 0.867 140 S HN 0.620 nan 8.310 nan 0.000 0.449 141 R N 0.806 121.237 120.500 -0.114 0.000 2.091 141 R HA -0.028 4.312 4.340 0.000 0.000 0.238 141 R C 2.696 178.756 176.300 -0.401 0.000 1.136 141 R CA 1.366 57.216 56.100 -0.416 0.000 0.959 141 R CB -0.708 29.049 30.300 -0.905 0.000 0.856 141 R HN 0.502 nan 8.270 nan 0.000 0.437 142 A N 1.504 124.264 122.820 -0.099 0.000 1.883 142 A HA -0.181 4.139 4.320 0.000 0.000 0.217 142 A C 2.207 179.824 177.584 0.055 0.000 1.186 142 A CA 1.445 53.586 52.037 0.173 0.000 0.624 142 A CB -0.620 18.579 19.000 0.331 0.000 0.822 142 A HN 0.201 nan 8.150 nan 0.000 0.444 143 I N -1.095 119.461 120.570 -0.023 0.000 2.163 143 I HA -0.292 3.878 4.170 0.000 0.000 0.243 143 I C 2.494 178.485 176.117 -0.210 0.000 1.085 143 I CA 1.559 62.784 61.300 -0.125 0.000 1.347 143 I CB -0.601 37.240 38.000 -0.264 0.000 1.044 143 I HN 0.427 nan 8.210 nan 0.000 0.408 144 H N -0.283 118.762 119.070 -0.041 0.000 2.403 144 H HA 0.000 4.556 4.556 0.000 0.000 0.298 144 H C 2.330 177.604 175.328 -0.090 0.000 1.059 144 H CA 1.041 57.043 56.048 -0.076 0.000 1.363 144 H CB -0.123 29.576 29.762 -0.106 0.000 1.410 144 H HN 0.242 nan 8.280 nan 0.000 0.528 145 M N 0.464 120.043 119.600 -0.035 0.000 2.213 145 M HA -0.054 4.426 4.480 0.000 0.000 0.263 145 M C 2.398 178.717 176.300 0.032 0.000 1.062 145 M CA 0.908 56.177 55.300 -0.052 0.000 1.105 145 M CB -0.873 31.649 32.600 -0.130 0.000 1.385 145 M HN 0.219 nan 8.290 nan 0.000 0.417 146 A N -1.217 121.635 122.820 0.053 0.000 1.970 146 A HA -0.010 4.310 4.320 0.000 0.000 0.216 146 A C 2.384 179.990 177.584 0.037 0.000 1.170 146 A CA 1.509 53.588 52.037 0.069 0.000 0.645 146 A CB -0.403 18.651 19.000 0.091 0.000 0.816 146 A HN 0.459 nan 8.150 nan 0.000 0.447 147 S N -0.402 115.312 115.700 0.023 0.000 2.458 147 S HA 0.191 4.661 4.470 0.000 0.000 0.223 147 S C 0.873 175.475 174.600 0.003 0.000 1.019 147 S CA 0.143 58.352 58.200 0.015 0.000 0.937 147 S CB -0.221 62.987 63.200 0.014 0.000 0.788 147 S HN 0.534 nan 8.310 nan 0.000 0.511 148 M N 1.778 121.380 119.600 0.002 0.000 2.243 148 M HA 0.295 4.775 4.480 0.000 0.000 0.341 148 M C 0.286 176.555 176.300 -0.052 0.000 1.130 148 M CA -0.392 54.896 55.300 -0.020 0.000 1.162 148 M CB 0.345 32.931 32.600 -0.024 0.000 1.497 148 M HN 0.136 nan 8.290 nan 0.000 0.456 149 A N 4.646 127.425 122.820 -0.068 0.000 2.477 149 A HA 0.426 4.746 4.320 0.000 0.000 0.246 149 A C -2.233 175.276 177.584 -0.126 0.000 1.078 149 A CA -1.102 50.863 52.037 -0.119 0.000 0.770 149 A CB -0.683 18.253 19.000 -0.107 0.000 1.011 149 A HN 0.524 nan 8.150 nan 0.000 0.494 150 P HA 0.177 nan 4.420 nan 0.000 0.287 150 P C -0.654 176.500 177.300 -0.243 0.000 1.281 150 P CA -0.278 62.613 63.100 -0.348 0.000 0.781 150 P CB 0.818 32.215 31.700 -0.505 0.000 0.903 151 Q N 1.140 120.822 119.800 -0.197 0.000 2.432 151 Q HA 0.483 4.823 4.340 0.000 0.000 0.264 151 Q C 0.686 176.672 176.000 -0.024 0.000 1.035 151 Q CA 0.464 56.227 55.803 -0.066 0.000 0.908 151 Q CB 0.394 29.121 28.738 -0.019 0.000 1.280 151 Q HN 0.743 nan 8.270 nan 0.000 0.455 152 G N 1.157 109.966 108.800 0.015 0.000 2.451 152 G HA2 0.330 4.290 3.960 0.000 0.000 0.292 152 G HA3 0.330 4.290 3.960 0.000 0.000 0.292 152 G C -3.080 171.886 174.900 0.111 0.000 1.427 152 G CA -0.879 44.238 45.100 0.028 0.000 0.792 152 G HN 0.385 nan 8.290 nan 0.000 0.498 153 P HA 0.474 nan 4.420 nan 0.000 0.278 153 P C -0.123 177.323 177.300 0.243 0.000 1.238 153 P CA -0.185 63.030 63.100 0.191 0.000 0.794 153 P CB 1.713 33.528 31.700 0.192 0.000 0.955 154 V N 0.579 120.633 119.914 0.234 0.000 3.040 154 V HA 0.625 4.745 4.120 0.000 0.000 0.312 154 V C -1.501 174.764 176.094 0.285 0.000 1.115 154 V CA -1.092 61.389 62.300 0.301 0.000 0.998 154 V CB 2.168 34.213 31.823 0.371 0.000 1.042 154 V HN 0.492 nan 8.190 nan 0.000 0.433 155 Y N 2.855 123.199 120.300 0.073 0.000 2.361 155 Y HA 0.828 5.378 4.550 0.000 0.000 0.337 155 Y C -1.220 174.630 175.900 -0.083 0.000 0.965 155 Y CA -1.209 56.878 58.100 -0.022 0.000 1.091 155 Y CB 2.017 40.440 38.460 -0.061 0.000 1.182 155 Y HN 0.899 nan 8.280 nan 0.000 0.450 156 L N 5.333 126.259 121.223 -0.495 0.000 2.406 156 L HA 0.620 4.960 4.340 0.000 0.000 0.272 156 L C -1.122 175.394 176.870 -0.591 0.000 0.980 156 L CA -0.194 54.411 54.840 -0.393 0.000 0.831 156 L CB 1.941 43.948 42.059 -0.086 0.000 1.253 156 L HN 0.560 nan 8.230 nan 0.000 0.406 157 S N 4.168 119.574 115.700 -0.488 0.000 2.437 157 S HA 0.838 5.308 4.470 0.000 0.000 0.305 157 S C -1.065 173.400 174.600 -0.224 0.000 1.109 157 S CA -0.453 57.525 58.200 -0.369 0.000 1.099 157 S CB 0.912 63.952 63.200 -0.266 0.000 1.004 157 S HN 0.466 nan 8.310 nan 0.000 0.475 158 V N 7.411 127.240 119.914 -0.141 0.000 2.443 158 V HA 0.429 4.549 4.120 0.000 0.000 0.293 158 V C -2.487 173.563 176.094 -0.074 0.000 1.021 158 V CA -2.081 60.128 62.300 -0.151 0.000 0.848 158 V CB 1.604 33.310 31.823 -0.196 0.000 0.998 158 V HN 0.712 nan 8.190 nan 0.000 0.424 159 P HA 0.019 nan 4.420 nan 0.000 0.264 159 P C 0.302 177.580 177.300 -0.036 0.000 1.193 159 P CA 0.037 63.075 63.100 -0.102 0.000 0.763 159 P CB 0.183 31.779 31.700 -0.174 0.000 0.810 160 Y N 2.837 123.201 120.300 0.107 0.000 2.483 160 Y HA -0.149 4.401 4.550 0.000 0.000 0.291 160 Y C 1.278 177.317 175.900 0.232 0.000 1.143 160 Y CA 1.170 59.431 58.100 0.268 0.000 1.289 160 Y CB -1.134 37.492 38.460 0.277 0.000 0.983 160 Y HN 0.290 nan 8.280 nan 0.000 0.556 161 D N -0.848 119.491 120.400 -0.101 0.000 2.340 161 D HA -0.094 4.546 4.640 0.000 0.000 0.220 161 D C 0.557 176.854 176.300 -0.005 0.000 1.039 161 D CA 0.481 54.469 54.000 -0.020 0.000 0.866 161 D CB -0.225 40.464 40.800 -0.186 0.000 0.913 161 D HN 0.353 nan 8.370 nan 0.000 0.523 162 D N 0.640 120.969 120.400 -0.119 0.000 2.162 162 D HA -0.063 4.577 4.640 0.000 0.000 0.203 162 D C 1.660 177.891 176.300 -0.114 0.000 0.967 162 D CA 0.600 54.471 54.000 -0.214 0.000 0.840 162 D CB -0.544 39.990 40.800 -0.444 0.000 0.972 162 D HN 0.373 nan 8.370 nan 0.000 0.482 163 W N 1.624 123.036 121.300 0.188 0.000 2.321 163 W HA -0.158 4.502 4.660 0.000 0.000 0.306 163 W C 1.771 178.423 176.519 0.221 0.000 1.217 163 W CA 0.690 58.190 57.345 0.258 0.000 1.257 163 W CB -0.247 29.433 29.460 0.366 0.000 1.145 163 W HN -0.072 nan 8.180 nan 0.000 0.509 164 D N -0.188 120.430 120.400 0.363 0.000 2.317 164 D HA -0.045 4.595 4.640 0.000 0.000 0.211 164 D C 0.980 177.377 176.300 0.162 0.000 0.966 164 D CA 0.829 54.968 54.000 0.231 0.000 0.876 164 D CB -0.259 40.648 40.800 0.178 0.000 0.927 164 D HN -0.042 nan 8.370 nan 0.000 0.519 165 K N 1.631 122.110 120.400 0.133 0.000 2.276 165 K HA 0.060 4.380 4.320 0.000 0.000 0.259 165 K C 0.156 176.817 176.600 0.101 0.000 1.001 165 K CA -0.200 56.138 56.287 0.086 0.000 0.927 165 K CB 0.468 32.992 32.500 0.041 0.000 0.969 165 K HN -0.015 nan 8.250 nan 0.000 0.490 166 D N 0.483 120.930 120.400 0.079 0.000 2.382 166 D HA 0.158 4.798 4.640 0.000 0.000 0.245 166 D C -0.076 176.275 176.300 0.086 0.000 1.120 166 D CA 0.153 54.203 54.000 0.085 0.000 0.890 166 D CB 0.870 41.709 40.800 0.065 0.000 1.201 166 D HN 0.449 nan 8.370 nan 0.000 0.433 167 A N 1.670 124.554 122.820 0.106 0.000 2.293 167 A HA 0.223 4.543 4.320 0.000 0.000 0.302 167 A C 0.073 177.706 177.584 0.081 0.000 1.119 167 A CA -0.651 51.448 52.037 0.104 0.000 0.823 167 A CB 0.730 19.818 19.000 0.147 0.000 1.097 167 A HN 0.456 nan 8.150 nan 0.000 0.491 168 D N 1.570 122.007 120.400 0.062 0.000 2.417 168 D HA 0.208 4.848 4.640 0.000 0.000 0.250 168 D C -1.623 174.707 176.300 0.050 0.000 1.166 168 D CA -1.580 52.447 54.000 0.045 0.000 0.881 168 D CB 1.061 41.874 40.800 0.022 0.000 1.164 168 D HN 0.106 nan 8.370 nan 0.000 0.467 169 P HA -0.146 nan 4.420 nan 0.000 0.217 169 P C 0.990 178.361 177.300 0.118 0.000 1.148 169 P CA 0.964 64.120 63.100 0.093 0.000 0.828 169 P CB 0.238 31.988 31.700 0.083 0.000 0.783 170 Q N -0.933 118.899 119.800 0.054 0.000 2.541 170 Q HA 0.004 4.344 4.340 0.000 0.000 0.215 170 Q C 1.879 177.779 176.000 -0.167 0.000 0.977 170 Q CA 0.816 56.618 55.803 -0.002 0.000 0.934 170 Q CB -0.779 27.975 28.738 0.025 0.000 0.988 170 Q HN 0.281 nan 8.270 nan 0.000 0.521 171 S N 0.455 116.068 115.700 -0.146 0.000 2.447 171 S HA -0.131 4.339 4.470 0.000 0.000 0.233 171 S C 1.592 175.832 174.600 -0.600 0.000 1.006 171 S CA 0.884 58.938 58.200 -0.244 0.000 0.957 171 S CB -0.346 62.793 63.200 -0.103 0.000 0.773 171 S HN 0.630 nan 8.310 nan 0.000 0.507 172 H N 0.558 119.238 119.070 -0.650 0.000 2.489 172 H HA -0.088 4.468 4.556 0.000 0.000 0.295 172 H C 1.306 176.178 175.328 -0.760 0.000 1.082 172 H CA 1.426 56.811 56.048 -1.105 0.000 1.295 172 H CB -0.707 28.791 29.762 -0.440 0.000 1.380 172 H HN 0.489 nan 8.280 nan 0.000 0.548 173 H N 0.789 119.330 119.070 -0.882 0.000 2.543 173 H HA 0.016 4.572 4.556 0.000 0.000 0.286 173 H C 2.343 177.510 175.328 -0.268 0.000 1.037 173 H CA 0.915 56.662 56.048 -0.502 0.000 1.250 173 H CB 0.330 29.817 29.762 -0.459 0.000 1.373 173 H HN 0.421 nan 8.280 nan 0.000 0.580 174 L N -0.816 120.270 121.223 -0.227 0.000 2.162 174 L HA -0.074 4.266 4.340 0.000 0.000 0.205 174 L C 2.127 179.077 176.870 0.134 0.000 1.086 174 L CA 0.140 54.959 54.840 -0.034 0.000 0.778 174 L CB -0.428 41.621 42.059 -0.016 0.000 0.928 174 L HN 0.017 nan 8.230 nan 0.000 0.446 175 F N 1.016 121.030 119.950 0.107 0.000 2.048 175 F HA -0.321 4.206 4.527 0.000 0.000 0.296 175 F C 1.773 177.641 175.800 0.113 0.000 1.109 175 F CA 1.290 59.355 58.000 0.109 0.000 1.214 175 F CB -0.899 38.164 39.000 0.105 0.000 0.963 175 F HN 0.190 nan 8.300 nan 0.000 0.491 176 D N -0.170 120.417 120.400 0.312 0.000 2.525 176 D HA 0.071 4.711 4.640 0.000 0.000 0.229 176 D C 0.291 176.707 176.300 0.194 0.000 1.202 176 D CA -0.074 54.062 54.000 0.227 0.000 0.828 176 D CB -0.058 40.859 40.800 0.195 0.000 1.008 176 D HN 0.161 nan 8.370 nan 0.000 0.493 177 R N 1.079 121.693 120.500 0.189 0.000 2.522 177 R HA 0.064 4.404 4.340 0.000 0.000 0.284 177 R C 0.244 176.630 176.300 0.143 0.000 1.032 177 R CA 0.254 56.429 56.100 0.125 0.000 1.049 177 R CB 0.606 30.943 30.300 0.062 0.000 0.956 177 R HN 0.148 nan 8.270 nan 0.000 0.422 178 H N 3.324 122.406 119.070 0.019 0.000 2.638 178 H HA 0.256 4.812 4.556 0.000 0.000 0.317 178 H C -1.297 174.002 175.328 -0.048 0.000 1.006 178 H CA -0.577 55.488 56.048 0.029 0.000 1.222 178 H CB 0.987 30.771 29.762 0.037 0.000 1.419 178 H HN 0.215 nan 8.280 nan 0.000 0.489 179 V N 4.382 124.213 119.914 -0.137 0.000 2.398 179 V HA 0.271 4.391 4.120 0.000 0.000 0.286 179 V C 0.367 176.464 176.094 0.005 0.000 1.026 179 V CA -0.541 61.703 62.300 -0.093 0.000 0.868 179 V CB 1.458 33.122 31.823 -0.265 0.000 0.982 179 V HN 0.756 nan 8.190 nan 0.000 0.443 180 S N 2.732 118.482 115.700 0.083 0.000 2.513 180 S HA 0.612 5.082 4.470 0.000 0.000 0.299 180 S C 0.394 175.013 174.600 0.031 0.000 1.087 180 S CA 0.096 58.353 58.200 0.095 0.000 1.012 180 S CB 1.858 65.147 63.200 0.148 0.000 1.044 180 S HN 0.991 nan 8.310 nan 0.000 0.485 181 S N 1.866 117.578 115.700 0.021 0.000 2.952 181 S HA 0.204 4.674 4.470 0.000 0.000 0.251 181 S C 0.219 174.818 174.600 -0.001 0.000 1.021 181 S CA -0.326 57.872 58.200 -0.003 0.000 1.067 181 S CB 0.190 63.377 63.200 -0.021 0.000 1.002 181 S HN 0.542 nan 8.310 nan 0.000 0.574 182 S N 2.778 118.487 115.700 0.016 0.000 4.120 182 S HA 0.422 4.892 4.470 0.000 0.000 0.215 182 S C 0.305 174.908 174.600 0.004 0.000 1.347 182 S CA -0.213 57.994 58.200 0.013 0.000 0.889 182 S CB -1.281 61.936 63.200 0.028 0.000 1.585 182 S HN 0.718 nan 8.310 nan 0.000 0.447 183 V N 2.543 122.454 119.914 -0.005 0.000 3.019 183 V HA 0.998 5.118 4.120 0.000 0.000 0.317 183 V C -0.679 175.409 176.094 -0.010 0.000 1.094 183 V CA -1.370 60.925 62.300 -0.008 0.000 1.000 183 V CB 1.880 33.696 31.823 -0.012 0.000 1.060 183 V HN 0.722 nan 8.190 nan 0.000 0.443 184 R N 1.669 122.163 120.500 -0.009 0.000 2.739 184 R HA 0.725 5.065 4.340 0.000 0.000 0.271 184 R C -1.054 175.240 176.300 -0.009 0.000 1.010 184 R CA -0.960 55.135 56.100 -0.009 0.000 0.897 184 R CB 0.605 30.902 30.300 -0.005 0.000 1.236 184 R HN 0.865 nan 8.270 nan 0.000 0.466 185 L N 2.087 123.304 121.223 -0.010 0.000 2.573 185 L HA 0.093 4.433 4.340 0.000 0.000 0.290 185 L C -0.360 176.505 176.870 -0.007 0.000 1.247 185 L CA 0.666 55.500 54.840 -0.009 0.000 0.876 185 L CB -0.167 41.886 42.059 -0.009 0.000 1.123 185 L HN 0.937 nan 8.230 nan 0.000 0.505 186 N N 1.996 120.692 118.700 -0.008 0.000 2.344 186 N HA -0.036 4.704 4.740 0.000 0.000 0.236 186 N C 0.460 175.967 175.510 -0.005 0.000 1.279 186 N CA 0.108 53.154 53.050 -0.006 0.000 0.882 186 N CB 0.239 38.721 38.487 -0.007 0.000 1.110 186 N HN 0.604 nan 8.380 nan 0.000 0.436 187 D N -0.060 120.337 120.400 -0.004 0.000 2.127 187 D HA -0.287 4.354 4.640 0.000 0.000 0.190 187 D C 1.568 177.867 176.300 -0.002 0.000 1.000 187 D CA 1.647 55.645 54.000 -0.003 0.000 0.839 187 D CB -0.486 40.313 40.800 -0.003 0.000 0.955 187 D HN 0.832 nan 8.370 nan 0.000 0.446 188 Q N 0.312 120.110 119.800 -0.003 0.000 2.045 188 Q HA -0.201 4.139 4.340 0.000 0.000 0.206 188 Q C 1.314 177.312 176.000 -0.002 0.000 0.991 188 Q CA 1.873 57.674 55.803 -0.002 0.000 0.851 188 Q CB 0.034 28.770 28.738 -0.003 0.000 0.911 188 Q HN 0.160 nan 8.270 nan 0.000 0.418 189 D N 0.246 120.644 120.400 -0.004 0.000 2.178 189 D HA -0.121 4.519 4.640 0.000 0.000 0.202 189 D C 1.844 178.142 176.300 -0.003 0.000 0.974 189 D CA 0.482 54.480 54.000 -0.004 0.000 0.841 189 D CB -0.133 40.664 40.800 -0.006 0.000 0.953 189 D HN 0.231 nan 8.370 nan 0.000 0.478 190 L N 1.109 122.330 121.223 -0.003 0.000 2.093 190 L HA -0.117 4.223 4.340 0.000 0.000 0.208 190 L C 1.370 178.241 176.870 0.000 0.000 1.085 190 L CA 1.766 56.605 54.840 -0.002 0.000 0.755 190 L CB -0.409 41.649 42.059 -0.001 0.000 0.904 190 L HN -0.158 nan 8.230 nan 0.000 0.435 191 D N -0.333 120.067 120.400 0.001 0.000 2.144 191 D HA -0.169 4.472 4.640 0.000 0.000 0.199 191 D C 2.344 178.646 176.300 0.002 0.000 0.984 191 D CA 1.668 55.669 54.000 0.002 0.000 0.834 191 D CB -0.040 40.761 40.800 0.002 0.000 0.955 191 D HN 0.433 nan 8.370 nan 0.000 0.465 192 I N 0.587 121.158 120.570 0.001 0.000 2.208 192 I HA -0.251 3.919 4.170 0.000 0.000 0.245 192 I C 2.397 178.516 176.117 0.002 0.000 1.097 192 I CA 0.525 61.826 61.300 0.001 0.000 1.363 192 I CB -0.145 37.855 38.000 -0.001 0.000 1.051 192 I HN 0.021 nan 8.210 nan 0.000 0.413 193 L N 0.637 121.860 121.223 0.001 0.000 2.017 193 L HA -0.136 4.204 4.340 0.000 0.000 0.208 193 L C 2.423 179.297 176.870 0.005 0.000 1.073 193 L CA 1.786 56.627 54.840 0.002 0.000 0.745 193 L CB -0.579 41.480 42.059 -0.000 0.000 0.894 193 L HN -0.036 nan 8.230 nan 0.000 0.432 194 V N 0.018 119.935 119.914 0.005 0.000 2.332 194 V HA -0.334 3.786 4.120 0.000 0.000 0.248 194 V C 2.630 178.730 176.094 0.009 0.000 1.055 194 V CA 2.196 64.501 62.300 0.008 0.000 1.038 194 V CB -0.819 31.009 31.823 0.008 0.000 0.651 194 V HN 0.475 nan 8.190 nan 0.000 0.450 195 K N 0.153 120.558 120.400 0.008 0.000 2.097 195 K HA -0.128 4.192 4.320 0.000 0.000 0.206 195 K C 2.327 178.933 176.600 0.010 0.000 1.049 195 K CA 1.438 57.730 56.287 0.008 0.000 0.933 195 K CB -0.415 32.089 32.500 0.006 0.000 0.717 195 K HN 0.490 nan 8.250 nan 0.000 0.442 196 A N 1.488 124.313 122.820 0.009 0.000 1.902 196 A HA -0.131 4.189 4.320 0.000 0.000 0.217 196 A C 2.117 179.710 177.584 0.015 0.000 1.181 196 A CA 1.235 53.279 52.037 0.011 0.000 0.623 196 A CB -0.584 18.421 19.000 0.009 0.000 0.818 196 A HN 0.149 nan 8.150 nan 0.000 0.443 197 L N -0.453 120.779 121.223 0.015 0.000 2.056 197 L HA -0.171 4.169 4.340 0.000 0.000 0.207 197 L C 2.180 179.062 176.870 0.021 0.000 1.078 197 L CA 1.154 56.006 54.840 0.019 0.000 0.749 197 L CB -0.665 41.405 42.059 0.017 0.000 0.901 197 L HN 0.332 nan 8.230 nan 0.000 0.433 198 N N -0.364 118.347 118.700 0.018 0.000 2.223 198 N HA -0.122 4.618 4.740 0.000 0.000 0.185 198 N C 1.926 177.447 175.510 0.018 0.000 1.016 198 N CA 1.283 54.344 53.050 0.018 0.000 0.863 198 N CB -0.115 38.381 38.487 0.015 0.000 0.983 198 N HN 0.179 nan 8.380 nan 0.000 0.429 199 S N 0.133 115.844 115.700 0.017 0.000 2.478 199 S HA 0.210 4.680 4.470 0.000 0.000 0.222 199 S C 0.862 175.474 174.600 0.021 0.000 1.008 199 S CA -0.188 58.022 58.200 0.017 0.000 0.928 199 S CB 0.027 63.236 63.200 0.014 0.000 0.781 199 S HN 0.430 nan 8.310 nan 0.000 0.518 200 A N 2.214 125.049 122.820 0.026 0.000 2.566 200 A HA 0.226 4.546 4.320 0.000 0.000 0.245 200 A C 1.403 179.008 177.584 0.036 0.000 1.056 200 A CA 0.307 52.364 52.037 0.034 0.000 0.757 200 A CB 0.091 19.117 19.000 0.043 0.000 0.979 200 A HN 0.443 nan 8.150 nan 0.000 0.508 201 S N 1.455 117.175 115.700 0.033 0.000 2.446 201 S HA -0.006 4.464 4.470 0.000 0.000 0.225 201 S C 0.721 175.343 174.600 0.037 0.000 1.016 201 S CA 0.880 59.096 58.200 0.027 0.000 0.943 201 S CB -0.111 63.098 63.200 0.015 0.000 0.786 201 S HN 0.828 nan 8.310 nan 0.000 0.508 202 N N 1.945 120.680 118.700 0.058 0.000 2.697 202 N HA 0.354 5.094 4.740 0.000 0.000 0.253 202 N C -3.209 172.443 175.510 0.237 0.000 1.604 202 N CA -1.705 51.404 53.050 0.099 0.000 0.772 202 N CB 1.304 39.789 38.487 -0.003 0.000 1.267 202 N HN 0.128 nan 8.380 nan 0.000 0.510 203 P HA 0.342 nan 4.420 nan 0.000 0.272 203 P C -1.022 176.338 177.300 0.101 0.000 1.230 203 P CA -0.298 62.883 63.100 0.136 0.000 0.788 203 P CB 1.460 33.201 31.700 0.069 0.000 0.949 204 A N 2.105 124.903 122.820 -0.036 0.000 2.486 204 A HA 0.727 5.047 4.320 0.000 0.000 0.300 204 A C -0.859 176.681 177.584 -0.072 0.000 1.048 204 A CA -0.757 51.167 52.037 -0.189 0.000 0.696 204 A CB 1.110 19.786 19.000 -0.539 0.000 1.278 204 A HN 0.427 nan 8.150 nan 0.000 0.405 205 I N 1.578 122.114 120.570 -0.057 0.000 2.465 205 I HA 0.517 4.687 4.170 0.000 0.000 0.291 205 I C -0.947 175.166 176.117 -0.007 0.000 1.014 205 I CA -1.012 60.260 61.300 -0.046 0.000 1.093 205 I CB 2.157 40.094 38.000 -0.105 0.000 1.267 205 I HN 0.318 nan 8.210 nan 0.000 0.431 206 V N 7.055 126.977 119.914 0.013 0.000 2.444 206 V HA 0.461 4.581 4.120 0.000 0.000 0.294 206 V C -0.182 175.926 176.094 0.023 0.000 1.022 206 V CA -0.507 61.811 62.300 0.030 0.000 0.850 206 V CB 1.827 33.681 31.823 0.052 0.000 0.992 206 V HN 0.469 nan 8.190 nan 0.000 0.426 207 L N 4.093 125.319 121.223 0.005 0.000 2.325 207 L HA 0.862 5.202 4.340 0.000 0.000 0.278 207 L C 0.779 177.681 176.870 0.053 0.000 1.023 207 L CA -0.293 54.566 54.840 0.031 0.000 0.811 207 L CB 1.830 43.911 42.059 0.036 0.000 1.249 207 L HN 0.741 nan 8.230 nan 0.000 0.431 208 G N 0.986 109.827 108.800 0.068 0.000 2.667 208 G HA2 0.496 4.456 3.960 0.000 0.000 0.310 208 G HA3 0.496 4.456 3.960 0.000 0.000 0.310 208 G C -1.958 173.002 174.900 0.100 0.000 1.259 208 G CA -1.022 44.123 45.100 0.077 0.000 1.019 208 G HN 0.424 nan 8.290 nan 0.000 0.496 209 P HA -0.127 nan 4.420 nan 0.000 0.216 209 P C 0.671 178.046 177.300 0.126 0.000 1.150 209 P CA 1.188 64.367 63.100 0.132 0.000 0.843 209 P CB 0.241 32.018 31.700 0.128 0.000 0.787 210 D N -0.349 120.126 120.400 0.124 0.000 2.309 210 D HA -0.078 4.562 4.640 0.000 0.000 0.212 210 D C 2.035 178.381 176.300 0.077 0.000 0.968 210 D CA 0.663 54.728 54.000 0.108 0.000 0.882 210 D CB -0.301 40.556 40.800 0.095 0.000 0.918 210 D HN 0.095 nan 8.370 nan 0.000 0.503 211 V N 1.065 121.028 119.914 0.081 0.000 2.270 211 V HA -0.232 3.888 4.120 0.000 0.000 0.245 211 V C 2.207 178.346 176.094 0.076 0.000 1.043 211 V CA 1.859 64.204 62.300 0.075 0.000 1.014 211 V CB -0.364 31.513 31.823 0.091 0.000 0.645 211 V HN 0.071 nan 8.190 nan 0.000 0.447 212 D N 0.073 120.526 120.400 0.088 0.000 2.144 212 D HA -0.115 4.525 4.640 0.000 0.000 0.200 212 D C 2.088 178.436 176.300 0.080 0.000 0.978 212 D CA 1.363 55.409 54.000 0.077 0.000 0.833 212 D CB -0.116 40.728 40.800 0.074 0.000 0.961 212 D HN 0.362 nan 8.370 nan 0.000 0.470 213 A N 0.320 123.196 122.820 0.094 0.000 1.933 213 A HA 0.044 4.364 4.320 0.000 0.000 0.218 213 A C 2.243 179.863 177.584 0.061 0.000 1.175 213 A CA 1.921 54.013 52.037 0.093 0.000 0.628 213 A CB -0.802 18.258 19.000 0.100 0.000 0.814 213 A HN 0.305 nan 8.150 nan 0.000 0.444 214 A N -1.294 121.555 122.820 0.049 0.000 2.251 214 A HA 0.247 4.567 4.320 0.000 0.000 0.209 214 A C 0.926 178.529 177.584 0.032 0.000 1.187 214 A CA 0.841 52.897 52.037 0.033 0.000 0.823 214 A CB -0.613 18.401 19.000 0.025 0.000 0.846 214 A HN 0.839 nan 8.150 nan 0.000 0.486 215 N N -2.240 116.483 118.700 0.038 0.000 2.740 215 N HA -0.224 4.516 4.740 0.000 0.000 0.248 215 N C 0.403 175.928 175.510 0.025 0.000 1.062 215 N CA 1.022 54.090 53.050 0.029 0.000 0.704 215 N CB -1.358 37.142 38.487 0.022 0.000 0.968 215 N HN 0.547 nan 8.380 nan 0.000 0.547 216 A N -0.662 122.179 122.820 0.034 0.000 2.379 216 A HA 0.215 4.535 4.320 0.000 0.000 0.236 216 A C 1.637 179.247 177.584 0.045 0.000 1.272 216 A CA 0.433 52.491 52.037 0.036 0.000 0.886 216 A CB -0.076 18.948 19.000 0.040 0.000 0.962 216 A HN 0.533 nan 8.150 nan 0.000 0.504 217 N N 1.914 120.636 118.700 0.037 0.000 2.018 217 N HA -0.214 4.526 4.740 0.000 0.000 0.196 217 N C 1.903 177.402 175.510 -0.017 0.000 1.043 217 N CA 2.055 55.121 53.050 0.027 0.000 0.856 217 N CB -0.546 37.931 38.487 -0.018 0.000 1.042 217 N HN 0.446 nan 8.380 nan 0.000 0.423 218 A N 1.188 123.987 122.820 -0.035 0.000 1.873 218 A HA -0.219 4.101 4.320 0.000 0.000 0.218 218 A C 1.777 179.354 177.584 -0.012 0.000 1.193 218 A CA 2.061 54.070 52.037 -0.047 0.000 0.629 218 A CB -0.811 18.171 19.000 -0.031 0.000 0.826 218 A HN 0.209 nan 8.150 nan 0.000 0.447 219 D N -0.709 119.700 120.400 0.014 0.000 2.178 219 D HA -0.118 4.522 4.640 0.000 0.000 0.201 219 D C 1.991 178.326 176.300 0.058 0.000 0.980 219 D CA 1.323 55.341 54.000 0.030 0.000 0.842 219 D CB -0.521 40.296 40.800 0.028 0.000 0.948 219 D HN 0.465 nan 8.370 nan 0.000 0.472 220 C N 0.044 119.399 119.300 0.091 0.000 2.457 220 C HA -0.032 4.428 4.460 0.000 0.000 0.278 220 C C 2.904 178.056 174.990 0.271 0.000 1.309 220 C CA -0.019 59.099 59.018 0.167 0.000 1.735 220 C CB -0.687 27.189 27.740 0.226 0.000 1.992 220 C HN 0.166 nan 8.230 nan 0.000 0.493 221 V N 1.064 121.076 119.914 0.164 0.000 2.295 221 V HA -0.318 3.802 4.120 0.000 0.000 0.246 221 V C 2.394 178.534 176.094 0.076 0.000 1.049 221 V CA 2.466 64.773 62.300 0.013 0.000 1.024 221 V CB -0.682 30.974 31.823 -0.277 0.000 0.648 221 V HN 0.631 nan 8.190 nan 0.000 0.447 222 M N -0.308 119.326 119.600 0.057 0.000 2.065 222 M HA -0.203 4.277 4.480 0.000 0.000 0.259 222 M C 2.079 178.421 176.300 0.070 0.000 1.069 222 M CA 2.158 57.495 55.300 0.060 0.000 1.110 222 M CB -0.409 32.215 32.600 0.039 0.000 1.328 222 M HN 0.296 nan 8.290 nan 0.000 0.405 223 L N 0.918 122.182 121.223 0.068 0.000 2.043 223 L HA -0.144 4.196 4.340 0.000 0.000 0.212 223 L C 2.455 179.359 176.870 0.057 0.000 1.075 223 L CA 2.422 57.296 54.840 0.055 0.000 0.752 223 L CB -1.189 40.899 42.059 0.048 0.000 0.891 223 L HN 0.433 nan 8.230 nan 0.000 0.432 224 A N -0.964 121.902 122.820 0.076 0.000 1.933 224 A HA -0.210 4.110 4.320 0.000 0.000 0.218 224 A C 2.139 179.777 177.584 0.090 0.000 1.175 224 A CA 1.773 53.843 52.037 0.054 0.000 0.628 224 A CB -0.591 18.436 19.000 0.046 0.000 0.814 224 A HN 0.648 nan 8.150 nan 0.000 0.444 225 E N -0.551 119.724 120.200 0.125 0.000 2.107 225 E HA -0.144 4.206 4.350 0.000 0.000 0.191 225 E C 2.275 178.927 176.600 0.087 0.000 0.982 225 E CA 0.717 57.200 56.400 0.140 0.000 0.809 225 E CB -0.142 29.655 29.700 0.162 0.000 0.756 225 E HN 0.426 nan 8.360 nan 0.000 0.459 226 R N 0.743 121.284 120.500 0.068 0.000 2.066 226 R HA -0.065 4.276 4.340 0.000 0.000 0.232 226 R C 2.348 178.674 176.300 0.045 0.000 1.131 226 R CA 0.932 57.061 56.100 0.049 0.000 0.955 226 R CB -0.729 29.596 30.300 0.041 0.000 0.851 226 R HN 0.246 nan 8.270 nan 0.000 0.432 227 L N 1.444 122.693 121.223 0.044 0.000 2.552 227 L HA 0.033 4.374 4.340 0.000 0.000 0.227 227 L C 0.146 177.043 176.870 0.045 0.000 1.146 227 L CA 0.178 55.041 54.840 0.039 0.000 0.858 227 L CB -0.219 41.859 42.059 0.032 0.000 0.969 227 L HN 0.061 nan 8.230 nan 0.000 0.451 228 K N -0.154 120.279 120.400 0.055 0.000 3.148 228 K HA -0.181 4.139 4.320 0.000 0.000 0.267 228 K C -0.020 176.612 176.600 0.054 0.000 0.996 228 K CA 0.877 57.200 56.287 0.060 0.000 0.737 228 K CB -1.906 30.624 32.500 0.051 0.000 1.308 228 K HN 0.364 nan 8.250 nan 0.000 0.470 229 A N 0.954 123.797 122.820 0.038 0.000 2.337 229 A HA 0.728 5.048 4.320 0.000 0.000 0.331 229 A C -2.206 175.350 177.584 -0.048 0.000 1.137 229 A CA -1.473 50.571 52.037 0.012 0.000 0.807 229 A CB 1.200 20.199 19.000 -0.001 0.000 1.250 229 A HN -0.008 nan 8.150 nan 0.000 0.468 230 P HA 0.338 nan 4.420 nan 0.000 0.275 230 P C -0.826 176.263 177.300 -0.352 0.000 1.228 230 P CA -0.022 62.938 63.100 -0.234 0.000 0.786 230 P CB 1.138 32.703 31.700 -0.226 0.000 0.927 231 V N 2.989 122.576 119.914 -0.544 0.000 2.487 231 V HA 0.368 4.488 4.120 0.000 0.000 0.298 231 V C -0.552 175.129 176.094 -0.688 0.000 1.028 231 V CA -0.284 61.673 62.300 -0.572 0.000 0.860 231 V CB 1.239 32.508 31.823 -0.924 0.000 0.991 231 V HN 0.592 nan 8.190 nan 0.000 0.427 232 W N 2.591 123.659 121.300 -0.388 0.000 2.719 232 W HA 0.754 5.414 4.660 0.000 0.000 0.352 232 W C -0.544 175.794 176.519 -0.302 0.000 1.085 232 W CA -0.911 56.179 57.345 -0.425 0.000 1.187 232 W CB 1.519 30.743 29.460 -0.392 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.881 122.748 119.914 -0.079 0.000 2.407 233 V HA 0.580 4.700 4.120 0.000 0.000 0.278 233 V C 0.560 176.539 176.094 -0.191 0.000 1.037 233 V CA -1.271 60.959 62.300 -0.118 0.000 0.900 233 V CB 0.423 32.067 31.823 -0.299 0.000 0.983 233 V HN 0.693 nan 8.190 nan 0.000 0.459 234 A N 8.499 131.246 122.820 -0.123 0.000 2.555 234 A HA 0.361 4.681 4.320 0.000 0.000 0.233 234 A C -1.799 175.664 177.584 -0.201 0.000 1.060 234 A CA -0.638 51.307 52.037 -0.153 0.000 0.759 234 A CB -0.419 18.575 19.000 -0.009 0.000 0.995 234 A HN 0.706 nan 8.150 nan 0.000 0.506 235 P HA 0.041 nan 4.420 nan 0.000 0.268 235 P C 0.015 177.255 177.300 -0.101 0.000 1.208 235 P CA 0.719 63.701 63.100 -0.197 0.000 0.777 235 P CB 0.518 32.109 31.700 -0.182 0.000 0.875 236 S N -1.368 114.280 115.700 -0.087 0.000 3.635 236 S HA -0.178 4.292 4.470 0.000 0.000 0.328 236 S C 0.667 175.309 174.600 0.069 0.000 1.135 236 S CA 0.699 58.904 58.200 0.007 0.000 0.942 236 S CB -2.220 61.032 63.200 0.087 0.000 0.930 236 S HN 0.976 nan 8.310 nan 0.000 0.512 237 A N 0.775 123.594 122.820 -0.003 0.000 2.563 237 A HA 0.308 4.628 4.320 0.000 0.000 0.256 237 A C -0.607 177.233 177.584 0.427 0.000 1.056 237 A CA -0.165 51.967 52.037 0.158 0.000 0.775 237 A CB 0.073 19.120 19.000 0.078 0.000 0.973 237 A HN 0.319 nan 8.150 nan 0.000 0.516 238 P HA 0.076 nan 4.420 nan 0.000 0.235 238 P C 0.218 177.744 177.300 0.378 0.000 1.177 238 P CA 0.782 64.108 63.100 0.376 0.000 0.785 238 P CB 0.369 32.178 31.700 0.181 0.000 0.885 239 R N -2.676 118.057 120.500 0.389 0.000 2.795 239 R HA 0.550 4.890 4.340 0.000 0.000 0.268 239 R C -1.436 175.113 176.300 0.415 0.000 1.041 239 R CA -0.807 55.467 56.100 0.290 0.000 0.927 239 R CB 1.046 31.409 30.300 0.104 0.000 1.235 239 R HN -0.154 nan 8.270 nan 0.000 0.463 240 C N 2.927 122.385 119.300 0.263 0.000 2.264 240 C HA 0.524 4.984 4.460 0.000 0.000 0.324 240 C C -1.697 173.391 174.990 0.163 0.000 1.267 240 C CA -1.879 57.307 59.018 0.281 0.000 1.618 240 C CB 0.698 28.443 27.740 0.008 0.000 2.278 240 C HN 0.626 nan 8.230 nan 0.000 0.499 241 P HA 0.220 nan 4.420 nan 0.000 0.268 241 P C -0.330 177.116 177.300 0.244 0.000 1.329 241 P CA 0.232 63.438 63.100 0.177 0.000 0.899 241 P CB 0.128 31.932 31.700 0.175 0.000 1.378 242 F N 1.775 121.694 119.950 -0.052 0.000 2.665 242 F HA 0.452 4.979 4.527 0.000 0.000 0.308 242 F C -2.606 173.013 175.800 -0.302 0.000 1.112 242 F CA -2.320 55.594 58.000 -0.143 0.000 0.972 242 F CB 2.152 41.101 39.000 -0.085 0.000 1.295 242 F HN -0.333 nan 8.300 nan 0.000 0.440 243 P HA 0.069 nan 4.420 nan 0.000 0.266 243 P C 0.475 177.512 177.300 -0.439 0.000 1.215 243 P CA 0.165 63.038 63.100 -0.378 0.000 0.763 243 P CB 0.754 32.254 31.700 -0.333 0.000 0.806 244 T N 0.909 115.137 114.554 -0.543 0.000 3.077 244 T HA -0.063 4.287 4.350 0.000 0.000 0.269 244 T C 1.142 175.772 174.700 -0.116 0.000 1.146 244 T CA 0.702 62.361 62.100 -0.735 0.000 1.091 244 T CB -0.347 68.312 68.868 -0.348 0.000 0.892 244 T HN 0.238 nan 8.240 nan 0.000 0.533 245 R N 0.219 120.690 120.500 -0.048 0.000 2.508 245 R HA 0.207 4.547 4.340 0.000 0.000 0.300 245 R C 0.286 176.640 176.300 0.091 0.000 0.970 245 R CA -0.345 55.787 56.100 0.054 0.000 1.102 245 R CB -0.333 29.968 30.300 0.001 0.000 1.246 245 R HN 0.599 nan 8.270 nan 0.000 0.539 246 H N 3.410 122.495 119.070 0.026 0.000 2.815 246 H HA 0.062 4.618 4.556 0.000 0.000 0.350 246 H C -1.379 174.031 175.328 0.137 0.000 1.080 246 H CA -1.201 54.877 56.048 0.051 0.000 1.433 246 H CB 1.591 31.363 29.762 0.016 0.000 1.432 246 H HN -0.128 nan 8.280 nan 0.000 0.592 247 P HA -0.175 nan 4.420 nan 0.000 0.217 247 P C 1.374 178.811 177.300 0.228 0.000 1.148 247 P CA 1.248 64.376 63.100 0.048 0.000 0.834 247 P CB -0.057 31.584 31.700 -0.098 0.000 0.783 248 C N -2.260 117.385 119.300 0.575 0.000 2.464 248 C HA 0.125 4.585 4.460 0.000 0.000 0.278 248 C C 1.496 176.533 174.990 0.079 0.000 1.375 248 C CA -0.632 58.551 59.018 0.275 0.000 1.761 248 C CB -1.895 25.989 27.740 0.241 0.000 1.944 248 C HN 0.109 nan 8.230 nan 0.000 0.509 249 F N 2.294 122.295 119.950 0.084 0.000 2.623 249 F HA 0.078 4.605 4.527 0.000 0.000 0.383 249 F C 1.290 176.906 175.800 -0.306 0.000 1.077 249 F CA 0.581 58.517 58.000 -0.105 0.000 1.268 249 F CB 0.457 39.533 39.000 0.127 0.000 1.053 249 F HN 0.048 nan 8.300 nan 0.000 0.571 250 R N 3.804 123.548 120.500 -1.261 0.000 2.565 250 R HA 0.302 4.642 4.340 0.000 0.000 0.347 250 R C 0.598 176.108 176.300 -1.317 0.000 1.010 250 R CA 0.345 55.618 56.100 -1.378 0.000 1.126 250 R CB 0.013 28.981 30.300 -2.220 0.000 1.331 250 R HN 0.973 nan 8.270 nan 0.000 0.552 251 G N 1.333 109.030 108.800 -1.839 0.000 2.698 251 G HA2 -0.282 3.678 3.960 0.000 0.000 0.225 251 G HA3 -0.282 3.678 3.960 0.000 0.000 0.225 251 G C -0.901 173.621 174.900 -0.631 0.000 1.345 251 G CA -0.482 43.979 45.100 -1.066 0.000 0.871 251 G HN 0.198 nan 8.290 nan 0.000 0.540 252 L N 0.736 121.656 121.223 -0.505 0.000 2.319 252 L HA 0.695 5.035 4.340 0.000 0.000 0.280 252 L C 1.083 177.755 176.870 -0.329 0.000 1.099 252 L CA -0.216 54.248 54.840 -0.627 0.000 0.828 252 L CB 0.552 41.972 42.059 -1.065 0.000 1.150 252 L HN 0.606 nan 8.230 nan 0.000 0.442 253 M N 7.788 127.211 119.600 -0.293 0.000 2.228 253 M HA 0.275 4.755 4.480 0.000 0.000 0.351 253 M C -1.996 174.141 176.300 -0.272 0.000 1.233 253 M CA -1.515 53.602 55.300 -0.304 0.000 1.129 253 M CB 0.470 32.801 32.600 -0.448 0.000 1.604 253 M HN 0.492 nan 8.290 nan 0.000 0.457 254 P HA 0.104 nan 4.420 nan 0.000 0.275 254 P C -0.713 176.525 177.300 -0.103 0.000 1.227 254 P CA -0.223 62.791 63.100 -0.144 0.000 0.781 254 P CB 0.582 32.215 31.700 -0.112 0.000 0.906 255 A N 2.942 125.744 122.820 -0.030 0.000 2.900 255 A HA 0.425 4.745 4.320 0.000 0.000 0.246 255 A C 0.924 178.625 177.584 0.195 0.000 1.725 255 A CA 0.115 52.208 52.037 0.094 0.000 1.400 255 A CB -1.433 17.661 19.000 0.157 0.000 0.973 255 A HN 0.639 nan 8.150 nan 0.000 0.635 256 G N -0.772 108.108 108.800 0.133 0.000 2.566 256 G HA2 0.489 4.449 3.960 0.000 0.000 0.311 256 G HA3 0.489 4.449 3.960 0.000 0.000 0.311 256 G C 0.647 175.519 174.900 -0.047 0.000 1.322 256 G CA -0.642 44.471 45.100 0.021 0.000 0.969 256 G HN 0.181 nan 8.290 nan 0.000 0.490 257 I N 1.665 121.989 120.570 -0.409 0.000 2.099 257 I HA -0.262 3.908 4.170 0.000 0.000 0.239 257 I C 3.090 179.091 176.117 -0.193 0.000 1.066 257 I CA 1.881 62.893 61.300 -0.480 0.000 1.324 257 I CB -0.137 37.461 38.000 -0.670 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.710 123.394 122.820 -0.227 0.000 1.877 258 A HA -0.198 4.122 4.320 0.000 0.000 0.216 258 A C 2.558 180.064 177.584 -0.130 0.000 1.186 258 A CA 2.016 53.952 52.037 -0.169 0.000 0.620 258 A CB -1.028 17.864 19.000 -0.180 0.000 0.822 258 A HN 0.462 nan 8.150 nan 0.000 0.443 259 A N -0.121 122.622 122.820 -0.129 0.000 1.917 259 A HA -0.175 4.145 4.320 0.000 0.000 0.219 259 A C 2.154 179.628 177.584 -0.182 0.000 1.182 259 A CA 1.797 53.754 52.037 -0.134 0.000 0.633 259 A CB -0.646 18.281 19.000 -0.121 0.000 0.819 259 A HN 0.531 nan 8.150 nan 0.000 0.448 260 I N 0.374 120.842 120.570 -0.170 0.000 2.286 260 I HA -0.204 3.966 4.170 0.000 0.000 0.245 260 I C 2.818 178.818 176.117 -0.195 0.000 1.104 260 I CA 1.465 62.608 61.300 -0.262 0.000 1.397 260 I CB -0.278 37.568 38.000 -0.257 0.000 1.072 260 I HN 0.522 nan 8.210 nan 0.000 0.417 261 S N 0.145 115.799 115.700 -0.076 0.000 2.423 261 S HA -0.242 4.228 4.470 0.000 0.000 0.231 261 S C 1.896 176.454 174.600 -0.070 0.000 1.014 261 S CA 0.968 59.149 58.200 -0.033 0.000 0.965 261 S CB -0.300 62.900 63.200 0.001 0.000 0.785 261 S HN 0.345 nan 8.310 nan 0.000 0.495 262 Q N 1.087 120.826 119.800 -0.102 0.000 2.046 262 Q HA 0.102 4.442 4.340 0.000 0.000 0.200 262 Q C 1.970 177.904 176.000 -0.110 0.000 0.975 262 Q CA 1.199 56.947 55.803 -0.093 0.000 0.836 262 Q CB -0.809 27.871 28.738 -0.097 0.000 0.896 262 Q HN 0.456 nan 8.270 nan 0.000 0.428 263 L N -0.150 120.948 121.223 -0.209 0.000 2.042 263 L HA -0.130 4.210 4.340 0.000 0.000 0.210 263 L C 2.000 178.754 176.870 -0.192 0.000 1.076 263 L CA 1.650 56.301 54.840 -0.315 0.000 0.749 263 L CB -0.610 41.005 42.059 -0.739 0.000 0.893 263 L HN 0.314 nan 8.230 nan 0.000 0.432 264 L N -1.049 120.067 121.223 -0.179 0.000 2.554 264 L HA -0.021 4.319 4.340 0.000 0.000 0.226 264 L C 1.015 177.960 176.870 0.125 0.000 1.137 264 L CA -0.172 54.664 54.840 -0.007 0.000 0.863 264 L CB -0.409 41.611 42.059 -0.065 0.000 0.985 264 L HN 0.262 nan 8.230 nan 0.000 0.451 265 E N 0.529 120.753 120.200 0.040 0.000 2.452 265 E HA 0.116 4.467 4.350 0.000 0.000 0.261 265 E C 1.128 177.717 176.600 -0.018 0.000 0.987 265 E CA 0.839 57.247 56.400 0.015 0.000 0.926 265 E CB 0.407 30.099 29.700 -0.015 0.000 0.934 265 E HN 0.293 nan 8.360 nan 0.000 0.452 266 G N 4.076 112.844 108.800 -0.052 0.000 2.234 266 G HA2 -0.219 3.741 3.960 0.000 0.000 0.235 266 G HA3 -0.219 3.741 3.960 0.000 0.000 0.235 266 G C -0.111 174.647 174.900 -0.238 0.000 0.997 266 G CA 0.051 45.060 45.100 -0.151 0.000 0.623 266 G HN 0.709 nan 8.290 nan 0.000 0.514 267 H N 1.846 120.925 119.070 0.015 0.000 2.594 267 H HA 0.261 4.817 4.556 0.000 0.000 0.304 267 H C 1.188 176.527 175.328 0.018 0.000 1.068 267 H CA 0.247 56.309 56.048 0.023 0.000 1.308 267 H CB 1.430 31.212 29.762 0.034 0.000 1.409 267 H HN 0.470 nan 8.280 nan 0.000 0.460 268 D N 2.424 122.883 120.400 0.099 0.000 2.178 268 D HA -0.087 4.553 4.640 0.000 0.000 0.202 268 D C 0.476 176.818 176.300 0.069 0.000 0.974 268 D CA 0.581 54.620 54.000 0.064 0.000 0.841 268 D CB 0.381 41.205 40.800 0.040 0.000 0.953 268 D HN 0.110 nan 8.370 nan 0.000 0.478 269 V N 1.090 121.056 119.914 0.087 0.000 2.525 269 V HA 0.292 4.412 4.120 0.000 0.000 0.299 269 V C -0.521 175.610 176.094 0.062 0.000 1.034 269 V CA -0.979 61.358 62.300 0.062 0.000 0.863 269 V CB 2.505 34.355 31.823 0.045 0.000 0.999 269 V HN -0.076 nan 8.190 nan 0.000 0.423 270 V N 6.095 126.037 119.914 0.047 0.000 2.357 270 V HA 0.447 4.567 4.120 0.000 0.000 0.284 270 V C -0.395 175.714 176.094 0.024 0.000 1.018 270 V CA -0.559 61.759 62.300 0.031 0.000 0.841 270 V CB 1.621 33.472 31.823 0.046 0.000 0.991 270 V HN 0.657 nan 8.190 nan 0.000 0.437 271 L N 7.531 128.762 121.223 0.014 0.000 2.265 271 L HA 0.604 4.944 4.340 0.000 0.000 0.289 271 L C -0.329 176.551 176.870 0.017 0.000 1.033 271 L CA 0.227 55.072 54.840 0.010 0.000 0.814 271 L CB 1.400 43.462 42.059 0.005 0.000 1.203 271 L HN 0.437 nan 8.230 nan 0.000 0.423 272 V N 6.891 126.816 119.914 0.019 0.000 2.427 272 V HA 0.497 4.617 4.120 0.000 0.000 0.286 272 V C 0.160 176.263 176.094 0.015 0.000 1.034 272 V CA -0.411 61.912 62.300 0.038 0.000 0.893 272 V CB 1.422 33.272 31.823 0.045 0.000 0.982 272 V HN 0.599 nan 8.190 nan 0.000 0.452 273 I N 3.165 123.750 120.570 0.025 0.000 2.498 273 I HA 0.583 4.754 4.170 0.000 0.000 0.290 273 I C 0.991 177.127 176.117 0.033 0.000 1.032 273 I CA -0.590 60.722 61.300 0.020 0.000 1.073 273 I CB 1.855 39.868 38.000 0.022 0.000 1.251 273 I HN 0.825 nan 8.210 nan 0.000 0.426 274 G N 4.521 113.336 108.800 0.025 0.000 2.323 274 G HA2 -0.014 3.946 3.960 0.000 0.000 0.292 274 G HA3 -0.014 3.946 3.960 0.000 0.000 0.292 274 G C -0.066 174.871 174.900 0.061 0.000 1.040 274 G CA 0.450 45.574 45.100 0.041 0.000 0.942 274 G HN 1.092 nan 8.290 nan 0.000 0.506 275 A N -0.894 121.954 122.820 0.047 0.000 2.606 275 A HA 0.926 5.246 4.320 0.000 0.000 0.293 275 A C -2.952 174.641 177.584 0.015 0.000 1.082 275 A CA -1.312 50.757 52.037 0.052 0.000 0.685 275 A CB 1.731 20.776 19.000 0.076 0.000 1.284 275 A HN 0.104 nan 8.150 nan 0.000 0.408 276 P HA 0.412 nan 4.420 nan 0.000 0.277 276 P C -0.779 176.438 177.300 -0.138 0.000 1.240 276 P CA -0.264 62.803 63.100 -0.056 0.000 0.798 276 P CB 1.043 32.719 31.700 -0.039 0.000 0.979 277 V N 3.712 123.434 119.914 -0.320 0.000 2.257 277 V HA 0.396 4.516 4.120 0.000 0.000 0.269 277 V C -0.457 175.280 176.094 -0.595 0.000 1.040 277 V CA 0.050 61.869 62.300 -0.801 0.000 0.813 277 V CB -1.177 30.143 31.823 -0.838 0.000 1.065 277 V HN 0.461 nan 8.190 nan 0.000 0.457 278 F N 1.994 121.677 119.950 -0.444 0.000 2.599 278 F HA 0.562 5.089 4.527 0.000 0.000 0.311 278 F C 0.463 175.885 175.800 -0.631 0.000 1.076 278 F CA -1.303 56.343 58.000 -0.589 0.000 0.937 278 F CB 2.200 40.678 39.000 -0.869 0.000 1.282 278 F HN 0.154 nan 8.300 nan 0.000 0.460 279 R N 2.438 122.849 120.500 -0.148 0.000 3.688 279 R HA 0.194 4.534 4.340 0.000 0.000 0.194 279 R C -1.273 174.997 176.300 -0.050 0.000 1.677 279 R CA 0.021 56.071 56.100 -0.083 0.000 1.351 279 R CB -1.123 29.165 30.300 -0.020 0.000 1.338 279 R HN 0.435 nan 8.270 nan 0.000 0.731 280 Y N 0.604 120.981 120.300 0.129 0.000 2.335 280 Y HA 0.009 4.559 4.550 0.000 0.000 0.348 280 Y C 1.558 177.542 175.900 0.140 0.000 1.280 280 Y CA 0.192 58.366 58.100 0.124 0.000 1.504 280 Y CB 0.453 39.000 38.460 0.146 0.000 1.366 280 Y HN 0.491 nan 8.280 nan 0.000 0.621 281 H N -0.337 118.860 119.070 0.211 0.000 3.539 281 H HA 0.073 4.629 4.556 0.000 0.000 0.134 281 H C -0.091 175.279 175.328 0.071 0.000 1.139 281 H CA 0.406 56.517 56.048 0.105 0.000 1.031 281 H CB -0.034 29.761 29.762 0.055 0.000 1.174 281 H HN 0.675 nan 8.280 nan 0.000 0.297 282 Q N 1.145 121.042 119.800 0.161 0.000 2.454 282 Q HA -0.047 4.293 4.340 0.000 0.000 0.247 282 Q C -0.797 175.290 176.000 0.145 0.000 1.028 282 Q CA -0.217 55.605 55.803 0.031 0.000 0.910 282 Q CB 0.459 29.152 28.738 -0.075 0.000 1.276 282 Q HN 0.462 nan 8.270 nan 0.000 0.489 283 Y N 1.614 121.930 120.300 0.026 0.000 2.585 283 Y HA 0.174 4.724 4.550 0.000 0.000 0.354 283 Y C -0.906 174.984 175.900 -0.017 0.000 1.024 283 Y CA -0.766 57.342 58.100 0.013 0.000 1.321 283 Y CB 0.367 38.854 38.460 0.045 0.000 1.151 283 Y HN 0.728 nan 8.280 nan 0.000 0.525 284 D N 8.956 129.120 120.400 -0.394 0.000 2.607 284 D HA 0.261 4.901 4.640 0.000 0.000 0.318 284 D C -2.878 173.106 176.300 -0.527 0.000 1.212 284 D CA -2.197 51.571 54.000 -0.388 0.000 0.861 284 D CB 0.600 41.277 40.800 -0.205 0.000 1.064 284 D HN 0.252 nan 8.370 nan 0.000 0.500 285 P HA 0.316 nan 4.420 nan 0.000 0.265 285 P C 0.448 177.521 177.300 -0.379 0.000 1.187 285 P CA 0.425 63.152 63.100 -0.621 0.000 0.766 285 P CB 1.461 32.772 31.700 -0.650 0.000 0.820 286 G N 1.807 110.400 108.800 -0.345 0.000 2.399 286 G HA2 0.099 4.059 3.960 0.000 0.000 0.256 286 G HA3 0.099 4.059 3.960 0.000 0.000 0.256 286 G C -1.633 173.091 174.900 -0.293 0.000 1.236 286 G CA -0.654 44.289 45.100 -0.261 0.000 0.914 286 G HN 0.474 nan 8.290 nan 0.000 0.482 287 Q N -0.494 119.181 119.800 -0.207 0.000 2.259 287 Q HA 0.456 4.796 4.340 0.000 0.000 0.249 287 Q C 0.288 176.216 176.000 -0.121 0.000 0.914 287 Q CA -0.542 55.160 55.803 -0.169 0.000 0.904 287 Q CB 1.765 30.460 28.738 -0.071 0.000 1.213 287 Q HN 0.565 nan 8.270 nan 0.000 0.428 288 Y N 1.168 121.470 120.300 0.003 0.000 2.242 288 Y HA -0.080 4.470 4.550 0.000 0.000 0.291 288 Y C 0.557 176.507 175.900 0.083 0.000 1.137 288 Y CA 0.550 58.688 58.100 0.064 0.000 1.181 288 Y CB 0.528 39.030 38.460 0.071 0.000 0.989 288 Y HN 0.372 nan 8.280 nan 0.000 0.527 289 L N 0.117 121.457 121.223 0.195 0.000 2.472 289 L HA 0.326 4.666 4.340 0.000 0.000 0.260 289 L C -0.840 176.068 176.870 0.062 0.000 0.963 289 L CA -1.230 53.682 54.840 0.121 0.000 0.829 289 L CB 1.973 44.103 42.059 0.117 0.000 1.348 289 L HN -0.249 nan 8.230 nan 0.000 0.408 290 K N 1.857 122.278 120.400 0.036 0.000 2.202 290 K HA 0.371 4.691 4.320 0.000 0.000 0.264 290 K C -2.367 174.245 176.600 0.020 0.000 1.010 290 K CA -1.693 54.603 56.287 0.014 0.000 0.940 290 K CB 0.629 33.129 32.500 0.000 0.000 0.983 290 K HN 0.197 nan 8.250 nan 0.000 0.475 291 P HA -0.021 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 0.854 63.961 63.100 0.012 0.000 0.766 291 P CB 0.414 32.117 31.700 0.004 0.000 0.820 292 G N 1.129 109.938 108.800 0.014 0.000 2.213 292 G HA2 -0.187 3.773 3.960 0.000 0.000 0.236 292 G HA3 -0.187 3.773 3.960 0.000 0.000 0.236 292 G C 0.211 175.126 174.900 0.025 0.000 0.991 292 G CA -0.005 45.103 45.100 0.013 0.000 0.629 292 G HN 0.624 nan 8.290 nan 0.000 0.517 293 T N 1.406 115.980 114.554 0.034 0.000 2.794 293 T HA 0.619 4.969 4.350 0.000 0.000 0.280 293 T C 0.023 174.750 174.700 0.045 0.000 0.987 293 T CA -0.349 61.781 62.100 0.051 0.000 0.993 293 T CB 1.876 70.783 68.868 0.064 0.000 0.939 293 T HN 0.530 nan 8.240 nan 0.000 0.449 294 R N 3.610 124.136 120.500 0.043 0.000 2.562 294 R HA 0.692 5.032 4.340 0.000 0.000 0.298 294 R C -1.497 174.820 176.300 0.028 0.000 0.961 294 R CA -0.764 55.353 56.100 0.029 0.000 0.881 294 R CB 1.134 31.448 30.300 0.023 0.000 1.159 294 R HN 0.591 nan 8.270 nan 0.000 0.450 295 L N 5.495 126.724 121.223 0.011 0.000 2.346 295 L HA 0.603 4.943 4.340 0.000 0.000 0.274 295 L C -1.313 175.543 176.870 -0.024 0.000 1.007 295 L CA -0.770 54.070 54.840 -0.001 0.000 0.818 295 L CB 1.644 43.695 42.059 -0.015 0.000 1.284 295 L HN 0.666 nan 8.230 nan 0.000 0.424 296 I N 3.669 124.226 120.570 -0.022 0.000 2.447 296 I HA 0.315 4.485 4.170 0.000 0.000 0.287 296 I C -0.579 175.514 176.117 -0.040 0.000 1.023 296 I CA -0.322 60.961 61.300 -0.029 0.000 1.083 296 I CB 2.079 40.071 38.000 -0.014 0.000 1.245 296 I HN 0.520 nan 8.210 nan 0.000 0.434 297 S N 5.694 121.359 115.700 -0.060 0.000 2.454 297 S HA 0.652 5.122 4.470 0.000 0.000 0.306 297 S C -0.799 173.773 174.600 -0.048 0.000 1.100 297 S CA -0.470 57.690 58.200 -0.067 0.000 1.087 297 S CB 1.357 64.489 63.200 -0.115 0.000 1.019 297 S HN 0.326 nan 8.310 nan 0.000 0.480 298 V N 4.814 124.709 119.914 -0.033 0.000 2.313 298 V HA 0.548 4.668 4.120 0.000 0.000 0.278 298 V C 0.395 176.474 176.094 -0.026 0.000 1.017 298 V CA -0.469 61.816 62.300 -0.026 0.000 0.823 298 V CB 0.969 32.784 31.823 -0.013 0.000 1.010 298 V HN 0.943 nan 8.190 nan 0.000 0.443 299 T N 3.177 117.709 114.554 -0.035 0.000 2.916 299 T HA 0.289 4.639 4.350 0.000 0.000 0.292 299 T C 0.848 175.515 174.700 -0.055 0.000 1.055 299 T CA -0.088 61.990 62.100 -0.037 0.000 1.009 299 T CB 1.478 70.323 68.868 -0.038 0.000 1.118 299 T HN 0.823 nan 8.240 nan 0.000 0.497 300 C N 1.381 120.630 119.300 -0.085 0.000 2.791 300 C HA 0.492 4.952 4.460 0.000 0.000 0.270 300 C C 0.374 175.261 174.990 -0.170 0.000 1.257 300 C CA -0.526 58.412 59.018 -0.133 0.000 1.699 300 C CB -1.187 26.442 27.740 -0.186 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.188 121.512 120.400 -0.128 0.000 2.481 301 D HA 0.362 5.002 4.640 0.000 0.000 0.246 301 D C -1.936 174.339 176.300 -0.041 0.000 1.109 301 D CA -1.776 52.166 54.000 -0.098 0.000 0.845 301 D CB 2.160 42.943 40.800 -0.029 0.000 1.160 301 D HN -0.090 nan 8.370 nan 0.000 0.534 302 P HA -0.082 nan 4.420 nan 0.000 0.216 302 P C 1.750 179.052 177.300 0.003 0.000 1.150 302 P CA 0.813 63.904 63.100 -0.015 0.000 0.843 302 P CB 0.395 32.091 31.700 -0.006 0.000 0.787 303 L N -0.796 120.442 121.223 0.026 0.000 2.131 303 L HA -0.190 4.150 4.340 0.000 0.000 0.210 303 L C 2.345 179.234 176.870 0.032 0.000 1.092 303 L CA 1.529 56.401 54.840 0.053 0.000 0.759 303 L CB -0.700 41.426 42.059 0.112 0.000 0.903 303 L HN 0.074 nan 8.230 nan 0.000 0.435 304 E N -0.086 120.124 120.200 0.016 0.000 2.046 304 E HA -0.152 4.199 4.350 0.000 0.000 0.190 304 E C 2.320 178.893 176.600 -0.045 0.000 0.982 304 E CA 0.992 57.386 56.400 -0.010 0.000 0.800 304 E CB -0.081 29.618 29.700 -0.000 0.000 0.756 304 E HN 0.459 nan 8.360 nan 0.000 0.449 305 A N 1.237 124.031 122.820 -0.043 0.000 1.972 305 A HA -0.116 4.204 4.320 0.000 0.000 0.219 305 A C 2.299 179.851 177.584 -0.054 0.000 1.169 305 A CA 1.646 53.648 52.037 -0.057 0.000 0.635 305 A CB -0.509 18.463 19.000 -0.046 0.000 0.810 305 A HN 0.302 nan 8.150 nan 0.000 0.446 306 A N 0.802 123.603 122.820 -0.032 0.000 1.898 306 A HA -0.130 4.190 4.320 0.000 0.000 0.216 306 A C 2.173 179.736 177.584 -0.034 0.000 1.181 306 A CA 1.511 53.533 52.037 -0.025 0.000 0.620 306 A CB -0.434 18.564 19.000 -0.003 0.000 0.819 306 A HN 0.693 nan 8.150 nan 0.000 0.442 307 R N -0.353 120.127 120.500 -0.033 0.000 2.299 307 R HA 0.419 4.759 4.340 0.000 0.000 0.197 307 R C 0.749 176.995 176.300 -0.090 0.000 0.971 307 R CA 0.562 56.639 56.100 -0.039 0.000 1.030 307 R CB -0.534 29.761 30.300 -0.008 0.000 0.932 307 R HN 0.273 nan 8.270 nan 0.000 0.477 308 A N 3.640 126.384 122.820 -0.126 0.000 2.545 308 A HA 0.133 4.453 4.320 0.000 0.000 0.253 308 A C -1.412 176.036 177.584 -0.226 0.000 1.074 308 A CA -1.147 50.765 52.037 -0.208 0.000 0.760 308 A CB 0.153 19.020 19.000 -0.222 0.000 1.005 308 A HN 0.297 nan 8.150 nan 0.000 0.506 309 P HA 0.025 nan 4.420 nan 0.000 0.245 309 P C -0.146 176.933 177.300 -0.368 0.000 1.212 309 P CA 0.778 63.624 63.100 -0.424 0.000 0.774 309 P CB -0.128 31.054 31.700 -0.864 0.000 0.999 310 M N -3.027 116.397 119.600 -0.294 0.000 2.833 310 M HA 0.573 5.053 4.480 0.000 0.000 0.270 310 M C -0.477 175.735 176.300 -0.147 0.000 1.209 310 M CA -0.025 55.171 55.300 -0.173 0.000 0.826 310 M CB 1.081 33.607 32.600 -0.123 0.000 1.657 310 M HN 0.034 nan 8.290 nan 0.000 0.492 311 G N 1.602 110.350 108.800 -0.087 0.000 2.829 311 G HA2 -0.064 3.896 3.960 0.000 0.000 0.628 311 G HA3 -0.064 3.896 3.960 0.000 0.000 0.628 311 G C -1.328 173.529 174.900 -0.072 0.000 1.412 311 G CA -0.093 44.963 45.100 -0.074 0.000 0.864 311 G HN 1.022 nan 8.290 nan 0.000 0.544 312 D N 0.034 120.400 120.400 -0.056 0.000 2.388 312 D HA 0.752 5.392 4.640 0.000 0.000 0.254 312 D C 0.676 176.941 176.300 -0.059 0.000 1.111 312 D CA 0.883 54.854 54.000 -0.048 0.000 0.993 312 D CB 1.643 42.424 40.800 -0.032 0.000 1.118 312 D HN 1.294 nan 8.370 nan 0.000 0.502 313 A N 0.373 123.162 122.820 -0.051 0.000 2.572 313 A HA 0.702 5.022 4.320 0.000 0.000 0.295 313 A C -1.253 176.307 177.584 -0.039 0.000 1.072 313 A CA -0.621 51.385 52.037 -0.053 0.000 0.691 313 A CB 1.241 20.202 19.000 -0.064 0.000 1.291 313 A HN 0.453 nan 8.150 nan 0.000 0.404 314 I N 1.516 122.064 120.570 -0.037 0.000 2.478 314 I HA 0.349 4.519 4.170 0.000 0.000 0.287 314 I C -0.925 175.173 176.117 -0.033 0.000 1.042 314 I CA -0.884 60.398 61.300 -0.030 0.000 1.067 314 I CB 2.136 40.122 38.000 -0.024 0.000 1.233 314 I HN 0.309 nan 8.210 nan 0.000 0.431 315 V N 5.952 125.846 119.914 -0.032 0.000 2.348 315 V HA 0.815 4.935 4.120 0.000 0.000 0.270 315 V C 0.378 176.450 176.094 -0.036 0.000 1.037 315 V CA -0.009 62.268 62.300 -0.038 0.000 0.872 315 V CB 0.534 32.335 31.823 -0.037 0.000 1.002 315 V HN 0.900 nan 8.190 nan 0.000 0.464 316 A N 3.757 126.554 122.820 -0.039 0.000 2.493 316 A HA 0.634 4.954 4.320 0.000 0.000 0.300 316 A C -1.185 176.375 177.584 -0.039 0.000 1.152 316 A CA -0.747 51.270 52.037 -0.034 0.000 0.643 316 A CB 0.949 19.935 19.000 -0.024 0.000 1.316 316 A HN 0.660 nan 8.150 nan 0.000 0.469 317 D N 0.190 120.572 120.400 -0.031 0.000 2.383 317 D HA 0.318 4.958 4.640 0.000 0.000 0.252 317 D C 1.124 177.412 176.300 -0.019 0.000 1.166 317 D CA -0.353 53.630 54.000 -0.029 0.000 0.879 317 D CB 0.338 41.128 40.800 -0.017 0.000 1.164 317 D HN 0.279 nan 8.370 nan 0.000 0.462 318 I N 3.777 124.335 120.570 -0.020 0.000 2.286 318 I HA -0.088 4.082 4.170 0.000 0.000 0.248 318 I C 2.243 178.363 176.117 0.006 0.000 1.115 318 I CA 1.152 62.449 61.300 -0.005 0.000 1.392 318 I CB -1.567 36.435 38.000 0.002 0.000 1.065 318 I HN 0.661 nan 8.210 nan 0.000 0.418 319 G N 0.691 109.495 108.800 0.006 0.000 2.433 319 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 319 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 319 G C 1.886 176.791 174.900 0.010 0.000 1.186 319 G CA 1.074 46.181 45.100 0.012 0.000 0.779 319 G HN 0.477 nan 8.290 nan 0.000 0.543 320 A N 0.456 123.280 122.820 0.005 0.000 1.883 320 A HA -0.038 4.282 4.320 0.000 0.000 0.217 320 A C 2.468 180.055 177.584 0.004 0.000 1.186 320 A CA 2.187 54.227 52.037 0.004 0.000 0.624 320 A CB -0.369 18.631 19.000 0.001 0.000 0.822 320 A HN 0.303 nan 8.150 nan 0.000 0.444 321 M N -0.550 119.051 119.600 0.002 0.000 2.099 321 M HA -0.091 4.389 4.480 0.000 0.000 0.262 321 M C 2.583 178.888 176.300 0.009 0.000 1.067 321 M CA 1.607 56.909 55.300 0.003 0.000 1.124 321 M CB -1.608 30.992 32.600 -0.001 0.000 1.353 321 M HN 0.487 nan 8.290 nan 0.000 0.410 322 A N -0.320 122.508 122.820 0.014 0.000 1.883 322 A HA -0.198 4.122 4.320 0.000 0.000 0.217 322 A C 2.507 180.104 177.584 0.021 0.000 1.186 322 A CA 2.548 54.599 52.037 0.022 0.000 0.624 322 A CB -1.072 17.946 19.000 0.029 0.000 0.822 322 A HN 0.518 nan 8.150 nan 0.000 0.444 323 S N -0.472 115.238 115.700 0.016 0.000 2.348 323 S HA -0.064 4.406 4.470 0.000 0.000 0.221 323 S C 2.244 176.851 174.600 0.013 0.000 1.033 323 S CA 1.824 60.033 58.200 0.014 0.000 1.010 323 S CB -0.640 62.566 63.200 0.011 0.000 0.891 323 S HN 0.931 nan 8.310 nan 0.000 0.442 324 A N 1.657 124.483 122.820 0.010 0.000 1.873 324 A HA -0.048 4.272 4.320 0.000 0.000 0.218 324 A C 2.318 179.908 177.584 0.010 0.000 1.193 324 A CA 1.828 53.870 52.037 0.008 0.000 0.629 324 A CB -1.070 17.933 19.000 0.005 0.000 0.826 324 A HN 0.598 nan 8.150 nan 0.000 0.447 325 L N -0.918 120.312 121.223 0.012 0.000 2.017 325 L HA -0.216 4.124 4.340 0.000 0.000 0.208 325 L C 3.113 179.994 176.870 0.018 0.000 1.073 325 L CA 1.141 55.989 54.840 0.014 0.000 0.745 325 L CB -0.615 41.453 42.059 0.014 0.000 0.894 325 L HN 0.454 nan 8.230 nan 0.000 0.432 326 A N 0.133 122.966 122.820 0.021 0.000 1.978 326 A HA -0.191 4.129 4.320 0.000 0.000 0.220 326 A C 1.832 179.429 177.584 0.021 0.000 1.170 326 A CA 1.857 53.909 52.037 0.025 0.000 0.636 326 A CB -0.465 18.551 19.000 0.027 0.000 0.810 326 A HN 0.517 nan 8.150 nan 0.000 0.448 327 N N -0.915 117.795 118.700 0.016 0.000 2.280 327 N HA 0.191 4.931 4.740 0.000 0.000 0.192 327 N C 1.105 176.622 175.510 0.012 0.000 1.109 327 N CA 0.404 53.462 53.050 0.014 0.000 0.855 327 N CB 0.391 38.885 38.487 0.011 0.000 0.974 327 N HN 0.486 nan 8.380 nan 0.000 0.482 328 L N 0.237 121.467 121.223 0.013 0.000 2.577 328 L HA 0.186 4.526 4.340 0.000 0.000 0.225 328 L C 0.672 177.549 176.870 0.013 0.000 1.053 328 L CA 0.034 54.881 54.840 0.011 0.000 0.866 328 L CB 0.104 42.168 42.059 0.009 0.000 1.132 328 L HN -0.107 nan 8.230 nan 0.000 0.486 329 V N -0.754 119.169 119.914 0.015 0.000 2.872 329 V HA 0.078 4.198 4.120 0.000 0.000 0.307 329 V C 0.173 176.277 176.094 0.018 0.000 1.072 329 V CA -0.731 61.580 62.300 0.017 0.000 1.148 329 V CB 0.265 32.100 31.823 0.020 0.000 0.954 329 V HN 0.194 nan 8.190 nan 0.000 0.490 330 E N 1.595 121.806 120.200 0.018 0.000 2.349 330 E HA 0.297 4.647 4.350 0.000 0.000 0.262 330 E C -0.364 176.248 176.600 0.021 0.000 1.088 330 E CA -0.533 55.877 56.400 0.018 0.000 0.899 330 E CB 0.888 30.597 29.700 0.016 0.000 1.044 330 E HN 0.907 nan 8.360 nan 0.000 0.420 331 E N 1.488 121.700 120.200 0.021 0.000 2.166 331 E HA 0.029 4.379 4.350 0.000 0.000 0.279 331 E C -0.675 175.939 176.600 0.024 0.000 1.095 331 E CA -0.082 56.332 56.400 0.024 0.000 0.888 331 E CB 0.598 30.311 29.700 0.022 0.000 1.041 331 E HN 0.323 nan 8.360 nan 0.000 0.414 332 S N 3.071 118.787 115.700 0.027 0.000 2.572 332 S HA 0.035 4.505 4.470 0.000 0.000 0.279 332 S C 1.031 175.646 174.600 0.024 0.000 1.341 332 S CA 0.121 58.337 58.200 0.026 0.000 1.043 332 S CB 0.561 63.779 63.200 0.030 0.000 0.887 332 S HN 0.657 nan 8.310 nan 0.000 0.516 333 S N 4.014 119.726 115.700 0.020 0.000 2.562 333 S HA 0.173 4.643 4.470 0.000 0.000 0.221 333 S C 0.727 175.338 174.600 0.019 0.000 0.975 333 S CA -0.286 57.925 58.200 0.018 0.000 0.918 333 S CB -0.148 63.061 63.200 0.014 0.000 0.772 333 S HN 0.708 nan 8.310 nan 0.000 0.531 334 R N 1.547 122.061 120.500 0.022 0.000 2.827 334 R HA 0.171 4.511 4.340 0.000 0.000 0.269 334 R C 0.083 176.398 176.300 0.024 0.000 1.048 334 R CA -0.100 56.014 56.100 0.023 0.000 1.173 334 R CB 0.197 30.514 30.300 0.029 0.000 1.070 334 R HN 0.356 nan 8.270 nan 0.000 0.498 335 Q N 1.627 121.440 119.800 0.022 0.000 2.332 335 Q HA 0.056 4.396 4.340 0.000 0.000 0.263 335 Q C -0.231 175.786 176.000 0.028 0.000 0.979 335 Q CA -0.323 55.493 55.803 0.021 0.000 0.885 335 Q CB 0.813 29.561 28.738 0.015 0.000 1.218 335 Q HN 0.285 nan 8.270 nan 0.000 0.405 336 L N 5.073 126.314 121.223 0.030 0.000 2.453 336 L HA 0.159 4.499 4.340 0.000 0.000 0.272 336 L C -2.111 174.781 176.870 0.036 0.000 1.182 336 L CA -0.821 54.045 54.840 0.043 0.000 0.858 336 L CB 0.048 42.131 42.059 0.040 0.000 1.120 336 L HN 0.426 nan 8.230 nan 0.000 0.474 337 P HA 0.056 nan 4.420 nan 0.000 0.266 337 P C -0.968 176.343 177.300 0.018 0.000 1.193 337 P CA 0.023 63.140 63.100 0.029 0.000 0.770 337 P CB 0.271 31.986 31.700 0.025 0.000 0.836 338 T N 1.755 116.311 114.554 0.004 0.000 2.869 338 T HA 0.434 4.784 4.350 0.000 0.000 0.295 338 T C 0.337 175.034 174.700 -0.006 0.000 0.987 338 T CA -0.326 61.772 62.100 -0.004 0.000 1.109 338 T CB 0.562 69.426 68.868 -0.006 0.000 0.932 338 T HN 0.462 nan 8.240 nan 0.000 0.518 339 A N 2.624 125.441 122.820 -0.005 0.000 2.531 339 A HA 0.539 4.859 4.320 0.000 0.000 0.236 339 A C 0.860 178.442 177.584 -0.003 0.000 1.062 339 A CA -0.444 51.597 52.037 0.007 0.000 0.760 339 A CB -0.245 18.755 19.000 0.001 0.000 0.995 339 A HN 1.081 nan 8.150 nan 0.000 0.501 340 A N 3.779 126.598 122.820 -0.003 0.000 2.445 340 A HA 0.544 4.864 4.320 0.000 0.000 0.242 340 A C -1.408 176.175 177.584 -0.001 0.000 1.075 340 A CA -0.879 51.146 52.037 -0.020 0.000 0.777 340 A CB -0.530 18.445 19.000 -0.041 0.000 1.013 340 A HN 0.802 nan 8.150 nan 0.000 0.493 341 P HA 0.164 nan 4.420 nan 0.000 0.274 341 P C -0.481 176.823 177.300 0.006 0.000 1.231 341 P CA -0.363 62.737 63.100 -0.000 0.000 0.790 341 P CB 0.556 32.254 31.700 -0.003 0.000 0.951 342 E N 2.358 122.563 120.200 0.008 0.000 2.413 342 E HA 0.096 4.447 4.350 0.000 0.000 0.263 342 E C -1.537 175.070 176.600 0.010 0.000 1.015 342 E CA -0.932 55.475 56.400 0.012 0.000 0.916 342 E CB -0.287 29.419 29.700 0.010 0.000 0.947 342 E HN 0.442 nan 8.360 nan 0.000 0.440 343 P HA 0.077 nan 4.420 nan 0.000 0.269 343 P C -0.694 176.612 177.300 0.010 0.000 1.215 343 P CA -0.272 62.835 63.100 0.011 0.000 0.780 343 P CB 0.590 32.299 31.700 0.016 0.000 0.898 344 A N 2.725 125.549 122.820 0.006 0.000 2.425 344 A HA 0.133 4.453 4.320 0.000 0.000 0.242 344 A C 0.588 178.174 177.584 0.003 0.000 1.077 344 A CA -0.162 51.876 52.037 0.002 0.000 0.781 344 A CB -0.072 18.926 19.000 -0.003 0.000 1.020 344 A HN 0.522 nan 8.150 nan 0.000 0.494 345 K N 2.765 123.166 120.400 0.002 0.000 2.285 345 K HA 0.357 4.677 4.320 0.000 0.000 0.286 345 K C -0.626 175.966 176.600 -0.014 0.000 1.072 345 K CA -0.122 56.167 56.287 0.003 0.000 0.913 345 K CB 0.416 32.920 32.500 0.007 0.000 1.067 345 K HN 0.440 nan 8.250 nan 0.000 0.479 346 V N 3.710 123.607 119.914 -0.029 0.000 2.811 346 V HA -0.023 4.097 4.120 0.000 0.000 0.302 346 V C 0.496 176.543 176.094 -0.077 0.000 1.063 346 V CA -0.316 61.934 62.300 -0.082 0.000 1.088 346 V CB 0.781 32.514 31.823 -0.149 0.000 0.982 346 V HN 0.713 nan 8.190 nan 0.000 0.485 347 D N 2.843 123.183 120.400 -0.100 0.000 2.455 347 D HA 0.260 4.900 4.640 0.000 0.000 0.241 347 D C -0.059 176.243 176.300 0.004 0.000 1.138 347 D CA 0.350 54.325 54.000 -0.041 0.000 0.877 347 D CB 1.002 41.785 40.800 -0.028 0.000 1.187 347 D HN 0.529 nan 8.370 nan 0.000 0.451 348 Q N 2.210 122.054 119.800 0.074 0.000 2.350 348 Q HA 0.207 4.548 4.340 0.000 0.000 0.255 348 Q C -1.325 174.733 176.000 0.096 0.000 0.951 348 Q CA -0.758 55.137 55.803 0.153 0.000 0.751 348 Q CB 0.976 29.792 28.738 0.131 0.000 1.296 348 Q HN 0.382 nan 8.270 nan 0.000 0.453 349 D N 1.865 122.322 120.400 0.096 0.000 2.376 349 D HA 0.341 4.981 4.640 0.000 0.000 0.268 349 D C 0.312 176.634 176.300 0.035 0.000 1.252 349 D CA -0.004 54.028 54.000 0.054 0.000 1.041 349 D CB 0.402 41.231 40.800 0.048 0.000 1.109 349 D HN 0.431 nan 8.370 nan 0.000 0.552 350 A N -1.131 121.703 122.820 0.023 0.000 2.302 350 A HA 0.464 4.784 4.320 0.000 0.000 0.219 350 A C 1.002 178.589 177.584 0.005 0.000 1.243 350 A CA 0.400 52.446 52.037 0.014 0.000 0.856 350 A CB -1.108 17.899 19.000 0.013 0.000 0.893 350 A HN 0.535 nan 8.150 nan 0.000 0.491 351 G N -0.619 108.180 108.800 -0.002 0.000 2.849 351 G HA2 0.430 4.390 3.960 0.000 0.000 0.174 351 G HA3 0.430 4.390 3.960 0.000 0.000 0.174 351 G C -0.030 174.846 174.900 -0.039 0.000 1.370 351 G CA -1.040 44.050 45.100 -0.017 0.000 1.040 351 G HN 0.430 nan 8.290 nan 0.000 0.582 352 R N -0.741 119.724 120.500 -0.060 0.000 2.697 352 R HA 0.135 4.475 4.340 0.000 0.000 0.265 352 R C -0.620 175.595 176.300 -0.141 0.000 1.009 352 R CA -0.069 55.980 56.100 -0.085 0.000 1.099 352 R CB 0.066 30.312 30.300 -0.090 0.000 0.965 352 R HN 0.138 nan 8.270 nan 0.000 0.428 353 L N 2.645 123.796 121.223 -0.120 0.000 2.375 353 L HA 0.204 4.544 4.340 0.000 0.000 0.271 353 L C 0.681 177.447 176.870 -0.172 0.000 1.107 353 L CA -0.093 54.675 54.840 -0.119 0.000 0.806 353 L CB 0.523 42.542 42.059 -0.066 0.000 1.146 353 L HN 0.369 nan 8.230 nan 0.000 0.447 354 H N 2.085 121.138 119.070 -0.028 0.000 2.525 354 H HA 0.158 4.714 4.556 0.000 0.000 0.339 354 H C -1.644 173.649 175.328 -0.059 0.000 1.109 354 H CA -1.604 54.431 56.048 -0.023 0.000 1.352 354 H CB 1.421 31.181 29.762 -0.003 0.000 1.461 354 H HN 0.375 nan 8.280 nan 0.000 0.533 355 P HA -0.178 nan 4.420 nan 0.000 0.216 355 P C 1.053 178.319 177.300 -0.057 0.000 1.153 355 P CA 1.412 64.465 63.100 -0.078 0.000 0.858 355 P CB 0.459 32.211 31.700 0.087 0.000 0.789 356 E N -1.093 119.191 120.200 0.141 0.000 2.070 356 E HA -0.172 4.178 4.350 0.000 0.000 0.197 356 E C 2.011 178.673 176.600 0.105 0.000 1.004 356 E CA 1.893 58.403 56.400 0.182 0.000 0.805 356 E CB -1.551 28.212 29.700 0.104 0.000 0.744 356 E HN 0.239 nan 8.360 nan 0.000 0.451 357 T N 0.299 114.892 114.554 0.064 0.000 2.684 357 T HA -0.148 4.203 4.350 0.000 0.000 0.267 357 T C 2.008 176.696 174.700 -0.020 0.000 1.036 357 T CA 1.394 63.517 62.100 0.038 0.000 1.148 357 T CB -0.387 68.516 68.868 0.058 0.000 0.863 357 T HN -0.024 nan 8.240 nan 0.000 0.436 358 V N 0.811 120.648 119.914 -0.130 0.000 2.287 358 V HA -0.164 3.956 4.120 0.000 0.000 0.248 358 V C 2.098 178.079 176.094 -0.188 0.000 1.053 358 V CA 1.778 63.941 62.300 -0.228 0.000 1.027 358 V CB -0.880 30.684 31.823 -0.431 0.000 0.646 358 V HN 0.484 nan 8.190 nan 0.000 0.447 359 F N 0.257 120.214 119.950 0.012 0.000 2.134 359 F HA -0.165 4.362 4.527 0.000 0.000 0.299 359 F C 2.408 178.198 175.800 -0.017 0.000 1.097 359 F CA 1.423 59.410 58.000 -0.022 0.000 1.264 359 F CB -0.435 38.537 39.000 -0.045 0.000 1.001 359 F HN 0.182 nan 8.300 nan 0.000 0.479 360 D N -0.197 120.300 120.400 0.162 0.000 2.117 360 D HA -0.136 4.504 4.640 0.000 0.000 0.197 360 D C 2.257 178.601 176.300 0.073 0.000 0.987 360 D CA 1.788 55.846 54.000 0.096 0.000 0.829 360 D CB -0.792 40.051 40.800 0.071 0.000 0.961 360 D HN 0.163 nan 8.370 nan 0.000 0.460 361 T N 1.038 115.626 114.554 0.056 0.000 2.708 361 T HA -0.065 4.285 4.350 0.000 0.000 0.266 361 T C 2.234 176.974 174.700 0.067 0.000 1.037 361 T CA 0.479 62.606 62.100 0.045 0.000 1.146 361 T CB -0.322 68.560 68.868 0.023 0.000 0.865 361 T HN 0.107 nan 8.240 nan 0.000 0.435 362 L N 1.256 122.534 121.223 0.092 0.000 2.042 362 L HA -0.155 4.185 4.340 0.000 0.000 0.210 362 L C 2.718 179.688 176.870 0.166 0.000 1.076 362 L CA 1.306 56.237 54.840 0.152 0.000 0.749 362 L CB -0.594 41.606 42.059 0.234 0.000 0.893 362 L HN 0.402 nan 8.230 nan 0.000 0.432 363 N N -0.284 118.494 118.700 0.130 0.000 2.149 363 N HA -0.213 4.527 4.740 0.000 0.000 0.188 363 N C 1.262 176.821 175.510 0.082 0.000 1.019 363 N CA 1.511 54.622 53.050 0.102 0.000 0.857 363 N CB 0.109 38.629 38.487 0.055 0.000 0.997 363 N HN 0.336 nan 8.380 nan 0.000 0.426 364 D N 0.278 120.718 120.400 0.066 0.000 2.149 364 D HA -0.077 4.563 4.640 0.000 0.000 0.201 364 D C 1.822 178.150 176.300 0.046 0.000 0.972 364 D CA 1.007 55.036 54.000 0.048 0.000 0.835 364 D CB -0.021 40.802 40.800 0.038 0.000 0.966 364 D HN 0.443 nan 8.370 nan 0.000 0.476 365 M N 0.281 119.913 119.600 0.054 0.000 2.486 365 M HA 0.171 4.651 4.480 0.000 0.000 0.264 365 M C 0.950 177.275 176.300 0.041 0.000 1.125 365 M CA -0.003 55.323 55.300 0.042 0.000 1.144 365 M CB 0.427 33.050 32.600 0.038 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 0.068 0.000 2.425 366 A HA 0.382 4.703 4.320 0.000 0.000 0.249 366 A C -2.059 175.539 177.584 0.022 0.000 1.084 366 A CA -1.204 50.860 52.037 0.044 0.000 0.781 366 A CB -0.660 18.396 19.000 0.093 0.000 1.019 366 A HN 0.127 nan 8.150 nan 0.000 0.490 367 P HA 0.048 nan 4.420 nan 0.000 0.268 367 P C 0.167 177.460 177.300 -0.011 0.000 1.208 367 P CA -0.026 63.063 63.100 -0.018 0.000 0.777 367 P CB 0.525 32.202 31.700 -0.038 0.000 0.875 368 E N 1.248 121.445 120.200 -0.005 0.000 2.265 368 E HA -0.150 4.200 4.350 0.000 0.000 0.196 368 E C 0.828 177.422 176.600 -0.010 0.000 0.996 368 E CA 0.907 57.308 56.400 0.001 0.000 0.832 368 E CB -0.275 29.421 29.700 -0.006 0.000 0.756 368 E HN 0.532 nan 8.360 nan 0.000 0.491 369 N N 0.630 119.313 118.700 -0.029 0.000 2.321 369 N HA 0.140 4.880 4.740 0.000 0.000 0.242 369 N C -0.191 175.277 175.510 -0.070 0.000 1.141 369 N CA -0.129 52.898 53.050 -0.038 0.000 0.864 369 N CB 0.232 38.699 38.487 -0.033 0.000 1.100 369 N HN -0.059 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 4.802 4.320 0.000 0.000 0.243 370 A C 0.091 177.509 177.584 -0.277 0.000 1.082 370 A CA -0.164 51.728 52.037 -0.243 0.000 0.786 370 A CB 0.171 18.935 19.000 -0.394 0.000 1.029 370 A HN 0.398 nan 8.150 nan 0.000 0.495 371 I N 1.006 121.388 120.570 -0.314 0.000 2.389 371 I HA 0.322 4.492 4.170 0.000 0.000 0.288 371 I C -1.232 174.738 176.117 -0.246 0.000 0.999 371 I CA -0.238 60.964 61.300 -0.162 0.000 1.129 371 I CB 1.268 39.262 38.000 -0.010 0.000 1.288 371 I HN 0.617 nan 8.210 nan 0.000 0.444 372 Y N 6.075 126.393 120.300 0.030 0.000 2.387 372 Y HA 0.652 5.202 4.550 0.000 0.000 0.330 372 Y C -0.378 175.525 175.900 0.004 0.000 1.133 372 Y CA -0.817 57.299 58.100 0.026 0.000 1.152 372 Y CB 1.497 39.984 38.460 0.045 0.000 1.215 372 Y HN 0.329 nan 8.280 nan 0.000 0.466 373 L N 2.531 123.854 121.223 0.165 0.000 2.386 373 L HA 0.395 4.735 4.340 0.000 0.000 0.271 373 L C -0.637 176.293 176.870 0.101 0.000 0.993 373 L CA -0.505 54.381 54.840 0.076 0.000 0.819 373 L CB 1.977 44.074 42.059 0.063 0.000 1.294 373 L HN 0.666 nan 8.230 nan 0.000 0.414 374 N N 1.988 120.729 118.700 0.069 0.000 2.442 374 N HA 0.327 5.067 4.740 0.000 0.000 0.274 374 N C -0.796 174.921 175.510 0.345 0.000 1.002 374 N CA -0.216 52.978 53.050 0.241 0.000 0.910 374 N CB 1.217 39.890 38.487 0.310 0.000 1.244 374 N HN 0.759 nan 8.380 nan 0.000 0.492 375 E N 2.464 122.835 120.200 0.285 0.000 3.843 375 E HA 0.048 4.398 4.350 0.000 0.000 0.189 375 E C -1.335 175.410 176.600 0.242 0.000 1.013 375 E CA -0.101 56.444 56.400 0.242 0.000 1.395 375 E CB 0.482 30.277 29.700 0.159 0.000 1.136 375 E HN 0.352 nan 8.360 nan 0.000 0.444 376 S N 0.452 116.325 115.700 0.289 0.000 2.217 376 S HA 0.055 4.525 4.470 0.000 0.000 0.168 376 S C 1.423 176.190 174.600 0.277 0.000 1.526 376 S CA 0.102 58.456 58.200 0.257 0.000 1.150 376 S CB 0.087 63.453 63.200 0.275 0.000 1.158 376 S HN 0.468 nan 8.310 nan 0.000 0.473 377 T N 0.343 115.061 114.554 0.274 0.000 2.751 377 T HA -0.202 4.148 4.350 0.000 0.000 0.268 377 T C 1.637 176.459 174.700 0.203 0.000 1.045 377 T CA 2.011 64.277 62.100 0.277 0.000 1.142 377 T CB -0.672 68.340 68.868 0.239 0.000 0.851 377 T HN 0.688 nan 8.240 nan 0.000 0.474 378 S N 0.627 116.427 115.700 0.166 0.000 2.556 378 S HA 0.165 4.635 4.470 0.000 0.000 0.216 378 S C 1.529 176.164 174.600 0.058 0.000 0.970 378 S CA 0.247 58.497 58.200 0.084 0.000 0.912 378 S CB -0.208 63.038 63.200 0.077 0.000 0.790 378 S HN 0.782 nan 8.310 nan 0.000 0.504 379 T N -3.200 111.439 114.554 0.142 0.000 3.091 379 T HA 0.207 4.557 4.350 0.000 0.000 0.277 379 T C 1.232 176.009 174.700 0.129 0.000 0.996 379 T CA 0.270 62.482 62.100 0.186 0.000 0.897 379 T CB -0.248 68.847 68.868 0.377 0.000 1.109 379 T HN 0.147 nan 8.240 nan 0.000 0.534 380 T N 2.395 117.009 114.554 0.100 0.000 2.665 380 T HA -0.099 4.251 4.350 0.000 0.000 0.268 380 T C 2.376 177.106 174.700 0.050 0.000 1.035 380 T CA 1.780 63.925 62.100 0.075 0.000 1.151 380 T CB -0.742 68.150 68.868 0.041 0.000 0.862 380 T HN 0.648 nan 8.240 nan 0.000 0.438 381 A N 1.450 124.275 122.820 0.007 0.000 1.865 381 A HA -0.205 4.115 4.320 0.000 0.000 0.217 381 A C 2.328 179.899 177.584 -0.022 0.000 1.191 381 A CA 1.853 53.885 52.037 -0.010 0.000 0.623 381 A CB -0.774 18.200 19.000 -0.043 0.000 0.826 381 A HN 0.482 nan 8.150 nan 0.000 0.444 382 Q N -0.951 118.825 119.800 -0.040 0.000 2.124 382 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 382 Q C 2.112 177.946 176.000 -0.276 0.000 0.977 382 Q CA 1.678 57.452 55.803 -0.048 0.000 0.850 382 Q CB -0.482 28.317 28.738 0.103 0.000 0.901 382 Q HN 0.784 nan 8.270 nan 0.000 0.429 383 M N -1.154 118.061 119.600 -0.641 0.000 2.080 383 M HA -0.197 4.283 4.480 0.000 0.000 0.260 383 M C 1.160 177.092 176.300 -0.614 0.000 1.068 383 M CA 1.675 56.232 55.300 -1.238 0.000 1.109 383 M CB -0.160 31.703 32.600 -1.228 0.000 1.342 383 M HN 0.306 nan 8.290 nan 0.000 0.405 384 W N 0.725 121.770 121.300 -0.424 0.000 2.421 384 W HA -0.160 4.500 4.660 0.000 0.000 0.270 384 W C 2.292 178.700 176.519 -0.185 0.000 1.233 384 W CA 1.240 58.397 57.345 -0.313 0.000 1.226 384 W CB -0.020 29.284 29.460 -0.259 0.000 1.121 384 W HN 0.401 nan 8.180 nan 0.000 0.579 385 Q N -0.931 118.888 119.800 0.032 0.000 2.250 385 Q HA 0.022 4.362 4.340 0.000 0.000 0.200 385 Q C 1.808 177.800 176.000 -0.014 0.000 0.941 385 Q CA 0.737 56.560 55.803 0.035 0.000 0.872 385 Q CB -0.010 28.737 28.738 0.016 0.000 0.965 385 Q HN 0.258 nan 8.270 nan 0.000 0.480 386 R N -0.245 120.202 120.500 -0.088 0.000 2.334 386 R HA 0.239 4.579 4.340 0.000 0.000 0.216 386 R C -0.123 176.120 176.300 -0.096 0.000 0.905 386 R CA 0.032 56.100 56.100 -0.053 0.000 1.064 386 R CB 0.572 30.889 30.300 0.028 0.000 1.046 386 R HN 0.056 nan 8.270 nan 0.000 0.508 387 L N 1.484 122.581 121.223 -0.210 0.000 2.298 387 L HA 0.279 4.619 4.340 0.000 0.000 0.284 387 L C -0.392 176.365 176.870 -0.187 0.000 1.013 387 L CA -0.532 54.146 54.840 -0.270 0.000 0.824 387 L CB 1.645 43.351 42.059 -0.588 0.000 1.221 387 L HN 0.123 nan 8.230 nan 0.000 0.418 388 N N 5.196 123.840 118.700 -0.092 0.000 2.439 388 N HA 0.297 5.038 4.740 0.000 0.000 0.243 388 N C -0.792 174.684 175.510 -0.057 0.000 1.088 388 N CA -0.492 52.518 53.050 -0.066 0.000 0.940 388 N CB 0.524 38.995 38.487 -0.026 0.000 1.180 388 N HN 0.568 nan 8.380 nan 0.000 0.505 389 M N 3.650 123.181 119.600 -0.115 0.000 2.080 389 M HA 0.237 4.717 4.480 0.000 0.000 0.350 389 M C 0.944 177.172 176.300 -0.119 0.000 1.143 389 M CA -0.418 54.830 55.300 -0.086 0.000 1.064 389 M CB 1.447 33.964 32.600 -0.138 0.000 1.429 389 M HN 0.440 nan 8.290 nan 0.000 0.418 390 R N 0.538 120.989 120.500 -0.082 0.000 2.127 390 R HA 0.121 4.461 4.340 0.000 0.000 0.217 390 R C 0.387 176.624 176.300 -0.106 0.000 1.074 390 R CA 0.663 56.703 56.100 -0.101 0.000 0.991 390 R CB 0.107 30.365 30.300 -0.070 0.000 0.895 390 R HN 0.628 nan 8.270 nan 0.000 0.450 391 N N 1.170 119.826 118.700 -0.075 0.000 2.485 391 N HA 0.306 5.046 4.740 0.000 0.000 0.280 391 N C -2.609 172.866 175.510 -0.057 0.000 1.205 391 N CA -1.656 51.355 53.050 -0.064 0.000 0.959 391 N CB 0.656 39.118 38.487 -0.041 0.000 1.206 391 N HN -0.227 nan 8.380 nan 0.000 0.545 392 P HA 0.138 nan 4.420 nan 0.000 0.274 392 P C 0.285 177.579 177.300 -0.009 0.000 1.256 392 P CA 0.159 63.245 63.100 -0.024 0.000 0.795 392 P CB 0.260 31.954 31.700 -0.009 0.000 1.038 393 G N 0.506 109.301 108.800 -0.009 0.000 2.395 393 G HA2 -0.251 3.709 3.960 0.000 0.000 0.300 393 G HA3 -0.251 3.709 3.960 0.000 0.000 0.300 393 G C 0.513 175.409 174.900 -0.006 0.000 0.998 393 G CA 0.542 45.649 45.100 0.013 0.000 1.046 393 G HN 0.423 nan 8.290 nan 0.000 0.513 394 S N -1.461 114.192 115.700 -0.080 0.000 2.559 394 S HA 0.374 4.844 4.470 0.000 0.000 0.226 394 S C -0.128 174.495 174.600 0.038 0.000 1.000 394 S CA 0.090 58.288 58.200 -0.003 0.000 0.948 394 S CB 0.623 63.831 63.200 0.013 0.000 0.870 394 S HN 0.773 nan 8.310 nan 0.000 0.497 395 Y N 0.690 120.775 120.300 -0.358 0.000 2.479 395 Y HA 0.568 5.119 4.550 0.000 0.000 0.338 395 Y C -2.205 173.372 175.900 -0.539 0.000 1.055 395 Y CA -1.275 56.640 58.100 -0.310 0.000 1.023 395 Y CB 1.049 39.290 38.460 -0.366 0.000 1.287 395 Y HN 0.070 nan 8.280 nan 0.000 0.447 396 Y N 6.380 126.403 120.300 -0.463 0.000 2.433 396 Y HA 0.569 5.119 4.550 0.000 0.000 0.337 396 Y C -1.525 174.253 175.900 -0.204 0.000 1.026 396 Y CA -1.082 56.931 58.100 -0.145 0.000 1.037 396 Y CB 2.174 40.714 38.460 0.134 0.000 1.245 396 Y HN 0.589 nan 8.280 nan 0.000 0.443 397 F N 3.018 122.958 119.950 -0.017 0.000 2.574 397 F HA 0.518 5.045 4.527 0.000 0.000 0.313 397 F C -0.292 175.453 175.800 -0.092 0.000 1.130 397 F CA -1.783 56.231 58.000 0.023 0.000 0.936 397 F CB 0.893 39.969 39.000 0.127 0.000 1.219 397 F HN 0.727 nan 8.300 nan 0.000 0.445 398 C N 4.673 123.463 119.300 -0.850 0.000 2.250 398 C HA 0.353 4.813 4.460 0.000 0.000 0.405 398 C C 1.719 176.315 174.990 -0.658 0.000 1.516 398 C CA -0.028 58.398 59.018 -0.987 0.000 1.412 398 C CB -1.555 25.765 27.740 -0.700 0.000 2.534 398 C HN 1.062 nan 8.230 nan 0.000 0.621 399 A N 3.254 125.794 122.820 -0.466 0.000 2.032 399 A HA 0.132 4.452 4.320 0.000 0.000 0.221 399 A C 2.251 179.766 177.584 -0.116 0.000 1.165 399 A CA 2.029 53.965 52.037 -0.169 0.000 0.645 399 A CB -0.417 18.483 19.000 -0.166 0.000 0.807 399 A HN 1.699 nan 8.150 nan 0.000 0.453 400 A N -2.572 120.140 122.820 -0.181 0.000 2.390 400 A HA 0.469 4.790 4.320 0.000 0.000 0.232 400 A C 1.629 179.128 177.584 -0.142 0.000 1.233 400 A CA 0.979 52.948 52.037 -0.114 0.000 0.907 400 A CB -0.546 18.403 19.000 -0.085 0.000 0.967 400 A HN 1.854 nan 8.150 nan 0.000 0.512 401 G N -1.014 107.656 108.800 -0.217 0.000 2.148 401 G HA2 -0.090 3.870 3.960 0.000 0.000 0.254 401 G HA3 -0.090 3.870 3.960 0.000 0.000 0.254 401 G C 0.681 175.444 174.900 -0.227 0.000 0.981 401 G CA 0.202 45.175 45.100 -0.212 0.000 0.670 401 G HN 1.459 nan 8.290 nan 0.000 0.528 402 G N 0.339 108.997 108.800 -0.237 0.000 2.365 402 G HA2 0.559 4.519 3.960 0.000 0.000 0.293 402 G HA3 0.559 4.519 3.960 0.000 0.000 0.293 402 G C 0.548 175.301 174.900 -0.244 0.000 1.128 402 G CA -0.504 44.471 45.100 -0.209 0.000 0.971 402 G HN 0.619 nan 8.290 nan 0.000 0.422 403 L N 1.825 122.825 121.223 -0.372 0.000 2.461 403 L HA 0.422 4.762 4.340 0.000 0.000 0.272 403 L C 1.479 178.139 176.870 -0.349 0.000 1.197 403 L CA 0.834 55.403 54.840 -0.452 0.000 0.836 403 L CB 0.902 42.453 42.059 -0.847 0.000 1.105 403 L HN 0.820 nan 8.230 nan 0.000 0.477 404 G N 1.541 110.296 108.800 -0.076 0.000 2.168 404 G HA2 -0.296 3.664 3.960 0.000 0.000 0.197 404 G HA3 -0.296 3.664 3.960 0.000 0.000 0.197 404 G C 0.115 175.082 174.900 0.113 0.000 0.997 404 G CA 0.216 45.378 45.100 0.103 0.000 0.658 404 G HN 0.638 nan 8.290 nan 0.000 0.513 405 F N 1.522 121.438 119.950 -0.056 0.000 2.222 405 F HA 0.537 5.064 4.527 0.000 0.000 0.285 405 F C 2.551 178.340 175.800 -0.019 0.000 1.068 405 F CA 1.876 59.843 58.000 -0.056 0.000 1.265 405 F CB -0.581 38.349 39.000 -0.115 0.000 1.087 405 F HN 0.245 nan 8.300 nan 0.000 0.511 406 A N 1.532 124.279 122.820 -0.122 0.000 1.896 406 A HA -0.264 4.056 4.320 0.000 0.000 0.220 406 A C 2.336 179.837 177.584 -0.138 0.000 1.206 406 A CA 2.328 54.253 52.037 -0.187 0.000 0.647 406 A CB -1.557 17.488 19.000 0.076 0.000 0.828 406 A HN 0.618 nan 8.150 nan 0.000 0.455 407 L N 0.107 121.346 121.223 0.026 0.000 1.970 407 L HA -0.124 4.216 4.340 0.000 0.000 0.212 407 L C -0.258 176.682 176.870 0.116 0.000 1.071 407 L CA 2.306 57.249 54.840 0.172 0.000 0.751 407 L CB -0.843 41.297 42.059 0.135 0.000 0.889 407 L HN 0.306 nan 8.230 nan 0.000 0.432 408 P HA -0.139 nan 4.420 nan 0.000 0.217 408 P C 1.257 178.464 177.300 -0.155 0.000 1.151 408 P CA 1.922 64.997 63.100 -0.042 0.000 0.828 408 P CB -0.063 31.608 31.700 -0.048 0.000 0.788 409 A N 0.851 123.435 122.820 -0.394 0.000 1.933 409 A HA -0.058 4.262 4.320 0.000 0.000 0.218 409 A C 2.517 179.884 177.584 -0.362 0.000 1.175 409 A CA 2.076 53.776 52.037 -0.562 0.000 0.628 409 A CB -1.545 16.637 19.000 -1.364 0.000 0.814 409 A HN 0.232 nan 8.150 nan 0.000 0.444 410 A N -0.081 122.584 122.820 -0.259 0.000 1.972 410 A HA -0.075 4.245 4.320 0.000 0.000 0.219 410 A C 2.073 179.580 177.584 -0.128 0.000 1.169 410 A CA 1.492 53.418 52.037 -0.186 0.000 0.635 410 A CB -0.567 18.323 19.000 -0.184 0.000 0.810 410 A HN 0.527 nan 8.150 nan 0.000 0.446 411 I N -0.598 119.952 120.570 -0.033 0.000 2.252 411 I HA -0.150 4.020 4.170 0.000 0.000 0.245 411 I C 2.692 178.819 176.117 0.018 0.000 1.102 411 I CA 1.027 62.348 61.300 0.036 0.000 1.385 411 I CB -0.638 37.437 38.000 0.125 0.000 1.064 411 I HN 0.388 nan 8.210 nan 0.000 0.414 412 G N 0.671 109.454 108.800 -0.028 0.000 2.418 412 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 412 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 412 G C 1.725 176.658 174.900 0.055 0.000 1.158 412 G CA 0.766 45.879 45.100 0.021 0.000 0.771 412 G HN 0.213 nan 8.290 nan 0.000 0.545 413 V N 0.633 120.491 119.914 -0.092 0.000 2.295 413 V HA -0.233 3.887 4.120 0.000 0.000 0.246 413 V C 2.790 178.863 176.094 -0.034 0.000 1.049 413 V CA 2.303 64.532 62.300 -0.117 0.000 1.024 413 V CB -0.483 31.217 31.823 -0.203 0.000 0.648 413 V HN 0.425 nan 8.190 nan 0.000 0.447 414 Q N -0.205 119.574 119.800 -0.034 0.000 2.170 414 Q HA -0.202 4.138 4.340 0.000 0.000 0.203 414 Q C 1.915 177.938 176.000 0.038 0.000 0.976 414 Q CA 1.790 57.582 55.803 -0.019 0.000 0.858 414 Q CB -0.524 28.186 28.738 -0.046 0.000 0.907 414 Q HN 0.566 nan 8.270 nan 0.000 0.433 415 L N -0.419 120.862 121.223 0.097 0.000 2.156 415 L HA 0.091 4.431 4.340 0.000 0.000 0.208 415 L C 1.890 178.906 176.870 0.244 0.000 1.095 415 L CA 1.923 56.861 54.840 0.164 0.000 0.770 415 L CB -0.676 41.499 42.059 0.193 0.000 0.914 415 L HN 0.222 nan 8.230 nan 0.000 0.439 416 A N -1.621 121.325 122.820 0.210 0.000 1.975 416 A HA 0.056 4.376 4.320 0.000 0.000 0.215 416 A C 1.117 178.693 177.584 -0.014 0.000 1.170 416 A CA 0.647 52.696 52.037 0.020 0.000 0.656 416 A CB -0.118 18.728 19.000 -0.256 0.000 0.821 416 A HN 0.390 nan 8.150 nan 0.000 0.449 417 E N 0.017 120.218 120.200 0.001 0.000 3.167 417 E HA 0.157 4.507 4.350 0.000 0.000 0.212 417 E C -2.112 174.487 176.600 -0.002 0.000 1.143 417 E CA -1.678 54.717 56.400 -0.008 0.000 1.002 417 E CB 0.823 30.515 29.700 -0.013 0.000 1.315 417 E HN 0.403 nan 8.360 nan 0.000 0.422 418 P HA -0.136 nan 4.420 nan 0.000 0.221 418 P C 0.643 177.939 177.300 -0.006 0.000 1.145 418 P CA 1.017 64.121 63.100 0.007 0.000 0.795 418 P CB 0.607 32.318 31.700 0.018 0.000 0.775 419 E N -0.395 119.799 120.200 -0.010 0.000 2.479 419 E HA 0.092 4.442 4.350 0.000 0.000 0.193 419 E C 0.633 177.217 176.600 -0.026 0.000 1.049 419 E CA 0.199 56.590 56.400 -0.016 0.000 0.870 419 E CB 0.154 29.846 29.700 -0.013 0.000 0.944 419 E HN 0.420 nan 8.360 nan 0.000 0.492 420 R N 1.007 121.488 120.500 -0.032 0.000 2.480 420 R HA 0.254 4.594 4.340 0.000 0.000 0.306 420 R C -0.312 175.946 176.300 -0.070 0.000 0.958 420 R CA -0.847 55.224 56.100 -0.048 0.000 0.861 420 R CB 1.389 31.663 30.300 -0.042 0.000 1.171 420 R HN -0.164 nan 8.270 nan 0.000 0.445 421 Q N 2.401 122.147 119.800 -0.091 0.000 2.262 421 Q HA 0.109 4.449 4.340 0.000 0.000 0.272 421 Q C -0.899 174.999 176.000 -0.170 0.000 1.076 421 Q CA 0.178 55.911 55.803 -0.117 0.000 0.905 421 Q CB 0.864 29.533 28.738 -0.115 0.000 1.182 421 Q HN 0.392 nan 8.270 nan 0.000 0.390 422 V N 6.847 126.662 119.914 -0.165 0.000 2.465 422 V HA 0.404 4.524 4.120 0.000 0.000 0.279 422 V C 0.121 176.071 176.094 -0.240 0.000 1.045 422 V CA -0.412 61.771 62.300 -0.195 0.000 0.938 422 V CB 1.060 32.784 31.823 -0.166 0.000 0.986 422 V HN 0.722 nan 8.190 nan 0.000 0.467 423 I N 4.327 124.748 120.570 -0.249 0.000 2.468 423 I HA 0.576 4.746 4.170 0.000 0.000 0.284 423 I C 0.130 176.219 176.117 -0.047 0.000 1.038 423 I CA -0.497 60.699 61.300 -0.173 0.000 1.083 423 I CB 1.707 39.616 38.000 -0.152 0.000 1.223 423 I HN 0.638 nan 8.210 nan 0.000 0.443 424 A N 6.712 129.479 122.820 -0.088 0.000 2.252 424 A HA 0.656 4.976 4.320 0.000 0.000 0.309 424 A C -0.325 177.328 177.584 0.115 0.000 1.285 424 A CA -0.423 51.626 52.037 0.021 0.000 0.900 424 A CB 0.668 19.651 19.000 -0.029 0.000 1.157 424 A HN 0.459 nan 8.150 nan 0.000 0.536 425 V N 5.201 125.227 119.914 0.186 0.000 2.334 425 V HA 0.309 4.429 4.120 0.000 0.000 0.267 425 V C -0.114 176.093 176.094 0.188 0.000 1.040 425 V CA 0.185 62.603 62.300 0.198 0.000 0.866 425 V CB -0.006 32.000 31.823 0.305 0.000 1.019 425 V HN 0.701 nan 8.190 nan 0.000 0.468 426 I N 3.633 124.287 120.570 0.140 0.000 2.509 426 I HA 0.579 4.749 4.170 0.000 0.000 0.293 426 I C 0.978 177.139 176.117 0.073 0.000 1.020 426 I CA -0.558 60.821 61.300 0.131 0.000 1.088 426 I CB 1.955 40.038 38.000 0.139 0.000 1.267 426 I HN 0.634 nan 8.210 nan 0.000 0.430 427 G N 2.838 111.708 108.800 0.116 0.000 2.544 427 G HA2 0.044 4.004 3.960 0.000 0.000 0.242 427 G HA3 0.044 4.004 3.960 0.000 0.000 0.242 427 G C 0.857 175.786 174.900 0.048 0.000 1.247 427 G CA -0.289 44.871 45.100 0.099 0.000 0.840 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.810 121.206 120.400 -0.005 0.000 2.221 428 D HA -0.114 4.527 4.640 0.000 0.000 0.204 428 D C 2.025 178.502 176.300 0.295 0.000 0.982 428 D CA 1.348 55.328 54.000 -0.034 0.000 0.857 428 D CB -0.591 40.259 40.800 0.084 0.000 0.934 428 D HN 0.459 nan 8.370 nan 0.000 0.475 429 G N 0.359 109.353 108.800 0.324 0.000 2.395 429 G HA2 -0.177 3.783 3.960 0.000 0.000 0.214 429 G HA3 -0.177 3.783 3.960 0.000 0.000 0.214 429 G C 1.860 177.087 174.900 0.545 0.000 1.177 429 G CA 0.757 46.153 45.100 0.493 0.000 0.794 429 G HN 0.325 nan 8.290 nan 0.000 0.532 430 S N 1.195 117.180 115.700 0.474 0.000 2.400 430 S HA -0.056 4.414 4.470 0.000 0.000 0.232 430 S C 2.732 177.598 174.600 0.444 0.000 1.025 430 S CA 1.145 59.630 58.200 0.474 0.000 0.993 430 S CB -0.358 62.993 63.200 0.251 0.000 0.808 430 S HN 0.573 nan 8.310 nan 0.000 0.478 431 A N 2.565 125.571 122.820 0.309 0.000 2.032 431 A HA -0.179 4.141 4.320 0.000 0.000 0.221 431 A C 1.889 179.651 177.584 0.296 0.000 1.165 431 A CA 1.471 53.666 52.037 0.264 0.000 0.645 431 A CB -0.553 18.561 19.000 0.189 0.000 0.807 431 A HN 0.518 nan 8.150 nan 0.000 0.453 432 N N -1.172 117.704 118.700 0.294 0.000 2.216 432 N HA -0.146 4.594 4.740 0.000 0.000 0.183 432 N C 1.516 177.070 175.510 0.073 0.000 1.017 432 N CA 1.521 54.656 53.050 0.142 0.000 0.861 432 N CB -0.521 37.982 38.487 0.027 0.000 0.986 432 N HN 0.641 nan 8.380 nan 0.000 0.428 433 Y N 1.545 121.925 120.300 0.133 0.000 2.102 433 Y HA -0.136 4.414 4.550 0.000 0.000 0.280 433 Y C 1.655 177.600 175.900 0.074 0.000 1.178 433 Y CA 1.179 59.337 58.100 0.097 0.000 1.146 433 Y CB -0.239 38.274 38.460 0.088 0.000 0.968 433 Y HN -0.048 nan 8.280 nan 0.000 0.504 434 S N -0.820 115.016 115.700 0.226 0.000 2.751 434 S HA 0.141 4.611 4.470 0.000 0.000 0.247 434 S C 1.177 175.821 174.600 0.075 0.000 1.103 434 S CA -0.340 57.935 58.200 0.124 0.000 1.090 434 S CB -0.079 63.184 63.200 0.104 0.000 0.928 434 S HN 0.237 nan 8.310 nan 0.000 0.502 435 I N 2.977 123.603 120.570 0.094 0.000 2.248 435 I HA -0.226 3.944 4.170 0.000 0.000 0.248 435 I C 2.339 178.454 176.117 -0.002 0.000 1.107 435 I CA 1.884 63.238 61.300 0.090 0.000 1.373 435 I CB -0.329 37.764 38.000 0.155 0.000 1.055 435 I HN 0.471 nan 8.210 nan 0.000 0.418 436 S N 0.581 116.234 115.700 -0.078 0.000 2.500 436 S HA -0.064 4.406 4.470 0.000 0.000 0.239 436 S C 2.167 176.533 174.600 -0.390 0.000 0.989 436 S CA 0.669 58.596 58.200 -0.454 0.000 0.951 436 S CB -0.977 62.058 63.200 -0.275 0.000 0.759 436 S HN 0.519 nan 8.310 nan 0.000 0.523 437 A N 2.204 124.934 122.820 -0.151 0.000 1.972 437 A HA 0.087 4.407 4.320 0.000 0.000 0.219 437 A C 2.179 179.730 177.584 -0.056 0.000 1.169 437 A CA 1.279 53.285 52.037 -0.052 0.000 0.635 437 A CB -0.859 18.139 19.000 -0.004 0.000 0.810 437 A HN 0.569 nan 8.150 nan 0.000 0.446 438 L N -2.536 118.591 121.223 -0.160 0.000 2.051 438 L HA -0.280 4.060 4.340 0.000 0.000 0.214 438 L C 2.463 179.330 176.870 -0.005 0.000 1.076 438 L CA 1.974 56.724 54.840 -0.151 0.000 0.758 438 L CB -0.565 41.423 42.059 -0.118 0.000 0.890 438 L HN 0.759 nan 8.230 nan 0.000 0.433 439 W N 0.982 122.120 121.300 -0.270 0.000 2.318 439 W HA -0.270 4.390 4.660 0.000 0.000 0.313 439 W C 2.610 179.115 176.519 -0.024 0.000 1.221 439 W CA 2.414 59.681 57.345 -0.130 0.000 1.266 439 W CB -0.465 28.833 29.460 -0.269 0.000 1.150 439 W HN 0.008 nan 8.180 nan 0.000 0.496 440 T N 0.363 115.011 114.554 0.156 0.000 2.720 440 T HA -0.218 4.132 4.350 0.000 0.000 0.268 440 T C 1.924 176.679 174.700 0.092 0.000 1.037 440 T CA 1.999 64.188 62.100 0.148 0.000 1.144 440 T CB -0.933 68.106 68.868 0.286 0.000 0.864 440 T HN 0.271 nan 8.240 nan 0.000 0.444 441 A N 1.399 124.274 122.820 0.091 0.000 1.902 441 A HA 0.150 4.470 4.320 0.000 0.000 0.217 441 A C 2.635 180.229 177.584 0.017 0.000 1.181 441 A CA 1.852 53.962 52.037 0.122 0.000 0.623 441 A CB -1.097 18.048 19.000 0.242 0.000 0.818 441 A HN 0.511 nan 8.150 nan 0.000 0.443 442 A N -1.202 121.566 122.820 -0.087 0.000 1.855 442 A HA -0.172 4.148 4.320 0.000 0.000 0.215 442 A C 2.143 179.540 177.584 -0.312 0.000 1.191 442 A CA 1.642 53.582 52.037 -0.162 0.000 0.613 442 A CB -0.570 18.325 19.000 -0.174 0.000 0.829 442 A HN 0.465 nan 8.150 nan 0.000 0.442 443 Q N -1.028 118.402 119.800 -0.617 0.000 2.077 443 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 443 Q C 1.251 176.832 176.000 -0.697 0.000 0.989 443 Q CA 1.747 57.037 55.803 -0.855 0.000 0.853 443 Q CB -0.433 27.413 28.738 -1.488 0.000 0.907 443 Q HN 0.867 nan 8.270 nan 0.000 0.418 444 Y N -0.031 120.145 120.300 -0.206 0.000 2.493 444 Y HA 0.132 4.682 4.550 0.000 0.000 0.275 444 Y C 0.338 176.194 175.900 -0.072 0.000 1.183 444 Y CA -0.424 57.609 58.100 -0.112 0.000 1.258 444 Y CB -0.367 38.044 38.460 -0.082 0.000 1.108 444 Y HN 0.163 nan 8.280 nan 0.000 0.521 445 N N 1.441 120.138 118.700 -0.005 0.000 2.686 445 N HA -0.230 4.510 4.740 0.000 0.000 0.261 445 N C -1.122 174.417 175.510 0.048 0.000 1.001 445 N CA 0.293 53.349 53.050 0.009 0.000 0.764 445 N CB -1.080 37.403 38.487 -0.006 0.000 0.898 445 N HN 0.402 nan 8.380 nan 0.000 0.544 446 I N 1.569 122.183 120.570 0.072 0.000 2.287 446 I HA 0.206 4.376 4.170 0.000 0.000 0.290 446 I C -1.286 174.863 176.117 0.053 0.000 1.069 446 I CA -2.028 59.313 61.300 0.068 0.000 1.237 446 I CB 1.200 39.256 38.000 0.093 0.000 1.418 446 I HN 0.134 nan 8.210 nan 0.000 0.481 447 P HA -0.064 nan 4.420 nan 0.000 0.311 447 P C 0.142 177.411 177.300 -0.052 0.000 1.543 447 P CA 0.211 63.312 63.100 0.001 0.000 0.766 447 P CB -0.695 31.001 31.700 -0.007 0.000 1.711 448 T N 1.293 115.795 114.554 -0.086 0.000 2.918 448 T HA 0.244 4.594 4.350 0.000 0.000 0.302 448 T C 0.757 175.210 174.700 -0.411 0.000 1.045 448 T CA 0.252 62.165 62.100 -0.312 0.000 1.114 448 T CB 0.675 69.243 68.868 -0.500 0.000 0.965 448 T HN 0.067 nan 8.240 nan 0.000 0.540 449 I N 3.243 123.537 120.570 -0.459 0.000 2.339 449 I HA 0.349 4.519 4.170 0.000 0.000 0.290 449 I C -0.876 174.995 176.117 -0.411 0.000 0.994 449 I CA -0.645 60.485 61.300 -0.283 0.000 1.191 449 I CB 0.921 38.844 38.000 -0.128 0.000 1.343 449 I HN 0.511 nan 8.210 nan 0.000 0.458 450 F N 5.978 125.943 119.950 0.025 0.000 2.361 450 F HA 0.375 4.902 4.527 0.000 0.000 0.364 450 F C 0.091 175.901 175.800 0.017 0.000 1.117 450 F CA -0.874 57.142 58.000 0.027 0.000 1.071 450 F CB 1.274 40.295 39.000 0.036 0.000 1.188 450 F HN 0.016 nan 8.300 nan 0.000 0.464 451 V N 5.646 125.647 119.914 0.145 0.000 2.304 451 V HA 0.257 4.377 4.120 0.000 0.000 0.269 451 V C 0.118 176.235 176.094 0.038 0.000 1.036 451 V CA -0.557 61.789 62.300 0.077 0.000 0.840 451 V CB 0.535 32.391 31.823 0.055 0.000 1.036 451 V HN 0.422 nan 8.190 nan 0.000 0.466 452 I N 6.064 126.615 120.570 -0.031 0.000 2.337 452 I HA 0.285 4.455 4.170 0.000 0.000 0.291 452 I C 0.305 176.325 176.117 -0.161 0.000 1.046 452 I CA -0.291 60.906 61.300 -0.172 0.000 1.324 452 I CB 1.184 38.909 38.000 -0.457 0.000 1.409 452 I HN 0.441 nan 8.210 nan 0.000 0.494 453 M N 5.871 125.405 119.600 -0.109 0.000 2.264 453 M HA 0.135 4.615 4.480 0.000 0.000 0.340 453 M C 0.186 176.440 176.300 -0.077 0.000 1.420 453 M CA -0.024 55.231 55.300 -0.074 0.000 1.254 453 M CB -0.578 32.008 32.600 -0.023 0.000 1.575 453 M HN 0.357 nan 8.290 nan 0.000 0.452 454 N N 3.817 122.473 118.700 -0.073 0.000 2.527 454 N HA 0.155 4.895 4.740 0.000 0.000 0.236 454 N C -0.074 175.452 175.510 0.028 0.000 0.999 454 N CA -0.079 52.962 53.050 -0.016 0.000 0.935 454 N CB 0.452 38.954 38.487 0.026 0.000 1.132 454 N HN 0.489 nan 8.380 nan 0.000 0.511 455 N N 2.027 120.756 118.700 0.048 0.000 2.200 455 N HA 0.160 4.900 4.740 0.000 0.000 0.224 455 N C 0.898 176.443 175.510 0.058 0.000 1.179 455 N CA 0.069 53.147 53.050 0.047 0.000 0.877 455 N CB 0.039 38.556 38.487 0.051 0.000 1.072 455 N HN 0.447 nan 8.380 nan 0.000 0.519 456 G N -0.913 107.931 108.800 0.073 0.000 2.233 456 G HA2 -0.262 3.698 3.960 0.000 0.000 0.270 456 G HA3 -0.262 3.698 3.960 0.000 0.000 0.270 456 G C -0.013 174.896 174.900 0.015 0.000 1.011 456 G CA 1.047 46.181 45.100 0.055 0.000 0.762 456 G HN 0.806 nan 8.290 nan 0.000 0.511 457 T N -1.992 112.583 114.554 0.034 0.000 2.821 457 T HA 0.503 4.853 4.350 0.000 0.000 0.306 457 T C -0.547 174.229 174.700 0.127 0.000 1.313 457 T CA -0.630 61.481 62.100 0.018 0.000 1.012 457 T CB 0.894 69.806 68.868 0.073 0.000 1.298 457 T HN 0.248 nan 8.240 nan 0.000 0.502 458 Y N 2.562 122.948 120.300 0.142 0.000 2.623 458 Y HA 0.235 4.785 4.550 0.000 0.000 0.341 458 Y C 1.896 177.899 175.900 0.171 0.000 1.292 458 Y CA -0.549 57.650 58.100 0.165 0.000 1.840 458 Y CB -0.007 38.555 38.460 0.171 0.000 1.865 458 Y HN 0.960 nan 8.280 nan 0.000 0.440 459 G N 1.489 110.470 108.800 0.303 0.000 2.599 459 G HA2 -0.432 3.528 3.960 0.000 0.000 0.219 459 G HA3 -0.432 3.528 3.960 0.000 0.000 0.219 459 G C 1.841 176.906 174.900 0.274 0.000 1.193 459 G CA 1.173 46.420 45.100 0.245 0.000 0.778 459 G HN 0.648 nan 8.290 nan 0.000 0.589 460 A N 0.311 123.284 122.820 0.254 0.000 1.948 460 A HA -0.015 4.306 4.320 0.000 0.000 0.220 460 A C 2.483 180.268 177.584 0.335 0.000 1.177 460 A CA 1.673 53.866 52.037 0.260 0.000 0.636 460 A CB -0.391 18.733 19.000 0.207 0.000 0.815 460 A HN 0.409 nan 8.150 nan 0.000 0.449 461 L N -1.699 119.711 121.223 0.311 0.000 2.156 461 L HA -0.112 4.228 4.340 0.000 0.000 0.208 461 L C 2.836 179.899 176.870 0.322 0.000 1.095 461 L CA 1.084 56.118 54.840 0.322 0.000 0.770 461 L CB -0.492 41.731 42.059 0.275 0.000 0.914 461 L HN 0.374 nan 8.230 nan 0.000 0.439 462 R N -0.686 120.000 120.500 0.311 0.000 2.092 462 R HA -0.193 4.147 4.340 0.000 0.000 0.231 462 R C 2.145 178.628 176.300 0.305 0.000 1.119 462 R CA 1.547 57.804 56.100 0.261 0.000 0.970 462 R CB -0.359 30.088 30.300 0.245 0.000 0.864 462 R HN 0.509 nan 8.270 nan 0.000 0.440 463 W N 0.881 122.276 121.300 0.159 0.000 2.322 463 W HA -0.302 4.358 4.660 0.000 0.000 0.326 463 W C 1.847 178.486 176.519 0.199 0.000 1.224 463 W CA 1.329 58.766 57.345 0.153 0.000 1.257 463 W CB -0.783 28.765 29.460 0.147 0.000 1.174 463 W HN 0.040 nan 8.180 nan 0.000 0.460 464 F N 1.640 121.673 119.950 0.138 0.000 2.111 464 F HA -0.360 4.167 4.527 0.000 0.000 0.300 464 F C 2.479 178.241 175.800 -0.064 0.000 1.088 464 F CA 2.410 60.399 58.000 -0.018 0.000 1.243 464 F CB -0.555 38.495 39.000 0.084 0.000 0.996 464 F HN -0.009 nan 8.300 nan 0.000 0.483 465 A N 0.391 123.197 122.820 -0.024 0.000 1.917 465 A HA -0.222 4.098 4.320 0.000 0.000 0.219 465 A C 2.391 179.857 177.584 -0.197 0.000 1.182 465 A CA 1.996 53.948 52.037 -0.143 0.000 0.633 465 A CB -1.843 17.156 19.000 -0.003 0.000 0.819 465 A HN 0.538 nan 8.150 nan 0.000 0.448 466 G N -0.372 108.320 108.800 -0.180 0.000 2.418 466 G HA2 -0.144 3.816 3.960 0.000 0.000 0.217 466 G HA3 -0.144 3.816 3.960 0.000 0.000 0.217 466 G C 1.673 176.390 174.900 -0.305 0.000 1.158 466 G CA 2.162 47.117 45.100 -0.242 0.000 0.771 466 G HN 1.100 nan 8.290 nan 0.000 0.545 467 V N 0.255 119.947 119.914 -0.370 0.000 2.237 467 V HA -0.091 4.029 4.120 0.000 0.000 0.245 467 V C 2.681 178.627 176.094 -0.247 0.000 1.046 467 V CA 1.876 64.008 62.300 -0.280 0.000 1.007 467 V CB -0.869 30.866 31.823 -0.148 0.000 0.638 467 V HN 0.300 nan 8.190 nan 0.000 0.445 468 L N 0.190 121.188 121.223 -0.375 0.000 2.549 468 L HA -0.020 4.320 4.340 0.000 0.000 0.230 468 L C 1.736 178.477 176.870 -0.214 0.000 1.162 468 L CA 1.477 56.116 54.840 -0.335 0.000 0.834 468 L CB -1.395 40.357 42.059 -0.511 0.000 0.947 468 L HN 0.537 nan 8.230 nan 0.000 0.452 469 E N -0.823 119.260 120.200 -0.194 0.000 2.735 469 E HA -0.257 4.093 4.350 0.000 0.000 0.261 469 E C 0.586 177.117 176.600 -0.116 0.000 1.137 469 E CA 0.292 56.612 56.400 -0.133 0.000 0.754 469 E CB -0.900 28.739 29.700 -0.102 0.000 1.352 469 E HN 0.612 nan 8.360 nan 0.000 0.430 470 A N 1.348 124.078 122.820 -0.150 0.000 2.492 470 A HA 0.200 4.520 4.320 0.000 0.000 0.254 470 A C 0.378 177.918 177.584 -0.073 0.000 1.091 470 A CA 0.429 52.396 52.037 -0.118 0.000 0.768 470 A CB 0.301 19.207 19.000 -0.157 0.000 1.028 470 A HN 0.215 nan 8.150 nan 0.000 0.498 471 E N 1.780 121.952 120.200 -0.047 0.000 2.299 471 E HA 0.400 4.750 4.350 0.000 0.000 0.265 471 E C -0.544 176.049 176.600 -0.012 0.000 0.911 471 E CA -1.241 55.144 56.400 -0.025 0.000 0.789 471 E CB 0.996 30.682 29.700 -0.023 0.000 1.246 471 E HN 0.677 nan 8.360 nan 0.000 0.427 472 N N -0.302 118.398 118.700 0.001 0.000 2.780 472 N HA -0.136 4.604 4.740 0.000 0.000 0.248 472 N C -1.011 174.509 175.510 0.016 0.000 1.102 472 N CA 0.366 53.421 53.050 0.009 0.000 0.697 472 N CB -1.286 37.203 38.487 0.004 0.000 1.028 472 N HN 0.160 nan 8.380 nan 0.000 0.554 473 V N 2.159 122.087 119.914 0.023 0.000 2.385 473 V HA 0.306 4.426 4.120 0.000 0.000 0.269 473 V C -0.835 175.293 176.094 0.056 0.000 1.043 473 V CA -0.851 61.472 62.300 0.038 0.000 0.906 473 V CB 1.251 33.101 31.823 0.044 0.000 0.995 473 V HN 0.135 nan 8.190 nan 0.000 0.467 474 P HA 0.302 nan 4.420 nan 0.000 0.277 474 P C 0.658 178.015 177.300 0.094 0.000 1.271 474 P CA 0.243 63.381 63.100 0.063 0.000 0.795 474 P CB 0.806 32.536 31.700 0.051 0.000 1.101 475 G N -0.006 108.848 108.800 0.089 0.000 2.341 475 G HA2 -0.238 3.722 3.960 0.000 0.000 0.292 475 G HA3 -0.238 3.722 3.960 0.000 0.000 0.292 475 G C 0.532 175.550 174.900 0.196 0.000 1.021 475 G CA 0.472 45.646 45.100 0.123 0.000 0.905 475 G HN 0.483 nan 8.290 nan 0.000 0.508 476 L N -1.051 120.264 121.223 0.153 0.000 2.554 476 L HA 0.255 4.595 4.340 0.000 0.000 0.225 476 L C 0.365 177.255 176.870 0.034 0.000 1.104 476 L CA 0.095 55.065 54.840 0.216 0.000 0.866 476 L CB 0.084 42.257 42.059 0.190 0.000 1.047 476 L HN 0.134 nan 8.230 nan 0.000 0.468 477 D N 0.442 120.809 120.400 -0.056 0.000 2.248 477 D HA 0.328 4.968 4.640 0.000 0.000 0.246 477 D C -0.039 176.130 176.300 -0.220 0.000 1.027 477 D CA -0.086 53.841 54.000 -0.122 0.000 0.853 477 D CB 3.065 43.843 40.800 -0.037 0.000 1.243 477 D HN -0.198 nan 8.370 nan 0.000 0.462 478 V N -0.738 119.033 119.914 -0.239 0.000 2.454 478 V HA 0.354 4.474 4.120 0.000 0.000 0.255 478 V C -2.504 173.541 176.094 -0.081 0.000 1.009 478 V CA -1.358 60.819 62.300 -0.205 0.000 1.149 478 V CB 0.448 32.087 31.823 -0.307 0.000 1.418 478 V HN 0.315 nan 8.190 nan 0.000 0.567 479 P HA 0.430 nan 4.420 nan 0.000 0.276 479 P C 0.830 178.105 177.300 -0.041 0.000 1.261 479 P CA 0.950 64.034 63.100 -0.027 0.000 0.800 479 P CB 1.339 33.026 31.700 -0.021 0.000 1.066 480 G N -0.016 108.763 108.800 -0.036 0.000 2.198 480 G HA2 -0.193 3.767 3.960 0.000 0.000 0.257 480 G HA3 -0.193 3.767 3.960 0.000 0.000 0.257 480 G C -0.152 174.681 174.900 -0.113 0.000 1.042 480 G CA -0.112 44.951 45.100 -0.060 0.000 0.791 480 G HN 0.488 nan 8.290 nan 0.000 0.502 481 I N 0.532 121.010 120.570 -0.154 0.000 2.389 481 I HA 0.281 4.451 4.170 0.000 0.000 0.288 481 I C -0.686 175.165 176.117 -0.443 0.000 0.999 481 I CA -0.812 60.268 61.300 -0.367 0.000 1.129 481 I CB 1.772 39.445 38.000 -0.544 0.000 1.288 481 I HN 0.016 nan 8.210 nan 0.000 0.444 482 D N 6.496 126.669 120.400 -0.379 0.000 2.456 482 D HA 0.197 4.837 4.640 0.000 0.000 0.219 482 D C 0.633 176.769 176.300 -0.274 0.000 1.126 482 D CA -0.277 53.589 54.000 -0.222 0.000 0.890 482 D CB 0.547 41.275 40.800 -0.119 0.000 1.025 482 D HN 0.300 nan 8.370 nan 0.000 0.511 483 F N 1.966 121.923 119.950 0.011 0.000 2.293 483 F HA -0.004 4.523 4.527 0.000 0.000 0.300 483 F C 2.367 178.176 175.800 0.015 0.000 1.086 483 F CA 0.539 58.550 58.000 0.018 0.000 1.375 483 F CB 0.010 39.029 39.000 0.032 0.000 1.045 483 F HN 0.231 nan 8.300 nan 0.000 0.516 484 R N 0.133 120.725 120.500 0.154 0.000 2.092 484 R HA -0.063 4.277 4.340 0.000 0.000 0.231 484 R C 2.465 178.789 176.300 0.041 0.000 1.119 484 R CA 1.099 57.257 56.100 0.095 0.000 0.970 484 R CB -0.635 29.709 30.300 0.073 0.000 0.864 484 R HN 0.264 nan 8.270 nan 0.000 0.440 485 A N 0.936 123.756 122.820 0.000 0.000 1.898 485 A HA -0.097 4.223 4.320 0.000 0.000 0.216 485 A C 2.108 179.658 177.584 -0.056 0.000 1.181 485 A CA 1.041 53.055 52.037 -0.038 0.000 0.620 485 A CB -0.488 18.471 19.000 -0.067 0.000 0.819 485 A HN 0.171 nan 8.150 nan 0.000 0.442 486 L N -0.738 120.452 121.223 -0.055 0.000 2.046 486 L HA -0.213 4.127 4.340 0.000 0.000 0.208 486 L C 3.127 180.006 176.870 0.016 0.000 1.077 486 L CA 1.105 55.917 54.840 -0.046 0.000 0.747 486 L CB -0.612 41.442 42.059 -0.008 0.000 0.896 486 L HN 0.451 nan 8.230 nan 0.000 0.432 487 A N 0.170 123.029 122.820 0.066 0.000 1.908 487 A HA -0.274 4.047 4.320 0.000 0.000 0.218 487 A C 2.408 180.029 177.584 0.061 0.000 1.181 487 A CA 2.091 54.178 52.037 0.083 0.000 0.627 487 A CB -0.498 18.553 19.000 0.085 0.000 0.818 487 A HN 0.352 nan 8.150 nan 0.000 0.445 488 K N -0.581 119.832 120.400 0.022 0.000 2.057 488 K HA -0.116 4.204 4.320 0.000 0.000 0.207 488 K C 2.021 178.603 176.600 -0.029 0.000 1.049 488 K CA 1.421 57.711 56.287 0.005 0.000 0.931 488 K CB -0.592 31.903 32.500 -0.009 0.000 0.714 488 K HN 0.382 nan 8.250 nan 0.000 0.440 489 G N -0.214 108.520 108.800 -0.110 0.000 2.475 489 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 489 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 489 G C 0.857 175.579 174.900 -0.296 0.000 1.125 489 G CA 0.926 45.866 45.100 -0.267 0.000 0.755 489 G HN 0.449 nan 8.290 nan 0.000 0.565 490 Y N -0.031 120.325 120.300 0.095 0.000 2.607 490 Y HA 0.374 4.924 4.550 0.000 0.000 0.266 490 Y C 1.758 177.735 175.900 0.127 0.000 1.178 490 Y CA -0.207 58.006 58.100 0.189 0.000 1.226 490 Y CB 0.705 39.279 38.460 0.190 0.000 1.144 490 Y HN 0.263 nan 8.280 nan 0.000 0.528 491 G N 0.924 109.823 108.800 0.165 0.000 2.198 491 G HA2 -0.249 3.711 3.960 0.000 0.000 0.257 491 G HA3 -0.249 3.711 3.960 0.000 0.000 0.257 491 G C -0.510 174.427 174.900 0.061 0.000 1.042 491 G CA 0.178 45.330 45.100 0.086 0.000 0.791 491 G HN 0.142 nan 8.290 nan 0.000 0.502 492 V N 0.489 120.451 119.914 0.080 0.000 2.459 492 V HA 0.416 4.536 4.120 0.000 0.000 0.295 492 V C 0.820 176.957 176.094 0.072 0.000 1.029 492 V CA -0.754 61.591 62.300 0.076 0.000 0.874 492 V CB 1.884 33.756 31.823 0.082 0.000 0.985 492 V HN 0.514 nan 8.190 nan 0.000 0.438 493 Q N 2.519 122.361 119.800 0.070 0.000 2.286 493 Q HA 0.391 4.731 4.340 0.000 0.000 0.290 493 Q C -0.166 175.881 176.000 0.077 0.000 1.049 493 Q CA 0.151 55.991 55.803 0.062 0.000 0.923 493 Q CB 0.801 29.573 28.738 0.056 0.000 1.183 493 Q HN 0.943 nan 8.270 nan 0.000 0.383 494 A N 4.807 127.667 122.820 0.067 0.000 2.374 494 A HA 0.811 5.131 4.320 0.000 0.000 0.317 494 A C -1.313 176.309 177.584 0.065 0.000 1.094 494 A CA -0.703 51.380 52.037 0.077 0.000 0.765 494 A CB 1.158 20.204 19.000 0.077 0.000 1.268 494 A HN 0.740 nan 8.150 nan 0.000 0.438 495 L N 0.414 121.678 121.223 0.069 0.000 2.376 495 L HA 0.667 5.007 4.340 0.000 0.000 0.258 495 L C -0.572 176.331 176.870 0.056 0.000 1.013 495 L CA -1.021 53.852 54.840 0.054 0.000 0.822 495 L CB 2.539 44.627 42.059 0.048 0.000 1.388 495 L HN 0.720 nan 8.230 nan 0.000 0.413 496 K N 1.239 121.666 120.400 0.045 0.000 2.316 496 K HA 0.830 5.150 4.320 0.000 0.000 0.251 496 K C -1.339 175.278 176.600 0.029 0.000 0.934 496 K CA -0.282 56.031 56.287 0.043 0.000 0.802 496 K CB 2.175 34.700 32.500 0.043 0.000 1.171 496 K HN 0.631 nan 8.250 nan 0.000 0.426 497 A N 3.728 126.561 122.820 0.023 0.000 2.522 497 A HA 0.339 4.659 4.320 0.000 0.000 0.285 497 A C -0.788 176.799 177.584 0.005 0.000 1.198 497 A CA -0.616 51.428 52.037 0.011 0.000 0.742 497 A CB 0.514 19.517 19.000 0.005 0.000 1.176 497 A HN 0.840 nan 8.150 nan 0.000 0.444 498 D N 1.046 121.449 120.400 0.005 0.000 2.360 498 D HA 0.059 4.699 4.640 0.000 0.000 0.210 498 D C 0.047 176.342 176.300 -0.008 0.000 1.047 498 D CA 0.879 54.879 54.000 0.000 0.000 0.854 498 D CB 0.429 41.232 40.800 0.005 0.000 0.936 498 D HN 0.789 nan 8.370 nan 0.000 0.514 499 N N -1.142 117.554 118.700 -0.005 0.000 3.020 499 N HA 0.058 4.798 4.740 0.000 0.000 0.248 499 N C 0.273 175.781 175.510 -0.003 0.000 1.480 499 N CA -0.738 52.308 53.050 -0.006 0.000 0.874 499 N CB 1.091 39.578 38.487 -0.000 0.000 1.433 499 N HN -0.246 nan 8.380 nan 0.000 0.530 500 L N 0.023 121.247 121.223 0.002 0.000 2.043 500 L HA -0.042 4.298 4.340 0.000 0.000 0.212 500 L C 1.676 178.550 176.870 0.008 0.000 1.075 500 L CA 2.053 56.897 54.840 0.006 0.000 0.752 500 L CB -0.888 41.179 42.059 0.014 0.000 0.891 500 L HN 0.659 nan 8.230 nan 0.000 0.432 501 E N -0.389 119.817 120.200 0.009 0.000 2.077 501 E HA -0.241 4.109 4.350 0.000 0.000 0.193 501 E C 2.205 178.811 176.600 0.009 0.000 0.989 501 E CA 1.363 57.769 56.400 0.010 0.000 0.800 501 E CB -0.256 29.450 29.700 0.010 0.000 0.746 501 E HN 0.689 nan 8.360 nan 0.000 0.452 502 Q N 0.020 119.825 119.800 0.008 0.000 2.119 502 Q HA -0.124 4.216 4.340 0.000 0.000 0.201 502 Q C 2.270 178.276 176.000 0.010 0.000 0.972 502 Q CA 0.704 56.513 55.803 0.010 0.000 0.847 502 Q CB -0.142 28.601 28.738 0.009 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.425 122.652 121.223 0.005 0.000 1.989 503 L HA -0.229 4.111 4.340 0.000 0.000 0.211 503 L C 1.866 178.742 176.870 0.009 0.000 1.071 503 L CA 1.930 56.772 54.840 0.003 0.000 0.749 503 L CB -0.327 41.729 42.059 -0.006 0.000 0.890 503 L HN -0.001 nan 8.230 nan 0.000 0.431 504 K N -0.674 119.733 120.400 0.011 0.000 2.044 504 K HA -0.147 4.173 4.320 0.000 0.000 0.210 504 K C 2.004 178.612 176.600 0.014 0.000 1.049 504 K CA 1.399 57.694 56.287 0.014 0.000 0.927 504 K CB -0.858 31.650 32.500 0.014 0.000 0.713 504 K HN 0.582 nan 8.250 nan 0.000 0.443 505 G N 0.706 109.514 108.800 0.013 0.000 2.418 505 G HA2 -0.246 3.715 3.960 0.000 0.000 0.217 505 G HA3 -0.246 3.715 3.960 0.000 0.000 0.217 505 G C 1.547 176.456 174.900 0.016 0.000 1.158 505 G CA 0.983 46.092 45.100 0.014 0.000 0.771 505 G HN 0.197 nan 8.290 nan 0.000 0.545 506 S N 0.527 116.237 115.700 0.017 0.000 2.356 506 S HA -0.029 4.441 4.470 0.000 0.000 0.223 506 S C 2.308 176.921 174.600 0.022 0.000 1.032 506 S CA 0.899 59.112 58.200 0.022 0.000 1.005 506 S CB -0.345 62.869 63.200 0.023 0.000 0.867 506 S HN 0.293 nan 8.310 nan 0.000 0.449 507 L N 1.312 122.547 121.223 0.020 0.000 2.012 507 L HA -0.231 4.109 4.340 0.000 0.000 0.210 507 L C 2.901 179.781 176.870 0.016 0.000 1.073 507 L CA 1.650 56.502 54.840 0.020 0.000 0.748 507 L CB -0.533 41.540 42.059 0.023 0.000 0.891 507 L HN 0.416 nan 8.230 nan 0.000 0.431 508 Q N -0.010 119.799 119.800 0.015 0.000 2.096 508 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 508 Q C 2.125 178.131 176.000 0.011 0.000 0.982 508 Q CA 2.036 57.846 55.803 0.012 0.000 0.850 508 Q CB -0.015 28.730 28.738 0.012 0.000 0.901 508 Q HN 0.472 nan 8.270 nan 0.000 0.422 509 E N -0.660 119.548 120.200 0.014 0.000 2.047 509 E HA -0.185 4.165 4.350 0.000 0.000 0.191 509 E C 1.850 178.460 176.600 0.015 0.000 0.987 509 E CA 0.883 57.292 56.400 0.015 0.000 0.799 509 E CB -0.145 29.566 29.700 0.018 0.000 0.752 509 E HN 0.473 nan 8.360 nan 0.000 0.449 510 A N 1.082 123.913 122.820 0.018 0.000 1.865 510 A HA -0.188 4.132 4.320 0.000 0.000 0.217 510 A C 2.084 179.671 177.584 0.004 0.000 1.191 510 A CA 1.138 53.185 52.037 0.018 0.000 0.623 510 A CB -0.710 18.303 19.000 0.022 0.000 0.826 510 A HN 0.289 nan 8.150 nan 0.000 0.444 511 L N 0.838 122.060 121.223 -0.001 0.000 2.021 511 L HA -0.197 4.143 4.340 0.000 0.000 0.215 511 L C 2.907 179.772 176.870 -0.009 0.000 1.074 511 L CA 2.644 57.478 54.840 -0.011 0.000 0.760 511 L CB -1.104 40.951 42.059 -0.007 0.000 0.889 511 L HN 0.630 nan 8.230 nan 0.000 0.433 512 S N -1.511 114.188 115.700 -0.001 0.000 2.527 512 S HA 0.236 4.706 4.470 0.000 0.000 0.222 512 S C 1.114 175.715 174.600 0.002 0.000 0.985 512 S CA 0.096 58.295 58.200 -0.001 0.000 0.921 512 S CB -0.475 62.726 63.200 0.002 0.000 0.772 512 S HN 0.308 nan 8.310 nan 0.000 0.529 513 A N 2.053 124.876 122.820 0.005 0.000 2.483 513 A HA 0.366 4.687 4.320 0.000 0.000 0.238 513 A C 1.145 178.733 177.584 0.006 0.000 1.070 513 A CA -0.362 51.681 52.037 0.009 0.000 0.770 513 A CB 0.314 19.325 19.000 0.018 0.000 1.008 513 A HN 0.249 nan 8.150 nan 0.000 0.497 514 K N 1.319 121.723 120.400 0.007 0.000 2.426 514 K HA 0.104 4.424 4.320 0.000 0.000 0.193 514 K C 0.918 177.523 176.600 0.009 0.000 1.028 514 K CA 0.953 57.243 56.287 0.005 0.000 1.047 514 K CB 0.167 32.669 32.500 0.004 0.000 0.821 514 K HN 0.761 nan 8.250 nan 0.000 0.513 515 G N 1.958 110.767 108.800 0.016 0.000 3.140 515 G HA2 0.409 4.369 3.960 0.000 0.000 0.271 515 G HA3 0.409 4.369 3.960 0.000 0.000 0.271 515 G C -2.921 172.006 174.900 0.045 0.000 1.370 515 G CA -1.304 43.811 45.100 0.025 0.000 1.014 515 G HN -0.209 nan 8.290 nan 0.000 0.541 516 P HA 0.357 nan 4.420 nan 0.000 0.271 516 P C -0.839 176.556 177.300 0.159 0.000 1.218 516 P CA -0.091 63.097 63.100 0.147 0.000 0.780 516 P CB 1.661 33.512 31.700 0.251 0.000 0.901 517 V N 3.540 123.571 119.914 0.195 0.000 2.808 517 V HA 0.372 4.492 4.120 0.000 0.000 0.308 517 V C -0.083 176.174 176.094 0.271 0.000 1.099 517 V CA -0.758 61.647 62.300 0.175 0.000 0.920 517 V CB 2.189 34.069 31.823 0.095 0.000 1.014 517 V HN 0.476 nan 8.190 nan 0.000 0.425 518 L N 5.534 126.893 121.223 0.228 0.000 2.322 518 L HA 0.718 5.058 4.340 0.000 0.000 0.281 518 L C -1.164 175.792 176.870 0.144 0.000 1.014 518 L CA -0.382 54.597 54.840 0.233 0.000 0.815 518 L CB 1.355 43.514 42.059 0.165 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.601 125.245 120.570 0.122 0.000 2.382 519 I HA 0.312 4.482 4.170 0.000 0.000 0.286 519 I C -0.353 175.793 176.117 0.048 0.000 1.002 519 I CA -0.452 60.893 61.300 0.075 0.000 1.135 519 I CB 1.834 39.866 38.000 0.055 0.000 1.288 519 I HN 0.619 nan 8.210 nan 0.000 0.448 520 E N 6.351 126.584 120.200 0.054 0.000 2.152 520 E HA 0.358 4.708 4.350 0.000 0.000 0.285 520 E C -1.264 175.345 176.600 0.014 0.000 1.043 520 E CA -0.485 55.934 56.400 0.032 0.000 0.839 520 E CB 1.200 30.972 29.700 0.120 0.000 1.069 520 E HN 0.355 nan 8.360 nan 0.000 0.399 521 V N 3.931 123.831 119.914 -0.024 0.000 2.398 521 V HA 0.155 4.276 4.120 0.000 0.000 0.286 521 V C -0.058 176.021 176.094 -0.026 0.000 1.026 521 V CA -0.753 61.530 62.300 -0.027 0.000 0.868 521 V CB 1.676 33.468 31.823 -0.051 0.000 0.982 521 V HN 0.626 nan 8.190 nan 0.000 0.443 522 S N 3.915 119.606 115.700 -0.015 0.000 2.405 522 S HA 0.360 4.830 4.470 0.000 0.000 0.291 522 S C 0.527 175.104 174.600 -0.039 0.000 1.137 522 S CA -0.491 57.701 58.200 -0.013 0.000 1.061 522 S CB 0.254 63.451 63.200 -0.004 0.000 1.001 522 S HN 0.971 nan 8.310 nan 0.000 0.507 523 T N -0.656 113.874 114.554 -0.040 0.000 2.952 523 T HA 0.659 5.010 4.350 0.000 0.000 0.286 523 T C 0.285 174.948 174.700 -0.062 0.000 1.024 523 T CA -1.016 61.046 62.100 -0.063 0.000 1.029 523 T CB 0.968 69.805 68.868 -0.051 0.000 1.094 523 T HN 0.394 nan 8.240 nan 0.000 0.515 524 V N -0.643 119.209 119.914 -0.103 0.000 2.649 524 V HA 0.742 4.862 4.120 0.000 0.000 0.292 524 V C 0.707 176.794 176.094 -0.011 0.000 1.055 524 V CA -0.288 61.958 62.300 -0.090 0.000 1.023 524 V CB -0.440 31.262 31.823 -0.201 0.000 0.992 524 V HN 1.383 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.709 115.700 0.016 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.231 58.200 0.052 0.000 1.107 525 S CB 0.000 63.234 63.200 0.057 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517