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_I 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 0.000 177.670 177.584 0.144 0.000 1.274 2 A CA 0.000 52.113 52.037 0.127 0.000 0.836 2 A CB 0.000 19.093 19.000 0.155 0.000 0.831 3 S N -0.720 115.087 115.700 0.179 0.000 2.687 3 S HA 0.543 5.013 4.470 -0.000 0.000 0.283 3 S C 0.929 175.694 174.600 0.275 0.000 1.170 3 S CA 0.040 58.369 58.200 0.214 0.000 1.008 3 S CB 1.184 64.526 63.200 0.237 0.000 1.026 3 S HN 1.426 nan 8.310 nan 0.000 0.541 4 V N 1.659 121.744 119.914 0.285 0.000 2.392 4 V HA -0.202 3.918 4.120 -0.000 0.000 0.249 4 V C 2.547 178.951 176.094 0.517 0.000 1.059 4 V CA 2.274 64.759 62.300 0.308 0.000 1.051 4 V CB -1.407 30.525 31.823 0.182 0.000 0.658 4 V HN 1.044 nan 8.190 nan 0.000 0.455 5 H N 0.867 120.255 119.070 0.530 0.000 2.253 5 H HA -0.167 4.389 4.556 -0.000 0.000 0.296 5 H C 2.332 177.902 175.328 0.403 0.000 1.074 5 H CA 2.342 58.722 56.048 0.553 0.000 1.263 5 H CB -0.560 29.431 29.762 0.381 0.000 1.363 5 H HN 0.401 nan 8.280 nan 0.000 0.489 6 G N -0.454 108.621 108.800 0.458 0.000 2.446 6 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.217 6 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.217 6 G C 1.820 176.862 174.900 0.238 0.000 1.168 6 G CA 1.588 46.868 45.100 0.300 0.000 0.771 6 G HN 0.479 nan 8.290 nan 0.000 0.551 7 T N 0.883 115.609 114.554 0.287 0.000 2.788 7 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 7 T C 2.618 177.520 174.700 0.337 0.000 1.044 7 T CA 1.781 64.092 62.100 0.352 0.000 1.139 7 T CB -0.476 68.597 68.868 0.342 0.000 0.867 7 T HN 0.310 nan 8.240 nan 0.000 0.454 8 T N 0.859 115.579 114.554 0.276 0.000 2.737 8 T HA -0.063 4.287 4.350 -0.000 0.000 0.265 8 T C 1.644 176.344 174.700 -0.001 0.000 1.038 8 T CA 1.117 63.335 62.100 0.197 0.000 1.144 8 T CB -0.541 68.515 68.868 0.313 0.000 0.866 8 T HN 0.438 nan 8.240 nan 0.000 0.434 9 Y N 1.223 121.464 120.300 -0.098 0.000 2.274 9 Y HA -0.106 4.443 4.550 -0.000 0.000 0.290 9 Y C 2.656 178.486 175.900 -0.116 0.000 1.145 9 Y CA 1.189 59.112 58.100 -0.295 0.000 1.203 9 Y CB -0.130 37.982 38.460 -0.579 0.000 0.984 9 Y HN 0.180 nan 8.280 nan 0.000 0.533 10 E N 0.517 120.734 120.200 0.028 0.000 2.047 10 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 10 E C 2.022 178.494 176.600 -0.212 0.000 0.987 10 E CA 1.012 57.299 56.400 -0.187 0.000 0.799 10 E CB -0.555 28.874 29.700 -0.452 0.000 0.752 10 E HN 0.345 nan 8.360 nan 0.000 0.449 11 L N 0.300 121.550 121.223 0.045 0.000 2.012 11 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 11 L C 2.171 179.123 176.870 0.137 0.000 1.073 11 L CA 1.750 56.749 54.840 0.265 0.000 0.748 11 L CB -0.668 41.617 42.059 0.378 0.000 0.891 11 L HN 0.283 nan 8.230 nan 0.000 0.431 12 L N -0.334 120.950 121.223 0.101 0.000 1.989 12 L HA -0.248 4.092 4.340 -0.000 0.000 0.211 12 L C 2.908 179.858 176.870 0.134 0.000 1.071 12 L CA 2.104 57.008 54.840 0.107 0.000 0.749 12 L CB -0.729 41.367 42.059 0.061 0.000 0.890 12 L HN 0.424 nan 8.230 nan 0.000 0.431 13 R N -0.326 120.293 120.500 0.198 0.000 2.081 13 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 13 R C 2.247 178.541 176.300 -0.011 0.000 1.131 13 R CA 0.864 56.986 56.100 0.038 0.000 0.960 13 R CB -0.511 29.833 30.300 0.073 0.000 0.856 13 R HN 0.184 nan 8.270 nan 0.000 0.436 14 R N 0.664 121.159 120.500 -0.007 0.000 2.193 14 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 14 R C 1.453 177.787 176.300 0.056 0.000 1.110 14 R CA 0.912 57.017 56.100 0.009 0.000 0.988 14 R CB -0.136 30.166 30.300 0.003 0.000 0.871 14 R HN 0.436 nan 8.270 nan 0.000 0.458 15 Q N -0.583 119.252 119.800 0.058 0.000 2.246 15 Q HA 0.151 4.491 4.340 -0.000 0.000 0.202 15 Q C 0.689 176.704 176.000 0.024 0.000 0.883 15 Q CA 0.406 56.238 55.803 0.049 0.000 0.952 15 Q CB 0.922 29.680 28.738 0.033 0.000 1.078 15 Q HN 0.528 nan 8.270 nan 0.000 0.493 16 G N 1.130 109.933 108.800 0.005 0.000 2.176 16 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.253 16 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.253 16 G C 0.240 175.119 174.900 -0.036 0.000 0.979 16 G CA -0.071 45.020 45.100 -0.016 0.000 0.641 16 G HN 0.358 nan 8.290 nan 0.000 0.530 17 I N 1.487 122.034 120.570 -0.037 0.000 2.365 17 I HA 0.444 4.614 4.170 -0.000 0.000 0.291 17 I C 0.674 176.585 176.117 -0.343 0.000 1.004 17 I CA 0.123 61.398 61.300 -0.042 0.000 1.311 17 I CB 1.352 39.395 38.000 0.071 0.000 1.401 17 I HN 0.247 nan 8.210 nan 0.000 0.491 18 D N 1.525 121.699 120.400 -0.378 0.000 2.497 18 D HA 0.076 4.716 4.640 -0.000 0.000 0.256 18 D C -0.124 175.952 176.300 -0.373 0.000 1.273 18 D CA -0.034 53.471 54.000 -0.825 0.000 0.812 18 D CB 0.491 40.960 40.800 -0.552 0.000 1.190 18 D HN 0.281 nan 8.370 nan 0.000 0.524 19 T N 0.231 114.729 114.554 -0.093 0.000 2.881 19 T HA 0.583 4.933 4.350 -0.000 0.000 0.290 19 T C -0.831 173.872 174.700 0.006 0.000 1.000 19 T CA -0.606 61.423 62.100 -0.118 0.000 0.978 19 T CB 2.529 71.158 68.868 -0.398 0.000 0.997 19 T HN -0.117 nan 8.240 nan 0.000 0.443 20 V N 3.952 123.867 119.914 0.002 0.000 2.378 20 V HA 0.500 4.620 4.120 -0.000 0.000 0.288 20 V C -0.982 174.887 176.094 -0.375 0.000 1.016 20 V CA -0.849 61.560 62.300 0.182 0.000 0.840 20 V CB 0.638 32.803 31.823 0.570 0.000 0.994 20 V HN 0.794 nan 8.190 nan 0.000 0.431 21 F N 3.248 123.151 119.950 -0.078 0.000 2.410 21 F HA 0.843 5.370 4.527 -0.000 0.000 0.349 21 F C 0.906 176.576 175.800 -0.217 0.000 1.117 21 F CA -0.016 57.834 58.000 -0.250 0.000 1.104 21 F CB 1.839 40.749 39.000 -0.150 0.000 1.122 21 F HN 0.661 nan 8.300 nan 0.000 0.483 22 G N 2.183 110.864 108.800 -0.197 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 -2.230 172.753 174.900 0.139 0.000 1.339 22 G CA -0.915 44.198 45.100 0.022 0.000 0.803 22 G HN 0.531 nan 8.290 nan 0.000 0.482 23 N N 1.116 119.949 118.700 0.221 0.000 2.558 23 N HA 0.375 5.114 4.740 -0.000 0.000 0.285 23 N C -2.809 172.819 175.510 0.197 0.000 1.112 23 N CA -1.140 52.031 53.050 0.202 0.000 0.857 23 N CB 3.059 41.622 38.487 0.126 0.000 1.376 23 N HN 0.379 nan 8.380 nan 0.000 0.526 24 P HA 0.242 nan 4.420 nan 0.000 0.269 24 P C -0.164 177.103 177.300 -0.055 0.000 1.217 24 P CA 0.204 63.350 63.100 0.077 0.000 0.783 24 P CB 1.231 32.923 31.700 -0.013 0.000 0.898 25 G N -0.623 108.115 108.800 -0.104 0.000 2.660 25 G HA2 0.360 4.320 3.960 -0.000 0.000 0.290 25 G HA3 0.360 4.320 3.960 -0.000 0.000 0.290 25 G C 0.736 175.535 174.900 -0.168 0.000 1.432 25 G CA 0.050 44.865 45.100 -0.475 0.000 0.807 25 G HN 0.427 nan 8.290 nan 0.000 0.485 26 S N 0.185 115.780 115.700 -0.175 0.000 2.383 26 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 26 S C 1.728 176.290 174.600 -0.064 0.000 1.030 26 S CA 1.736 59.881 58.200 -0.091 0.000 1.002 26 S CB -0.300 62.843 63.200 -0.096 0.000 0.829 26 S HN 0.440 nan 8.310 nan 0.000 0.467 27 N N 1.945 120.746 118.700 0.169 0.000 2.443 27 N HA -0.018 4.722 4.740 -0.000 0.000 0.184 27 N C 1.065 176.754 175.510 0.299 0.000 1.037 27 N CA 1.240 54.432 53.050 0.237 0.000 0.896 27 N CB -0.317 38.368 38.487 0.331 0.000 0.959 27 N HN 0.634 nan 8.380 nan 0.000 0.442 28 E N -0.526 119.826 120.200 0.252 0.000 2.476 28 E HA 0.216 4.566 4.350 -0.000 0.000 0.199 28 E C 1.751 178.468 176.600 0.196 0.000 1.021 28 E CA -0.155 56.414 56.400 0.282 0.000 0.907 28 E CB 0.070 29.946 29.700 0.294 0.000 0.974 28 E HN 0.214 nan 8.360 nan 0.000 0.489 29 L N 1.021 122.292 121.223 0.080 0.000 2.042 29 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 29 L C -0.656 176.241 176.870 0.045 0.000 1.076 29 L CA 1.499 56.346 54.840 0.013 0.000 0.749 29 L CB -1.373 40.654 42.059 -0.054 0.000 0.893 29 L HN 0.134 nan 8.230 nan 0.000 0.432 30 P HA -0.204 nan 4.420 nan 0.000 0.221 30 P C 1.301 178.675 177.300 0.124 0.000 1.145 30 P CA 1.307 64.530 63.100 0.205 0.000 0.795 30 P CB 0.009 31.985 31.700 0.461 0.000 0.775 31 F N -0.415 119.372 119.950 -0.272 0.000 2.317 31 F HA 0.085 4.612 4.527 -0.000 0.000 0.293 31 F C 1.697 177.461 175.800 -0.059 0.000 1.085 31 F CA 0.991 58.600 58.000 -0.651 0.000 1.390 31 F CB -0.619 37.744 39.000 -1.061 0.000 1.077 31 F HN -0.289 nan 8.300 nan 0.000 0.517 32 L N 1.077 122.206 121.223 -0.157 0.000 2.313 32 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 32 L C 1.063 177.882 176.870 -0.086 0.000 1.119 32 L CA 0.225 54.964 54.840 -0.169 0.000 0.809 32 L CB -0.807 41.163 42.059 -0.147 0.000 0.933 32 L HN 0.039 nan 8.230 nan 0.000 0.449 33 K N 0.345 120.704 120.400 -0.068 0.000 2.469 33 K HA -0.078 4.242 4.320 -0.000 0.000 0.274 33 K C -0.332 176.205 176.600 -0.106 0.000 0.983 33 K CA -0.063 56.169 56.287 -0.091 0.000 0.974 33 K CB 0.328 32.766 32.500 -0.103 0.000 0.913 33 K HN 0.011 nan 8.250 nan 0.000 0.493 34 D N 0.651 120.984 120.400 -0.112 0.000 2.723 34 D HA -0.212 4.428 4.640 -0.000 0.000 0.236 34 D C -0.709 175.493 176.300 -0.163 0.000 1.138 34 D CA 0.759 54.679 54.000 -0.134 0.000 0.676 34 D CB -1.336 39.340 40.800 -0.208 0.000 1.069 34 D HN 0.512 nan 8.370 nan 0.000 0.430 35 F N 1.133 120.895 119.950 -0.313 0.000 2.593 35 F HA 0.150 4.677 4.527 -0.000 0.000 0.393 35 F C -1.386 174.183 175.800 -0.386 0.000 1.037 35 F CA -1.289 56.453 58.000 -0.431 0.000 1.195 35 F CB 0.314 39.148 39.000 -0.276 0.000 1.034 35 F HN -0.137 nan 8.300 nan 0.000 0.552 36 P HA -0.042 nan 4.420 nan 0.000 0.265 36 P C 0.276 177.393 177.300 -0.306 0.000 1.187 36 P CA 0.281 63.029 63.100 -0.587 0.000 0.766 36 P CB 0.478 31.752 31.700 -0.711 0.000 0.820 37 E N 1.539 121.660 120.200 -0.132 0.000 2.338 37 E HA -0.148 4.202 4.350 -0.000 0.000 0.197 37 E C 0.738 177.329 176.600 -0.015 0.000 1.007 37 E CA 0.882 57.257 56.400 -0.041 0.000 0.849 37 E CB -0.074 29.608 29.700 -0.031 0.000 0.774 37 E HN 0.618 nan 8.360 nan 0.000 0.506 38 D N -0.279 120.120 120.400 -0.001 0.000 2.328 38 D HA -0.027 4.612 4.640 -0.000 0.000 0.221 38 D C 0.042 176.274 176.300 -0.113 0.000 1.072 38 D CA -0.008 53.972 54.000 -0.034 0.000 0.850 38 D CB -0.136 40.635 40.800 -0.049 0.000 0.922 38 D HN -0.041 nan 8.370 nan 0.000 0.516 39 F N 1.200 121.001 119.950 -0.250 0.000 2.556 39 F HA 0.477 5.004 4.527 -0.000 0.000 0.327 39 F C 0.654 176.458 175.800 0.005 0.000 1.059 39 F CA -1.169 56.681 58.000 -0.249 0.000 0.953 39 F CB 1.721 40.325 39.000 -0.660 0.000 1.227 39 F HN -0.218 nan 8.300 nan 0.000 0.478 40 R N 1.109 121.795 120.500 0.310 0.000 2.686 40 R HA 0.577 4.917 4.340 -0.000 0.000 0.286 40 R C -2.220 174.283 176.300 0.338 0.000 0.969 40 R CA -0.876 55.416 56.100 0.319 0.000 0.898 40 R CB 1.746 32.070 30.300 0.041 0.000 1.183 40 R HN 0.680 nan 8.270 nan 0.000 0.456 41 Y N 3.286 123.620 120.300 0.057 0.000 2.341 41 Y HA 0.452 5.002 4.550 -0.000 0.000 0.337 41 Y C -0.840 174.899 175.900 -0.268 0.000 1.014 41 Y CA -1.216 56.780 58.100 -0.173 0.000 1.111 41 Y CB 1.435 39.622 38.460 -0.454 0.000 1.194 41 Y HN 0.526 nan 8.280 nan 0.000 0.462 42 I N 8.100 128.222 120.570 -0.746 0.000 2.354 42 I HA 0.193 4.363 4.170 -0.000 0.000 0.286 42 I C -0.845 175.043 176.117 -0.382 0.000 1.007 42 I CA -0.788 60.097 61.300 -0.692 0.000 1.167 42 I CB 0.955 38.484 38.000 -0.786 0.000 1.320 42 I HN 0.504 nan 8.210 nan 0.000 0.458 43 L N 6.753 128.069 121.223 0.156 0.000 2.312 43 L HA 0.803 5.143 4.340 -0.000 0.000 0.281 43 L C -0.076 177.033 176.870 0.398 0.000 1.070 43 L CA 0.131 55.188 54.840 0.361 0.000 0.805 43 L CB 1.345 43.769 42.059 0.608 0.000 1.174 43 L HN 0.693 nan 8.230 nan 0.000 0.434 44 A N 4.849 127.827 122.820 0.263 0.000 2.435 44 A HA 0.537 4.857 4.320 -0.000 0.000 0.304 44 A C 0.403 178.053 177.584 0.109 0.000 1.064 44 A CA -0.637 51.532 52.037 0.219 0.000 0.727 44 A CB 1.077 20.160 19.000 0.139 0.000 1.284 44 A HN 0.869 nan 8.150 nan 0.000 0.415 45 L N 0.038 121.268 121.223 0.011 0.000 2.465 45 L HA 0.048 4.387 4.340 -0.000 0.000 0.224 45 L C 0.949 177.788 176.870 -0.051 0.000 1.145 45 L CA 0.986 55.757 54.840 -0.115 0.000 0.834 45 L CB -0.044 41.857 42.059 -0.264 0.000 0.944 45 L HN 0.709 nan 8.230 nan 0.000 0.451 46 Q N -0.612 119.186 119.800 -0.004 0.000 2.353 46 Q HA 0.109 4.449 4.340 -0.000 0.000 0.275 46 Q C -0.164 175.862 176.000 0.043 0.000 1.029 46 Q CA -0.298 55.517 55.803 0.019 0.000 0.848 46 Q CB 2.309 31.055 28.738 0.014 0.000 1.390 46 Q HN -0.027 nan 8.270 nan 0.000 0.401 47 E N 1.392 121.626 120.200 0.056 0.000 2.147 47 E HA -0.215 4.134 4.350 -0.000 0.000 0.199 47 E C 1.530 178.163 176.600 0.055 0.000 1.005 47 E CA 2.015 58.454 56.400 0.064 0.000 0.810 47 E CB -0.011 29.732 29.700 0.072 0.000 0.736 47 E HN 0.661 nan 8.360 nan 0.000 0.460 48 A N -0.020 122.832 122.820 0.054 0.000 1.972 48 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 48 A C 2.292 179.905 177.584 0.048 0.000 1.169 48 A CA 1.411 53.483 52.037 0.057 0.000 0.635 48 A CB -0.726 18.317 19.000 0.072 0.000 0.810 48 A HN 0.427 nan 8.150 nan 0.000 0.446 49 C N -1.587 117.739 119.300 0.042 0.000 2.486 49 C HA 0.032 4.492 4.460 -0.000 0.000 0.279 49 C C 2.651 177.657 174.990 0.026 0.000 1.302 49 C CA 0.582 59.618 59.018 0.030 0.000 1.720 49 C CB -1.171 26.587 27.740 0.029 0.000 2.030 49 C HN 0.438 nan 8.230 nan 0.000 0.490 50 V N 1.263 121.205 119.914 0.045 0.000 2.233 50 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 50 V C 2.481 178.573 176.094 -0.003 0.000 1.050 50 V CA 2.378 64.711 62.300 0.055 0.000 1.010 50 V CB -0.834 31.035 31.823 0.077 0.000 0.637 50 V HN 0.445 nan 8.190 nan 0.000 0.444 51 V N 0.764 120.681 119.914 0.005 0.000 2.407 51 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 51 V C 2.601 178.668 176.094 -0.045 0.000 1.055 51 V CA 2.040 64.329 62.300 -0.019 0.000 1.049 51 V CB -1.413 30.425 31.823 0.026 0.000 0.662 51 V HN 0.633 nan 8.190 nan 0.000 0.455 52 G N 0.021 108.808 108.800 -0.022 0.000 2.418 52 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.217 52 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.217 52 G C 1.568 176.367 174.900 -0.168 0.000 1.158 52 G CA 1.033 46.104 45.100 -0.048 0.000 0.771 52 G HN 0.485 nan 8.290 nan 0.000 0.545 53 I N 1.362 121.831 120.570 -0.168 0.000 2.179 53 I HA -0.172 3.998 4.170 -0.000 0.000 0.242 53 I C 3.320 179.154 176.117 -0.472 0.000 1.088 53 I CA 1.022 62.189 61.300 -0.221 0.000 1.357 53 I CB -0.304 37.645 38.000 -0.085 0.000 1.051 53 I HN 0.243 nan 8.210 nan 0.000 0.409 54 A N 0.281 122.661 122.820 -0.733 0.000 1.940 54 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 54 A C 2.076 179.412 177.584 -0.413 0.000 1.176 54 A CA 2.196 53.572 52.037 -1.101 0.000 0.631 54 A CB -0.651 17.882 19.000 -0.778 0.000 0.814 54 A HN 0.444 nan 8.150 nan 0.000 0.446 55 D N -0.344 119.931 120.400 -0.207 0.000 2.084 55 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 55 D C 2.113 178.379 176.300 -0.055 0.000 0.990 55 D CA 1.736 55.714 54.000 -0.036 0.000 0.826 55 D CB -0.638 40.237 40.800 0.124 0.000 0.971 55 D HN 0.310 nan 8.370 nan 0.000 0.453 56 G N -0.901 107.806 108.800 -0.156 0.000 2.440 56 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 56 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 56 G C 1.699 176.487 174.900 -0.188 0.000 1.154 56 G CA 0.964 45.904 45.100 -0.268 0.000 0.767 56 G HN 0.371 nan 8.290 nan 0.000 0.552 57 Y N 1.975 122.119 120.300 -0.258 0.000 2.128 57 Y HA -0.042 4.508 4.550 -0.000 0.000 0.284 57 Y C 2.943 178.790 175.900 -0.087 0.000 1.154 57 Y CA 1.542 59.551 58.100 -0.152 0.000 1.149 57 Y CB -0.366 37.998 38.460 -0.160 0.000 0.976 57 Y HN 0.254 nan 8.280 nan 0.000 0.505 58 A N 0.038 122.865 122.820 0.011 0.000 1.877 58 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 58 A C 2.122 179.684 177.584 -0.038 0.000 1.186 58 A CA 1.866 53.901 52.037 -0.003 0.000 0.620 58 A CB -0.781 18.248 19.000 0.049 0.000 0.822 58 A HN 0.645 nan 8.150 nan 0.000 0.443 59 Q N -0.721 119.061 119.800 -0.029 0.000 2.096 59 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 59 Q C 2.410 178.439 176.000 0.047 0.000 0.982 59 Q CA 1.510 57.335 55.803 0.037 0.000 0.850 59 Q CB -0.351 28.426 28.738 0.064 0.000 0.901 59 Q HN 0.693 nan 8.270 nan 0.000 0.422 60 A N 1.018 123.791 122.820 -0.078 0.000 1.898 60 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 60 A C 2.233 179.770 177.584 -0.079 0.000 1.183 60 A CA 1.491 53.513 52.037 -0.023 0.000 0.622 60 A CB -0.453 18.485 19.000 -0.102 0.000 0.824 60 A HN 0.428 nan 8.150 nan 0.000 0.444 61 S N -1.276 114.297 115.700 -0.212 0.000 2.481 61 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 61 S C 0.983 175.517 174.600 -0.110 0.000 0.996 61 S CA 0.700 58.757 58.200 -0.239 0.000 0.942 61 S CB -0.361 62.543 63.200 -0.494 0.000 0.768 61 S HN 0.525 nan 8.310 nan 0.000 0.520 62 R N 0.328 120.794 120.500 -0.056 0.000 3.651 62 R HA -0.115 4.224 4.340 -0.000 0.000 0.292 62 R C -0.897 175.400 176.300 -0.006 0.000 1.161 62 R CA 1.020 57.116 56.100 -0.007 0.000 0.787 62 R CB -1.997 28.308 30.300 0.007 0.000 1.249 62 R HN 0.564 nan 8.270 nan 0.000 0.476 63 K N 0.012 120.403 120.400 -0.014 0.000 2.508 63 K HA 0.434 4.754 4.320 -0.000 0.000 0.260 63 K C -2.539 174.095 176.600 0.057 0.000 0.949 63 K CA -2.014 54.283 56.287 0.017 0.000 0.834 63 K CB 2.589 35.095 32.500 0.011 0.000 1.365 63 K HN -0.220 nan 8.250 nan 0.000 0.437 64 P HA 0.030 nan 4.420 nan 0.000 0.269 64 P C -1.273 176.152 177.300 0.209 0.000 1.215 64 P CA -0.197 62.977 63.100 0.122 0.000 0.780 64 P CB 0.799 32.564 31.700 0.107 0.000 0.898 65 A N 2.748 125.707 122.820 0.231 0.000 2.342 65 A HA 0.581 4.901 4.320 -0.000 0.000 0.323 65 A C -1.140 176.656 177.584 0.353 0.000 1.125 65 A CA -0.650 51.594 52.037 0.346 0.000 0.785 65 A CB 0.561 19.696 19.000 0.224 0.000 1.221 65 A HN 0.503 nan 8.150 nan 0.000 0.463 66 F N 2.609 122.749 119.950 0.316 0.000 2.408 66 F HA 0.728 5.255 4.527 -0.000 0.000 0.344 66 F C -0.449 175.537 175.800 0.309 0.000 1.112 66 F CA -0.551 57.610 58.000 0.267 0.000 1.096 66 F CB 0.760 39.914 39.000 0.257 0.000 1.129 66 F HN 0.434 nan 8.300 nan 0.000 0.486 67 I N 4.631 124.992 120.570 -0.349 0.000 2.689 67 I HA 0.317 4.487 4.170 -0.000 0.000 0.299 67 I C -1.213 174.717 176.117 -0.313 0.000 1.059 67 I CA -0.989 60.228 61.300 -0.138 0.000 1.055 67 I CB 2.281 40.249 38.000 -0.054 0.000 1.243 67 I HN 0.531 nan 8.210 nan 0.000 0.425 68 N N 5.864 124.566 118.700 0.005 0.000 2.504 68 N HA 0.577 5.316 4.740 -0.000 0.000 0.280 68 N C -1.626 173.969 175.510 0.141 0.000 1.052 68 N CA -0.328 52.772 53.050 0.084 0.000 0.887 68 N CB 1.062 39.772 38.487 0.371 0.000 1.323 68 N HN 0.474 nan 8.380 nan 0.000 0.509 69 L N 1.098 122.383 121.223 0.104 0.000 2.304 69 L HA 0.484 4.823 4.340 -0.000 0.000 0.268 69 L C -0.291 176.695 176.870 0.193 0.000 1.010 69 L CA -1.227 53.704 54.840 0.151 0.000 0.813 69 L CB 1.268 43.407 42.059 0.133 0.000 1.315 69 L HN 0.577 nan 8.230 nan 0.000 0.445 70 H N 0.483 119.613 119.070 0.101 0.000 2.641 70 H HA 0.309 4.865 4.556 -0.000 0.000 0.295 70 H C 0.292 175.676 175.328 0.093 0.000 1.070 70 H CA 0.648 56.754 56.048 0.096 0.000 1.257 70 H CB 0.693 30.503 29.762 0.081 0.000 1.393 70 H HN 0.695 nan 8.280 nan 0.000 0.464 71 S N 2.934 118.473 115.700 -0.268 0.000 3.055 71 S HA -0.378 4.092 4.470 -0.000 0.000 0.628 71 S C 1.776 176.338 174.600 -0.064 0.000 3.040 71 S CA 1.634 59.702 58.200 -0.220 0.000 3.787 71 S CB -1.280 61.663 63.200 -0.429 0.000 0.299 71 S HN 1.098 nan 8.310 nan 0.000 1.470 72 A N 0.518 123.302 122.820 -0.060 0.000 1.855 72 A HA 0.272 4.591 4.320 -0.000 0.000 0.215 72 A C 2.693 180.273 177.584 -0.006 0.000 1.191 72 A CA 2.773 54.801 52.037 -0.015 0.000 0.613 72 A CB -1.634 17.352 19.000 -0.023 0.000 0.829 72 A HN 1.779 nan 8.150 nan 0.000 0.442 73 A N -0.466 122.352 122.820 -0.003 0.000 1.892 73 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 73 A C 2.428 180.044 177.584 0.055 0.000 1.188 73 A CA 2.207 54.264 52.037 0.032 0.000 0.631 73 A CB -1.472 17.566 19.000 0.063 0.000 0.822 73 A HN 0.770 nan 8.150 nan 0.000 0.447 74 G N -1.400 107.447 108.800 0.079 0.000 2.404 74 G HA2 -0.129 3.830 3.960 -0.000 0.000 0.215 74 G HA3 -0.129 3.830 3.960 -0.000 0.000 0.215 74 G C 1.587 176.537 174.900 0.083 0.000 1.174 74 G CA 1.627 46.792 45.100 0.109 0.000 0.780 74 G HN 0.433 nan 8.290 nan 0.000 0.537 75 T N 1.090 115.691 114.554 0.079 0.000 2.708 75 T HA -0.061 4.288 4.350 -0.000 0.000 0.266 75 T C 2.499 177.199 174.700 -0.000 0.000 1.037 75 T CA 1.517 63.656 62.100 0.065 0.000 1.146 75 T CB -0.674 68.235 68.868 0.068 0.000 0.865 75 T HN 0.358 nan 8.240 nan 0.000 0.435 76 G N 2.308 111.103 108.800 -0.007 0.000 2.476 76 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.218 76 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.218 76 G C 1.584 176.486 174.900 0.002 0.000 1.164 76 G CA 0.780 45.869 45.100 -0.018 0.000 0.768 76 G HN 0.406 nan 8.290 nan 0.000 0.560 77 N N 1.033 119.748 118.700 0.025 0.000 2.443 77 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 77 N C 1.892 177.425 175.510 0.037 0.000 1.037 77 N CA 0.966 54.038 53.050 0.036 0.000 0.896 77 N CB -0.104 38.412 38.487 0.048 0.000 0.959 77 N HN 0.372 nan 8.380 nan 0.000 0.442 78 A N -0.347 122.491 122.820 0.030 0.000 2.348 78 A HA 0.190 4.510 4.320 -0.000 0.000 0.224 78 A C 1.869 179.461 177.584 0.012 0.000 1.227 78 A CA -0.140 51.917 52.037 0.032 0.000 0.885 78 A CB 0.052 19.078 19.000 0.044 0.000 0.933 78 A HN -0.009 nan 8.150 nan 0.000 0.506 79 M N -0.127 119.467 119.600 -0.010 0.000 2.108 79 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 79 M C 2.196 178.483 176.300 -0.021 0.000 1.066 79 M CA 1.712 56.991 55.300 -0.035 0.000 1.107 79 M CB -1.660 30.907 32.600 -0.054 0.000 1.356 79 M HN 0.475 nan 8.290 nan 0.000 0.406 80 G N -0.151 108.647 108.800 -0.003 0.000 2.418 80 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 80 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 80 G C 1.680 176.583 174.900 0.005 0.000 1.158 80 G CA 1.237 46.336 45.100 -0.003 0.000 0.771 80 G HN 0.551 nan 8.290 nan 0.000 0.545 81 A N 0.575 123.414 122.820 0.031 0.000 1.902 81 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 81 A C 2.408 180.020 177.584 0.048 0.000 1.181 81 A CA 1.195 53.266 52.037 0.057 0.000 0.623 81 A CB -0.395 18.647 19.000 0.071 0.000 0.818 81 A HN 0.355 nan 8.150 nan 0.000 0.443 82 L N 0.524 121.769 121.223 0.036 0.000 2.191 82 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 82 L C 2.987 179.895 176.870 0.064 0.000 1.103 82 L CA 1.424 56.296 54.840 0.053 0.000 0.769 82 L CB -0.479 41.597 42.059 0.029 0.000 0.908 82 L HN 0.660 nan 8.230 nan 0.000 0.438 83 S N -0.396 115.313 115.700 0.014 0.000 2.382 83 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 83 S C 1.763 176.384 174.600 0.034 0.000 1.027 83 S CA 1.160 59.365 58.200 0.007 0.000 0.991 83 S CB -0.336 62.838 63.200 -0.043 0.000 0.823 83 S HN 0.432 nan 8.310 nan 0.000 0.469 84 N N 2.467 121.151 118.700 -0.026 0.000 2.135 84 N HA 0.103 4.843 4.740 -0.000 0.000 0.186 84 N C 2.118 177.587 175.510 -0.068 0.000 1.027 84 N CA 1.459 54.439 53.050 -0.117 0.000 0.849 84 N CB -0.999 37.337 38.487 -0.252 0.000 1.002 84 N HN 0.593 nan 8.380 nan 0.000 0.425 85 A N 1.550 124.377 122.820 0.011 0.000 1.948 85 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 85 A C 2.043 179.671 177.584 0.073 0.000 1.177 85 A CA 1.221 53.287 52.037 0.048 0.000 0.636 85 A CB -1.125 17.929 19.000 0.090 0.000 0.815 85 A HN 0.613 nan 8.150 nan 0.000 0.449 86 W N 1.056 122.326 121.300 -0.051 0.000 2.358 86 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 86 W C 1.336 177.779 176.519 -0.126 0.000 1.208 86 W CA 1.974 59.291 57.345 -0.046 0.000 1.274 86 W CB -0.474 28.963 29.460 -0.038 0.000 1.138 86 W HN 0.413 nan 8.180 nan 0.000 0.515 87 N N 0.269 118.968 118.700 -0.003 0.000 2.396 87 N HA -0.138 4.602 4.740 -0.000 0.000 0.180 87 N C 1.758 177.072 175.510 -0.327 0.000 1.028 87 N CA 1.952 54.902 53.050 -0.167 0.000 0.893 87 N CB -0.396 38.065 38.487 -0.043 0.000 0.967 87 N HN 0.128 nan 8.380 nan 0.000 0.440 88 S N -1.573 113.988 115.700 -0.231 0.000 2.556 88 S HA 0.099 4.569 4.470 -0.000 0.000 0.216 88 S C -0.130 174.422 174.600 -0.080 0.000 0.970 88 S CA -0.323 57.787 58.200 -0.149 0.000 0.912 88 S CB -0.536 62.628 63.200 -0.060 0.000 0.790 88 S HN 0.391 nan 8.310 nan 0.000 0.504 89 H N 0.895 119.891 119.070 -0.123 0.000 2.791 89 H HA -0.131 4.425 4.556 -0.000 0.000 0.302 89 H C -0.665 174.629 175.328 -0.056 0.000 1.198 89 H CA 0.400 56.364 56.048 -0.140 0.000 1.145 89 H CB -2.140 27.549 29.762 -0.121 0.000 1.385 89 H HN 0.376 nan 8.280 nan 0.000 0.409 90 S N 2.487 118.226 115.700 0.065 0.000 2.481 90 S HA 0.123 4.592 4.470 -0.000 0.000 0.276 90 S C -1.820 172.823 174.600 0.072 0.000 1.247 90 S CA -1.008 57.235 58.200 0.072 0.000 1.053 90 S CB 0.951 64.191 63.200 0.067 0.000 0.925 90 S HN 0.211 nan 8.310 nan 0.000 0.491 91 P HA 0.194 nan 4.420 nan 0.000 0.263 91 P C -1.060 176.293 177.300 0.088 0.000 1.601 91 P CA 0.002 63.146 63.100 0.072 0.000 1.161 91 P CB -0.190 31.545 31.700 0.060 0.000 1.730 92 L N 4.493 125.772 121.223 0.094 0.000 2.313 92 L HA 0.510 4.850 4.340 -0.000 0.000 0.283 92 L C 0.685 177.612 176.870 0.095 0.000 1.013 92 L CA -0.985 53.909 54.840 0.089 0.000 0.816 92 L CB 1.973 44.075 42.059 0.072 0.000 1.236 92 L HN 0.154 nan 8.230 nan 0.000 0.419 93 I N 4.215 124.829 120.570 0.073 0.000 2.310 93 I HA 0.193 4.362 4.170 -0.000 0.000 0.287 93 I C -0.300 175.732 176.117 -0.142 0.000 1.073 93 I CA -0.528 60.790 61.300 0.031 0.000 1.216 93 I CB 1.206 39.272 38.000 0.110 0.000 1.415 93 I HN 0.249 nan 8.210 nan 0.000 0.480 94 V N 5.262 125.149 119.914 -0.045 0.000 2.368 94 V HA 0.264 4.384 4.120 -0.000 0.000 0.266 94 V C 0.619 176.598 176.094 -0.192 0.000 1.045 94 V CA -0.344 61.914 62.300 -0.069 0.000 0.899 94 V CB 1.020 32.935 31.823 0.153 0.000 1.006 94 V HN 0.793 nan 8.190 nan 0.000 0.470 95 T N 2.326 116.682 114.554 -0.331 0.000 2.823 95 T HA 0.863 5.213 4.350 -0.000 0.000 0.279 95 T C -0.413 174.147 174.700 -0.232 0.000 0.998 95 T CA -0.537 61.358 62.100 -0.342 0.000 0.994 95 T CB 1.963 70.626 68.868 -0.341 0.000 0.960 95 T HN 0.950 nan 8.240 nan 0.000 0.448 96 A N 2.022 124.681 122.820 -0.268 0.000 2.393 96 A HA 0.863 5.183 4.320 -0.000 0.000 0.306 96 A C 0.382 177.945 177.584 -0.035 0.000 1.050 96 A CA -0.729 51.253 52.037 -0.092 0.000 0.724 96 A CB 1.249 20.236 19.000 -0.021 0.000 1.248 96 A HN 1.336 nan 8.150 nan 0.000 0.424 97 G N 0.629 109.476 108.800 0.077 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 -0.114 174.839 174.900 0.090 0.000 1.270 97 G CA 0.037 45.232 45.100 0.159 0.000 0.876 97 G HN 0.842 nan 8.290 nan 0.000 0.521 98 Q N 0.622 120.484 119.800 0.104 0.000 2.204 98 Q HA 0.337 4.677 4.340 -0.000 0.000 0.254 98 Q C 0.333 176.411 176.000 0.131 0.000 0.981 98 Q CA -0.637 55.197 55.803 0.051 0.000 0.897 98 Q CB 1.012 29.735 28.738 -0.025 0.000 1.273 98 Q HN 0.505 nan 8.270 nan 0.000 0.464 99 Q N 0.247 120.094 119.800 0.078 0.000 2.492 99 Q HA 0.099 4.439 4.340 -0.000 0.000 0.238 99 Q C -0.564 175.343 176.000 -0.154 0.000 1.045 99 Q CA 0.208 56.071 55.803 0.099 0.000 0.934 99 Q CB 0.804 29.576 28.738 0.057 0.000 1.276 99 Q HN 0.834 nan 8.270 nan 0.000 0.521 100 T N 0.720 114.993 114.554 -0.469 0.000 2.928 100 T HA 0.033 4.383 4.350 -0.000 0.000 0.305 100 T C 1.290 175.821 174.700 -0.282 0.000 1.035 100 T CA 0.075 61.777 62.100 -0.664 0.000 1.145 100 T CB 0.330 68.723 68.868 -0.791 0.000 0.963 100 T HN 0.509 nan 8.240 nan 0.000 0.545 101 R N 3.267 123.629 120.500 -0.230 0.000 2.154 101 R HA -0.174 4.165 4.340 -0.000 0.000 0.248 101 R C 2.515 178.752 176.300 -0.105 0.000 1.155 101 R CA 1.578 57.593 56.100 -0.142 0.000 0.979 101 R CB -0.545 29.680 30.300 -0.124 0.000 0.869 101 R HN 0.762 nan 8.270 nan 0.000 0.452 102 A N 0.166 122.921 122.820 -0.108 0.000 2.121 102 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 102 A C 1.739 179.294 177.584 -0.048 0.000 1.154 102 A CA 1.058 53.055 52.037 -0.066 0.000 0.679 102 A CB -0.037 18.930 19.000 -0.055 0.000 0.795 102 A HN 0.202 nan 8.150 nan 0.000 0.458 103 M N -1.270 118.297 119.600 -0.056 0.000 2.347 103 M HA 0.313 4.793 4.480 -0.000 0.000 0.324 103 M C 0.923 177.209 176.300 -0.024 0.000 1.028 103 M CA 0.113 55.398 55.300 -0.025 0.000 0.988 103 M CB 0.246 32.846 32.600 0.000 0.000 1.528 103 M HN 0.301 nan 8.290 nan 0.000 0.550 104 I N 0.238 120.783 120.570 -0.042 0.000 2.315 104 I HA -0.114 4.056 4.170 -0.000 0.000 0.248 104 I C 2.463 178.563 176.117 -0.029 0.000 1.117 104 I CA 1.297 62.575 61.300 -0.038 0.000 1.404 104 I CB -0.508 37.458 38.000 -0.056 0.000 1.071 104 I HN 0.374 nan 8.210 nan 0.000 0.419 105 G N 1.273 110.056 108.800 -0.029 0.000 2.446 105 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 105 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 105 G C 1.619 176.510 174.900 -0.015 0.000 1.168 105 G CA 1.366 46.452 45.100 -0.023 0.000 0.771 105 G HN 0.385 nan 8.290 nan 0.000 0.551 106 V N -2.221 117.686 119.914 -0.010 0.000 3.380 106 V HA 0.242 4.361 4.120 -0.000 0.000 0.268 106 V C 0.698 176.791 176.094 -0.002 0.000 1.168 106 V CA 0.949 63.246 62.300 -0.004 0.000 1.156 106 V CB -0.856 30.968 31.823 0.001 0.000 0.785 106 V HN 0.519 nan 8.190 nan 0.000 0.487 107 E N -0.022 120.176 120.200 -0.004 0.000 2.260 107 E HA -0.174 4.176 4.350 -0.000 0.000 0.204 107 E C 0.548 177.153 176.600 0.009 0.000 1.319 107 E CA 0.191 56.590 56.400 -0.001 0.000 0.679 107 E CB -1.357 28.341 29.700 -0.004 0.000 1.158 107 E HN 0.998 nan 8.360 nan 0.000 0.376 108 A N 0.952 123.782 122.820 0.017 0.000 2.406 108 A HA 0.374 4.693 4.320 -0.000 0.000 0.243 108 A C 0.435 178.042 177.584 0.038 0.000 1.082 108 A CA -0.321 51.734 52.037 0.031 0.000 0.786 108 A CB 0.436 19.462 19.000 0.043 0.000 1.029 108 A HN 0.376 nan 8.150 nan 0.000 0.495 109 L N 0.827 122.077 121.223 0.044 0.000 2.573 109 L HA 0.045 4.384 4.340 -0.000 0.000 0.290 109 L C 0.861 177.770 176.870 0.065 0.000 1.247 109 L CA 1.456 56.325 54.840 0.049 0.000 0.876 109 L CB -0.328 41.764 42.059 0.054 0.000 1.123 109 L HN 0.749 nan 8.230 nan 0.000 0.505 110 L N 1.387 122.641 121.223 0.053 0.000 4.892 110 L HA -0.217 4.123 4.340 -0.000 0.000 0.403 110 L C 0.295 177.172 176.870 0.011 0.000 0.913 110 L CA 0.481 55.343 54.840 0.037 0.000 1.653 110 L CB -2.421 39.703 42.059 0.107 0.000 1.780 110 L HN 0.768 nan 8.230 nan 0.000 0.597 111 T N 1.053 115.617 114.554 0.016 0.000 2.814 111 T HA 0.156 4.506 4.350 -0.000 0.000 0.297 111 T C 0.613 175.305 174.700 -0.014 0.000 0.956 111 T CA -0.017 62.084 62.100 0.003 0.000 1.123 111 T CB 1.029 69.897 68.868 0.001 0.000 0.902 111 T HN 0.136 nan 8.240 nan 0.000 0.528 112 N N 4.053 122.741 118.700 -0.020 0.000 2.555 112 N HA 0.114 4.854 4.740 -0.000 0.000 0.244 112 N C -0.462 175.036 175.510 -0.020 0.000 1.114 112 N CA -0.264 52.776 53.050 -0.018 0.000 0.963 112 N CB 0.183 38.669 38.487 -0.001 0.000 1.276 112 N HN 0.283 nan 8.380 nan 0.000 0.510 113 V N 3.259 123.159 119.914 -0.023 0.000 2.585 113 V HA -0.008 4.112 4.120 -0.000 0.000 0.296 113 V C 0.934 177.008 176.094 -0.033 0.000 1.035 113 V CA -0.126 62.157 62.300 -0.028 0.000 1.084 113 V CB 0.594 32.403 31.823 -0.025 0.000 0.953 113 V HN 0.731 nan 8.190 nan 0.000 0.483 114 D N 3.300 123.676 120.400 -0.040 0.000 2.737 114 D HA -0.271 4.369 4.640 -0.000 0.000 0.233 114 D C 1.361 177.634 176.300 -0.045 0.000 1.155 114 D CA 1.009 54.981 54.000 -0.047 0.000 0.667 114 D CB -0.589 40.185 40.800 -0.044 0.000 1.060 114 D HN 0.839 nan 8.370 nan 0.000 0.427 115 A N 0.603 123.405 122.820 -0.030 0.000 1.893 115 A HA -0.176 4.144 4.320 -0.000 0.000 0.222 115 A C 2.577 180.185 177.584 0.039 0.000 1.309 115 A CA 3.575 55.625 52.037 0.022 0.000 0.681 115 A CB -1.312 17.710 19.000 0.038 0.000 0.842 115 A HN 1.050 nan 8.150 nan 0.000 0.468 116 A N -0.838 121.984 122.820 0.003 0.000 2.032 116 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 116 A C 1.843 179.382 177.584 -0.076 0.000 1.165 116 A CA 1.980 54.010 52.037 -0.011 0.000 0.645 116 A CB -0.664 18.285 19.000 -0.086 0.000 0.807 116 A HN 0.622 nan 8.150 nan 0.000 0.453 117 N N -0.651 117.998 118.700 -0.084 0.000 2.457 117 N HA -0.045 4.694 4.740 -0.000 0.000 0.180 117 N C 1.472 176.898 175.510 -0.141 0.000 1.050 117 N CA 0.814 53.804 53.050 -0.101 0.000 0.906 117 N CB -0.310 38.131 38.487 -0.076 0.000 0.968 117 N HN 0.437 nan 8.380 nan 0.000 0.445 118 L N 2.773 123.896 121.223 -0.168 0.000 1.970 118 L HA -0.061 4.279 4.340 -0.000 0.000 0.212 118 L C -0.889 175.811 176.870 -0.283 0.000 1.071 118 L CA 2.115 56.830 54.840 -0.209 0.000 0.751 118 L CB -1.474 40.459 42.059 -0.211 0.000 0.889 118 L HN 0.105 nan 8.230 nan 0.000 0.432 119 P HA -0.099 nan 4.420 nan 0.000 0.233 119 P C 0.038 177.185 177.300 -0.256 0.000 1.167 119 P CA 0.500 63.363 63.100 -0.395 0.000 0.770 119 P CB -0.099 31.230 31.700 -0.620 0.000 0.837 120 R N 1.910 122.279 120.500 -0.219 0.000 2.643 120 R HA 0.128 4.468 4.340 -0.000 0.000 0.270 120 R C -1.383 174.797 176.300 -0.200 0.000 1.061 120 R CA -0.895 55.092 56.100 -0.188 0.000 1.107 120 R CB -0.120 30.096 30.300 -0.140 0.000 0.999 120 R HN 0.128 nan 8.270 nan 0.000 0.460 121 P HA 0.104 nan 4.420 nan 0.000 0.248 121 P C -0.033 176.920 177.300 -0.579 0.000 1.708 121 P CA 0.277 63.173 63.100 -0.339 0.000 1.062 121 P CB 0.269 31.780 31.700 -0.314 0.000 1.562 122 L N 0.042 121.010 121.223 -0.425 0.000 2.653 122 L HA 0.183 4.523 4.340 -0.000 0.000 0.231 122 L C 0.765 177.590 176.870 -0.075 0.000 1.153 122 L CA -0.247 54.337 54.840 -0.427 0.000 0.933 122 L CB 0.240 42.170 42.059 -0.215 0.000 1.175 122 L HN -0.078 nan 8.230 nan 0.000 0.473 123 V N -5.306 114.596 119.914 -0.021 0.000 2.962 123 V HA 0.374 4.494 4.120 -0.000 0.000 0.313 123 V C 0.637 177.008 176.094 0.461 0.000 1.099 123 V CA -1.047 61.432 62.300 0.298 0.000 0.971 123 V CB 2.153 34.080 31.823 0.173 0.000 1.028 123 V HN 0.033 nan 8.190 nan 0.000 0.430 124 K N 0.942 121.669 120.400 0.545 0.000 2.148 124 K HA 0.070 4.390 4.320 -0.000 0.000 0.204 124 K C -0.202 176.661 176.600 0.437 0.000 1.050 124 K CA 1.719 58.290 56.287 0.472 0.000 0.942 124 K CB 0.156 32.836 32.500 0.299 0.000 0.724 124 K HN 0.746 nan 8.250 nan 0.000 0.446 125 W N -0.060 121.343 121.300 0.171 0.000 3.425 125 W HA 0.320 4.979 4.660 -0.000 0.000 0.318 125 W C -1.625 174.994 176.519 0.166 0.000 1.201 125 W CA -0.676 56.748 57.345 0.131 0.000 1.212 125 W CB 1.944 31.455 29.460 0.085 0.000 1.355 125 W HN -0.356 nan 8.180 nan 0.000 0.515 126 S N 5.161 120.612 115.700 -0.414 0.000 2.571 126 S HA 0.758 5.228 4.470 -0.000 0.000 0.284 126 S C -2.062 172.188 174.600 -0.583 0.000 1.128 126 S CA -0.309 57.706 58.200 -0.309 0.000 0.970 126 S CB 0.736 63.892 63.200 -0.075 0.000 1.039 126 S HN 0.514 nan 8.310 nan 0.000 0.485 127 Y N 2.210 122.069 120.300 -0.736 0.000 2.656 127 Y HA 0.578 5.128 4.550 -0.000 0.000 0.334 127 Y C -1.556 174.124 175.900 -0.368 0.000 1.179 127 Y CA -0.705 56.996 58.100 -0.664 0.000 1.050 127 Y CB 1.552 39.307 38.460 -1.176 0.000 1.308 127 Y HN 0.689 nan 8.280 nan 0.000 0.456 128 E N 5.045 124.666 120.200 -0.965 0.000 2.281 128 E HA 0.484 4.834 4.350 -0.000 0.000 0.266 128 E C -2.968 173.087 176.600 -0.908 0.000 0.893 128 E CA -2.371 53.633 56.400 -0.660 0.000 0.798 128 E CB 1.975 31.434 29.700 -0.402 0.000 1.245 128 E HN 0.310 nan 8.360 nan 0.000 0.410 129 P HA 0.036 nan 4.420 nan 0.000 0.267 129 P C -0.273 176.917 177.300 -0.184 0.000 1.200 129 P CA 0.177 63.169 63.100 -0.181 0.000 0.772 129 P CB 1.000 32.689 31.700 -0.018 0.000 0.855 130 A N 1.533 124.310 122.820 -0.072 0.000 2.218 130 A HA 0.266 4.586 4.320 -0.000 0.000 0.209 130 A C 0.555 178.113 177.584 -0.043 0.000 1.168 130 A CA 0.961 52.962 52.037 -0.060 0.000 0.804 130 A CB -0.498 18.500 19.000 -0.005 0.000 0.834 130 A HN 0.602 nan 8.150 nan 0.000 0.482 131 S N -3.867 111.811 115.700 -0.036 0.000 2.567 131 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 131 S C 0.617 175.185 174.600 -0.054 0.000 1.152 131 S CA -0.009 58.168 58.200 -0.038 0.000 0.835 131 S CB 0.958 64.154 63.200 -0.007 0.000 1.115 131 S HN 0.994 nan 8.310 nan 0.000 0.459 132 A N 1.809 124.586 122.820 -0.071 0.000 1.908 132 A HA 0.223 4.543 4.320 -0.000 0.000 0.218 132 A C 2.316 179.870 177.584 -0.050 0.000 1.181 132 A CA 2.169 54.147 52.037 -0.099 0.000 0.627 132 A CB -1.615 17.336 19.000 -0.082 0.000 0.818 132 A HN 1.833 nan 8.150 nan 0.000 0.445 133 A N -0.829 121.988 122.820 -0.005 0.000 2.131 133 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 133 A C 1.927 179.541 177.584 0.049 0.000 1.158 133 A CA 1.654 53.707 52.037 0.027 0.000 0.665 133 A CB -0.436 18.582 19.000 0.030 0.000 0.795 133 A HN 0.682 nan 8.150 nan 0.000 0.460 134 E N -0.200 120.033 120.200 0.054 0.000 2.371 134 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 134 E C 1.645 178.321 176.600 0.126 0.000 1.012 134 E CA 0.605 57.079 56.400 0.122 0.000 0.860 134 E CB -0.026 29.762 29.700 0.147 0.000 0.811 134 E HN 0.373 nan 8.360 nan 0.000 0.502 135 V N 1.799 121.731 119.914 0.031 0.000 2.250 135 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 135 V C -0.698 175.452 176.094 0.093 0.000 1.060 135 V CA 2.359 64.654 62.300 -0.009 0.000 1.030 135 V CB -1.533 30.154 31.823 -0.227 0.000 0.643 135 V HN 0.285 nan 8.190 nan 0.000 0.445 136 P HA -0.205 nan 4.420 nan 0.000 0.216 136 P C 1.712 179.134 177.300 0.204 0.000 1.153 136 P CA 1.853 65.060 63.100 0.179 0.000 0.858 136 P CB -0.204 31.596 31.700 0.167 0.000 0.789 137 H N -0.612 118.503 119.070 0.075 0.000 2.321 137 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 137 H C 1.804 177.182 175.328 0.084 0.000 1.087 137 H CA 1.225 57.308 56.048 0.058 0.000 1.319 137 H CB -0.141 29.644 29.762 0.038 0.000 1.379 137 H HN -0.013 nan 8.280 nan 0.000 0.501 138 A N 0.944 123.816 122.820 0.087 0.000 1.933 138 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 138 A C 2.375 180.074 177.584 0.192 0.000 1.175 138 A CA 1.725 53.843 52.037 0.136 0.000 0.628 138 A CB -0.641 18.549 19.000 0.317 0.000 0.814 138 A HN 0.508 nan 8.150 nan 0.000 0.444 139 M N -0.219 119.488 119.600 0.179 0.000 2.159 139 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 139 M C 2.270 178.647 176.300 0.128 0.000 1.063 139 M CA 2.022 57.437 55.300 0.192 0.000 1.110 139 M CB -0.585 32.141 32.600 0.210 0.000 1.374 139 M HN 0.388 nan 8.290 nan 0.000 0.411 140 S N -0.170 115.596 115.700 0.110 0.000 2.356 140 S HA -0.165 4.305 4.470 -0.000 0.000 0.223 140 S C 2.038 176.649 174.600 0.018 0.000 1.032 140 S CA 1.583 59.839 58.200 0.093 0.000 1.005 140 S CB -0.175 63.144 63.200 0.199 0.000 0.867 140 S HN 0.618 nan 8.310 nan 0.000 0.449 141 R N 0.778 121.206 120.500 -0.119 0.000 2.081 141 R HA -0.007 4.333 4.340 -0.000 0.000 0.235 141 R C 2.686 178.746 176.300 -0.399 0.000 1.131 141 R CA 1.326 57.178 56.100 -0.412 0.000 0.960 141 R CB -0.665 29.100 30.300 -0.892 0.000 0.856 141 R HN 0.494 nan 8.270 nan 0.000 0.436 142 A N 1.538 124.301 122.820 -0.096 0.000 1.865 142 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 142 A C 2.202 179.816 177.584 0.051 0.000 1.191 142 A CA 1.411 53.549 52.037 0.169 0.000 0.623 142 A CB -0.616 18.581 19.000 0.328 0.000 0.826 142 A HN 0.192 nan 8.150 nan 0.000 0.444 143 I N -1.031 119.525 120.570 -0.023 0.000 2.151 143 I HA -0.304 3.866 4.170 -0.000 0.000 0.243 143 I C 2.484 178.475 176.117 -0.210 0.000 1.080 143 I CA 1.608 62.833 61.300 -0.125 0.000 1.339 143 I CB -0.627 37.214 38.000 -0.265 0.000 1.039 143 I HN 0.429 nan 8.210 nan 0.000 0.409 144 H N -0.300 118.745 119.070 -0.042 0.000 2.403 144 H HA -0.000 4.556 4.556 -0.000 0.000 0.298 144 H C 2.325 177.598 175.328 -0.091 0.000 1.059 144 H CA 1.030 57.032 56.048 -0.076 0.000 1.363 144 H CB -0.101 29.597 29.762 -0.106 0.000 1.410 144 H HN 0.254 nan 8.280 nan 0.000 0.528 145 M N 0.396 119.974 119.600 -0.037 0.000 2.213 145 M HA -0.043 4.436 4.480 -0.000 0.000 0.263 145 M C 2.416 178.735 176.300 0.031 0.000 1.062 145 M CA 0.890 56.157 55.300 -0.054 0.000 1.105 145 M CB -0.842 31.677 32.600 -0.135 0.000 1.385 145 M HN 0.214 nan 8.290 nan 0.000 0.417 146 A N -1.090 121.761 122.820 0.052 0.000 1.970 146 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 146 A C 2.389 179.996 177.584 0.038 0.000 1.170 146 A CA 1.573 53.652 52.037 0.069 0.000 0.645 146 A CB -0.433 18.622 19.000 0.092 0.000 0.816 146 A HN 0.463 nan 8.150 nan 0.000 0.447 147 S N -0.363 115.351 115.700 0.024 0.000 2.425 147 S HA 0.170 4.640 4.470 -0.000 0.000 0.225 147 S C 0.908 175.511 174.600 0.004 0.000 1.024 147 S CA 0.195 58.405 58.200 0.017 0.000 0.951 147 S CB -0.246 62.963 63.200 0.015 0.000 0.796 147 S HN 0.538 nan 8.310 nan 0.000 0.498 148 M N 1.744 121.346 119.600 0.003 0.000 2.248 148 M HA 0.275 4.755 4.480 -0.000 0.000 0.337 148 M C 0.295 176.565 176.300 -0.051 0.000 1.121 148 M CA -0.376 54.912 55.300 -0.019 0.000 1.155 148 M CB 0.282 32.868 32.600 -0.023 0.000 1.514 148 M HN 0.146 nan 8.290 nan 0.000 0.452 149 A N 4.510 127.290 122.820 -0.067 0.000 2.440 149 A HA 0.443 4.762 4.320 -0.000 0.000 0.251 149 A C -2.232 175.278 177.584 -0.125 0.000 1.089 149 A CA -1.146 50.821 52.037 -0.118 0.000 0.779 149 A CB -0.659 18.277 19.000 -0.106 0.000 1.022 149 A HN 0.523 nan 8.150 nan 0.000 0.492 150 P HA 0.174 nan 4.420 nan 0.000 0.287 150 P C -0.645 176.507 177.300 -0.246 0.000 1.281 150 P CA -0.252 62.638 63.100 -0.350 0.000 0.781 150 P CB 0.790 32.188 31.700 -0.503 0.000 0.903 151 Q N 1.141 120.822 119.800 -0.199 0.000 2.432 151 Q HA 0.485 4.825 4.340 -0.000 0.000 0.264 151 Q C 0.693 176.679 176.000 -0.024 0.000 1.035 151 Q CA 0.423 56.185 55.803 -0.067 0.000 0.908 151 Q CB 0.372 29.099 28.738 -0.019 0.000 1.280 151 Q HN 0.740 nan 8.270 nan 0.000 0.455 152 G N 1.079 109.887 108.800 0.014 0.000 2.451 152 G HA2 0.332 4.292 3.960 -0.000 0.000 0.292 152 G HA3 0.332 4.292 3.960 -0.000 0.000 0.292 152 G C -3.082 171.885 174.900 0.111 0.000 1.427 152 G CA -0.890 44.226 45.100 0.027 0.000 0.792 152 G HN 0.386 nan 8.290 nan 0.000 0.498 153 P HA 0.467 nan 4.420 nan 0.000 0.278 153 P C -0.107 177.341 177.300 0.245 0.000 1.238 153 P CA -0.172 63.044 63.100 0.193 0.000 0.794 153 P CB 1.690 33.507 31.700 0.194 0.000 0.955 154 V N 0.730 120.785 119.914 0.235 0.000 3.040 154 V HA 0.625 4.744 4.120 -0.000 0.000 0.312 154 V C -1.480 174.785 176.094 0.286 0.000 1.115 154 V CA -1.098 61.384 62.300 0.303 0.000 0.998 154 V CB 2.163 34.209 31.823 0.371 0.000 1.042 154 V HN 0.489 nan 8.190 nan 0.000 0.433 155 Y N 2.922 123.269 120.300 0.078 0.000 2.361 155 Y HA 0.828 5.377 4.550 -0.000 0.000 0.337 155 Y C -1.209 174.645 175.900 -0.077 0.000 0.965 155 Y CA -1.204 56.886 58.100 -0.017 0.000 1.091 155 Y CB 2.025 40.451 38.460 -0.056 0.000 1.182 155 Y HN 0.899 nan 8.280 nan 0.000 0.450 156 L N 5.353 126.280 121.223 -0.493 0.000 2.406 156 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 156 L C -1.140 175.387 176.870 -0.572 0.000 0.980 156 L CA -0.190 54.422 54.840 -0.380 0.000 0.831 156 L CB 1.931 43.942 42.059 -0.080 0.000 1.253 156 L HN 0.558 nan 8.230 nan 0.000 0.406 157 S N 4.179 119.594 115.700 -0.474 0.000 2.442 157 S HA 0.840 5.310 4.470 -0.000 0.000 0.297 157 S C -1.043 173.427 174.600 -0.217 0.000 1.131 157 S CA -0.446 57.540 58.200 -0.357 0.000 1.092 157 S CB 0.896 63.944 63.200 -0.253 0.000 0.998 157 S HN 0.470 nan 8.310 nan 0.000 0.478 158 V N 7.411 127.243 119.914 -0.137 0.000 2.483 158 V HA 0.428 4.548 4.120 -0.000 0.000 0.297 158 V C -2.489 173.560 176.094 -0.075 0.000 1.027 158 V CA -2.072 60.139 62.300 -0.149 0.000 0.855 158 V CB 1.626 33.333 31.823 -0.192 0.000 0.995 158 V HN 0.711 nan 8.190 nan 0.000 0.424 159 P HA 0.020 nan 4.420 nan 0.000 0.264 159 P C 0.293 177.569 177.300 -0.039 0.000 1.193 159 P CA 0.048 63.085 63.100 -0.105 0.000 0.763 159 P CB 0.187 31.781 31.700 -0.176 0.000 0.810 160 Y N 2.774 123.135 120.300 0.102 0.000 2.483 160 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 160 Y C 1.275 177.309 175.900 0.224 0.000 1.143 160 Y CA 1.146 59.405 58.100 0.264 0.000 1.289 160 Y CB -1.131 37.495 38.460 0.277 0.000 0.983 160 Y HN 0.285 nan 8.280 nan 0.000 0.556 161 D N -0.842 119.497 120.400 -0.103 0.000 2.340 161 D HA -0.093 4.547 4.640 -0.000 0.000 0.220 161 D C 0.557 176.851 176.300 -0.010 0.000 1.039 161 D CA 0.468 54.455 54.000 -0.021 0.000 0.866 161 D CB -0.235 40.455 40.800 -0.184 0.000 0.913 161 D HN 0.353 nan 8.370 nan 0.000 0.523 162 D N 0.577 120.901 120.400 -0.127 0.000 2.162 162 D HA -0.060 4.580 4.640 -0.000 0.000 0.203 162 D C 1.642 177.870 176.300 -0.120 0.000 0.967 162 D CA 0.577 54.446 54.000 -0.218 0.000 0.840 162 D CB -0.521 40.011 40.800 -0.446 0.000 0.972 162 D HN 0.372 nan 8.370 nan 0.000 0.482 163 W N 1.609 123.021 121.300 0.186 0.000 2.321 163 W HA -0.151 4.509 4.660 -0.000 0.000 0.306 163 W C 1.778 178.430 176.519 0.222 0.000 1.217 163 W CA 0.668 58.167 57.345 0.257 0.000 1.257 163 W CB -0.228 29.450 29.460 0.364 0.000 1.145 163 W HN -0.077 nan 8.180 nan 0.000 0.509 164 D N -0.168 120.448 120.400 0.361 0.000 2.317 164 D HA -0.047 4.592 4.640 -0.000 0.000 0.211 164 D C 0.990 177.386 176.300 0.160 0.000 0.966 164 D CA 0.836 54.975 54.000 0.231 0.000 0.876 164 D CB -0.259 40.647 40.800 0.178 0.000 0.927 164 D HN -0.045 nan 8.370 nan 0.000 0.519 165 K N 1.631 122.109 120.400 0.130 0.000 2.230 165 K HA 0.059 4.379 4.320 -0.000 0.000 0.253 165 K C 0.170 176.830 176.600 0.100 0.000 1.008 165 K CA -0.183 56.155 56.287 0.084 0.000 0.910 165 K CB 0.451 32.975 32.500 0.040 0.000 0.994 165 K HN -0.012 nan 8.250 nan 0.000 0.495 166 D N 0.443 120.890 120.400 0.078 0.000 2.382 166 D HA 0.165 4.804 4.640 -0.000 0.000 0.245 166 D C -0.078 176.273 176.300 0.085 0.000 1.120 166 D CA 0.135 54.186 54.000 0.084 0.000 0.890 166 D CB 0.887 41.727 40.800 0.065 0.000 1.201 166 D HN 0.449 nan 8.370 nan 0.000 0.433 167 A N 1.630 124.513 122.820 0.105 0.000 2.293 167 A HA 0.223 4.543 4.320 -0.000 0.000 0.302 167 A C 0.061 177.693 177.584 0.080 0.000 1.119 167 A CA -0.646 51.453 52.037 0.103 0.000 0.823 167 A CB 0.737 19.824 19.000 0.145 0.000 1.097 167 A HN 0.455 nan 8.150 nan 0.000 0.491 168 D N 1.549 121.986 120.400 0.062 0.000 2.383 168 D HA 0.219 4.859 4.640 -0.000 0.000 0.252 168 D C -1.623 174.707 176.300 0.050 0.000 1.166 168 D CA -1.604 52.423 54.000 0.044 0.000 0.879 168 D CB 1.066 41.879 40.800 0.022 0.000 1.164 168 D HN 0.103 nan 8.370 nan 0.000 0.462 169 P HA -0.152 nan 4.420 nan 0.000 0.217 169 P C 1.005 178.377 177.300 0.121 0.000 1.148 169 P CA 0.983 64.139 63.100 0.094 0.000 0.828 169 P CB 0.238 31.989 31.700 0.084 0.000 0.783 170 Q N -0.942 118.892 119.800 0.057 0.000 2.500 170 Q HA -0.003 4.337 4.340 -0.000 0.000 0.213 170 Q C 1.896 177.798 176.000 -0.164 0.000 0.974 170 Q CA 0.836 56.640 55.803 0.003 0.000 0.918 170 Q CB -0.798 27.957 28.738 0.028 0.000 0.980 170 Q HN 0.280 nan 8.270 nan 0.000 0.505 171 S N 0.452 116.067 115.700 -0.143 0.000 2.447 171 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 171 S C 1.585 175.827 174.600 -0.596 0.000 1.006 171 S CA 0.871 58.926 58.200 -0.242 0.000 0.957 171 S CB -0.341 62.797 63.200 -0.103 0.000 0.773 171 S HN 0.627 nan 8.310 nan 0.000 0.507 172 H N 0.506 119.193 119.070 -0.638 0.000 2.489 172 H HA -0.079 4.477 4.556 -0.000 0.000 0.295 172 H C 1.287 176.165 175.328 -0.750 0.000 1.082 172 H CA 1.404 56.808 56.048 -1.073 0.000 1.295 172 H CB -0.704 28.802 29.762 -0.426 0.000 1.380 172 H HN 0.489 nan 8.280 nan 0.000 0.548 173 H N 0.770 119.315 119.070 -0.876 0.000 2.543 173 H HA 0.019 4.575 4.556 -0.000 0.000 0.286 173 H C 2.319 177.487 175.328 -0.268 0.000 1.037 173 H CA 0.880 56.629 56.048 -0.499 0.000 1.250 173 H CB 0.338 29.827 29.762 -0.456 0.000 1.373 173 H HN 0.422 nan 8.280 nan 0.000 0.580 174 L N -0.853 120.231 121.223 -0.232 0.000 2.162 174 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 174 L C 2.117 179.060 176.870 0.123 0.000 1.086 174 L CA 0.136 54.951 54.840 -0.041 0.000 0.778 174 L CB -0.423 41.620 42.059 -0.026 0.000 0.928 174 L HN 0.015 nan 8.230 nan 0.000 0.446 175 F N 1.045 121.058 119.950 0.106 0.000 2.048 175 F HA -0.325 4.202 4.527 -0.000 0.000 0.296 175 F C 1.800 177.667 175.800 0.112 0.000 1.109 175 F CA 1.305 59.370 58.000 0.107 0.000 1.214 175 F CB -0.920 38.142 39.000 0.103 0.000 0.963 175 F HN 0.191 nan 8.300 nan 0.000 0.491 176 D N -0.153 120.433 120.400 0.310 0.000 2.463 176 D HA 0.066 4.706 4.640 -0.000 0.000 0.224 176 D C 0.303 176.719 176.300 0.193 0.000 1.174 176 D CA -0.072 54.064 54.000 0.225 0.000 0.829 176 D CB -0.063 40.854 40.800 0.194 0.000 0.993 176 D HN 0.166 nan 8.370 nan 0.000 0.497 177 R N 1.110 121.721 120.500 0.186 0.000 2.522 177 R HA 0.054 4.394 4.340 -0.000 0.000 0.284 177 R C 0.259 176.643 176.300 0.139 0.000 1.032 177 R CA 0.290 56.464 56.100 0.123 0.000 1.049 177 R CB 0.565 30.902 30.300 0.062 0.000 0.956 177 R HN 0.150 nan 8.270 nan 0.000 0.422 178 H N 3.279 122.359 119.070 0.017 0.000 2.646 178 H HA 0.261 4.817 4.556 -0.000 0.000 0.328 178 H C -1.296 174.001 175.328 -0.051 0.000 0.998 178 H CA -0.592 55.472 56.048 0.027 0.000 1.225 178 H CB 1.014 30.797 29.762 0.037 0.000 1.457 178 H HN 0.215 nan 8.280 nan 0.000 0.505 179 V N 4.360 124.191 119.914 -0.139 0.000 2.398 179 V HA 0.280 4.400 4.120 -0.000 0.000 0.286 179 V C 0.372 176.472 176.094 0.010 0.000 1.026 179 V CA -0.557 61.688 62.300 -0.092 0.000 0.868 179 V CB 1.460 33.123 31.823 -0.267 0.000 0.982 179 V HN 0.760 nan 8.190 nan 0.000 0.443 180 S N 2.687 118.439 115.700 0.086 0.000 2.536 180 S HA 0.628 5.098 4.470 -0.000 0.000 0.298 180 S C 0.374 174.993 174.600 0.031 0.000 1.083 180 S CA 0.103 58.361 58.200 0.097 0.000 0.995 180 S CB 1.882 65.170 63.200 0.147 0.000 1.058 180 S HN 0.996 nan 8.310 nan 0.000 0.488 181 S N 1.753 117.466 115.700 0.021 0.000 3.031 181 S HA 0.204 4.674 4.470 -0.000 0.000 0.253 181 S C 0.181 174.780 174.600 -0.001 0.000 0.996 181 S CA -0.333 57.865 58.200 -0.003 0.000 1.098 181 S CB 0.170 63.358 63.200 -0.020 0.000 1.042 181 S HN 0.544 nan 8.310 nan 0.000 0.593 182 S N 2.788 118.498 115.700 0.016 0.000 4.120 182 S HA 0.427 4.897 4.470 -0.000 0.000 0.215 182 S C 0.298 174.901 174.600 0.004 0.000 1.347 182 S CA -0.211 57.997 58.200 0.013 0.000 0.889 182 S CB -1.252 61.965 63.200 0.028 0.000 1.585 182 S HN 0.730 nan 8.310 nan 0.000 0.447 183 V N 2.622 122.533 119.914 -0.005 0.000 3.019 183 V HA 0.999 5.119 4.120 -0.000 0.000 0.317 183 V C -0.687 175.402 176.094 -0.010 0.000 1.094 183 V CA -1.370 60.925 62.300 -0.008 0.000 1.000 183 V CB 1.897 33.713 31.823 -0.012 0.000 1.060 183 V HN 0.727 nan 8.190 nan 0.000 0.443 184 R N 1.735 122.230 120.500 -0.009 0.000 2.739 184 R HA 0.733 5.073 4.340 -0.000 0.000 0.271 184 R C -1.040 175.255 176.300 -0.009 0.000 1.010 184 R CA -0.964 55.131 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 0.861 nan 8.270 nan 0.000 0.466 185 L N 2.051 123.268 121.223 -0.009 0.000 2.573 185 L HA 0.104 4.444 4.340 -0.000 0.000 0.290 185 L C -0.373 176.492 176.870 -0.007 0.000 1.247 185 L CA 0.635 55.470 54.840 -0.009 0.000 0.876 185 L CB -0.161 41.893 42.059 -0.008 0.000 1.123 185 L HN 0.936 nan 8.230 nan 0.000 0.505 186 N N 1.952 120.648 118.700 -0.007 0.000 2.381 186 N HA -0.028 4.712 4.740 -0.000 0.000 0.241 186 N C 0.448 175.956 175.510 -0.005 0.000 1.279 186 N CA 0.075 53.121 53.050 -0.006 0.000 0.896 186 N CB 0.239 38.722 38.487 -0.007 0.000 1.118 186 N HN 0.600 nan 8.380 nan 0.000 0.438 187 D N -0.100 120.297 120.400 -0.004 0.000 2.103 187 D HA -0.283 4.357 4.640 -0.000 0.000 0.190 187 D C 1.569 177.867 176.300 -0.002 0.000 0.997 187 D CA 1.628 55.626 54.000 -0.003 0.000 0.833 187 D CB -0.487 40.312 40.800 -0.002 0.000 0.961 187 D HN 0.830 nan 8.370 nan 0.000 0.447 188 Q N 0.324 120.122 119.800 -0.003 0.000 2.045 188 Q HA -0.201 4.139 4.340 -0.000 0.000 0.206 188 Q C 1.316 177.315 176.000 -0.002 0.000 0.991 188 Q CA 1.865 57.666 55.803 -0.002 0.000 0.851 188 Q CB 0.037 28.773 28.738 -0.003 0.000 0.911 188 Q HN 0.156 nan 8.270 nan 0.000 0.418 189 D N 0.255 120.653 120.400 -0.003 0.000 2.178 189 D HA -0.123 4.516 4.640 -0.000 0.000 0.202 189 D C 1.853 178.151 176.300 -0.003 0.000 0.974 189 D CA 0.497 54.495 54.000 -0.004 0.000 0.841 189 D CB -0.149 40.648 40.800 -0.006 0.000 0.953 189 D HN 0.230 nan 8.370 nan 0.000 0.478 190 L N 1.150 122.371 121.223 -0.003 0.000 2.046 190 L HA -0.125 4.214 4.340 -0.000 0.000 0.208 190 L C 1.376 178.246 176.870 0.001 0.000 1.077 190 L CA 1.785 56.624 54.840 -0.001 0.000 0.747 190 L CB -0.441 41.617 42.059 -0.001 0.000 0.896 190 L HN -0.152 nan 8.230 nan 0.000 0.432 191 D N -0.326 120.074 120.400 0.001 0.000 2.144 191 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 191 D C 2.345 178.647 176.300 0.002 0.000 0.984 191 D CA 1.709 55.711 54.000 0.002 0.000 0.834 191 D CB -0.060 40.741 40.800 0.002 0.000 0.955 191 D HN 0.436 nan 8.370 nan 0.000 0.465 192 I N 0.581 121.152 120.570 0.001 0.000 2.208 192 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 192 I C 2.400 178.518 176.117 0.002 0.000 1.097 192 I CA 0.525 61.826 61.300 0.001 0.000 1.363 192 I CB -0.153 37.847 38.000 -0.000 0.000 1.051 192 I HN 0.022 nan 8.210 nan 0.000 0.413 193 L N 0.651 121.875 121.223 0.001 0.000 1.994 193 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 193 L C 2.429 179.302 176.870 0.005 0.000 1.071 193 L CA 1.799 56.640 54.840 0.002 0.000 0.745 193 L CB -0.598 41.462 42.059 0.000 0.000 0.892 193 L HN -0.034 nan 8.230 nan 0.000 0.431 194 V N 0.017 119.934 119.914 0.006 0.000 2.332 194 V HA -0.334 3.785 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 -0.821 31.006 31.823 0.008 0.000 0.651 194 V HN 0.476 nan 8.190 nan 0.000 0.450 195 K N 0.133 120.538 120.400 0.008 0.000 2.097 195 K HA -0.117 4.202 4.320 -0.000 0.000 0.206 195 K C 2.324 178.930 176.600 0.010 0.000 1.049 195 K CA 1.407 57.700 56.287 0.009 0.000 0.933 195 K CB -0.403 32.101 32.500 0.007 0.000 0.717 195 K HN 0.491 nan 8.250 nan 0.000 0.442 196 A N 1.499 124.324 122.820 0.009 0.000 1.902 196 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 196 A C 2.116 179.710 177.584 0.015 0.000 1.181 196 A CA 1.229 53.273 52.037 0.011 0.000 0.623 196 A CB -0.585 18.420 19.000 0.009 0.000 0.818 196 A HN 0.145 nan 8.150 nan 0.000 0.443 197 L N -0.432 120.800 121.223 0.015 0.000 2.056 197 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 197 L C 2.191 179.074 176.870 0.021 0.000 1.078 197 L CA 1.201 56.052 54.840 0.019 0.000 0.749 197 L CB -0.684 41.386 42.059 0.017 0.000 0.901 197 L HN 0.333 nan 8.230 nan 0.000 0.433 198 N N -0.345 118.366 118.700 0.018 0.000 2.289 198 N HA -0.123 4.617 4.740 -0.000 0.000 0.184 198 N C 1.916 177.437 175.510 0.018 0.000 1.016 198 N CA 1.301 54.362 53.050 0.018 0.000 0.872 198 N CB -0.128 38.368 38.487 0.015 0.000 0.973 198 N HN 0.189 nan 8.380 nan 0.000 0.433 199 S N 0.119 115.829 115.700 0.017 0.000 2.501 199 S HA 0.208 4.678 4.470 -0.000 0.000 0.220 199 S C 0.864 175.476 174.600 0.021 0.000 0.997 199 S CA -0.202 58.008 58.200 0.017 0.000 0.919 199 S CB 0.044 63.253 63.200 0.014 0.000 0.778 199 S HN 0.425 nan 8.310 nan 0.000 0.523 200 A N 2.251 125.087 122.820 0.026 0.000 2.566 200 A HA 0.239 4.559 4.320 -0.000 0.000 0.245 200 A C 1.421 179.027 177.584 0.036 0.000 1.056 200 A CA 0.275 52.333 52.037 0.034 0.000 0.757 200 A CB 0.085 19.111 19.000 0.043 0.000 0.979 200 A HN 0.438 nan 8.150 nan 0.000 0.508 201 S N 1.571 117.291 115.700 0.033 0.000 2.425 201 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 201 S C 0.739 175.361 174.600 0.036 0.000 1.024 201 S CA 0.950 59.166 58.200 0.026 0.000 0.951 201 S CB -0.126 63.083 63.200 0.014 0.000 0.796 201 S HN 0.825 nan 8.310 nan 0.000 0.498 202 N N 1.971 120.704 118.700 0.056 0.000 2.697 202 N HA 0.360 5.100 4.740 -0.000 0.000 0.253 202 N C -3.193 172.457 175.510 0.234 0.000 1.604 202 N CA -1.760 51.347 53.050 0.095 0.000 0.772 202 N CB 1.308 39.790 38.487 -0.009 0.000 1.267 202 N HN 0.138 nan 8.380 nan 0.000 0.510 203 P HA 0.330 nan 4.420 nan 0.000 0.272 203 P C -1.020 176.346 177.300 0.111 0.000 1.230 203 P CA -0.291 62.893 63.100 0.139 0.000 0.788 203 P CB 1.453 33.195 31.700 0.070 0.000 0.949 204 A N 2.173 124.975 122.820 -0.031 0.000 2.486 204 A HA 0.729 5.049 4.320 -0.000 0.000 0.300 204 A C -0.849 176.691 177.584 -0.073 0.000 1.048 204 A CA -0.762 51.161 52.037 -0.190 0.000 0.696 204 A CB 1.111 19.778 19.000 -0.555 0.000 1.278 204 A HN 0.429 nan 8.150 nan 0.000 0.405 205 I N 1.597 122.133 120.570 -0.056 0.000 2.465 205 I HA 0.513 4.682 4.170 -0.000 0.000 0.291 205 I C -0.953 175.159 176.117 -0.009 0.000 1.014 205 I CA -1.005 60.267 61.300 -0.047 0.000 1.093 205 I CB 2.166 40.103 38.000 -0.105 0.000 1.267 205 I HN 0.317 nan 8.210 nan 0.000 0.431 206 V N 7.059 126.979 119.914 0.011 0.000 2.444 206 V HA 0.469 4.589 4.120 -0.000 0.000 0.294 206 V C -0.170 175.937 176.094 0.021 0.000 1.022 206 V CA -0.503 61.813 62.300 0.027 0.000 0.850 206 V CB 1.817 33.668 31.823 0.046 0.000 0.992 206 V HN 0.471 nan 8.190 nan 0.000 0.426 207 L N 3.990 125.215 121.223 0.003 0.000 2.325 207 L HA 0.883 5.223 4.340 -0.000 0.000 0.278 207 L C 0.759 177.659 176.870 0.050 0.000 1.023 207 L CA -0.317 54.541 54.840 0.030 0.000 0.811 207 L CB 1.881 43.962 42.059 0.035 0.000 1.249 207 L HN 0.740 nan 8.230 nan 0.000 0.431 208 G N 0.698 109.537 108.800 0.066 0.000 2.667 208 G HA2 0.506 4.466 3.960 -0.000 0.000 0.310 208 G HA3 0.506 4.466 3.960 -0.000 0.000 0.310 208 G C -2.013 172.946 174.900 0.098 0.000 1.259 208 G CA -1.021 44.123 45.100 0.074 0.000 1.019 208 G HN 0.418 nan 8.290 nan 0.000 0.496 209 P HA -0.126 nan 4.420 nan 0.000 0.216 209 P C 0.669 178.043 177.300 0.123 0.000 1.150 209 P CA 1.182 64.359 63.100 0.129 0.000 0.843 209 P CB 0.252 32.026 31.700 0.124 0.000 0.787 210 D N -0.361 120.113 120.400 0.122 0.000 2.263 210 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 210 D C 2.042 178.388 176.300 0.076 0.000 0.971 210 D CA 0.665 54.730 54.000 0.107 0.000 0.867 210 D CB -0.298 40.559 40.800 0.096 0.000 0.929 210 D HN 0.089 nan 8.370 nan 0.000 0.492 211 V N 1.073 121.035 119.914 0.080 0.000 2.307 211 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 211 V C 2.204 178.343 176.094 0.075 0.000 1.045 211 V CA 1.862 64.207 62.300 0.074 0.000 1.024 211 V CB -0.365 31.512 31.823 0.090 0.000 0.651 211 V HN 0.071 nan 8.190 nan 0.000 0.449 212 D N 0.054 120.506 120.400 0.086 0.000 2.144 212 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 212 D C 2.094 178.440 176.300 0.078 0.000 0.978 212 D CA 1.373 55.418 54.000 0.075 0.000 0.833 212 D CB -0.122 40.720 40.800 0.071 0.000 0.961 212 D HN 0.362 nan 8.370 nan 0.000 0.470 213 A N 0.325 123.200 122.820 0.092 0.000 1.933 213 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 213 A C 2.237 179.858 177.584 0.061 0.000 1.175 213 A CA 1.923 54.016 52.037 0.092 0.000 0.628 213 A CB -0.809 18.252 19.000 0.100 0.000 0.814 213 A HN 0.304 nan 8.150 nan 0.000 0.444 214 A N -1.247 121.603 122.820 0.049 0.000 2.251 214 A HA 0.246 4.566 4.320 -0.000 0.000 0.209 214 A C 0.927 178.530 177.584 0.032 0.000 1.187 214 A CA 0.834 52.891 52.037 0.033 0.000 0.823 214 A CB -0.639 18.376 19.000 0.025 0.000 0.846 214 A HN 0.839 nan 8.150 nan 0.000 0.486 215 N N -2.184 116.539 118.700 0.038 0.000 2.740 215 N HA -0.228 4.511 4.740 -0.000 0.000 0.248 215 N C 0.413 175.937 175.510 0.024 0.000 1.062 215 N CA 1.025 54.092 53.050 0.029 0.000 0.704 215 N CB -1.357 37.143 38.487 0.021 0.000 0.968 215 N HN 0.549 nan 8.380 nan 0.000 0.547 216 A N -0.689 122.152 122.820 0.034 0.000 2.379 216 A HA 0.218 4.538 4.320 -0.000 0.000 0.236 216 A C 1.630 179.240 177.584 0.044 0.000 1.272 216 A CA 0.429 52.486 52.037 0.035 0.000 0.886 216 A CB -0.089 18.935 19.000 0.040 0.000 0.962 216 A HN 0.538 nan 8.150 nan 0.000 0.504 217 N N 1.851 120.572 118.700 0.035 0.000 2.018 217 N HA -0.204 4.535 4.740 -0.000 0.000 0.196 217 N C 1.909 177.407 175.510 -0.019 0.000 1.043 217 N CA 2.023 55.088 53.050 0.025 0.000 0.856 217 N CB -0.506 37.970 38.487 -0.019 0.000 1.042 217 N HN 0.447 nan 8.380 nan 0.000 0.423 218 A N 1.213 124.011 122.820 -0.037 0.000 1.873 218 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 218 A C 1.774 179.351 177.584 -0.013 0.000 1.193 218 A CA 2.044 54.052 52.037 -0.048 0.000 0.629 218 A CB -0.818 18.163 19.000 -0.032 0.000 0.826 218 A HN 0.206 nan 8.150 nan 0.000 0.447 219 D N -0.663 119.745 120.400 0.013 0.000 2.182 219 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 219 D C 2.002 178.336 176.300 0.057 0.000 0.986 219 D CA 1.375 55.392 54.000 0.029 0.000 0.847 219 D CB -0.527 40.290 40.800 0.028 0.000 0.942 219 D HN 0.467 nan 8.370 nan 0.000 0.467 220 C N 0.065 119.420 119.300 0.091 0.000 2.457 220 C HA -0.032 4.428 4.460 -0.000 0.000 0.278 220 C C 2.911 178.063 174.990 0.270 0.000 1.309 220 C CA -0.033 59.085 59.018 0.167 0.000 1.735 220 C CB -0.699 27.178 27.740 0.227 0.000 1.992 220 C HN 0.167 nan 8.230 nan 0.000 0.493 221 V N 1.046 121.057 119.914 0.161 0.000 2.295 221 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 221 V C 2.397 178.534 176.094 0.072 0.000 1.049 221 V CA 2.471 64.774 62.300 0.005 0.000 1.024 221 V CB -0.676 30.977 31.823 -0.285 0.000 0.648 221 V HN 0.625 nan 8.190 nan 0.000 0.447 222 M N -0.306 119.327 119.600 0.054 0.000 2.065 222 M HA -0.202 4.278 4.480 -0.000 0.000 0.259 222 M C 2.065 178.407 176.300 0.069 0.000 1.069 222 M CA 2.147 57.483 55.300 0.059 0.000 1.110 222 M CB -0.434 32.189 32.600 0.039 0.000 1.328 222 M HN 0.290 nan 8.290 nan 0.000 0.405 223 L N 0.873 122.136 121.223 0.067 0.000 2.043 223 L HA -0.154 4.186 4.340 -0.000 0.000 0.212 223 L C 2.440 179.344 176.870 0.057 0.000 1.075 223 L CA 2.434 57.308 54.840 0.055 0.000 0.752 223 L CB -1.203 40.885 42.059 0.049 0.000 0.891 223 L HN 0.436 nan 8.230 nan 0.000 0.432 224 A N -0.987 121.879 122.820 0.077 0.000 1.933 224 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 224 A C 2.136 179.774 177.584 0.090 0.000 1.175 224 A CA 1.757 53.827 52.037 0.055 0.000 0.628 224 A CB -0.584 18.445 19.000 0.048 0.000 0.814 224 A HN 0.648 nan 8.150 nan 0.000 0.444 225 E N -0.530 119.746 120.200 0.126 0.000 2.107 225 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 225 E C 2.276 178.929 176.600 0.088 0.000 0.982 225 E CA 0.734 57.218 56.400 0.140 0.000 0.809 225 E CB -0.152 29.645 29.700 0.162 0.000 0.756 225 E HN 0.417 nan 8.360 nan 0.000 0.459 226 R N 0.769 121.310 120.500 0.068 0.000 2.073 226 R HA -0.074 4.266 4.340 -0.000 0.000 0.234 226 R C 2.353 178.680 176.300 0.045 0.000 1.134 226 R CA 0.961 57.090 56.100 0.050 0.000 0.952 226 R CB -0.759 29.565 30.300 0.041 0.000 0.850 226 R HN 0.251 nan 8.270 nan 0.000 0.433 227 L N 1.407 122.657 121.223 0.044 0.000 2.552 227 L HA 0.034 4.373 4.340 -0.000 0.000 0.227 227 L C 0.150 177.047 176.870 0.046 0.000 1.146 227 L CA 0.173 55.037 54.840 0.040 0.000 0.858 227 L CB -0.217 41.862 42.059 0.032 0.000 0.969 227 L HN 0.063 nan 8.230 nan 0.000 0.451 228 K N -0.118 120.315 120.400 0.055 0.000 3.148 228 K HA -0.180 4.140 4.320 -0.000 0.000 0.267 228 K C -0.036 176.597 176.600 0.055 0.000 0.996 228 K CA 0.874 57.197 56.287 0.061 0.000 0.737 228 K CB -1.891 30.640 32.500 0.051 0.000 1.308 228 K HN 0.365 nan 8.250 nan 0.000 0.470 229 A N 0.907 123.751 122.820 0.040 0.000 2.337 229 A HA 0.739 5.059 4.320 -0.000 0.000 0.331 229 A C -2.223 175.334 177.584 -0.046 0.000 1.137 229 A CA -1.472 50.574 52.037 0.015 0.000 0.807 229 A CB 1.240 20.242 19.000 0.003 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.343 nan 4.420 nan 0.000 0.274 230 P C -0.826 176.261 177.300 -0.354 0.000 1.231 230 P CA -0.026 62.933 63.100 -0.234 0.000 0.790 230 P CB 1.126 32.690 31.700 -0.226 0.000 0.951 231 V N 2.832 122.416 119.914 -0.551 0.000 2.487 231 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 231 V C -0.583 175.098 176.094 -0.688 0.000 1.028 231 V CA -0.279 61.675 62.300 -0.577 0.000 0.860 231 V CB 1.285 32.542 31.823 -0.943 0.000 0.991 231 V HN 0.594 nan 8.190 nan 0.000 0.427 232 W N 2.589 123.657 121.300 -0.388 0.000 2.719 232 W HA 0.761 5.421 4.660 -0.000 0.000 0.352 232 W C -0.555 175.784 176.519 -0.301 0.000 1.085 232 W CA -0.910 56.181 57.345 -0.424 0.000 1.187 232 W CB 1.519 30.742 29.460 -0.395 0.000 1.417 232 W HN 0.276 nan 8.180 nan 0.000 0.557 233 V N 2.810 122.680 119.914 -0.073 0.000 2.427 233 V HA 0.594 4.714 4.120 -0.000 0.000 0.286 233 V C 0.546 176.524 176.094 -0.193 0.000 1.034 233 V CA -1.277 60.954 62.300 -0.115 0.000 0.893 233 V CB 0.480 32.128 31.823 -0.291 0.000 0.982 233 V HN 0.693 nan 8.190 nan 0.000 0.452 234 A N 8.379 131.122 122.820 -0.127 0.000 2.520 234 A HA 0.369 4.689 4.320 -0.000 0.000 0.235 234 A C -1.828 175.632 177.584 -0.208 0.000 1.065 234 A CA -0.652 51.289 52.037 -0.161 0.000 0.764 234 A CB -0.415 18.575 19.000 -0.016 0.000 1.002 234 A HN 0.702 nan 8.150 nan 0.000 0.502 235 P HA 0.048 nan 4.420 nan 0.000 0.268 235 P C 0.014 177.250 177.300 -0.108 0.000 1.208 235 P CA 0.699 63.677 63.100 -0.204 0.000 0.777 235 P CB 0.550 32.136 31.700 -0.190 0.000 0.875 236 S N -1.334 114.310 115.700 -0.093 0.000 3.635 236 S HA -0.179 4.290 4.470 -0.000 0.000 0.328 236 S C 0.667 175.304 174.600 0.061 0.000 1.135 236 S CA 0.700 58.899 58.200 -0.001 0.000 0.942 236 S CB -2.224 61.025 63.200 0.082 0.000 0.930 236 S HN 0.977 nan 8.310 nan 0.000 0.512 237 A N 0.786 123.599 122.820 -0.012 0.000 2.563 237 A HA 0.301 4.621 4.320 -0.000 0.000 0.256 237 A C -0.597 177.237 177.584 0.417 0.000 1.056 237 A CA -0.132 51.993 52.037 0.147 0.000 0.775 237 A CB 0.061 19.098 19.000 0.061 0.000 0.973 237 A HN 0.321 nan 8.150 nan 0.000 0.516 238 P HA 0.072 nan 4.420 nan 0.000 0.235 238 P C 0.211 177.734 177.300 0.372 0.000 1.177 238 P CA 0.793 64.114 63.100 0.369 0.000 0.785 238 P CB 0.364 32.170 31.700 0.177 0.000 0.885 239 R N -2.719 118.012 120.500 0.386 0.000 2.781 239 R HA 0.542 4.882 4.340 -0.000 0.000 0.269 239 R C -1.449 175.101 176.300 0.417 0.000 1.025 239 R CA -0.802 55.470 56.100 0.287 0.000 0.914 239 R CB 1.039 31.395 30.300 0.095 0.000 1.236 239 R HN -0.154 nan 8.270 nan 0.000 0.465 240 C N 2.937 122.401 119.300 0.273 0.000 2.264 240 C HA 0.525 4.984 4.460 -0.000 0.000 0.324 240 C C -1.687 173.403 174.990 0.166 0.000 1.267 240 C CA -1.862 57.331 59.018 0.291 0.000 1.618 240 C CB 0.677 28.434 27.740 0.029 0.000 2.278 240 C HN 0.626 nan 8.230 nan 0.000 0.499 241 P HA 0.223 nan 4.420 nan 0.000 0.274 241 P C -0.337 177.109 177.300 0.243 0.000 1.352 241 P CA 0.225 63.430 63.100 0.175 0.000 0.947 241 P CB 0.136 31.940 31.700 0.173 0.000 1.437 242 F N 1.779 121.696 119.950 -0.054 0.000 2.665 242 F HA 0.451 4.978 4.527 -0.000 0.000 0.308 242 F C -2.605 173.014 175.800 -0.301 0.000 1.112 242 F CA -2.313 55.599 58.000 -0.146 0.000 0.972 242 F CB 2.159 41.105 39.000 -0.091 0.000 1.295 242 F HN -0.332 nan 8.300 nan 0.000 0.440 243 P HA 0.071 nan 4.420 nan 0.000 0.271 243 P C 0.469 177.511 177.300 -0.430 0.000 1.233 243 P CA 0.157 63.031 63.100 -0.376 0.000 0.764 243 P CB 0.751 32.251 31.700 -0.334 0.000 0.825 244 T N 0.902 115.142 114.554 -0.525 0.000 3.077 244 T HA -0.061 4.288 4.350 -0.000 0.000 0.269 244 T C 1.144 175.777 174.700 -0.112 0.000 1.146 244 T CA 0.697 62.371 62.100 -0.710 0.000 1.091 244 T CB -0.346 68.315 68.868 -0.345 0.000 0.892 244 T HN 0.238 nan 8.240 nan 0.000 0.533 245 R N 0.217 120.689 120.500 -0.047 0.000 2.508 245 R HA 0.207 4.547 4.340 -0.000 0.000 0.300 245 R C 0.290 176.642 176.300 0.087 0.000 0.970 245 R CA -0.346 55.785 56.100 0.052 0.000 1.102 245 R CB -0.337 29.964 30.300 0.001 0.000 1.246 245 R HN 0.598 nan 8.270 nan 0.000 0.539 246 H N 3.429 122.513 119.070 0.024 0.000 2.815 246 H HA 0.059 4.614 4.556 -0.000 0.000 0.350 246 H C -1.375 174.035 175.328 0.137 0.000 1.080 246 H CA -1.173 54.904 56.048 0.050 0.000 1.433 246 H CB 1.579 31.348 29.762 0.011 0.000 1.432 246 H HN -0.126 nan 8.280 nan 0.000 0.592 247 P HA -0.173 nan 4.420 nan 0.000 0.217 247 P C 1.379 178.814 177.300 0.224 0.000 1.148 247 P CA 1.217 64.339 63.100 0.038 0.000 0.834 247 P CB -0.047 31.590 31.700 -0.105 0.000 0.783 248 C N -2.248 117.402 119.300 0.583 0.000 2.464 248 C HA 0.129 4.589 4.460 -0.000 0.000 0.278 248 C C 1.487 176.530 174.990 0.088 0.000 1.375 248 C CA -0.615 58.574 59.018 0.286 0.000 1.761 248 C CB -1.860 26.028 27.740 0.248 0.000 1.944 248 C HN 0.109 nan 8.230 nan 0.000 0.509 249 F N 2.250 122.257 119.950 0.095 0.000 2.623 249 F HA 0.077 4.604 4.527 -0.000 0.000 0.383 249 F C 1.295 176.914 175.800 -0.301 0.000 1.077 249 F CA 0.601 58.542 58.000 -0.098 0.000 1.268 249 F CB 0.463 39.543 39.000 0.133 0.000 1.053 249 F HN 0.049 nan 8.300 nan 0.000 0.571 250 R N 3.788 123.532 120.500 -1.260 0.000 2.565 250 R HA 0.301 4.641 4.340 -0.000 0.000 0.347 250 R C 0.598 176.105 176.300 -1.321 0.000 1.010 250 R CA 0.348 55.622 56.100 -1.378 0.000 1.126 250 R CB 0.006 28.973 30.300 -2.223 0.000 1.331 250 R HN 0.972 nan 8.270 nan 0.000 0.552 251 G N 1.347 109.023 108.800 -1.874 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 -0.884 173.642 174.900 -0.622 0.000 1.345 251 G CA -0.489 43.964 45.100 -1.078 0.000 0.871 251 G HN 0.199 nan 8.290 nan 0.000 0.540 252 L N 0.718 121.646 121.223 -0.491 0.000 2.319 252 L HA 0.690 5.030 4.340 -0.000 0.000 0.280 252 L C 1.079 177.754 176.870 -0.325 0.000 1.099 252 L CA -0.177 54.293 54.840 -0.616 0.000 0.828 252 L CB 0.527 41.958 42.059 -1.047 0.000 1.150 252 L HN 0.601 nan 8.230 nan 0.000 0.442 253 M N 7.823 127.245 119.600 -0.296 0.000 2.228 253 M HA 0.283 4.763 4.480 -0.000 0.000 0.351 253 M C -2.000 174.136 176.300 -0.275 0.000 1.233 253 M CA -1.533 53.583 55.300 -0.308 0.000 1.129 253 M CB 0.525 32.851 32.600 -0.455 0.000 1.604 253 M HN 0.492 nan 8.290 nan 0.000 0.457 254 P HA 0.099 nan 4.420 nan 0.000 0.271 254 P C -0.687 176.551 177.300 -0.103 0.000 1.216 254 P CA -0.205 62.808 63.100 -0.145 0.000 0.776 254 P CB 0.579 32.212 31.700 -0.112 0.000 0.881 255 A N 3.011 125.813 122.820 -0.031 0.000 2.900 255 A HA 0.414 4.734 4.320 -0.000 0.000 0.246 255 A C 0.939 178.644 177.584 0.202 0.000 1.725 255 A CA 0.147 52.239 52.037 0.093 0.000 1.400 255 A CB -1.443 17.651 19.000 0.155 0.000 0.973 255 A HN 0.642 nan 8.150 nan 0.000 0.635 256 G N -0.814 108.072 108.800 0.143 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 0.648 175.529 174.900 -0.032 0.000 1.322 256 G CA -0.647 44.474 45.100 0.035 0.000 0.969 256 G HN 0.174 nan 8.290 nan 0.000 0.490 257 I N 1.669 121.999 120.570 -0.400 0.000 2.099 257 I HA -0.263 3.907 4.170 -0.000 0.000 0.239 257 I C 3.102 179.108 176.117 -0.186 0.000 1.066 257 I CA 1.879 62.894 61.300 -0.475 0.000 1.324 257 I CB -0.154 37.438 38.000 -0.678 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.735 123.420 122.820 -0.224 0.000 1.883 258 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 258 A C 2.556 180.065 177.584 -0.127 0.000 1.186 258 A CA 2.086 54.023 52.037 -0.166 0.000 0.624 258 A CB -1.047 17.847 19.000 -0.178 0.000 0.822 258 A HN 0.468 nan 8.150 nan 0.000 0.444 259 A N -0.175 122.570 122.820 -0.125 0.000 1.917 259 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 259 A C 2.157 179.634 177.584 -0.179 0.000 1.182 259 A CA 1.789 53.748 52.037 -0.131 0.000 0.633 259 A CB -0.636 18.293 19.000 -0.118 0.000 0.819 259 A HN 0.534 nan 8.150 nan 0.000 0.448 260 I N 0.350 120.821 120.570 -0.165 0.000 2.286 260 I HA -0.205 3.964 4.170 -0.000 0.000 0.245 260 I C 2.840 178.843 176.117 -0.190 0.000 1.104 260 I CA 1.463 62.609 61.300 -0.256 0.000 1.397 260 I CB -0.293 37.559 38.000 -0.247 0.000 1.072 260 I HN 0.523 nan 8.210 nan 0.000 0.417 261 S N 0.203 115.861 115.700 -0.069 0.000 2.419 261 S HA -0.255 4.215 4.470 -0.000 0.000 0.233 261 S C 1.901 176.461 174.600 -0.067 0.000 1.016 261 S CA 1.056 59.239 58.200 -0.028 0.000 0.974 261 S CB -0.336 62.867 63.200 0.005 0.000 0.786 261 S HN 0.349 nan 8.310 nan 0.000 0.492 262 Q N 1.084 120.824 119.800 -0.100 0.000 2.046 262 Q HA 0.092 4.431 4.340 -0.000 0.000 0.200 262 Q C 1.977 177.911 176.000 -0.109 0.000 0.975 262 Q CA 1.224 56.973 55.803 -0.091 0.000 0.836 262 Q CB -0.817 27.863 28.738 -0.095 0.000 0.896 262 Q HN 0.459 nan 8.270 nan 0.000 0.428 263 L N -0.162 120.935 121.223 -0.209 0.000 2.042 263 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 263 L C 2.002 178.756 176.870 -0.194 0.000 1.076 263 L CA 1.652 56.301 54.840 -0.317 0.000 0.749 263 L CB -0.604 41.012 42.059 -0.739 0.000 0.893 263 L HN 0.315 nan 8.230 nan 0.000 0.432 264 L N -1.068 120.048 121.223 -0.178 0.000 2.554 264 L HA -0.018 4.322 4.340 -0.000 0.000 0.226 264 L C 1.018 177.965 176.870 0.127 0.000 1.137 264 L CA -0.180 54.654 54.840 -0.009 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 0.505 120.731 120.200 0.044 0.000 2.452 265 E HA 0.117 4.466 4.350 -0.000 0.000 0.261 265 E C 1.144 177.738 176.600 -0.009 0.000 0.987 265 E CA 0.843 57.255 56.400 0.020 0.000 0.926 265 E CB 0.417 30.110 29.700 -0.011 0.000 0.934 265 E HN 0.289 nan 8.360 nan 0.000 0.452 266 G N 4.020 112.793 108.800 -0.045 0.000 2.234 266 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.235 266 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.235 266 G C -0.093 174.673 174.900 -0.223 0.000 0.997 266 G CA 0.082 45.097 45.100 -0.142 0.000 0.623 266 G HN 0.712 nan 8.290 nan 0.000 0.514 267 H N 1.871 120.950 119.070 0.015 0.000 2.594 267 H HA 0.259 4.815 4.556 -0.000 0.000 0.304 267 H C 1.208 176.547 175.328 0.019 0.000 1.068 267 H CA 0.285 56.347 56.048 0.024 0.000 1.308 267 H CB 1.427 31.210 29.762 0.034 0.000 1.409 267 H HN 0.480 nan 8.280 nan 0.000 0.460 268 D N 2.448 122.908 120.400 0.100 0.000 2.144 268 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 268 D C 0.476 176.818 176.300 0.070 0.000 0.978 268 D CA 0.566 54.605 54.000 0.065 0.000 0.833 268 D CB 0.379 41.203 40.800 0.040 0.000 0.961 268 D HN 0.110 nan 8.370 nan 0.000 0.470 269 V N 1.129 121.095 119.914 0.087 0.000 2.525 269 V HA 0.296 4.416 4.120 -0.000 0.000 0.299 269 V C -0.511 175.620 176.094 0.062 0.000 1.034 269 V CA -0.975 61.363 62.300 0.062 0.000 0.863 269 V CB 2.491 34.341 31.823 0.045 0.000 0.999 269 V HN -0.070 nan 8.190 nan 0.000 0.423 270 V N 6.095 126.037 119.914 0.046 0.000 2.357 270 V HA 0.450 4.570 4.120 -0.000 0.000 0.284 270 V C -0.400 175.708 176.094 0.024 0.000 1.018 270 V CA -0.569 61.749 62.300 0.030 0.000 0.841 270 V CB 1.621 33.471 31.823 0.045 0.000 0.991 270 V HN 0.654 nan 8.190 nan 0.000 0.437 271 L N 7.503 128.735 121.223 0.015 0.000 2.265 271 L HA 0.616 4.956 4.340 -0.000 0.000 0.289 271 L C -0.346 176.536 176.870 0.019 0.000 1.033 271 L CA 0.216 55.062 54.840 0.011 0.000 0.814 271 L CB 1.411 43.473 42.059 0.005 0.000 1.203 271 L HN 0.439 nan 8.230 nan 0.000 0.423 272 V N 6.867 126.793 119.914 0.021 0.000 2.435 272 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 272 V C 0.141 176.245 176.094 0.017 0.000 1.030 272 V CA -0.430 61.895 62.300 0.041 0.000 0.881 272 V CB 1.473 33.328 31.823 0.052 0.000 0.983 272 V HN 0.601 nan 8.190 nan 0.000 0.445 273 I N 3.134 123.720 120.570 0.026 0.000 2.498 273 I HA 0.580 4.750 4.170 -0.000 0.000 0.290 273 I C 1.002 177.139 176.117 0.033 0.000 1.032 273 I CA -0.588 60.724 61.300 0.021 0.000 1.073 273 I CB 1.855 39.869 38.000 0.023 0.000 1.251 273 I HN 0.828 nan 8.210 nan 0.000 0.426 274 G N 4.526 113.342 108.800 0.026 0.000 2.323 274 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.292 274 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.292 274 G C -0.059 174.878 174.900 0.062 0.000 1.040 274 G CA 0.461 45.586 45.100 0.042 0.000 0.942 274 G HN 1.085 nan 8.290 nan 0.000 0.506 275 A N -0.888 121.961 122.820 0.048 0.000 2.594 275 A HA 0.924 5.244 4.320 -0.000 0.000 0.295 275 A C -2.947 174.647 177.584 0.016 0.000 1.071 275 A CA -1.343 50.726 52.037 0.053 0.000 0.685 275 A CB 1.762 20.808 19.000 0.077 0.000 1.285 275 A HN 0.099 nan 8.150 nan 0.000 0.405 276 P HA 0.404 nan 4.420 nan 0.000 0.277 276 P C -0.769 176.451 177.300 -0.133 0.000 1.240 276 P CA -0.252 62.816 63.100 -0.055 0.000 0.798 276 P CB 1.047 32.723 31.700 -0.040 0.000 0.979 277 V N 3.864 123.589 119.914 -0.314 0.000 2.259 277 V HA 0.393 4.512 4.120 -0.000 0.000 0.267 277 V C -0.444 175.292 176.094 -0.596 0.000 1.051 277 V CA 0.058 61.886 62.300 -0.786 0.000 0.830 277 V CB -1.190 30.138 31.823 -0.825 0.000 1.080 277 V HN 0.461 nan 8.190 nan 0.000 0.467 278 F N 2.022 121.711 119.950 -0.434 0.000 2.599 278 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 278 F C 0.482 175.900 175.800 -0.637 0.000 1.076 278 F CA -1.304 56.344 58.000 -0.587 0.000 0.937 278 F CB 2.183 40.666 39.000 -0.863 0.000 1.282 278 F HN 0.154 nan 8.300 nan 0.000 0.460 279 R N 2.490 122.898 120.500 -0.154 0.000 3.641 279 R HA 0.178 4.518 4.340 -0.000 0.000 0.189 279 R C -1.222 175.041 176.300 -0.062 0.000 1.706 279 R CA 0.032 56.078 56.100 -0.090 0.000 1.311 279 R CB -1.190 29.094 30.300 -0.025 0.000 1.330 279 R HN 0.431 nan 8.270 nan 0.000 0.727 280 Y N 0.444 120.821 120.300 0.129 0.000 2.394 280 Y HA -0.011 4.539 4.550 -0.000 0.000 0.351 280 Y C 1.598 177.582 175.900 0.140 0.000 1.272 280 Y CA 0.275 58.450 58.100 0.124 0.000 1.508 280 Y CB 0.406 38.954 38.460 0.146 0.000 1.369 280 Y HN 0.479 nan 8.280 nan 0.000 0.639 281 H N -0.411 118.786 119.070 0.212 0.000 3.539 281 H HA 0.072 4.628 4.556 -0.000 0.000 0.134 281 H C -0.106 175.266 175.328 0.073 0.000 1.139 281 H CA 0.416 56.527 56.048 0.106 0.000 1.031 281 H CB -0.051 29.744 29.762 0.056 0.000 1.174 281 H HN 0.671 nan 8.280 nan 0.000 0.297 282 Q N 1.162 121.063 119.800 0.168 0.000 2.454 282 Q HA -0.049 4.291 4.340 -0.000 0.000 0.247 282 Q C -0.795 175.293 176.000 0.147 0.000 1.028 282 Q CA -0.205 55.619 55.803 0.035 0.000 0.910 282 Q CB 0.451 29.147 28.738 -0.071 0.000 1.276 282 Q HN 0.465 nan 8.270 nan 0.000 0.489 283 Y N 1.626 121.941 120.300 0.025 0.000 2.585 283 Y HA 0.176 4.726 4.550 -0.000 0.000 0.354 283 Y C -0.921 174.969 175.900 -0.016 0.000 1.024 283 Y CA -0.769 57.339 58.100 0.013 0.000 1.321 283 Y CB 0.337 38.824 38.460 0.044 0.000 1.151 283 Y HN 0.729 nan 8.280 nan 0.000 0.525 284 D N 8.950 129.112 120.400 -0.397 0.000 2.607 284 D HA 0.264 4.903 4.640 -0.000 0.000 0.318 284 D C -2.889 173.093 176.300 -0.529 0.000 1.212 284 D CA -2.197 51.570 54.000 -0.388 0.000 0.861 284 D CB 0.638 41.318 40.800 -0.201 0.000 1.064 284 D HN 0.247 nan 8.370 nan 0.000 0.500 285 P HA 0.324 nan 4.420 nan 0.000 0.265 285 P C 0.444 177.516 177.300 -0.381 0.000 1.187 285 P CA 0.406 63.131 63.100 -0.625 0.000 0.766 285 P CB 1.480 32.788 31.700 -0.654 0.000 0.820 286 G N 1.769 110.360 108.800 -0.347 0.000 2.399 286 G HA2 0.100 4.060 3.960 -0.000 0.000 0.256 286 G HA3 0.100 4.060 3.960 -0.000 0.000 0.256 286 G C -1.628 173.096 174.900 -0.294 0.000 1.236 286 G CA -0.656 44.287 45.100 -0.262 0.000 0.914 286 G HN 0.474 nan 8.290 nan 0.000 0.482 287 Q N -0.517 119.159 119.800 -0.206 0.000 2.259 287 Q HA 0.455 4.795 4.340 -0.000 0.000 0.249 287 Q C 0.279 176.207 176.000 -0.120 0.000 0.914 287 Q CA -0.529 55.173 55.803 -0.167 0.000 0.904 287 Q CB 1.745 30.441 28.738 -0.069 0.000 1.213 287 Q HN 0.565 nan 8.270 nan 0.000 0.428 288 Y N 1.128 121.427 120.300 -0.001 0.000 2.242 288 Y HA -0.069 4.481 4.550 -0.000 0.000 0.291 288 Y C 0.541 176.489 175.900 0.081 0.000 1.137 288 Y CA 0.522 58.657 58.100 0.058 0.000 1.181 288 Y CB 0.538 39.037 38.460 0.065 0.000 0.989 288 Y HN 0.369 nan 8.280 nan 0.000 0.527 289 L N 0.112 121.451 121.223 0.194 0.000 2.472 289 L HA 0.328 4.668 4.340 -0.000 0.000 0.260 289 L C -0.850 176.058 176.870 0.062 0.000 0.963 289 L CA -1.235 53.678 54.840 0.121 0.000 0.829 289 L CB 1.963 44.092 42.059 0.116 0.000 1.348 289 L HN -0.256 nan 8.230 nan 0.000 0.408 290 K N 1.859 122.281 120.400 0.037 0.000 2.237 290 K HA 0.366 4.686 4.320 -0.000 0.000 0.270 290 K C -2.371 174.241 176.600 0.020 0.000 1.015 290 K CA -1.696 54.599 56.287 0.015 0.000 0.949 290 K CB 0.633 33.134 32.500 0.002 0.000 0.976 290 K HN 0.195 nan 8.250 nan 0.000 0.472 291 P HA -0.023 nan 4.420 nan 0.000 0.265 291 P C 0.639 177.946 177.300 0.012 0.000 1.187 291 P CA 0.866 63.974 63.100 0.012 0.000 0.766 291 P CB 0.415 32.118 31.700 0.005 0.000 0.820 292 G N 1.202 110.011 108.800 0.015 0.000 2.213 292 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 292 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 292 G C 0.201 175.116 174.900 0.026 0.000 0.992 292 G CA -0.037 45.072 45.100 0.014 0.000 0.632 292 G HN 0.619 nan 8.290 nan 0.000 0.511 293 T N 1.423 115.998 114.554 0.035 0.000 2.794 293 T HA 0.621 4.971 4.350 -0.000 0.000 0.280 293 T C 0.028 174.755 174.700 0.045 0.000 0.987 293 T CA -0.335 61.796 62.100 0.051 0.000 0.993 293 T CB 1.905 70.812 68.868 0.065 0.000 0.939 293 T HN 0.538 nan 8.240 nan 0.000 0.449 294 R N 3.545 124.070 120.500 0.043 0.000 2.562 294 R HA 0.700 5.040 4.340 -0.000 0.000 0.298 294 R C -1.516 174.801 176.300 0.028 0.000 0.961 294 R CA -0.776 55.342 56.100 0.029 0.000 0.881 294 R CB 1.144 31.458 30.300 0.023 0.000 1.159 294 R HN 0.592 nan 8.270 nan 0.000 0.450 295 L N 5.481 126.711 121.223 0.011 0.000 2.346 295 L HA 0.599 4.939 4.340 -0.000 0.000 0.276 295 L C -1.321 175.534 176.870 -0.024 0.000 1.006 295 L CA -0.767 54.072 54.840 -0.001 0.000 0.817 295 L CB 1.654 43.703 42.059 -0.016 0.000 1.272 295 L HN 0.666 nan 8.230 nan 0.000 0.421 296 I N 3.666 124.224 120.570 -0.021 0.000 2.447 296 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 296 I C -0.564 175.531 176.117 -0.038 0.000 1.023 296 I CA -0.326 60.957 61.300 -0.028 0.000 1.083 296 I CB 2.078 40.070 38.000 -0.013 0.000 1.245 296 I HN 0.515 nan 8.210 nan 0.000 0.434 297 S N 5.698 121.364 115.700 -0.058 0.000 2.454 297 S HA 0.642 5.112 4.470 -0.000 0.000 0.306 297 S C -0.797 173.775 174.600 -0.046 0.000 1.100 297 S CA -0.475 57.687 58.200 -0.064 0.000 1.087 297 S CB 1.322 64.455 63.200 -0.112 0.000 1.019 297 S HN 0.324 nan 8.310 nan 0.000 0.480 298 V N 4.882 124.778 119.914 -0.031 0.000 2.313 298 V HA 0.546 4.666 4.120 -0.000 0.000 0.278 298 V C 0.408 176.487 176.094 -0.024 0.000 1.017 298 V CA -0.465 61.820 62.300 -0.024 0.000 0.823 298 V CB 0.962 32.777 31.823 -0.012 0.000 1.010 298 V HN 0.935 nan 8.190 nan 0.000 0.443 299 T N 3.190 117.724 114.554 -0.034 0.000 2.916 299 T HA 0.289 4.639 4.350 -0.000 0.000 0.292 299 T C 0.836 175.504 174.700 -0.053 0.000 1.055 299 T CA -0.104 61.975 62.100 -0.035 0.000 1.009 299 T CB 1.473 70.319 68.868 -0.036 0.000 1.118 299 T HN 0.821 nan 8.240 nan 0.000 0.497 300 C N 1.403 120.654 119.300 -0.082 0.000 2.791 300 C HA 0.495 4.955 4.460 -0.000 0.000 0.270 300 C C 0.361 175.250 174.990 -0.168 0.000 1.257 300 C CA -0.551 58.389 59.018 -0.130 0.000 1.699 300 C CB -1.225 26.406 27.740 -0.182 0.000 1.904 300 C HN 0.738 nan 8.230 nan 0.000 0.603 301 D N 1.174 121.500 120.400 -0.123 0.000 2.481 301 D HA 0.361 5.000 4.640 -0.000 0.000 0.246 301 D C -1.954 174.324 176.300 -0.038 0.000 1.109 301 D CA -1.746 52.198 54.000 -0.093 0.000 0.845 301 D CB 2.190 42.978 40.800 -0.019 0.000 1.160 301 D HN -0.092 nan 8.370 nan 0.000 0.534 302 P HA -0.076 nan 4.420 nan 0.000 0.216 302 P C 1.759 179.062 177.300 0.005 0.000 1.150 302 P CA 0.801 63.893 63.100 -0.013 0.000 0.837 302 P CB 0.399 32.096 31.700 -0.005 0.000 0.786 303 L N -0.769 120.471 121.223 0.028 0.000 2.131 303 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 303 L C 2.355 179.244 176.870 0.033 0.000 1.092 303 L CA 1.538 56.411 54.840 0.055 0.000 0.759 303 L CB -0.726 41.402 42.059 0.115 0.000 0.903 303 L HN 0.074 nan 8.230 nan 0.000 0.435 304 E N -0.026 120.184 120.200 0.018 0.000 2.046 304 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 304 E C 2.326 178.900 176.600 -0.043 0.000 0.982 304 E CA 1.037 57.431 56.400 -0.008 0.000 0.800 304 E CB -0.104 29.596 29.700 0.001 0.000 0.756 304 E HN 0.462 nan 8.360 nan 0.000 0.449 305 A N 1.236 124.032 122.820 -0.041 0.000 1.972 305 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 305 A C 2.299 179.851 177.584 -0.053 0.000 1.169 305 A CA 1.701 53.705 52.037 -0.056 0.000 0.635 305 A CB -0.531 18.443 19.000 -0.045 0.000 0.810 305 A HN 0.307 nan 8.150 nan 0.000 0.446 306 A N 0.750 123.551 122.820 -0.031 0.000 1.897 306 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 306 A C 2.169 179.733 177.584 -0.034 0.000 1.181 306 A CA 1.489 53.511 52.037 -0.024 0.000 0.620 306 A CB -0.428 18.571 19.000 -0.003 0.000 0.821 306 A HN 0.696 nan 8.150 nan 0.000 0.443 307 R N -0.331 120.149 120.500 -0.032 0.000 2.299 307 R HA 0.415 4.755 4.340 -0.000 0.000 0.197 307 R C 0.761 177.007 176.300 -0.089 0.000 0.971 307 R CA 0.568 56.645 56.100 -0.039 0.000 1.030 307 R CB -0.548 29.747 30.300 -0.008 0.000 0.932 307 R HN 0.271 nan 8.270 nan 0.000 0.477 308 A N 3.606 126.351 122.820 -0.126 0.000 2.545 308 A HA 0.126 4.446 4.320 -0.000 0.000 0.253 308 A C -1.423 176.025 177.584 -0.228 0.000 1.074 308 A CA -1.119 50.793 52.037 -0.208 0.000 0.760 308 A CB 0.143 19.011 19.000 -0.220 0.000 1.005 308 A HN 0.303 nan 8.150 nan 0.000 0.506 309 P HA 0.032 nan 4.420 nan 0.000 0.245 309 P C -0.169 176.911 177.300 -0.367 0.000 1.212 309 P CA 0.752 63.599 63.100 -0.422 0.000 0.774 309 P CB -0.122 31.064 31.700 -0.856 0.000 0.999 310 M N -3.025 116.397 119.600 -0.297 0.000 2.833 310 M HA 0.578 5.058 4.480 -0.000 0.000 0.270 310 M C -0.438 175.772 176.300 -0.150 0.000 1.209 310 M CA -0.080 55.114 55.300 -0.176 0.000 0.826 310 M CB 1.032 33.555 32.600 -0.128 0.000 1.657 310 M HN 0.034 nan 8.290 nan 0.000 0.492 311 G N 1.577 110.323 108.800 -0.089 0.000 2.829 311 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.628 311 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.628 311 G C -1.312 173.545 174.900 -0.072 0.000 1.412 311 G CA -0.087 44.968 45.100 -0.075 0.000 0.864 311 G HN 1.023 nan 8.290 nan 0.000 0.544 312 D N 0.038 120.405 120.400 -0.056 0.000 2.388 312 D HA 0.751 5.391 4.640 -0.000 0.000 0.254 312 D C 0.681 176.947 176.300 -0.058 0.000 1.111 312 D CA 0.886 54.857 54.000 -0.048 0.000 0.993 312 D CB 1.640 42.421 40.800 -0.032 0.000 1.118 312 D HN 1.289 nan 8.370 nan 0.000 0.502 313 A N 0.347 123.137 122.820 -0.050 0.000 2.572 313 A HA 0.708 5.027 4.320 -0.000 0.000 0.295 313 A C -1.268 176.293 177.584 -0.038 0.000 1.072 313 A CA -0.619 51.387 52.037 -0.052 0.000 0.691 313 A CB 1.262 20.224 19.000 -0.063 0.000 1.291 313 A HN 0.453 nan 8.150 nan 0.000 0.404 314 I N 1.477 122.026 120.570 -0.036 0.000 2.468 314 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 314 I C -0.953 175.145 176.117 -0.032 0.000 1.039 314 I CA -0.858 60.425 61.300 -0.029 0.000 1.074 314 I CB 2.134 40.120 38.000 -0.023 0.000 1.228 314 I HN 0.310 nan 8.210 nan 0.000 0.436 315 V N 5.926 125.821 119.914 -0.031 0.000 2.348 315 V HA 0.821 4.941 4.120 -0.000 0.000 0.270 315 V C 0.373 176.446 176.094 -0.035 0.000 1.037 315 V CA -0.015 62.263 62.300 -0.037 0.000 0.872 315 V CB 0.575 32.377 31.823 -0.036 0.000 1.002 315 V HN 0.895 nan 8.190 nan 0.000 0.464 316 A N 3.743 126.540 122.820 -0.038 0.000 2.493 316 A HA 0.630 4.949 4.320 -0.000 0.000 0.300 316 A C -1.173 176.388 177.584 -0.038 0.000 1.152 316 A CA -0.754 51.263 52.037 -0.034 0.000 0.643 316 A CB 0.956 19.942 19.000 -0.023 0.000 1.316 316 A HN 0.666 nan 8.150 nan 0.000 0.469 317 D N 0.206 120.588 120.400 -0.030 0.000 2.383 317 D HA 0.308 4.948 4.640 -0.000 0.000 0.252 317 D C 1.118 177.407 176.300 -0.019 0.000 1.166 317 D CA -0.337 53.646 54.000 -0.028 0.000 0.879 317 D CB 0.336 41.126 40.800 -0.017 0.000 1.164 317 D HN 0.282 nan 8.370 nan 0.000 0.462 318 I N 3.764 124.322 120.570 -0.019 0.000 2.286 318 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 318 I C 2.227 178.348 176.117 0.007 0.000 1.115 318 I CA 1.094 62.392 61.300 -0.004 0.000 1.392 318 I CB -1.544 36.457 38.000 0.003 0.000 1.065 318 I HN 0.656 nan 8.210 nan 0.000 0.418 319 G N 0.740 109.543 108.800 0.006 0.000 2.414 319 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 319 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 319 G C 1.889 176.795 174.900 0.010 0.000 1.188 319 G CA 1.049 46.156 45.100 0.012 0.000 0.783 319 G HN 0.471 nan 8.290 nan 0.000 0.537 320 A N 0.478 123.301 122.820 0.006 0.000 1.883 320 A HA -0.041 4.278 4.320 -0.000 0.000 0.217 320 A C 2.466 180.052 177.584 0.004 0.000 1.186 320 A CA 2.195 54.235 52.037 0.004 0.000 0.624 320 A CB -0.374 18.627 19.000 0.001 0.000 0.822 320 A HN 0.303 nan 8.150 nan 0.000 0.444 321 M N -0.563 119.039 119.600 0.002 0.000 2.099 321 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 321 M C 2.572 178.877 176.300 0.009 0.000 1.067 321 M CA 1.583 56.885 55.300 0.003 0.000 1.124 321 M CB -1.582 31.017 32.600 -0.001 0.000 1.353 321 M HN 0.492 nan 8.290 nan 0.000 0.410 322 A N -0.337 122.492 122.820 0.014 0.000 1.883 322 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 322 A C 2.504 180.101 177.584 0.021 0.000 1.186 322 A CA 2.516 54.566 52.037 0.022 0.000 0.624 322 A CB -1.068 17.949 19.000 0.029 0.000 0.822 322 A HN 0.509 nan 8.150 nan 0.000 0.444 323 S N -0.469 115.241 115.700 0.016 0.000 2.343 323 S HA -0.074 4.396 4.470 -0.000 0.000 0.219 323 S C 2.251 176.858 174.600 0.013 0.000 1.033 323 S CA 1.865 60.074 58.200 0.014 0.000 1.014 323 S CB -0.658 62.548 63.200 0.011 0.000 0.915 323 S HN 0.940 nan 8.310 nan 0.000 0.435 324 A N 1.646 124.472 122.820 0.010 0.000 1.873 324 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 324 A C 2.319 179.909 177.584 0.010 0.000 1.193 324 A CA 1.878 53.919 52.037 0.008 0.000 0.629 324 A CB -1.091 17.912 19.000 0.005 0.000 0.826 324 A HN 0.600 nan 8.150 nan 0.000 0.447 325 L N -0.962 120.268 121.223 0.012 0.000 2.017 325 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 325 L C 3.118 179.999 176.870 0.018 0.000 1.073 325 L CA 1.123 55.971 54.840 0.014 0.000 0.745 325 L CB -0.611 41.457 42.059 0.014 0.000 0.894 325 L HN 0.457 nan 8.230 nan 0.000 0.432 326 A N 0.183 123.016 122.820 0.021 0.000 1.978 326 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 326 A C 1.829 179.425 177.584 0.021 0.000 1.170 326 A CA 1.880 53.931 52.037 0.025 0.000 0.636 326 A CB -0.471 18.545 19.000 0.027 0.000 0.810 326 A HN 0.516 nan 8.150 nan 0.000 0.448 327 N N -0.887 117.823 118.700 0.016 0.000 2.280 327 N HA 0.188 4.928 4.740 -0.000 0.000 0.192 327 N C 1.096 176.613 175.510 0.012 0.000 1.109 327 N CA 0.417 53.475 53.050 0.014 0.000 0.855 327 N CB 0.381 38.874 38.487 0.011 0.000 0.974 327 N HN 0.490 nan 8.380 nan 0.000 0.482 328 L N 0.193 121.424 121.223 0.013 0.000 2.577 328 L HA 0.187 4.527 4.340 -0.000 0.000 0.225 328 L C 0.650 177.528 176.870 0.013 0.000 1.053 328 L CA 0.028 54.875 54.840 0.011 0.000 0.866 328 L CB 0.115 42.179 42.059 0.009 0.000 1.132 328 L HN -0.106 nan 8.230 nan 0.000 0.486 329 V N -0.755 119.168 119.914 0.015 0.000 2.872 329 V HA 0.079 4.199 4.120 -0.000 0.000 0.307 329 V C 0.169 176.274 176.094 0.018 0.000 1.072 329 V CA -0.727 61.583 62.300 0.017 0.000 1.148 329 V CB 0.267 32.103 31.823 0.021 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.616 121.827 120.200 0.018 0.000 2.349 330 E HA 0.296 4.646 4.350 -0.000 0.000 0.262 330 E C -0.359 176.254 176.600 0.021 0.000 1.088 330 E CA -0.529 55.881 56.400 0.018 0.000 0.899 330 E CB 0.896 30.605 29.700 0.016 0.000 1.044 330 E HN 0.909 nan 8.360 nan 0.000 0.420 331 E N 1.529 121.742 120.200 0.021 0.000 2.104 331 E HA 0.030 4.380 4.350 -0.000 0.000 0.278 331 E C -0.653 175.961 176.600 0.024 0.000 1.127 331 E CA -0.086 56.329 56.400 0.024 0.000 0.897 331 E CB 0.554 30.267 29.700 0.022 0.000 1.043 331 E HN 0.324 nan 8.360 nan 0.000 0.410 332 S N 3.057 118.773 115.700 0.027 0.000 2.572 332 S HA 0.024 4.494 4.470 -0.000 0.000 0.279 332 S C 1.058 175.673 174.600 0.024 0.000 1.341 332 S CA 0.141 58.357 58.200 0.026 0.000 1.043 332 S CB 0.561 63.779 63.200 0.031 0.000 0.887 332 S HN 0.662 nan 8.310 nan 0.000 0.516 333 S N 3.939 119.652 115.700 0.021 0.000 2.558 333 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 333 S C 0.737 175.348 174.600 0.019 0.000 0.975 333 S CA -0.287 57.924 58.200 0.018 0.000 0.912 333 S CB -0.148 63.061 63.200 0.014 0.000 0.776 333 S HN 0.710 nan 8.310 nan 0.000 0.526 334 R N 1.545 122.058 120.500 0.022 0.000 2.827 334 R HA 0.159 4.499 4.340 -0.000 0.000 0.269 334 R C 0.070 176.385 176.300 0.024 0.000 1.048 334 R CA -0.047 56.066 56.100 0.023 0.000 1.173 334 R CB 0.183 30.500 30.300 0.029 0.000 1.070 334 R HN 0.355 nan 8.270 nan 0.000 0.498 335 Q N 1.637 121.450 119.800 0.022 0.000 2.304 335 Q HA 0.059 4.399 4.340 -0.000 0.000 0.260 335 Q C -0.237 175.780 176.000 0.028 0.000 0.965 335 Q CA -0.339 55.476 55.803 0.021 0.000 0.898 335 Q CB 0.841 29.588 28.738 0.015 0.000 1.196 335 Q HN 0.285 nan 8.270 nan 0.000 0.402 336 L N 5.183 126.424 121.223 0.030 0.000 2.490 336 L HA 0.142 4.482 4.340 -0.000 0.000 0.274 336 L C -2.106 174.786 176.870 0.036 0.000 1.201 336 L CA -0.767 54.099 54.840 0.043 0.000 0.869 336 L CB 0.029 42.113 42.059 0.041 0.000 1.123 336 L HN 0.428 nan 8.230 nan 0.000 0.484 337 P HA 0.056 nan 4.420 nan 0.000 0.266 337 P C -0.982 176.329 177.300 0.018 0.000 1.193 337 P CA 0.024 63.141 63.100 0.029 0.000 0.770 337 P CB 0.280 31.996 31.700 0.026 0.000 0.836 338 T N 1.829 116.385 114.554 0.003 0.000 2.856 338 T HA 0.433 4.783 4.350 -0.000 0.000 0.292 338 T C 0.347 175.043 174.700 -0.007 0.000 0.980 338 T CA -0.330 61.768 62.100 -0.004 0.000 1.091 338 T CB 0.552 69.416 68.868 -0.007 0.000 0.936 338 T HN 0.464 nan 8.240 nan 0.000 0.503 339 A N 2.694 125.511 122.820 -0.006 0.000 2.531 339 A HA 0.528 4.848 4.320 -0.000 0.000 0.236 339 A C 0.861 178.443 177.584 -0.003 0.000 1.062 339 A CA -0.415 51.625 52.037 0.006 0.000 0.760 339 A CB -0.237 18.763 19.000 -0.001 0.000 0.995 339 A HN 1.079 nan 8.150 nan 0.000 0.501 340 A N 3.727 126.545 122.820 -0.002 0.000 2.445 340 A HA 0.553 4.873 4.320 -0.000 0.000 0.242 340 A C -1.405 176.179 177.584 -0.001 0.000 1.075 340 A CA -0.927 51.098 52.037 -0.019 0.000 0.777 340 A CB -0.516 18.460 19.000 -0.040 0.000 1.013 340 A HN 0.805 nan 8.150 nan 0.000 0.493 341 P HA 0.157 nan 4.420 nan 0.000 0.272 341 P C -0.472 176.832 177.300 0.006 0.000 1.223 341 P CA -0.341 62.760 63.100 0.000 0.000 0.784 341 P CB 0.554 32.252 31.700 -0.003 0.000 0.923 342 E N 2.317 122.522 120.200 0.008 0.000 2.413 342 E HA 0.102 4.452 4.350 -0.000 0.000 0.263 342 E C -1.546 175.060 176.600 0.011 0.000 1.015 342 E CA -0.953 55.455 56.400 0.012 0.000 0.916 342 E CB -0.287 29.419 29.700 0.011 0.000 0.947 342 E HN 0.446 nan 8.360 nan 0.000 0.440 343 P HA 0.084 nan 4.420 nan 0.000 0.269 343 P C -0.711 176.595 177.300 0.011 0.000 1.215 343 P CA -0.281 62.827 63.100 0.012 0.000 0.780 343 P CB 0.595 32.305 31.700 0.017 0.000 0.898 344 A N 2.790 125.614 122.820 0.007 0.000 2.483 344 A HA 0.124 4.444 4.320 -0.000 0.000 0.238 344 A C 0.602 178.188 177.584 0.004 0.000 1.070 344 A CA -0.156 51.883 52.037 0.003 0.000 0.770 344 A CB -0.086 18.913 19.000 -0.002 0.000 1.008 344 A HN 0.520 nan 8.150 nan 0.000 0.497 345 K N 2.885 123.286 120.400 0.003 0.000 2.284 345 K HA 0.343 4.663 4.320 -0.000 0.000 0.287 345 K C -0.613 175.979 176.600 -0.013 0.000 1.081 345 K CA -0.103 56.186 56.287 0.004 0.000 0.910 345 K CB 0.354 32.859 32.500 0.008 0.000 1.088 345 K HN 0.439 nan 8.250 nan 0.000 0.478 346 V N 3.817 123.715 119.914 -0.027 0.000 2.811 346 V HA -0.030 4.090 4.120 -0.000 0.000 0.302 346 V C 0.504 176.552 176.094 -0.076 0.000 1.063 346 V CA -0.306 61.946 62.300 -0.080 0.000 1.088 346 V CB 0.753 32.489 31.823 -0.144 0.000 0.982 346 V HN 0.712 nan 8.190 nan 0.000 0.485 347 D N 2.939 123.280 120.400 -0.100 0.000 2.455 347 D HA 0.246 4.886 4.640 -0.000 0.000 0.241 347 D C -0.044 176.256 176.300 0.000 0.000 1.138 347 D CA 0.385 54.359 54.000 -0.043 0.000 0.877 347 D CB 0.950 41.731 40.800 -0.032 0.000 1.187 347 D HN 0.535 nan 8.370 nan 0.000 0.451 348 Q N 2.195 122.039 119.800 0.072 0.000 2.350 348 Q HA 0.207 4.547 4.340 -0.000 0.000 0.255 348 Q C -1.339 174.719 176.000 0.096 0.000 0.951 348 Q CA -0.754 55.140 55.803 0.153 0.000 0.751 348 Q CB 0.976 29.793 28.738 0.131 0.000 1.296 348 Q HN 0.379 nan 8.270 nan 0.000 0.453 349 D N 1.855 122.313 120.400 0.097 0.000 2.376 349 D HA 0.349 4.989 4.640 -0.000 0.000 0.268 349 D C 0.313 176.635 176.300 0.036 0.000 1.252 349 D CA -0.009 54.024 54.000 0.055 0.000 1.041 349 D CB 0.394 41.223 40.800 0.049 0.000 1.109 349 D HN 0.431 nan 8.370 nan 0.000 0.552 350 A N -1.132 121.702 122.820 0.024 0.000 2.302 350 A HA 0.471 4.791 4.320 -0.000 0.000 0.219 350 A C 0.981 178.568 177.584 0.005 0.000 1.243 350 A CA 0.373 52.419 52.037 0.015 0.000 0.856 350 A CB -1.110 17.898 19.000 0.014 0.000 0.893 350 A HN 0.532 nan 8.150 nan 0.000 0.491 351 G N -0.634 108.165 108.800 -0.001 0.000 2.849 351 G HA2 0.434 4.394 3.960 -0.000 0.000 0.174 351 G HA3 0.434 4.394 3.960 -0.000 0.000 0.174 351 G C -0.042 174.835 174.900 -0.039 0.000 1.370 351 G CA -1.049 44.042 45.100 -0.016 0.000 1.040 351 G HN 0.430 nan 8.290 nan 0.000 0.582 352 R N -0.758 119.706 120.500 -0.059 0.000 2.697 352 R HA 0.130 4.470 4.340 -0.000 0.000 0.265 352 R C -0.621 175.593 176.300 -0.144 0.000 1.009 352 R CA -0.055 55.993 56.100 -0.086 0.000 1.099 352 R CB 0.053 30.299 30.300 -0.090 0.000 0.965 352 R HN 0.139 nan 8.270 nan 0.000 0.428 353 L N 2.634 123.783 121.223 -0.124 0.000 2.375 353 L HA 0.207 4.547 4.340 -0.000 0.000 0.271 353 L C 0.672 177.431 176.870 -0.184 0.000 1.107 353 L CA -0.108 54.656 54.840 -0.126 0.000 0.806 353 L CB 0.532 42.549 42.059 -0.070 0.000 1.146 353 L HN 0.369 nan 8.230 nan 0.000 0.447 354 H N 2.082 121.135 119.070 -0.029 0.000 2.525 354 H HA 0.158 4.714 4.556 -0.000 0.000 0.339 354 H C -1.644 173.648 175.328 -0.060 0.000 1.109 354 H CA -1.608 54.426 56.048 -0.023 0.000 1.352 354 H CB 1.420 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 -0.176 nan 4.420 nan 0.000 0.216 355 P C 1.058 178.321 177.300 -0.062 0.000 1.153 355 P CA 1.394 64.445 63.100 -0.082 0.000 0.858 355 P CB 0.464 32.215 31.700 0.086 0.000 0.789 356 E N -1.062 119.223 120.200 0.142 0.000 2.070 356 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 356 E C 2.014 178.677 176.600 0.105 0.000 1.004 356 E CA 1.919 58.430 56.400 0.184 0.000 0.805 356 E CB -1.563 28.202 29.700 0.109 0.000 0.744 356 E HN 0.236 nan 8.360 nan 0.000 0.451 357 T N 0.309 114.901 114.554 0.064 0.000 2.684 357 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 357 T C 2.007 176.694 174.700 -0.022 0.000 1.036 357 T CA 1.408 63.530 62.100 0.037 0.000 1.148 357 T CB -0.394 68.509 68.868 0.058 0.000 0.863 357 T HN -0.025 nan 8.240 nan 0.000 0.436 358 V N 0.801 120.635 119.914 -0.132 0.000 2.287 358 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 358 V C 2.098 178.076 176.094 -0.194 0.000 1.053 358 V CA 1.780 63.941 62.300 -0.231 0.000 1.027 358 V CB -0.879 30.683 31.823 -0.436 0.000 0.646 358 V HN 0.484 nan 8.190 nan 0.000 0.447 359 F N 0.269 120.225 119.950 0.010 0.000 2.134 359 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 359 F C 2.410 178.199 175.800 -0.019 0.000 1.097 359 F CA 1.431 59.416 58.000 -0.024 0.000 1.264 359 F CB -0.444 38.527 39.000 -0.048 0.000 1.001 359 F HN 0.183 nan 8.300 nan 0.000 0.479 360 D N -0.192 120.304 120.400 0.160 0.000 2.117 360 D HA -0.137 4.502 4.640 -0.000 0.000 0.197 360 D C 2.256 178.599 176.300 0.072 0.000 0.987 360 D CA 1.800 55.857 54.000 0.095 0.000 0.829 360 D CB -0.804 40.038 40.800 0.070 0.000 0.961 360 D HN 0.167 nan 8.370 nan 0.000 0.460 361 T N 1.078 115.665 114.554 0.054 0.000 2.708 361 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 361 T C 2.240 176.980 174.700 0.067 0.000 1.037 361 T CA 0.491 62.617 62.100 0.045 0.000 1.146 361 T CB -0.349 68.533 68.868 0.022 0.000 0.865 361 T HN 0.106 nan 8.240 nan 0.000 0.435 362 L N 1.257 122.535 121.223 0.091 0.000 2.042 362 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 362 L C 2.713 179.682 176.870 0.165 0.000 1.076 362 L CA 1.328 56.259 54.840 0.151 0.000 0.749 362 L CB -0.601 41.596 42.059 0.231 0.000 0.893 362 L HN 0.406 nan 8.230 nan 0.000 0.432 363 N N -0.308 118.470 118.700 0.129 0.000 2.149 363 N HA -0.214 4.526 4.740 -0.000 0.000 0.188 363 N C 1.260 176.819 175.510 0.082 0.000 1.019 363 N CA 1.511 54.622 53.050 0.101 0.000 0.857 363 N CB 0.110 38.629 38.487 0.054 0.000 0.997 363 N HN 0.338 nan 8.380 nan 0.000 0.426 364 D N 0.254 120.694 120.400 0.066 0.000 2.149 364 D HA -0.073 4.567 4.640 -0.000 0.000 0.201 364 D C 1.825 178.153 176.300 0.046 0.000 0.972 364 D CA 1.000 55.029 54.000 0.048 0.000 0.835 364 D CB -0.019 40.804 40.800 0.038 0.000 0.966 364 D HN 0.439 nan 8.370 nan 0.000 0.476 365 M N 0.290 119.923 119.600 0.054 0.000 2.486 365 M HA 0.171 4.650 4.480 -0.000 0.000 0.264 365 M C 0.949 177.274 176.300 0.042 0.000 1.125 365 M CA -0.000 55.325 55.300 0.043 0.000 1.144 365 M CB 0.417 33.040 32.600 0.038 0.000 1.353 365 M HN -0.192 nan 8.290 nan 0.000 0.466 366 A N 2.643 125.504 122.820 0.068 0.000 2.425 366 A HA 0.375 4.695 4.320 -0.000 0.000 0.249 366 A C -2.064 175.534 177.584 0.023 0.000 1.084 366 A CA -1.194 50.870 52.037 0.044 0.000 0.781 366 A CB -0.673 18.384 19.000 0.094 0.000 1.019 366 A HN 0.128 nan 8.150 nan 0.000 0.490 367 P HA 0.050 nan 4.420 nan 0.000 0.269 367 P C 0.189 177.482 177.300 -0.012 0.000 1.215 367 P CA -0.031 63.058 63.100 -0.018 0.000 0.780 367 P CB 0.526 32.204 31.700 -0.038 0.000 0.898 368 E N 1.324 121.521 120.200 -0.005 0.000 2.265 368 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 368 E C 0.823 177.416 176.600 -0.011 0.000 0.996 368 E CA 0.937 57.338 56.400 0.000 0.000 0.832 368 E CB -0.273 29.423 29.700 -0.006 0.000 0.756 368 E HN 0.535 nan 8.360 nan 0.000 0.491 369 N N 0.595 119.278 118.700 -0.030 0.000 2.321 369 N HA 0.143 4.883 4.740 -0.000 0.000 0.242 369 N C -0.231 175.237 175.510 -0.070 0.000 1.141 369 N CA -0.133 52.894 53.050 -0.038 0.000 0.864 369 N CB 0.241 38.708 38.487 -0.034 0.000 1.100 369 N HN -0.061 nan 8.380 nan 0.000 0.510 370 A N 0.764 123.518 122.820 -0.110 0.000 2.406 370 A HA 0.488 4.808 4.320 -0.000 0.000 0.243 370 A C 0.090 177.508 177.584 -0.278 0.000 1.082 370 A CA -0.194 51.697 52.037 -0.242 0.000 0.786 370 A CB 0.177 18.943 19.000 -0.390 0.000 1.029 370 A HN 0.402 nan 8.150 nan 0.000 0.495 371 I N 1.181 121.564 120.570 -0.311 0.000 2.389 371 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 371 I C -1.220 174.750 176.117 -0.245 0.000 0.999 371 I CA -0.236 60.967 61.300 -0.162 0.000 1.129 371 I CB 1.178 39.172 38.000 -0.010 0.000 1.288 371 I HN 0.611 nan 8.210 nan 0.000 0.444 372 Y N 6.134 126.456 120.300 0.036 0.000 2.387 372 Y HA 0.641 5.191 4.550 -0.000 0.000 0.330 372 Y C -0.344 175.564 175.900 0.014 0.000 1.133 372 Y CA -0.794 57.327 58.100 0.034 0.000 1.152 372 Y CB 1.417 39.909 38.460 0.053 0.000 1.215 372 Y HN 0.335 nan 8.280 nan 0.000 0.466 373 L N 2.617 123.943 121.223 0.172 0.000 2.386 373 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 373 L C -0.627 176.307 176.870 0.107 0.000 0.993 373 L CA -0.506 54.383 54.840 0.081 0.000 0.819 373 L CB 1.966 44.062 42.059 0.062 0.000 1.294 373 L HN 0.670 nan 8.230 nan 0.000 0.414 374 N N 1.966 120.712 118.700 0.076 0.000 2.399 374 N HA 0.334 5.073 4.740 -0.000 0.000 0.280 374 N C -0.833 174.884 175.510 0.345 0.000 1.008 374 N CA -0.224 52.975 53.050 0.247 0.000 0.894 374 N CB 1.263 39.942 38.487 0.320 0.000 1.273 374 N HN 0.759 nan 8.380 nan 0.000 0.486 375 E N 2.461 122.831 120.200 0.284 0.000 3.918 375 E HA 0.048 4.398 4.350 -0.000 0.000 0.183 375 E C -1.363 175.379 176.600 0.238 0.000 1.021 375 E CA -0.096 56.446 56.400 0.237 0.000 1.431 375 E CB 0.474 30.267 29.700 0.154 0.000 1.140 375 E HN 0.354 nan 8.360 nan 0.000 0.435 376 S N 0.443 116.316 115.700 0.288 0.000 2.217 376 S HA 0.055 4.525 4.470 -0.000 0.000 0.168 376 S C 1.419 176.184 174.600 0.276 0.000 1.526 376 S CA 0.112 58.465 58.200 0.256 0.000 1.150 376 S CB 0.075 63.441 63.200 0.276 0.000 1.158 376 S HN 0.468 nan 8.310 nan 0.000 0.473 377 T N 0.275 114.993 114.554 0.273 0.000 2.792 377 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 377 T C 1.630 176.451 174.700 0.202 0.000 1.059 377 T CA 2.016 64.282 62.100 0.277 0.000 1.136 377 T CB -0.668 68.342 68.868 0.237 0.000 0.846 377 T HN 0.685 nan 8.240 nan 0.000 0.489 378 S N 0.579 116.377 115.700 0.164 0.000 2.556 378 S HA 0.163 4.633 4.470 -0.000 0.000 0.216 378 S C 1.543 176.175 174.600 0.054 0.000 0.970 378 S CA 0.242 58.490 58.200 0.080 0.000 0.912 378 S CB -0.171 63.072 63.200 0.073 0.000 0.790 378 S HN 0.777 nan 8.310 nan 0.000 0.504 379 T N -3.066 111.572 114.554 0.140 0.000 3.145 379 T HA 0.211 4.561 4.350 -0.000 0.000 0.281 379 T C 1.221 175.998 174.700 0.127 0.000 1.003 379 T CA 0.250 62.461 62.100 0.185 0.000 0.901 379 T CB -0.238 68.857 68.868 0.378 0.000 1.112 379 T HN 0.145 nan 8.240 nan 0.000 0.535 380 T N 2.351 116.965 114.554 0.099 0.000 2.699 380 T HA -0.092 4.258 4.350 -0.000 0.000 0.268 380 T C 2.373 177.104 174.700 0.053 0.000 1.036 380 T CA 1.753 63.899 62.100 0.077 0.000 1.147 380 T CB -0.721 68.174 68.868 0.044 0.000 0.862 380 T HN 0.649 nan 8.240 nan 0.000 0.446 381 A N 1.475 124.300 122.820 0.008 0.000 1.865 381 A HA -0.203 4.117 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 -0.008 0.000 0.623 381 A CB -0.795 18.179 19.000 -0.043 0.000 0.826 381 A HN 0.477 nan 8.150 nan 0.000 0.444 382 Q N -0.925 118.850 119.800 -0.041 0.000 2.124 382 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 382 Q C 2.116 177.948 176.000 -0.281 0.000 0.977 382 Q CA 1.724 57.498 55.803 -0.049 0.000 0.850 382 Q CB -0.485 28.315 28.738 0.103 0.000 0.901 382 Q HN 0.783 nan 8.270 nan 0.000 0.429 383 M N -1.176 118.034 119.600 -0.649 0.000 2.080 383 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 383 M C 1.153 177.079 176.300 -0.623 0.000 1.068 383 M CA 1.665 56.216 55.300 -1.247 0.000 1.109 383 M CB -0.154 31.697 32.600 -1.248 0.000 1.342 383 M HN 0.306 nan 8.290 nan 0.000 0.405 384 W N 0.743 121.788 121.300 -0.425 0.000 2.421 384 W HA -0.156 4.504 4.660 -0.000 0.000 0.270 384 W C 2.298 178.704 176.519 -0.187 0.000 1.233 384 W CA 1.234 58.389 57.345 -0.316 0.000 1.226 384 W CB -0.029 29.276 29.460 -0.259 0.000 1.121 384 W HN 0.397 nan 8.180 nan 0.000 0.579 385 Q N -0.895 118.922 119.800 0.029 0.000 2.250 385 Q HA 0.016 4.355 4.340 -0.000 0.000 0.200 385 Q C 1.808 177.798 176.000 -0.016 0.000 0.941 385 Q CA 0.759 56.582 55.803 0.033 0.000 0.872 385 Q CB -0.021 28.727 28.738 0.016 0.000 0.965 385 Q HN 0.259 nan 8.270 nan 0.000 0.480 386 R N -0.262 120.183 120.500 -0.091 0.000 2.334 386 R HA 0.239 4.579 4.340 -0.000 0.000 0.216 386 R C -0.119 176.121 176.300 -0.099 0.000 0.905 386 R CA 0.032 56.099 56.100 -0.055 0.000 1.064 386 R CB 0.568 30.886 30.300 0.029 0.000 1.046 386 R HN 0.056 nan 8.270 nan 0.000 0.508 387 L N 1.456 122.550 121.223 -0.215 0.000 2.305 387 L HA 0.281 4.621 4.340 -0.000 0.000 0.284 387 L C -0.406 176.350 176.870 -0.190 0.000 1.013 387 L CA -0.542 54.133 54.840 -0.275 0.000 0.819 387 L CB 1.671 43.372 42.059 -0.597 0.000 1.227 387 L HN 0.124 nan 8.230 nan 0.000 0.417 388 N N 5.173 123.817 118.700 -0.093 0.000 2.439 388 N HA 0.310 5.050 4.740 -0.000 0.000 0.243 388 N C -0.822 174.654 175.510 -0.056 0.000 1.088 388 N CA -0.499 52.512 53.050 -0.066 0.000 0.940 388 N CB 0.537 39.008 38.487 -0.027 0.000 1.180 388 N HN 0.568 nan 8.380 nan 0.000 0.505 389 M N 3.641 123.172 119.600 -0.115 0.000 2.055 389 M HA 0.243 4.723 4.480 -0.000 0.000 0.346 389 M C 0.944 177.173 176.300 -0.119 0.000 1.074 389 M CA -0.433 54.816 55.300 -0.085 0.000 1.009 389 M CB 1.493 34.011 32.600 -0.137 0.000 1.423 389 M HN 0.443 nan 8.290 nan 0.000 0.410 390 R N 0.552 121.003 120.500 -0.081 0.000 2.127 390 R HA 0.120 4.460 4.340 -0.000 0.000 0.217 390 R C 0.397 176.634 176.300 -0.106 0.000 1.074 390 R CA 0.675 56.715 56.100 -0.100 0.000 0.991 390 R CB 0.117 30.375 30.300 -0.069 0.000 0.895 390 R HN 0.629 nan 8.270 nan 0.000 0.450 391 N N 1.181 119.837 118.700 -0.074 0.000 2.485 391 N HA 0.302 5.042 4.740 -0.000 0.000 0.280 391 N C -2.600 172.875 175.510 -0.057 0.000 1.205 391 N CA -1.635 51.377 53.050 -0.064 0.000 0.959 391 N CB 0.638 39.100 38.487 -0.041 0.000 1.206 391 N HN -0.221 nan 8.380 nan 0.000 0.545 392 P HA 0.143 nan 4.420 nan 0.000 0.274 392 P C 0.287 177.582 177.300 -0.009 0.000 1.256 392 P CA 0.151 63.237 63.100 -0.024 0.000 0.795 392 P CB 0.272 31.966 31.700 -0.010 0.000 1.038 393 G N 0.487 109.281 108.800 -0.010 0.000 2.366 393 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.299 393 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.299 393 G C 0.532 175.430 174.900 -0.004 0.000 1.020 393 G CA 0.539 45.645 45.100 0.011 0.000 1.026 393 G HN 0.423 nan 8.290 nan 0.000 0.512 394 S N -1.481 114.174 115.700 -0.074 0.000 2.559 394 S HA 0.370 4.840 4.470 -0.000 0.000 0.226 394 S C -0.117 174.514 174.600 0.052 0.000 1.000 394 S CA 0.099 58.300 58.200 0.003 0.000 0.948 394 S CB 0.611 63.821 63.200 0.017 0.000 0.870 394 S HN 0.765 nan 8.310 nan 0.000 0.497 395 Y N 0.727 120.825 120.300 -0.338 0.000 2.441 395 Y HA 0.563 5.113 4.550 -0.000 0.000 0.334 395 Y C -2.187 173.412 175.900 -0.502 0.000 1.061 395 Y CA -1.284 56.643 58.100 -0.289 0.000 1.032 395 Y CB 1.031 39.282 38.460 -0.349 0.000 1.266 395 Y HN 0.064 nan 8.280 nan 0.000 0.441 396 Y N 6.486 126.512 120.300 -0.456 0.000 2.421 396 Y HA 0.568 5.118 4.550 -0.000 0.000 0.339 396 Y C -1.494 174.285 175.900 -0.201 0.000 0.996 396 Y CA -1.075 56.937 58.100 -0.147 0.000 1.046 396 Y CB 2.146 40.684 38.460 0.131 0.000 1.226 396 Y HN 0.589 nan 8.280 nan 0.000 0.445 397 F N 3.090 123.027 119.950 -0.021 0.000 2.574 397 F HA 0.516 5.043 4.527 -0.000 0.000 0.313 397 F C -0.281 175.463 175.800 -0.094 0.000 1.130 397 F CA -1.783 56.230 58.000 0.021 0.000 0.936 397 F CB 0.885 39.958 39.000 0.120 0.000 1.219 397 F HN 0.722 nan 8.300 nan 0.000 0.445 398 C N 4.667 123.462 119.300 -0.841 0.000 2.250 398 C HA 0.352 4.812 4.460 -0.000 0.000 0.405 398 C C 1.716 176.319 174.990 -0.645 0.000 1.516 398 C CA -0.033 58.397 59.018 -0.980 0.000 1.412 398 C CB -1.533 25.786 27.740 -0.701 0.000 2.534 398 C HN 1.058 nan 8.230 nan 0.000 0.621 399 A N 3.243 125.786 122.820 -0.462 0.000 2.032 399 A HA 0.137 4.457 4.320 -0.000 0.000 0.221 399 A C 2.238 179.753 177.584 -0.114 0.000 1.165 399 A CA 2.018 53.955 52.037 -0.167 0.000 0.645 399 A CB -0.406 18.493 19.000 -0.168 0.000 0.807 399 A HN 1.704 nan 8.150 nan 0.000 0.453 400 A N -2.589 120.123 122.820 -0.180 0.000 2.470 400 A HA 0.472 4.791 4.320 -0.000 0.000 0.251 400 A C 1.624 179.124 177.584 -0.140 0.000 1.245 400 A CA 0.965 52.935 52.037 -0.112 0.000 0.932 400 A CB -0.546 18.404 19.000 -0.083 0.000 1.037 400 A HN 1.847 nan 8.150 nan 0.000 0.522 401 G N -0.987 107.685 108.800 -0.212 0.000 2.162 401 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.260 401 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.260 401 G C 0.702 175.466 174.900 -0.226 0.000 0.976 401 G CA 0.221 45.196 45.100 -0.208 0.000 0.655 401 G HN 1.474 nan 8.290 nan 0.000 0.533 402 G N 0.344 109.004 108.800 -0.234 0.000 2.372 402 G HA2 0.554 4.514 3.960 -0.000 0.000 0.286 402 G HA3 0.554 4.514 3.960 -0.000 0.000 0.286 402 G C 0.549 175.302 174.900 -0.246 0.000 1.153 402 G CA -0.467 44.509 45.100 -0.208 0.000 0.985 402 G HN 0.616 nan 8.290 nan 0.000 0.429 403 L N 1.794 122.791 121.223 -0.375 0.000 2.467 403 L HA 0.430 4.770 4.340 -0.000 0.000 0.270 403 L C 1.491 178.151 176.870 -0.349 0.000 1.205 403 L CA 0.804 55.372 54.840 -0.453 0.000 0.828 403 L CB 0.901 42.451 42.059 -0.848 0.000 1.101 403 L HN 0.822 nan 8.230 nan 0.000 0.479 404 G N 1.391 110.144 108.800 -0.079 0.000 2.154 404 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.186 404 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.186 404 G C 0.112 175.080 174.900 0.114 0.000 1.000 404 G CA 0.240 45.402 45.100 0.104 0.000 0.664 404 G HN 0.641 nan 8.290 nan 0.000 0.513 405 F N 1.454 121.370 119.950 -0.057 0.000 2.222 405 F HA 0.538 5.065 4.527 -0.000 0.000 0.285 405 F C 2.539 178.326 175.800 -0.021 0.000 1.068 405 F CA 1.848 59.813 58.000 -0.057 0.000 1.265 405 F CB -0.574 38.356 39.000 -0.116 0.000 1.087 405 F HN 0.246 nan 8.300 nan 0.000 0.511 406 A N 1.532 124.277 122.820 -0.125 0.000 1.884 406 A HA -0.261 4.059 4.320 -0.000 0.000 0.219 406 A C 2.333 179.834 177.584 -0.139 0.000 1.197 406 A CA 2.313 54.236 52.037 -0.190 0.000 0.637 406 A CB -1.550 17.494 19.000 0.072 0.000 0.827 406 A HN 0.616 nan 8.150 nan 0.000 0.450 407 L N 0.104 121.343 121.223 0.026 0.000 1.970 407 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 407 L C -0.269 176.673 176.870 0.119 0.000 1.071 407 L CA 2.296 57.241 54.840 0.174 0.000 0.751 407 L CB -0.829 41.311 42.059 0.135 0.000 0.889 407 L HN 0.306 nan 8.230 nan 0.000 0.432 408 P HA -0.131 nan 4.420 nan 0.000 0.217 408 P C 1.263 178.468 177.300 -0.157 0.000 1.151 408 P CA 1.894 64.969 63.100 -0.041 0.000 0.828 408 P CB -0.056 31.615 31.700 -0.048 0.000 0.788 409 A N 0.893 123.476 122.820 -0.395 0.000 1.933 409 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 409 A C 2.518 179.881 177.584 -0.368 0.000 1.175 409 A CA 2.096 53.792 52.037 -0.568 0.000 0.628 409 A CB -1.557 16.607 19.000 -1.392 0.000 0.814 409 A HN 0.231 nan 8.150 nan 0.000 0.444 410 A N -0.103 122.557 122.820 -0.266 0.000 1.972 410 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 410 A C 2.070 179.574 177.584 -0.133 0.000 1.169 410 A CA 1.500 53.422 52.037 -0.192 0.000 0.635 410 A CB -0.570 18.317 19.000 -0.188 0.000 0.810 410 A HN 0.530 nan 8.150 nan 0.000 0.446 411 I N -0.638 119.908 120.570 -0.039 0.000 2.286 411 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 411 I C 2.684 178.811 176.117 0.016 0.000 1.104 411 I CA 0.999 62.318 61.300 0.032 0.000 1.397 411 I CB -0.626 37.447 38.000 0.121 0.000 1.072 411 I HN 0.387 nan 8.210 nan 0.000 0.417 412 G N 0.703 109.485 108.800 -0.030 0.000 2.404 412 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 412 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 412 G C 1.724 176.659 174.900 0.057 0.000 1.174 412 G CA 0.761 45.873 45.100 0.021 0.000 0.780 412 G HN 0.209 nan 8.290 nan 0.000 0.537 413 V N 0.658 120.516 119.914 -0.093 0.000 2.287 413 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 413 V C 2.790 178.862 176.094 -0.037 0.000 1.053 413 V CA 2.312 64.540 62.300 -0.119 0.000 1.027 413 V CB -0.503 31.194 31.823 -0.209 0.000 0.646 413 V HN 0.427 nan 8.190 nan 0.000 0.447 414 Q N -0.215 119.563 119.800 -0.038 0.000 2.170 414 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 414 Q C 1.909 177.931 176.000 0.036 0.000 0.976 414 Q CA 1.790 57.580 55.803 -0.022 0.000 0.858 414 Q CB -0.519 28.190 28.738 -0.049 0.000 0.907 414 Q HN 0.570 nan 8.270 nan 0.000 0.433 415 L N -0.444 120.838 121.223 0.097 0.000 2.156 415 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 415 L C 1.887 178.903 176.870 0.243 0.000 1.095 415 L CA 1.905 56.845 54.840 0.166 0.000 0.770 415 L CB -0.672 41.506 42.059 0.199 0.000 0.914 415 L HN 0.218 nan 8.230 nan 0.000 0.439 416 A N -1.602 121.340 122.820 0.203 0.000 1.975 416 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 416 A C 1.115 178.685 177.584 -0.024 0.000 1.170 416 A CA 0.651 52.688 52.037 -0.001 0.000 0.656 416 A CB -0.122 18.711 19.000 -0.277 0.000 0.821 416 A HN 0.390 nan 8.150 nan 0.000 0.449 417 E N 0.020 120.217 120.200 -0.005 0.000 3.167 417 E HA 0.158 4.508 4.350 -0.000 0.000 0.212 417 E C -2.111 174.486 176.600 -0.005 0.000 1.143 417 E CA -1.685 54.708 56.400 -0.012 0.000 1.002 417 E CB 0.824 30.514 29.700 -0.016 0.000 1.315 417 E HN 0.404 nan 8.360 nan 0.000 0.422 418 P HA -0.135 nan 4.420 nan 0.000 0.221 418 P C 0.635 177.931 177.300 -0.008 0.000 1.145 418 P CA 1.009 64.112 63.100 0.006 0.000 0.795 418 P CB 0.609 32.319 31.700 0.017 0.000 0.775 419 E N -0.392 119.801 120.200 -0.012 0.000 2.479 419 E HA 0.093 4.443 4.350 -0.000 0.000 0.193 419 E C 0.633 177.217 176.600 -0.027 0.000 1.049 419 E CA 0.195 56.585 56.400 -0.017 0.000 0.870 419 E CB 0.155 29.846 29.700 -0.014 0.000 0.944 419 E HN 0.420 nan 8.360 nan 0.000 0.492 420 R N 1.029 121.510 120.500 -0.033 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 -0.071 0.000 0.958 420 R CA -0.846 55.225 56.100 -0.049 0.000 0.861 420 R CB 1.395 31.669 30.300 -0.043 0.000 1.171 420 R HN -0.160 nan 8.270 nan 0.000 0.445 421 Q N 2.374 122.119 119.800 -0.091 0.000 2.271 421 Q HA 0.107 4.447 4.340 -0.000 0.000 0.273 421 Q C -0.899 174.999 176.000 -0.171 0.000 1.051 421 Q CA 0.192 55.924 55.803 -0.118 0.000 0.901 421 Q CB 0.883 29.552 28.738 -0.115 0.000 1.174 421 Q HN 0.392 nan 8.270 nan 0.000 0.385 422 V N 6.872 126.686 119.914 -0.166 0.000 2.439 422 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 422 V C 0.096 176.046 176.094 -0.241 0.000 1.039 422 V CA -0.423 61.759 62.300 -0.197 0.000 0.913 422 V CB 1.062 32.783 31.823 -0.169 0.000 0.983 422 V HN 0.721 nan 8.190 nan 0.000 0.460 423 I N 4.337 124.758 120.570 -0.248 0.000 2.439 423 I HA 0.595 4.765 4.170 -0.000 0.000 0.283 423 I C 0.121 176.210 176.117 -0.047 0.000 1.023 423 I CA -0.514 60.684 61.300 -0.171 0.000 1.100 423 I CB 1.740 39.650 38.000 -0.150 0.000 1.238 423 I HN 0.636 nan 8.210 nan 0.000 0.445 424 A N 6.698 129.467 122.820 -0.085 0.000 2.249 424 A HA 0.670 4.989 4.320 -0.000 0.000 0.314 424 A C -0.366 177.289 177.584 0.119 0.000 1.290 424 A CA -0.439 51.613 52.037 0.025 0.000 0.893 424 A CB 0.745 19.730 19.000 -0.024 0.000 1.165 424 A HN 0.461 nan 8.150 nan 0.000 0.530 425 V N 5.145 125.172 119.914 0.188 0.000 2.334 425 V HA 0.316 4.436 4.120 -0.000 0.000 0.267 425 V C -0.146 176.061 176.094 0.188 0.000 1.040 425 V CA 0.170 62.589 62.300 0.199 0.000 0.866 425 V CB 0.026 32.033 31.823 0.306 0.000 1.019 425 V HN 0.702 nan 8.190 nan 0.000 0.468 426 I N 3.658 124.312 120.570 0.141 0.000 2.465 426 I HA 0.577 4.747 4.170 -0.000 0.000 0.291 426 I C 0.991 177.151 176.117 0.072 0.000 1.014 426 I CA -0.554 60.825 61.300 0.131 0.000 1.093 426 I CB 1.942 40.025 38.000 0.139 0.000 1.267 426 I HN 0.634 nan 8.210 nan 0.000 0.431 427 G N 2.878 111.746 108.800 0.114 0.000 2.594 427 G HA2 0.036 3.996 3.960 -0.000 0.000 0.243 427 G HA3 0.036 3.996 3.960 -0.000 0.000 0.243 427 G C 0.858 175.783 174.900 0.041 0.000 1.229 427 G CA -0.277 44.879 45.100 0.095 0.000 0.843 427 G HN 0.851 nan 8.290 nan 0.000 0.578 428 D N 0.694 121.086 120.400 -0.012 0.000 2.218 428 D HA -0.111 4.528 4.640 -0.000 0.000 0.204 428 D C 2.037 178.514 176.300 0.296 0.000 0.976 428 D CA 1.350 55.322 54.000 -0.046 0.000 0.853 428 D CB -0.611 40.232 40.800 0.072 0.000 0.939 428 D HN 0.459 nan 8.370 nan 0.000 0.481 429 G N 0.348 109.344 108.800 0.328 0.000 2.395 429 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 429 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 429 G C 1.861 177.090 174.900 0.547 0.000 1.177 429 G CA 0.749 46.150 45.100 0.501 0.000 0.794 429 G HN 0.323 nan 8.290 nan 0.000 0.532 430 S N 1.188 117.169 115.700 0.469 0.000 2.383 430 S HA -0.062 4.408 4.470 -0.000 0.000 0.229 430 S C 2.736 177.602 174.600 0.443 0.000 1.030 430 S CA 1.158 59.638 58.200 0.466 0.000 1.002 430 S CB -0.368 62.980 63.200 0.246 0.000 0.829 430 S HN 0.574 nan 8.310 nan 0.000 0.467 431 A N 2.517 125.523 122.820 0.309 0.000 2.032 431 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 431 A C 1.887 179.651 177.584 0.299 0.000 1.165 431 A CA 1.487 53.683 52.037 0.266 0.000 0.645 431 A CB -0.549 18.567 19.000 0.193 0.000 0.807 431 A HN 0.515 nan 8.150 nan 0.000 0.453 432 N N -1.187 117.691 118.700 0.298 0.000 2.216 432 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 432 N C 1.517 177.072 175.510 0.075 0.000 1.017 432 N CA 1.510 54.646 53.050 0.144 0.000 0.861 432 N CB -0.529 37.976 38.487 0.030 0.000 0.986 432 N HN 0.637 nan 8.380 nan 0.000 0.428 433 Y N 1.560 121.939 120.300 0.132 0.000 2.096 433 Y HA -0.142 4.408 4.550 -0.000 0.000 0.278 433 Y C 1.655 177.600 175.900 0.074 0.000 1.192 433 Y CA 1.202 59.360 58.100 0.097 0.000 1.143 433 Y CB -0.264 38.248 38.460 0.087 0.000 0.963 433 Y HN -0.045 nan 8.280 nan 0.000 0.505 434 S N -0.847 114.989 115.700 0.227 0.000 2.751 434 S HA 0.142 4.612 4.470 -0.000 0.000 0.247 434 S C 1.180 175.826 174.600 0.076 0.000 1.103 434 S CA -0.341 57.934 58.200 0.125 0.000 1.090 434 S CB -0.077 63.186 63.200 0.105 0.000 0.928 434 S HN 0.237 nan 8.310 nan 0.000 0.502 435 I N 2.991 123.619 120.570 0.096 0.000 2.248 435 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 435 I C 2.352 178.471 176.117 0.004 0.000 1.107 435 I CA 1.891 63.247 61.300 0.093 0.000 1.373 435 I CB -0.333 37.761 38.000 0.157 0.000 1.055 435 I HN 0.473 nan 8.210 nan 0.000 0.418 436 S N 0.596 116.254 115.700 -0.070 0.000 2.469 436 S HA -0.076 4.393 4.470 -0.000 0.000 0.238 436 S C 2.186 176.550 174.600 -0.393 0.000 0.998 436 S CA 0.686 58.621 58.200 -0.441 0.000 0.957 436 S CB -0.992 62.047 63.200 -0.267 0.000 0.764 436 S HN 0.521 nan 8.310 nan 0.000 0.514 437 A N 2.256 124.985 122.820 -0.151 0.000 1.978 437 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 437 A C 2.190 179.741 177.584 -0.055 0.000 1.170 437 A CA 1.370 53.375 52.037 -0.053 0.000 0.636 437 A CB -0.892 18.105 19.000 -0.004 0.000 0.810 437 A HN 0.574 nan 8.150 nan 0.000 0.448 438 L N -2.574 118.553 121.223 -0.159 0.000 2.051 438 L HA -0.281 4.059 4.340 -0.000 0.000 0.214 438 L C 2.462 179.334 176.870 0.003 0.000 1.076 438 L CA 1.982 56.734 54.840 -0.146 0.000 0.758 438 L CB -0.572 41.418 42.059 -0.115 0.000 0.890 438 L HN 0.760 nan 8.230 nan 0.000 0.433 439 W N 0.976 122.112 121.300 -0.272 0.000 2.318 439 W HA -0.269 4.391 4.660 -0.000 0.000 0.313 439 W C 2.609 179.115 176.519 -0.021 0.000 1.221 439 W CA 2.403 59.670 57.345 -0.131 0.000 1.266 439 W CB -0.452 28.844 29.460 -0.273 0.000 1.150 439 W HN 0.003 nan 8.180 nan 0.000 0.496 440 T N 0.361 115.021 114.554 0.177 0.000 2.788 440 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 440 T C 1.921 176.684 174.700 0.105 0.000 1.044 440 T CA 1.957 64.158 62.100 0.168 0.000 1.139 440 T CB -0.910 68.135 68.868 0.294 0.000 0.867 440 T HN 0.273 nan 8.240 nan 0.000 0.454 441 A N 1.397 124.276 122.820 0.098 0.000 1.902 441 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 441 A C 2.634 180.231 177.584 0.022 0.000 1.181 441 A CA 1.845 53.958 52.037 0.127 0.000 0.623 441 A CB -1.091 18.058 19.000 0.249 0.000 0.818 441 A HN 0.510 nan 8.150 nan 0.000 0.443 442 A N -1.220 121.551 122.820 -0.081 0.000 1.855 442 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 442 A C 2.145 179.541 177.584 -0.313 0.000 1.191 442 A CA 1.636 53.577 52.037 -0.159 0.000 0.613 442 A CB -0.557 18.342 19.000 -0.169 0.000 0.829 442 A HN 0.464 nan 8.150 nan 0.000 0.442 443 Q N -1.040 118.391 119.800 -0.615 0.000 2.061 443 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 443 Q C 1.222 176.804 176.000 -0.696 0.000 0.984 443 Q CA 1.714 57.004 55.803 -0.855 0.000 0.846 443 Q CB -0.420 27.423 28.738 -1.491 0.000 0.902 443 Q HN 0.867 nan 8.270 nan 0.000 0.421 444 Y N -0.026 120.150 120.300 -0.207 0.000 2.493 444 Y HA 0.132 4.682 4.550 -0.000 0.000 0.275 444 Y C 0.337 176.194 175.900 -0.072 0.000 1.183 444 Y CA -0.420 57.613 58.100 -0.112 0.000 1.258 444 Y CB -0.345 38.067 38.460 -0.081 0.000 1.108 444 Y HN 0.161 nan 8.280 nan 0.000 0.521 445 N N 1.441 120.137 118.700 -0.007 0.000 2.686 445 N HA -0.230 4.510 4.740 -0.000 0.000 0.261 445 N C -1.120 174.418 175.510 0.047 0.000 1.001 445 N CA 0.291 53.346 53.050 0.008 0.000 0.764 445 N CB -1.089 37.394 38.487 -0.007 0.000 0.898 445 N HN 0.403 nan 8.380 nan 0.000 0.544 446 I N 1.524 122.138 120.570 0.072 0.000 2.291 446 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 446 I C -1.286 174.862 176.117 0.052 0.000 1.050 446 I CA -2.029 59.312 61.300 0.068 0.000 1.245 446 I CB 1.190 39.245 38.000 0.092 0.000 1.405 446 I HN 0.132 nan 8.210 nan 0.000 0.478 447 P HA -0.062 nan 4.420 nan 0.000 0.311 447 P C 0.120 177.387 177.300 -0.055 0.000 1.543 447 P CA 0.200 63.300 63.100 -0.001 0.000 0.766 447 P CB -0.702 30.992 31.700 -0.009 0.000 1.711 448 T N 1.291 115.790 114.554 -0.092 0.000 2.919 448 T HA 0.252 4.602 4.350 -0.000 0.000 0.302 448 T C 0.754 175.201 174.700 -0.422 0.000 1.031 448 T CA 0.232 62.140 62.100 -0.320 0.000 1.127 448 T CB 0.690 69.249 68.868 -0.515 0.000 0.952 448 T HN 0.067 nan 8.240 nan 0.000 0.540 449 I N 3.246 123.539 120.570 -0.462 0.000 2.339 449 I HA 0.354 4.523 4.170 -0.000 0.000 0.290 449 I C -0.876 174.996 176.117 -0.407 0.000 0.994 449 I CA -0.654 60.476 61.300 -0.284 0.000 1.191 449 I CB 0.927 38.850 38.000 -0.127 0.000 1.343 449 I HN 0.511 nan 8.210 nan 0.000 0.458 450 F N 5.947 125.912 119.950 0.026 0.000 2.361 450 F HA 0.381 4.908 4.527 -0.000 0.000 0.364 450 F C 0.076 175.887 175.800 0.019 0.000 1.117 450 F CA -0.885 57.132 58.000 0.028 0.000 1.071 450 F CB 1.289 40.311 39.000 0.037 0.000 1.188 450 F HN 0.012 nan 8.300 nan 0.000 0.464 451 V N 5.640 125.644 119.914 0.150 0.000 2.304 451 V HA 0.256 4.376 4.120 -0.000 0.000 0.269 451 V C 0.100 176.217 176.094 0.038 0.000 1.036 451 V CA -0.562 61.786 62.300 0.079 0.000 0.840 451 V CB 0.514 32.371 31.823 0.057 0.000 1.036 451 V HN 0.425 nan 8.190 nan 0.000 0.466 452 I N 6.031 126.583 120.570 -0.030 0.000 2.337 452 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 452 I C 0.332 176.352 176.117 -0.162 0.000 1.046 452 I CA -0.250 60.946 61.300 -0.172 0.000 1.324 452 I CB 1.117 38.846 38.000 -0.452 0.000 1.409 452 I HN 0.440 nan 8.210 nan 0.000 0.494 453 M N 5.869 125.403 119.600 -0.110 0.000 2.264 453 M HA 0.130 4.610 4.480 -0.000 0.000 0.340 453 M C 0.199 176.451 176.300 -0.080 0.000 1.420 453 M CA -0.010 55.245 55.300 -0.076 0.000 1.254 453 M CB -0.585 32.000 32.600 -0.025 0.000 1.575 453 M HN 0.358 nan 8.290 nan 0.000 0.452 454 N N 3.821 122.475 118.700 -0.076 0.000 2.527 454 N HA 0.155 4.895 4.740 -0.000 0.000 0.236 454 N C -0.075 175.450 175.510 0.025 0.000 0.999 454 N CA -0.088 52.950 53.050 -0.021 0.000 0.935 454 N CB 0.458 38.957 38.487 0.021 0.000 1.132 454 N HN 0.491 nan 8.380 nan 0.000 0.511 455 N N 2.062 120.790 118.700 0.046 0.000 2.200 455 N HA 0.162 4.902 4.740 -0.000 0.000 0.224 455 N C 0.897 176.442 175.510 0.059 0.000 1.179 455 N CA 0.071 53.149 53.050 0.047 0.000 0.877 455 N CB 0.048 38.565 38.487 0.050 0.000 1.072 455 N HN 0.453 nan 8.380 nan 0.000 0.519 456 G N -0.944 107.900 108.800 0.074 0.000 2.233 456 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.270 456 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.270 456 G C -0.014 174.896 174.900 0.017 0.000 1.011 456 G CA 1.029 46.163 45.100 0.056 0.000 0.762 456 G HN 0.806 nan 8.290 nan 0.000 0.511 457 T N -1.970 112.605 114.554 0.035 0.000 2.840 457 T HA 0.496 4.846 4.350 -0.000 0.000 0.317 457 T C -0.566 174.211 174.700 0.128 0.000 1.401 457 T CA -0.624 61.488 62.100 0.019 0.000 1.028 457 T CB 0.882 69.793 68.868 0.072 0.000 1.317 457 T HN 0.250 nan 8.240 nan 0.000 0.495 458 Y N 2.643 123.028 120.300 0.142 0.000 2.623 458 Y HA 0.232 4.782 4.550 -0.000 0.000 0.341 458 Y C 1.894 177.897 175.900 0.171 0.000 1.292 458 Y CA -0.530 57.669 58.100 0.165 0.000 1.840 458 Y CB 0.000 38.562 38.460 0.171 0.000 1.865 458 Y HN 0.961 nan 8.280 nan 0.000 0.440 459 G N 1.546 110.528 108.800 0.303 0.000 2.599 459 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.219 459 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.219 459 G C 1.845 176.910 174.900 0.276 0.000 1.193 459 G CA 1.178 46.425 45.100 0.246 0.000 0.778 459 G HN 0.651 nan 8.290 nan 0.000 0.589 460 A N 0.314 123.286 122.820 0.254 0.000 1.958 460 A HA -0.034 4.286 4.320 -0.000 0.000 0.221 460 A C 2.489 180.276 177.584 0.339 0.000 1.178 460 A CA 1.723 53.917 52.037 0.261 0.000 0.642 460 A CB -0.405 18.719 19.000 0.208 0.000 0.816 460 A HN 0.412 nan 8.150 nan 0.000 0.453 461 L N -1.739 119.673 121.223 0.315 0.000 2.156 461 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 461 L C 2.832 179.896 176.870 0.323 0.000 1.095 461 L CA 1.099 56.135 54.840 0.326 0.000 0.770 461 L CB -0.489 41.738 42.059 0.280 0.000 0.914 461 L HN 0.372 nan 8.230 nan 0.000 0.439 462 R N -0.699 119.988 120.500 0.312 0.000 2.092 462 R HA -0.191 4.149 4.340 -0.000 0.000 0.231 462 R C 2.139 178.621 176.300 0.304 0.000 1.119 462 R CA 1.505 57.762 56.100 0.261 0.000 0.970 462 R CB -0.347 30.099 30.300 0.243 0.000 0.864 462 R HN 0.510 nan 8.270 nan 0.000 0.440 463 W N 0.892 122.288 121.300 0.159 0.000 2.322 463 W HA -0.300 4.360 4.660 -0.000 0.000 0.326 463 W C 1.833 178.471 176.519 0.198 0.000 1.224 463 W CA 1.319 58.755 57.345 0.153 0.000 1.257 463 W CB -0.782 28.767 29.460 0.148 0.000 1.174 463 W HN 0.037 nan 8.180 nan 0.000 0.460 464 F N 1.647 121.682 119.950 0.141 0.000 2.111 464 F HA -0.366 4.161 4.527 -0.000 0.000 0.300 464 F C 2.489 178.251 175.800 -0.063 0.000 1.088 464 F CA 2.443 60.434 58.000 -0.015 0.000 1.243 464 F CB -0.566 38.486 39.000 0.087 0.000 0.996 464 F HN -0.006 nan 8.300 nan 0.000 0.483 465 A N 0.376 123.178 122.820 -0.030 0.000 1.927 465 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 465 A C 2.387 179.852 177.584 -0.197 0.000 1.185 465 A CA 2.006 53.955 52.037 -0.146 0.000 0.639 465 A CB -1.844 17.152 19.000 -0.006 0.000 0.820 465 A HN 0.542 nan 8.150 nan 0.000 0.451 466 G N -0.381 108.311 108.800 -0.180 0.000 2.418 466 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 466 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 466 G C 1.673 176.391 174.900 -0.304 0.000 1.158 466 G CA 2.150 47.105 45.100 -0.242 0.000 0.771 466 G HN 1.102 nan 8.290 nan 0.000 0.545 467 V N 0.249 119.942 119.914 -0.369 0.000 2.237 467 V HA -0.089 4.030 4.120 -0.000 0.000 0.245 467 V C 2.676 178.624 176.094 -0.243 0.000 1.046 467 V CA 1.871 64.004 62.300 -0.279 0.000 1.007 467 V CB -0.857 30.880 31.823 -0.143 0.000 0.638 467 V HN 0.300 nan 8.190 nan 0.000 0.445 468 L N 0.198 121.200 121.223 -0.368 0.000 2.549 468 L HA -0.013 4.327 4.340 -0.000 0.000 0.230 468 L C 1.729 178.472 176.870 -0.212 0.000 1.162 468 L CA 1.448 56.090 54.840 -0.331 0.000 0.834 468 L CB -1.394 40.360 42.059 -0.508 0.000 0.947 468 L HN 0.533 nan 8.230 nan 0.000 0.452 469 E N -0.775 119.309 120.200 -0.193 0.000 2.735 469 E HA -0.258 4.092 4.350 -0.000 0.000 0.261 469 E C 0.593 177.124 176.600 -0.115 0.000 1.137 469 E CA 0.293 56.613 56.400 -0.133 0.000 0.754 469 E CB -0.885 28.754 29.700 -0.101 0.000 1.352 469 E HN 0.612 nan 8.360 nan 0.000 0.430 470 A N 1.359 124.090 122.820 -0.149 0.000 2.492 470 A HA 0.195 4.515 4.320 -0.000 0.000 0.254 470 A C 0.359 177.899 177.584 -0.074 0.000 1.091 470 A CA 0.437 52.403 52.037 -0.118 0.000 0.768 470 A CB 0.298 19.202 19.000 -0.159 0.000 1.028 470 A HN 0.214 nan 8.150 nan 0.000 0.498 471 E N 1.847 122.018 120.200 -0.048 0.000 2.277 471 E HA 0.408 4.758 4.350 -0.000 0.000 0.266 471 E C -0.570 176.023 176.600 -0.013 0.000 0.901 471 E CA -1.220 55.164 56.400 -0.026 0.000 0.782 471 E CB 1.067 30.753 29.700 -0.023 0.000 1.228 471 E HN 0.681 nan 8.360 nan 0.000 0.424 472 N N -0.294 118.406 118.700 0.000 0.000 2.815 472 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 472 N C -0.984 174.535 175.510 0.015 0.000 1.110 472 N CA 0.350 53.405 53.050 0.008 0.000 0.699 472 N CB -1.306 37.184 38.487 0.003 0.000 1.040 472 N HN 0.166 nan 8.380 nan 0.000 0.555 473 V N 2.231 122.158 119.914 0.022 0.000 2.432 473 V HA 0.309 4.429 4.120 -0.000 0.000 0.271 473 V C -0.828 175.300 176.094 0.055 0.000 1.046 473 V CA -0.827 61.495 62.300 0.037 0.000 0.945 473 V CB 1.235 33.083 31.823 0.043 0.000 0.992 473 V HN 0.129 nan 8.190 nan 0.000 0.471 474 P HA 0.296 nan 4.420 nan 0.000 0.277 474 P C 0.648 178.005 177.300 0.094 0.000 1.271 474 P CA 0.233 63.371 63.100 0.063 0.000 0.795 474 P CB 0.786 32.516 31.700 0.050 0.000 1.101 475 G N 0.019 108.872 108.800 0.088 0.000 2.341 475 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.292 475 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.292 475 G C 0.533 175.549 174.900 0.193 0.000 1.021 475 G CA 0.481 45.654 45.100 0.121 0.000 0.905 475 G HN 0.483 nan 8.290 nan 0.000 0.508 476 L N -1.092 120.220 121.223 0.149 0.000 2.554 476 L HA 0.251 4.591 4.340 -0.000 0.000 0.225 476 L C 0.368 177.255 176.870 0.028 0.000 1.104 476 L CA 0.083 55.050 54.840 0.212 0.000 0.866 476 L CB 0.087 42.259 42.059 0.188 0.000 1.047 476 L HN 0.135 nan 8.230 nan 0.000 0.468 477 D N 0.502 120.865 120.400 -0.061 0.000 2.248 477 D HA 0.324 4.964 4.640 -0.000 0.000 0.246 477 D C -0.026 176.142 176.300 -0.221 0.000 1.027 477 D CA -0.076 53.849 54.000 -0.125 0.000 0.853 477 D CB 3.039 43.816 40.800 -0.038 0.000 1.243 477 D HN -0.195 nan 8.370 nan 0.000 0.462 478 V N -0.694 119.077 119.914 -0.239 0.000 2.454 478 V HA 0.352 4.472 4.120 -0.000 0.000 0.255 478 V C -2.501 173.545 176.094 -0.080 0.000 1.009 478 V CA -1.366 60.813 62.300 -0.203 0.000 1.149 478 V CB 0.447 32.090 31.823 -0.300 0.000 1.418 478 V HN 0.315 nan 8.190 nan 0.000 0.567 479 P HA 0.429 nan 4.420 nan 0.000 0.276 479 P C 0.823 178.099 177.300 -0.039 0.000 1.261 479 P CA 0.951 64.035 63.100 -0.026 0.000 0.800 479 P CB 1.307 32.995 31.700 -0.020 0.000 1.066 480 G N -0.032 108.747 108.800 -0.035 0.000 2.198 480 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.257 480 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.257 480 G C -0.173 174.660 174.900 -0.112 0.000 1.042 480 G CA -0.124 44.941 45.100 -0.059 0.000 0.791 480 G HN 0.486 nan 8.290 nan 0.000 0.502 481 I N 0.462 120.941 120.570 -0.152 0.000 2.389 481 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 481 I C -0.728 175.125 176.117 -0.441 0.000 0.999 481 I CA -0.823 60.258 61.300 -0.366 0.000 1.129 481 I CB 1.820 39.490 38.000 -0.550 0.000 1.288 481 I HN 0.023 nan 8.210 nan 0.000 0.444 482 D N 6.442 126.613 120.400 -0.383 0.000 2.456 482 D HA 0.206 4.846 4.640 -0.000 0.000 0.219 482 D C 0.605 176.739 176.300 -0.278 0.000 1.126 482 D CA -0.285 53.582 54.000 -0.223 0.000 0.890 482 D CB 0.571 41.299 40.800 -0.119 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.511 483 F N 1.989 121.945 119.950 0.011 0.000 2.293 483 F HA 0.001 4.528 4.527 -0.000 0.000 0.300 483 F C 2.372 178.181 175.800 0.014 0.000 1.086 483 F CA 0.533 58.543 58.000 0.017 0.000 1.375 483 F CB 0.012 39.031 39.000 0.031 0.000 1.045 483 F HN 0.231 nan 8.300 nan 0.000 0.516 484 R N 0.177 120.770 120.500 0.155 0.000 2.092 484 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 484 R C 2.477 178.802 176.300 0.041 0.000 1.119 484 R CA 1.132 57.290 56.100 0.096 0.000 0.970 484 R CB -0.676 29.669 30.300 0.074 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.960 123.780 122.820 -0.000 0.000 1.898 485 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 485 A C 2.117 179.667 177.584 -0.057 0.000 1.181 485 A CA 1.105 53.119 52.037 -0.039 0.000 0.620 485 A CB -0.516 18.443 19.000 -0.068 0.000 0.819 485 A HN 0.179 nan 8.150 nan 0.000 0.442 486 L N -0.795 120.395 121.223 -0.056 0.000 2.046 486 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 486 L C 3.120 179.999 176.870 0.014 0.000 1.077 486 L CA 1.080 55.890 54.840 -0.050 0.000 0.747 486 L CB -0.601 41.450 42.059 -0.013 0.000 0.896 486 L HN 0.450 nan 8.230 nan 0.000 0.432 487 A N 0.159 123.017 122.820 0.064 0.000 1.902 487 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 487 A C 2.409 180.030 177.584 0.061 0.000 1.181 487 A CA 2.040 54.127 52.037 0.083 0.000 0.623 487 A CB -0.482 18.569 19.000 0.085 0.000 0.818 487 A HN 0.344 nan 8.150 nan 0.000 0.443 488 K N -0.560 119.853 120.400 0.022 0.000 2.057 488 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 488 K C 2.018 178.602 176.600 -0.027 0.000 1.049 488 K CA 1.406 57.696 56.287 0.006 0.000 0.931 488 K CB -0.582 31.913 32.500 -0.009 0.000 0.714 488 K HN 0.383 nan 8.250 nan 0.000 0.440 489 G N -0.198 108.538 108.800 -0.108 0.000 2.469 489 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 0.846 175.577 174.900 -0.282 0.000 1.136 489 G CA 0.916 45.859 45.100 -0.261 0.000 0.759 489 G HN 0.446 nan 8.290 nan 0.000 0.562 490 Y N 0.041 120.397 120.300 0.094 0.000 2.607 490 Y HA 0.375 4.925 4.550 -0.000 0.000 0.266 490 Y C 1.752 177.730 175.900 0.129 0.000 1.178 490 Y CA -0.219 57.994 58.100 0.189 0.000 1.226 490 Y CB 0.664 39.239 38.460 0.192 0.000 1.144 490 Y HN 0.263 nan 8.280 nan 0.000 0.528 491 G N 0.900 109.802 108.800 0.169 0.000 2.198 491 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 491 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 491 G C -0.493 174.445 174.900 0.063 0.000 1.042 491 G CA 0.196 45.349 45.100 0.088 0.000 0.791 491 G HN 0.150 nan 8.290 nan 0.000 0.502 492 V N 0.507 120.471 119.914 0.083 0.000 2.459 492 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 492 V C 0.825 176.963 176.094 0.074 0.000 1.029 492 V CA -0.750 61.596 62.300 0.078 0.000 0.874 492 V CB 1.886 33.760 31.823 0.085 0.000 0.985 492 V HN 0.517 nan 8.190 nan 0.000 0.438 493 Q N 2.582 122.425 119.800 0.070 0.000 2.283 493 Q HA 0.375 4.714 4.340 -0.000 0.000 0.301 493 Q C -0.173 175.874 176.000 0.078 0.000 1.063 493 Q CA 0.157 55.997 55.803 0.063 0.000 0.952 493 Q CB 0.777 29.549 28.738 0.056 0.000 1.166 493 Q HN 0.939 nan 8.270 nan 0.000 0.381 494 A N 4.959 127.819 122.820 0.067 0.000 2.374 494 A HA 0.795 5.115 4.320 -0.000 0.000 0.317 494 A C -1.296 176.327 177.584 0.064 0.000 1.094 494 A CA -0.703 51.380 52.037 0.076 0.000 0.765 494 A CB 1.132 20.178 19.000 0.077 0.000 1.268 494 A HN 0.743 nan 8.150 nan 0.000 0.438 495 L N 0.513 121.778 121.223 0.069 0.000 2.376 495 L HA 0.680 5.020 4.340 -0.000 0.000 0.258 495 L C -0.522 176.382 176.870 0.056 0.000 1.013 495 L CA -1.040 53.833 54.840 0.055 0.000 0.822 495 L CB 2.518 44.606 42.059 0.048 0.000 1.388 495 L HN 0.720 nan 8.230 nan 0.000 0.413 496 K N 1.182 121.609 120.400 0.045 0.000 2.316 496 K HA 0.832 5.152 4.320 -0.000 0.000 0.251 496 K C -1.361 175.257 176.600 0.029 0.000 0.934 496 K CA -0.298 56.014 56.287 0.043 0.000 0.802 496 K CB 2.194 34.719 32.500 0.042 0.000 1.171 496 K HN 0.633 nan 8.250 nan 0.000 0.426 497 A N 3.646 126.480 122.820 0.023 0.000 2.522 497 A HA 0.338 4.657 4.320 -0.000 0.000 0.285 497 A C -0.810 176.777 177.584 0.004 0.000 1.198 497 A CA -0.614 51.429 52.037 0.011 0.000 0.742 497 A CB 0.506 19.509 19.000 0.004 0.000 1.176 497 A HN 0.837 nan 8.150 nan 0.000 0.444 498 D N 1.038 121.441 120.400 0.005 0.000 2.360 498 D HA 0.058 4.698 4.640 -0.000 0.000 0.210 498 D C 0.073 176.368 176.300 -0.008 0.000 1.047 498 D CA 0.884 54.884 54.000 -0.000 0.000 0.854 498 D CB 0.432 41.235 40.800 0.005 0.000 0.936 498 D HN 0.789 nan 8.370 nan 0.000 0.514 499 N N -1.143 117.554 118.700 -0.006 0.000 3.020 499 N HA 0.061 4.801 4.740 -0.000 0.000 0.248 499 N C 0.274 175.782 175.510 -0.003 0.000 1.480 499 N CA -0.740 52.307 53.050 -0.006 0.000 0.874 499 N CB 1.086 39.573 38.487 -0.000 0.000 1.433 499 N HN -0.247 nan 8.380 nan 0.000 0.530 500 L N 0.019 121.242 121.223 0.001 0.000 2.013 500 L HA -0.035 4.305 4.340 -0.000 0.000 0.212 500 L C 1.684 178.559 176.870 0.007 0.000 1.073 500 L CA 2.050 56.893 54.840 0.005 0.000 0.753 500 L CB -0.902 41.165 42.059 0.013 0.000 0.890 500 L HN 0.657 nan 8.230 nan 0.000 0.432 501 E N -0.380 119.825 120.200 0.009 0.000 2.077 501 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 501 E C 2.207 178.812 176.600 0.009 0.000 0.989 501 E CA 1.378 57.784 56.400 0.010 0.000 0.800 501 E CB -0.266 29.440 29.700 0.010 0.000 0.746 501 E HN 0.686 nan 8.360 nan 0.000 0.452 502 Q N 0.033 119.838 119.800 0.008 0.000 2.119 502 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 502 Q C 2.264 178.269 176.000 0.009 0.000 0.972 502 Q CA 0.703 56.512 55.803 0.010 0.000 0.847 502 Q CB -0.144 28.600 28.738 0.009 0.000 0.903 502 Q HN 0.122 nan 8.270 nan 0.000 0.433 503 L N 1.425 122.651 121.223 0.005 0.000 1.989 503 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 503 L C 1.867 178.743 176.870 0.009 0.000 1.071 503 L CA 1.939 56.781 54.840 0.003 0.000 0.749 503 L CB -0.346 41.709 42.059 -0.007 0.000 0.890 503 L HN -0.002 nan 8.230 nan 0.000 0.431 504 K N -0.665 119.741 120.400 0.010 0.000 2.044 504 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 504 K C 1.999 178.608 176.600 0.014 0.000 1.049 504 K CA 1.418 57.713 56.287 0.014 0.000 0.927 504 K CB -0.869 31.639 32.500 0.014 0.000 0.713 504 K HN 0.588 nan 8.250 nan 0.000 0.443 505 G N 0.691 109.499 108.800 0.013 0.000 2.418 505 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 505 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 505 G C 1.548 176.458 174.900 0.016 0.000 1.158 505 G CA 0.991 46.099 45.100 0.014 0.000 0.771 505 G HN 0.198 nan 8.290 nan 0.000 0.545 506 S N 0.517 116.228 115.700 0.017 0.000 2.348 506 S HA -0.027 4.443 4.470 -0.000 0.000 0.221 506 S C 2.309 176.922 174.600 0.022 0.000 1.033 506 S CA 0.897 59.110 58.200 0.022 0.000 1.010 506 S CB -0.353 62.861 63.200 0.024 0.000 0.891 506 S HN 0.292 nan 8.310 nan 0.000 0.442 507 L N 1.323 122.559 121.223 0.020 0.000 2.012 507 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 507 L C 2.904 179.783 176.870 0.016 0.000 1.073 507 L CA 1.679 56.532 54.840 0.020 0.000 0.748 507 L CB -0.543 41.530 42.059 0.023 0.000 0.891 507 L HN 0.417 nan 8.230 nan 0.000 0.431 508 Q N -0.019 119.790 119.800 0.015 0.000 2.096 508 Q HA -0.294 4.046 4.340 -0.000 0.000 0.204 508 Q C 2.131 178.138 176.000 0.011 0.000 0.982 508 Q CA 2.081 57.891 55.803 0.012 0.000 0.850 508 Q CB -0.031 28.714 28.738 0.012 0.000 0.901 508 Q HN 0.469 nan 8.270 nan 0.000 0.422 509 E N -0.711 119.498 120.200 0.014 0.000 2.072 509 E HA -0.185 4.164 4.350 -0.000 0.000 0.191 509 E C 1.837 178.446 176.600 0.015 0.000 0.985 509 E CA 0.871 57.280 56.400 0.015 0.000 0.801 509 E CB -0.134 29.577 29.700 0.018 0.000 0.750 509 E HN 0.476 nan 8.360 nan 0.000 0.452 510 A N 1.041 123.872 122.820 0.018 0.000 1.858 510 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 510 A C 2.076 179.662 177.584 0.004 0.000 1.190 510 A CA 1.081 53.129 52.037 0.018 0.000 0.617 510 A CB -0.674 18.340 19.000 0.023 0.000 0.827 510 A HN 0.282 nan 8.150 nan 0.000 0.443 511 L N 0.847 122.070 121.223 -0.000 0.000 2.013 511 L HA -0.190 4.149 4.340 -0.000 0.000 0.212 511 L C 2.888 179.753 176.870 -0.008 0.000 1.073 511 L CA 2.627 57.461 54.840 -0.010 0.000 0.753 511 L CB -1.088 40.967 42.059 -0.007 0.000 0.890 511 L HN 0.625 nan 8.230 nan 0.000 0.432 512 S N -1.552 114.148 115.700 -0.001 0.000 2.527 512 S HA 0.248 4.718 4.470 -0.000 0.000 0.222 512 S C 1.100 175.701 174.600 0.002 0.000 0.985 512 S CA 0.083 58.283 58.200 -0.001 0.000 0.921 512 S CB -0.448 62.753 63.200 0.002 0.000 0.772 512 S HN 0.300 nan 8.310 nan 0.000 0.529 513 A N 2.031 124.854 122.820 0.005 0.000 2.483 513 A HA 0.386 4.706 4.320 -0.000 0.000 0.238 513 A C 1.137 178.725 177.584 0.006 0.000 1.070 513 A CA -0.390 51.653 52.037 0.009 0.000 0.770 513 A CB 0.327 19.338 19.000 0.018 0.000 1.008 513 A HN 0.248 nan 8.150 nan 0.000 0.497 514 K N 1.296 121.700 120.400 0.007 0.000 2.426 514 K HA 0.106 4.426 4.320 -0.000 0.000 0.193 514 K C 0.924 177.529 176.600 0.008 0.000 1.028 514 K CA 0.945 57.235 56.287 0.005 0.000 1.047 514 K CB 0.191 32.693 32.500 0.003 0.000 0.821 514 K HN 0.758 nan 8.250 nan 0.000 0.513 515 G N 1.991 110.801 108.800 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 -2.911 172.016 174.900 0.045 0.000 1.370 515 G CA -1.287 43.828 45.100 0.025 0.000 1.014 515 G HN -0.203 nan 8.290 nan 0.000 0.541 516 P HA 0.376 nan 4.420 nan 0.000 0.271 516 P C -0.863 176.533 177.300 0.160 0.000 1.218 516 P CA -0.123 63.065 63.100 0.146 0.000 0.780 516 P CB 1.711 33.562 31.700 0.252 0.000 0.901 517 V N 3.506 123.538 119.914 0.197 0.000 2.808 517 V HA 0.371 4.491 4.120 -0.000 0.000 0.308 517 V C -0.092 176.165 176.094 0.273 0.000 1.099 517 V CA -0.758 61.648 62.300 0.177 0.000 0.920 517 V CB 2.193 34.074 31.823 0.096 0.000 1.014 517 V HN 0.477 nan 8.190 nan 0.000 0.425 518 L N 5.537 126.897 121.223 0.229 0.000 2.322 518 L HA 0.719 5.059 4.340 -0.000 0.000 0.281 518 L C -1.165 175.792 176.870 0.144 0.000 1.014 518 L CA -0.386 54.594 54.840 0.233 0.000 0.815 518 L CB 1.354 43.513 42.059 0.166 0.000 1.247 518 L HN 0.615 nan 8.230 nan 0.000 0.421 519 I N 4.584 125.227 120.570 0.123 0.000 2.382 519 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 519 I C -0.345 175.802 176.117 0.050 0.000 1.002 519 I CA -0.448 60.898 61.300 0.076 0.000 1.135 519 I CB 1.838 39.871 38.000 0.055 0.000 1.288 519 I HN 0.617 nan 8.210 nan 0.000 0.448 520 E N 6.384 126.617 120.200 0.055 0.000 2.105 520 E HA 0.353 4.703 4.350 -0.000 0.000 0.285 520 E C -1.254 175.355 176.600 0.014 0.000 1.055 520 E CA -0.491 55.929 56.400 0.033 0.000 0.843 520 E CB 1.172 30.945 29.700 0.122 0.000 1.067 520 E HN 0.357 nan 8.360 nan 0.000 0.398 521 V N 3.892 123.791 119.914 -0.024 0.000 2.394 521 V HA 0.155 4.275 4.120 -0.000 0.000 0.282 521 V C -0.016 176.062 176.094 -0.028 0.000 1.031 521 V CA -0.741 61.542 62.300 -0.028 0.000 0.881 521 V CB 1.651 33.443 31.823 -0.052 0.000 0.982 521 V HN 0.618 nan 8.190 nan 0.000 0.451 522 S N 3.918 119.609 115.700 -0.016 0.000 2.405 522 S HA 0.374 4.844 4.470 -0.000 0.000 0.291 522 S C 0.524 175.099 174.600 -0.041 0.000 1.137 522 S CA -0.501 57.691 58.200 -0.014 0.000 1.061 522 S CB 0.309 63.506 63.200 -0.005 0.000 1.001 522 S HN 0.975 nan 8.310 nan 0.000 0.507 523 T N -0.563 113.966 114.554 -0.042 0.000 2.952 523 T HA 0.685 5.035 4.350 -0.000 0.000 0.286 523 T C 0.318 174.979 174.700 -0.064 0.000 1.024 523 T CA -0.993 61.068 62.100 -0.066 0.000 1.029 523 T CB 0.952 69.788 68.868 -0.054 0.000 1.094 523 T HN 0.395 nan 8.240 nan 0.000 0.515 524 V N -0.848 119.002 119.914 -0.106 0.000 2.732 524 V HA 0.771 4.891 4.120 -0.000 0.000 0.297 524 V C 0.862 176.950 176.094 -0.011 0.000 1.060 524 V CA -0.335 61.910 62.300 -0.091 0.000 1.038 524 V CB -0.385 31.318 31.823 -0.200 0.000 1.003 524 V HN 1.413 nan 8.190 nan 0.000 0.481 525 S N 0.000 115.711 115.700 0.019 0.000 2.498 525 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 525 S CA 0.000 58.234 58.200 0.057 0.000 1.107 525 S CB 0.000 63.239 63.200 0.066 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517