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 3fzn_1_C 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 STV 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 0.000 177.668 177.584 0.139 0.000 1.274 2 A CA 0.000 52.109 52.037 0.121 0.000 0.836 2 A CB 0.000 19.089 19.000 0.149 0.000 0.831 3 S N -0.065 115.731 115.700 0.160 0.000 2.614 3 S HA 0.434 4.904 4.470 0.000 0.000 0.265 3 S C 1.193 175.945 174.600 0.253 0.000 1.303 3 S CA 0.076 58.392 58.200 0.194 0.000 1.000 3 S CB 0.988 64.313 63.200 0.209 0.000 0.935 3 S HN 1.481 nan 8.310 nan 0.000 0.551 4 V N 1.711 121.785 119.914 0.267 0.000 2.332 4 V HA -0.210 3.910 4.120 0.000 0.000 0.248 4 V C 2.591 178.984 176.094 0.499 0.000 1.055 4 V CA 2.318 64.801 62.300 0.305 0.000 1.038 4 V CB -1.418 30.518 31.823 0.189 0.000 0.651 4 V HN 1.050 nan 8.190 nan 0.000 0.450 5 H N 0.702 120.075 119.070 0.504 0.000 2.289 5 H HA -0.192 4.364 4.556 0.000 0.000 0.296 5 H C 2.292 177.836 175.328 0.361 0.000 1.091 5 H CA 2.365 58.711 56.048 0.497 0.000 1.274 5 H CB -0.488 29.486 29.762 0.354 0.000 1.364 5 H HN 0.432 nan 8.280 nan 0.000 0.490 6 G N -0.755 108.310 108.800 0.442 0.000 2.404 6 G HA2 -0.226 3.734 3.960 0.000 0.000 0.215 6 G HA3 -0.226 3.734 3.960 0.000 0.000 0.215 6 G C 1.832 176.871 174.900 0.231 0.000 1.174 6 G CA 1.244 46.518 45.100 0.289 0.000 0.780 6 G HN 0.449 nan 8.290 nan 0.000 0.537 7 T N 0.980 115.698 114.554 0.274 0.000 2.788 7 T HA -0.110 4.240 4.350 0.000 0.000 0.268 7 T C 2.626 177.510 174.700 0.308 0.000 1.044 7 T CA 1.770 64.067 62.100 0.328 0.000 1.139 7 T CB -0.444 68.622 68.868 0.329 0.000 0.867 7 T HN 0.286 nan 8.240 nan 0.000 0.454 8 T N 0.864 115.577 114.554 0.265 0.000 2.737 8 T HA -0.059 4.292 4.350 0.000 0.000 0.265 8 T C 1.642 176.348 174.700 0.010 0.000 1.038 8 T CA 1.100 63.313 62.100 0.188 0.000 1.144 8 T CB -0.486 68.565 68.868 0.306 0.000 0.866 8 T HN 0.414 nan 8.240 nan 0.000 0.434 9 Y N 1.238 121.479 120.300 -0.098 0.000 2.293 9 Y HA -0.043 4.507 4.550 0.000 0.000 0.291 9 Y C 2.589 178.423 175.900 -0.109 0.000 1.137 9 Y CA 0.996 58.935 58.100 -0.269 0.000 1.202 9 Y CB -0.230 37.900 38.460 -0.549 0.000 0.990 9 Y HN 0.181 nan 8.280 nan 0.000 0.537 10 E N 0.431 120.638 120.200 0.012 0.000 2.077 10 E HA -0.195 4.155 4.350 0.000 0.000 0.193 10 E C 2.048 178.471 176.600 -0.295 0.000 0.989 10 E CA 0.981 57.245 56.400 -0.227 0.000 0.800 10 E CB -0.531 28.884 29.700 -0.475 0.000 0.746 10 E HN 0.331 nan 8.360 nan 0.000 0.452 11 L N 0.272 121.461 121.223 -0.057 0.000 2.012 11 L HA -0.147 4.193 4.340 0.000 0.000 0.210 11 L C 2.129 179.049 176.870 0.083 0.000 1.073 11 L CA 1.733 56.672 54.840 0.164 0.000 0.748 11 L CB -0.649 41.599 42.059 0.316 0.000 0.891 11 L HN 0.280 nan 8.230 nan 0.000 0.431 12 L N -0.347 120.917 121.223 0.069 0.000 1.989 12 L HA -0.252 4.088 4.340 0.000 0.000 0.211 12 L C 2.878 179.811 176.870 0.104 0.000 1.071 12 L CA 2.102 56.995 54.840 0.088 0.000 0.749 12 L CB -0.752 41.347 42.059 0.066 0.000 0.890 12 L HN 0.414 nan 8.230 nan 0.000 0.431 13 R N -0.277 120.307 120.500 0.140 0.000 2.096 13 R HA -0.115 4.225 4.340 0.000 0.000 0.235 13 R C 2.224 178.500 176.300 -0.041 0.000 1.127 13 R CA 0.879 56.975 56.100 -0.007 0.000 0.968 13 R CB -0.467 29.832 30.300 -0.003 0.000 0.861 13 R HN 0.224 nan 8.270 nan 0.000 0.440 14 R N 0.622 121.096 120.500 -0.043 0.000 2.148 14 R HA 0.004 4.344 4.340 0.000 0.000 0.227 14 R C 1.574 177.884 176.300 0.017 0.000 1.103 14 R CA 0.857 56.941 56.100 -0.026 0.000 0.983 14 R CB -0.076 30.198 30.300 -0.044 0.000 0.874 14 R HN 0.421 nan 8.270 nan 0.000 0.451 15 Q N -0.522 119.293 119.800 0.025 0.000 2.320 15 Q HA 0.130 4.470 4.340 0.000 0.000 0.201 15 Q C 0.726 176.740 176.000 0.024 0.000 0.910 15 Q CA 0.506 56.325 55.803 0.026 0.000 0.946 15 Q CB 0.926 29.671 28.738 0.011 0.000 1.062 15 Q HN 0.545 nan 8.270 nan 0.000 0.503 16 G N 1.178 109.981 108.800 0.004 0.000 2.157 16 G HA2 -0.253 3.707 3.960 0.000 0.000 0.248 16 G HA3 -0.253 3.707 3.960 0.000 0.000 0.248 16 G C 0.189 175.074 174.900 -0.025 0.000 0.979 16 G CA -0.163 44.931 45.100 -0.009 0.000 0.650 16 G HN 0.339 nan 8.290 nan 0.000 0.529 17 I N 1.569 122.122 120.570 -0.029 0.000 2.395 17 I HA 0.421 4.591 4.170 0.000 0.000 0.289 17 I C 0.706 176.642 176.117 -0.300 0.000 1.023 17 I CA 0.169 61.453 61.300 -0.026 0.000 1.350 17 I CB 1.274 39.323 38.000 0.082 0.000 1.409 17 I HN 0.259 nan 8.210 nan 0.000 0.507 18 D N 1.638 121.852 120.400 -0.309 0.000 2.538 18 D HA 0.095 4.735 4.640 0.000 0.000 0.241 18 D C -0.157 175.963 176.300 -0.301 0.000 1.297 18 D CA -0.066 53.534 54.000 -0.667 0.000 0.804 18 D CB 0.557 41.072 40.800 -0.475 0.000 1.122 18 D HN 0.290 nan 8.370 nan 0.000 0.519 19 T N 0.036 114.555 114.554 -0.058 0.000 2.916 19 T HA 0.559 4.909 4.350 0.000 0.000 0.298 19 T C -0.967 173.727 174.700 -0.010 0.000 1.031 19 T CA -0.614 61.415 62.100 -0.119 0.000 0.993 19 T CB 2.518 71.137 68.868 -0.415 0.000 1.045 19 T HN -0.123 nan 8.240 nan 0.000 0.454 20 V N 3.757 123.670 119.914 -0.001 0.000 2.409 20 V HA 0.513 4.633 4.120 0.000 0.000 0.291 20 V C -0.957 174.915 176.094 -0.369 0.000 1.020 20 V CA -0.870 61.535 62.300 0.175 0.000 0.848 20 V CB 0.761 32.921 31.823 0.561 0.000 0.990 20 V HN 0.802 nan 8.190 nan 0.000 0.430 21 F N 3.110 123.028 119.950 -0.054 0.000 2.411 21 F HA 0.803 5.330 4.527 0.000 0.000 0.350 21 F C 0.924 176.592 175.800 -0.219 0.000 1.114 21 F CA -0.089 57.769 58.000 -0.236 0.000 1.135 21 F CB 1.737 40.647 39.000 -0.150 0.000 1.120 21 F HN 0.622 nan 8.300 nan 0.000 0.495 22 G N 2.196 110.856 108.800 -0.233 0.000 2.623 22 G HA2 0.301 4.261 3.960 0.000 0.000 0.290 22 G HA3 0.301 4.261 3.960 0.000 0.000 0.290 22 G C -2.250 172.710 174.900 0.101 0.000 1.437 22 G CA -0.909 44.179 45.100 -0.020 0.000 0.798 22 G HN 0.535 nan 8.290 nan 0.000 0.488 23 N N 1.080 119.892 118.700 0.187 0.000 2.461 23 N HA 0.459 5.199 4.740 0.000 0.000 0.284 23 N C -2.785 172.831 175.510 0.176 0.000 1.049 23 N CA -1.218 51.939 53.050 0.178 0.000 0.889 23 N CB 3.265 41.818 38.487 0.109 0.000 1.365 23 N HN 0.314 nan 8.380 nan 0.000 0.499 24 P HA 0.466 nan 4.420 nan 0.000 0.278 24 P C -0.323 176.937 177.300 -0.067 0.000 1.258 24 P CA -0.070 63.075 63.100 0.075 0.000 0.811 24 P CB 1.773 33.476 31.700 0.006 0.000 1.063 25 G N -1.015 107.721 108.800 -0.107 0.000 2.608 25 G HA2 0.356 4.316 3.960 0.000 0.000 0.291 25 G HA3 0.356 4.316 3.960 0.000 0.000 0.291 25 G C 0.678 175.511 174.900 -0.113 0.000 1.425 25 G CA 0.046 44.917 45.100 -0.381 0.000 0.787 25 G HN 0.393 nan 8.290 nan 0.000 0.484 26 S N 0.055 115.697 115.700 -0.097 0.000 2.370 26 S HA -0.167 4.303 4.470 0.000 0.000 0.226 26 S C 1.684 176.258 174.600 -0.042 0.000 1.033 26 S CA 1.732 59.901 58.200 -0.051 0.000 1.011 26 S CB -0.287 62.889 63.200 -0.040 0.000 0.852 26 S HN 0.442 nan 8.310 nan 0.000 0.457 27 N N 1.812 120.626 118.700 0.189 0.000 2.520 27 N HA 0.019 4.759 4.740 0.000 0.000 0.185 27 N C 1.050 176.722 175.510 0.270 0.000 1.068 27 N CA 1.062 54.253 53.050 0.234 0.000 0.911 27 N CB -0.259 38.408 38.487 0.300 0.000 0.961 27 N HN 0.614 nan 8.380 nan 0.000 0.446 28 E N -0.445 119.889 120.200 0.223 0.000 2.473 28 E HA 0.216 4.566 4.350 0.000 0.000 0.204 28 E C 1.757 178.447 176.600 0.151 0.000 0.994 28 E CA -0.146 56.396 56.400 0.238 0.000 0.945 28 E CB 0.049 29.899 29.700 0.250 0.000 0.990 28 E HN 0.193 nan 8.360 nan 0.000 0.493 29 L N 1.101 122.355 121.223 0.050 0.000 2.043 29 L HA -0.152 4.188 4.340 0.000 0.000 0.212 29 L C -0.677 176.204 176.870 0.019 0.000 1.075 29 L CA 1.458 56.292 54.840 -0.010 0.000 0.752 29 L CB -1.276 40.742 42.059 -0.067 0.000 0.891 29 L HN 0.151 nan 8.230 nan 0.000 0.432 30 P HA -0.161 nan 4.420 nan 0.000 0.226 30 P C 1.283 178.621 177.300 0.063 0.000 1.153 30 P CA 1.013 64.204 63.100 0.151 0.000 0.777 30 P CB 0.020 31.946 31.700 0.376 0.000 0.794 31 F N 0.179 119.916 119.950 -0.355 0.000 2.219 31 F HA 0.040 4.567 4.527 -0.000 0.000 0.294 31 F C 1.722 177.465 175.800 -0.095 0.000 1.086 31 F CA 1.215 58.796 58.000 -0.698 0.000 1.330 31 F CB -0.688 37.744 39.000 -0.947 0.000 1.047 31 F HN -0.290 nan 8.300 nan 0.000 0.495 32 L N 0.889 122.026 121.223 -0.142 0.000 2.341 32 L HA -0.027 4.313 4.340 0.000 0.000 0.214 32 L C 1.079 177.904 176.870 -0.075 0.000 1.115 32 L CA 0.159 54.904 54.840 -0.158 0.000 0.820 32 L CB -0.795 41.166 42.059 -0.163 0.000 0.944 32 L HN 0.052 nan 8.230 nan 0.000 0.452 33 K N -0.180 120.196 120.400 -0.041 0.000 2.336 33 K HA -0.038 4.282 4.320 0.000 0.000 0.262 33 K C -0.238 176.335 176.600 -0.044 0.000 0.992 33 K CA -0.266 55.986 56.287 -0.058 0.000 0.927 33 K CB 0.329 32.782 32.500 -0.079 0.000 0.956 33 K HN -0.048 nan 8.250 nan 0.000 0.495 34 D N -0.011 120.342 120.400 -0.079 0.000 2.751 34 D HA -0.221 4.419 4.640 0.000 0.000 0.233 34 D C -0.678 175.549 176.300 -0.122 0.000 1.149 34 D CA 0.828 54.767 54.000 -0.102 0.000 0.682 34 D CB -1.441 39.252 40.800 -0.178 0.000 1.068 34 D HN 0.500 nan 8.370 nan 0.000 0.429 35 F N 1.173 120.956 119.950 -0.279 0.000 2.590 35 F HA 0.180 4.707 4.527 -0.000 0.000 0.389 35 F C -1.373 174.209 175.800 -0.364 0.000 1.049 35 F CA -1.236 56.520 58.000 -0.406 0.000 1.199 35 F CB 0.392 39.222 39.000 -0.283 0.000 1.058 35 F HN -0.143 nan 8.300 nan 0.000 0.556 36 P HA 0.052 nan 4.420 nan 0.000 0.272 36 P C 0.197 177.334 177.300 -0.272 0.000 1.223 36 P CA -0.175 62.608 63.100 -0.528 0.000 0.784 36 P CB 0.500 31.846 31.700 -0.590 0.000 0.923 37 E N 1.529 121.654 120.200 -0.124 0.000 2.268 37 E HA -0.210 4.140 4.350 0.000 0.000 0.195 37 E C 0.506 177.090 176.600 -0.026 0.000 0.995 37 E CA 1.100 57.473 56.400 -0.045 0.000 0.836 37 E CB -0.420 29.257 29.700 -0.038 0.000 0.763 37 E HN 0.471 nan 8.360 nan 0.000 0.491 38 D N -0.005 120.379 120.400 -0.027 0.000 2.328 38 D HA -0.005 4.635 4.640 0.000 0.000 0.226 38 D C -0.248 175.949 176.300 -0.172 0.000 1.066 38 D CA -0.171 53.784 54.000 -0.075 0.000 0.861 38 D CB -0.233 40.505 40.800 -0.104 0.000 0.912 38 D HN 0.094 nan 8.370 nan 0.000 0.521 39 F N 1.268 121.072 119.950 -0.242 0.000 2.523 39 F HA 0.463 4.990 4.527 0.000 0.000 0.329 39 F C 0.852 176.656 175.800 0.007 0.000 1.061 39 F CA -1.152 56.711 58.000 -0.229 0.000 0.967 39 F CB 1.598 40.240 39.000 -0.596 0.000 1.218 39 F HN -0.221 nan 8.300 nan 0.000 0.480 40 R N 1.159 121.832 120.500 0.287 0.000 2.740 40 R HA 0.573 4.913 4.340 0.000 0.000 0.282 40 R C -2.161 174.350 176.300 0.352 0.000 0.969 40 R CA -0.866 55.423 56.100 0.314 0.000 0.918 40 R CB 1.662 32.005 30.300 0.071 0.000 1.175 40 R HN 0.679 nan 8.270 nan 0.000 0.464 41 Y N 3.130 123.485 120.300 0.090 0.000 2.341 41 Y HA 0.448 4.998 4.550 0.000 0.000 0.337 41 Y C -0.823 174.957 175.900 -0.199 0.000 1.014 41 Y CA -1.208 56.815 58.100 -0.130 0.000 1.111 41 Y CB 1.452 39.673 38.460 -0.399 0.000 1.194 41 Y HN 0.518 nan 8.280 nan 0.000 0.462 42 I N 8.324 128.482 120.570 -0.686 0.000 2.405 42 I HA 0.170 4.340 4.170 0.000 0.000 0.280 42 I C -0.825 175.026 176.117 -0.444 0.000 1.027 42 I CA -0.785 60.109 61.300 -0.677 0.000 1.161 42 I CB 0.859 38.417 38.000 -0.738 0.000 1.300 42 I HN 0.505 nan 8.210 nan 0.000 0.463 43 L N 6.539 127.783 121.223 0.035 0.000 2.349 43 L HA 0.711 5.051 4.340 0.000 0.000 0.275 43 L C 0.092 177.161 176.870 0.332 0.000 1.115 43 L CA 0.349 55.356 54.840 0.277 0.000 0.820 43 L CB 1.054 43.455 42.059 0.571 0.000 1.135 43 L HN 0.705 nan 8.230 nan 0.000 0.445 44 A N 4.911 127.865 122.820 0.224 0.000 2.423 44 A HA 0.583 4.903 4.320 0.000 0.000 0.304 44 A C 0.264 177.911 177.584 0.104 0.000 1.104 44 A CA -0.643 51.518 52.037 0.207 0.000 0.757 44 A CB 1.140 20.213 19.000 0.121 0.000 1.313 44 A HN 0.836 nan 8.150 nan 0.000 0.423 45 L N -0.173 121.062 121.223 0.019 0.000 2.558 45 L HA 0.170 4.510 4.340 0.000 0.000 0.225 45 L C 0.833 177.673 176.870 -0.050 0.000 1.128 45 L CA 0.745 55.528 54.840 -0.096 0.000 0.868 45 L CB 0.054 41.971 42.059 -0.236 0.000 1.006 45 L HN 0.694 nan 8.230 nan 0.000 0.454 46 Q N -0.536 119.258 119.800 -0.010 0.000 2.435 46 Q HA 0.138 4.478 4.340 0.000 0.000 0.282 46 Q C -0.411 175.608 176.000 0.031 0.000 1.020 46 Q CA -0.248 55.562 55.803 0.011 0.000 0.820 46 Q CB 2.392 31.135 28.738 0.008 0.000 1.436 46 Q HN -0.012 nan 8.270 nan 0.000 0.395 47 E N 0.959 121.185 120.200 0.044 0.000 2.208 47 E HA -0.037 4.313 4.350 0.000 0.000 0.193 47 E C 1.519 178.145 176.600 0.043 0.000 0.988 47 E CA 1.338 57.769 56.400 0.052 0.000 0.828 47 E CB 0.055 29.794 29.700 0.066 0.000 0.763 47 E HN 0.660 nan 8.360 nan 0.000 0.478 48 A N 0.422 123.267 122.820 0.042 0.000 1.908 48 A HA -0.255 4.065 4.320 0.000 0.000 0.218 48 A C 2.295 179.896 177.584 0.029 0.000 1.181 48 A CA 1.581 53.643 52.037 0.042 0.000 0.627 48 A CB -1.024 18.010 19.000 0.058 0.000 0.818 48 A HN 0.435 nan 8.150 nan 0.000 0.445 49 C N -1.336 117.977 119.300 0.023 0.000 2.453 49 C HA -0.037 4.423 4.460 0.000 0.000 0.277 49 C C 2.670 177.660 174.990 -0.001 0.000 1.262 49 C CA 0.773 59.795 59.018 0.007 0.000 1.718 49 C CB -1.423 26.321 27.740 0.007 0.000 2.031 49 C HN 0.456 nan 8.230 nan 0.000 0.480 50 V N 1.213 121.139 119.914 0.020 0.000 2.252 50 V HA -0.232 3.888 4.120 0.000 0.000 0.249 50 V C 2.453 178.525 176.094 -0.035 0.000 1.056 50 V CA 2.366 64.680 62.300 0.023 0.000 1.022 50 V CB -0.833 31.023 31.823 0.056 0.000 0.641 50 V HN 0.485 nan 8.190 nan 0.000 0.445 51 V N 0.729 120.632 119.914 -0.018 0.000 2.358 51 V HA -0.113 4.007 4.120 0.000 0.000 0.246 51 V C 2.641 178.696 176.094 -0.065 0.000 1.047 51 V CA 1.974 64.254 62.300 -0.034 0.000 1.035 51 V CB -1.388 30.443 31.823 0.014 0.000 0.658 51 V HN 0.609 nan 8.190 nan 0.000 0.452 52 G N 0.174 108.947 108.800 -0.045 0.000 2.440 52 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 52 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 52 G C 1.580 176.366 174.900 -0.190 0.000 1.154 52 G CA 1.133 46.187 45.100 -0.077 0.000 0.767 52 G HN 0.484 nan 8.290 nan 0.000 0.552 53 I N 1.433 121.884 120.570 -0.199 0.000 2.142 53 I HA -0.192 3.978 4.170 0.000 0.000 0.240 53 I C 3.319 179.128 176.117 -0.514 0.000 1.078 53 I CA 1.083 62.223 61.300 -0.267 0.000 1.343 53 I CB -0.290 37.616 38.000 -0.157 0.000 1.046 53 I HN 0.239 nan 8.210 nan 0.000 0.405 54 A N 0.232 122.596 122.820 -0.761 0.000 1.940 54 A HA -0.305 4.015 4.320 0.000 0.000 0.219 54 A C 2.055 179.413 177.584 -0.376 0.000 1.176 54 A CA 2.314 53.743 52.037 -1.012 0.000 0.631 54 A CB -0.669 17.915 19.000 -0.693 0.000 0.814 54 A HN 0.459 nan 8.150 nan 0.000 0.446 55 D N -0.467 119.812 120.400 -0.201 0.000 2.084 55 D HA -0.066 4.574 4.640 0.000 0.000 0.194 55 D C 2.108 178.371 176.300 -0.063 0.000 0.990 55 D CA 1.695 55.670 54.000 -0.041 0.000 0.826 55 D CB -0.686 40.168 40.800 0.091 0.000 0.971 55 D HN 0.292 nan 8.370 nan 0.000 0.453 56 G N -0.985 107.718 108.800 -0.162 0.000 2.442 56 G HA2 -0.320 3.640 3.960 0.000 0.000 0.219 56 G HA3 -0.320 3.640 3.960 0.000 0.000 0.219 56 G C 1.693 176.478 174.900 -0.191 0.000 1.141 56 G CA 0.995 45.935 45.100 -0.268 0.000 0.763 56 G HN 0.385 nan 8.290 nan 0.000 0.554 57 Y N 1.857 122.010 120.300 -0.244 0.000 2.145 57 Y HA 0.028 4.578 4.550 0.000 0.000 0.286 57 Y C 2.948 178.805 175.900 -0.073 0.000 1.145 57 Y CA 1.489 59.507 58.100 -0.137 0.000 1.148 57 Y CB -0.330 38.061 38.460 -0.115 0.000 0.981 57 Y HN 0.248 nan 8.280 nan 0.000 0.507 58 A N 0.129 122.965 122.820 0.027 0.000 1.877 58 A HA -0.246 4.074 4.320 0.000 0.000 0.216 58 A C 2.118 179.682 177.584 -0.033 0.000 1.186 58 A CA 1.976 54.020 52.037 0.011 0.000 0.620 58 A CB -0.767 18.269 19.000 0.061 0.000 0.822 58 A HN 0.656 nan 8.150 nan 0.000 0.443 59 Q N -0.836 118.940 119.800 -0.041 0.000 2.084 59 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 59 Q C 2.436 178.449 176.000 0.022 0.000 0.978 59 Q CA 1.444 57.255 55.803 0.014 0.000 0.844 59 Q CB -0.344 28.402 28.738 0.013 0.000 0.898 59 Q HN 0.686 nan 8.270 nan 0.000 0.426 60 A N 1.001 123.760 122.820 -0.102 0.000 1.929 60 A HA -0.131 4.189 4.320 0.000 0.000 0.216 60 A C 2.210 179.744 177.584 -0.083 0.000 1.176 60 A CA 1.570 53.584 52.037 -0.040 0.000 0.628 60 A CB -0.371 18.564 19.000 -0.109 0.000 0.816 60 A HN 0.427 nan 8.150 nan 0.000 0.444 61 S N -1.413 114.170 115.700 -0.195 0.000 2.496 61 S HA 0.030 4.500 4.470 0.000 0.000 0.224 61 S C 0.892 175.438 174.600 -0.090 0.000 0.996 61 S CA 0.500 58.577 58.200 -0.206 0.000 0.927 61 S CB -0.300 62.659 63.200 -0.401 0.000 0.774 61 S HN 0.522 nan 8.310 nan 0.000 0.524 62 R N 0.677 121.152 120.500 -0.043 0.000 3.422 62 R HA -0.116 4.224 4.340 0.000 0.000 0.267 62 R C -0.957 175.347 176.300 0.006 0.000 1.074 62 R CA 0.873 56.974 56.100 0.002 0.000 0.718 62 R CB -1.956 28.351 30.300 0.012 0.000 1.157 62 R HN 0.562 nan 8.270 nan 0.000 0.440 63 K N -0.755 119.649 120.400 0.006 0.000 2.536 63 K HA 0.416 4.736 4.320 0.000 0.000 0.269 63 K C -2.781 173.866 176.600 0.078 0.000 0.965 63 K CA -2.196 54.114 56.287 0.038 0.000 0.860 63 K CB 2.321 34.841 32.500 0.032 0.000 1.423 63 K HN -0.264 nan 8.250 nan 0.000 0.438 64 P HA 0.034 nan 4.420 nan 0.000 0.267 64 P C -1.379 176.057 177.300 0.228 0.000 1.200 64 P CA -0.135 63.051 63.100 0.143 0.000 0.772 64 P CB 0.601 32.381 31.700 0.133 0.000 0.855 65 A N 2.610 125.578 122.820 0.247 0.000 2.350 65 A HA 0.644 4.964 4.320 0.000 0.000 0.324 65 A C -1.358 176.435 177.584 0.348 0.000 1.118 65 A CA -0.514 51.738 52.037 0.359 0.000 0.783 65 A CB 0.493 19.656 19.000 0.271 0.000 1.236 65 A HN 0.469 nan 8.150 nan 0.000 0.457 66 F N 2.409 122.547 119.950 0.312 0.000 2.427 66 F HA 0.741 5.268 4.527 -0.000 0.000 0.346 66 F C -0.635 175.345 175.800 0.300 0.000 1.120 66 F CA -0.729 57.425 58.000 0.257 0.000 1.033 66 F CB 0.888 40.031 39.000 0.238 0.000 1.126 66 F HN 0.427 nan 8.300 nan 0.000 0.462 67 I N 4.705 125.086 120.570 -0.316 0.000 2.646 67 I HA 0.344 4.514 4.170 0.000 0.000 0.299 67 I C -1.149 174.815 176.117 -0.255 0.000 1.036 67 I CA -0.868 60.374 61.300 -0.096 0.000 1.074 67 I CB 2.264 40.242 38.000 -0.036 0.000 1.258 67 I HN 0.548 nan 8.210 nan 0.000 0.430 68 N N 5.664 124.377 118.700 0.021 0.000 2.504 68 N HA 0.629 5.369 4.740 0.000 0.000 0.280 68 N C -1.668 173.923 175.510 0.135 0.000 1.052 68 N CA -0.341 52.760 53.050 0.084 0.000 0.887 68 N CB 1.103 39.789 38.487 0.333 0.000 1.323 68 N HN 0.455 nan 8.380 nan 0.000 0.509 69 L N 1.060 122.345 121.223 0.103 0.000 2.286 69 L HA 0.493 4.833 4.340 0.000 0.000 0.265 69 L C -0.455 176.528 176.870 0.189 0.000 1.012 69 L CA -1.209 53.719 54.840 0.147 0.000 0.818 69 L CB 1.466 43.603 42.059 0.130 0.000 1.337 69 L HN 0.566 nan 8.230 nan 0.000 0.438 70 H N 0.492 119.617 119.070 0.092 0.000 2.724 70 H HA 0.337 4.893 4.556 -0.000 0.000 0.278 70 H C 0.272 175.653 175.328 0.088 0.000 1.159 70 H CA 0.717 56.818 56.048 0.088 0.000 1.254 70 H CB 0.565 30.372 29.762 0.075 0.000 1.412 70 H HN 0.704 nan 8.280 nan 0.000 0.488 71 S N 2.832 118.419 115.700 -0.188 0.000 3.144 71 S HA -0.372 4.098 4.470 0.000 0.000 0.629 71 S C 1.758 176.338 174.600 -0.034 0.000 2.962 71 S CA 1.536 59.632 58.200 -0.173 0.000 3.700 71 S CB -1.291 61.682 63.200 -0.377 0.000 0.286 71 S HN 1.052 nan 8.310 nan 0.000 1.464 72 A N 0.324 123.121 122.820 -0.038 0.000 1.929 72 A HA 0.359 4.679 4.320 0.000 0.000 0.216 72 A C 2.611 180.201 177.584 0.010 0.000 1.176 72 A CA 2.317 54.354 52.037 -0.000 0.000 0.628 72 A CB -1.448 17.544 19.000 -0.012 0.000 0.816 72 A HN 1.681 nan 8.150 nan 0.000 0.444 73 A N -0.288 122.541 122.820 0.014 0.000 1.877 73 A HA 0.111 4.431 4.320 0.000 0.000 0.216 73 A C 2.411 180.036 177.584 0.068 0.000 1.186 73 A CA 1.983 54.049 52.037 0.048 0.000 0.620 73 A CB -1.405 17.645 19.000 0.083 0.000 0.822 73 A HN 0.692 nan 8.150 nan 0.000 0.443 74 G N -1.242 107.617 108.800 0.099 0.000 2.402 74 G HA2 -0.125 3.835 3.960 0.000 0.000 0.216 74 G HA3 -0.125 3.835 3.960 0.000 0.000 0.216 74 G C 1.581 176.535 174.900 0.089 0.000 1.162 74 G CA 1.644 46.813 45.100 0.115 0.000 0.777 74 G HN 0.429 nan 8.290 nan 0.000 0.539 75 T N 1.075 115.683 114.554 0.090 0.000 2.684 75 T HA -0.074 4.276 4.350 0.000 0.000 0.267 75 T C 2.498 177.203 174.700 0.007 0.000 1.036 75 T CA 1.565 63.708 62.100 0.072 0.000 1.148 75 T CB -0.674 68.249 68.868 0.093 0.000 0.863 75 T HN 0.355 nan 8.240 nan 0.000 0.436 76 G N 1.968 110.769 108.800 0.001 0.000 2.440 76 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 76 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 76 G C 1.627 176.530 174.900 0.004 0.000 1.154 76 G CA 0.659 45.752 45.100 -0.013 0.000 0.767 76 G HN 0.385 nan 8.290 nan 0.000 0.552 77 N N 1.017 119.732 118.700 0.025 0.000 2.364 77 N HA -0.018 4.722 4.740 0.000 0.000 0.183 77 N C 1.947 177.477 175.510 0.033 0.000 1.022 77 N CA 0.998 54.069 53.050 0.034 0.000 0.883 77 N CB -0.155 38.359 38.487 0.045 0.000 0.965 77 N HN 0.341 nan 8.380 nan 0.000 0.438 78 A N -0.527 122.310 122.820 0.029 0.000 2.345 78 A HA 0.191 4.511 4.320 0.000 0.000 0.225 78 A C 1.765 179.355 177.584 0.009 0.000 1.243 78 A CA -0.085 51.968 52.037 0.028 0.000 0.875 78 A CB -0.003 19.021 19.000 0.040 0.000 0.929 78 A HN 0.023 nan 8.150 nan 0.000 0.502 79 M N -0.499 119.095 119.600 -0.010 0.000 2.319 79 M HA -0.035 4.445 4.480 0.000 0.000 0.265 79 M C 2.127 178.411 176.300 -0.027 0.000 1.068 79 M CA 1.311 56.590 55.300 -0.035 0.000 1.118 79 M CB -1.291 31.274 32.600 -0.058 0.000 1.395 79 M HN 0.498 nan 8.290 nan 0.000 0.435 80 G N -0.016 108.778 108.800 -0.010 0.000 2.402 80 G HA2 -0.076 3.884 3.960 0.000 0.000 0.216 80 G HA3 -0.076 3.884 3.960 0.000 0.000 0.216 80 G C 1.652 176.549 174.900 -0.005 0.000 1.162 80 G CA 1.045 46.137 45.100 -0.013 0.000 0.777 80 G HN 0.512 nan 8.290 nan 0.000 0.539 81 A N 0.758 123.590 122.820 0.020 0.000 1.908 81 A HA 0.013 4.333 4.320 0.000 0.000 0.218 81 A C 2.424 180.033 177.584 0.041 0.000 1.181 81 A CA 1.403 53.467 52.037 0.044 0.000 0.627 81 A CB -0.458 18.575 19.000 0.054 0.000 0.818 81 A HN 0.364 nan 8.150 nan 0.000 0.445 82 L N 0.462 121.702 121.223 0.028 0.000 2.131 82 L HA -0.192 4.148 4.340 0.000 0.000 0.210 82 L C 3.022 179.925 176.870 0.055 0.000 1.092 82 L CA 1.448 56.314 54.840 0.043 0.000 0.759 82 L CB -0.579 41.490 42.059 0.017 0.000 0.903 82 L HN 0.659 nan 8.230 nan 0.000 0.435 83 S N -0.014 115.691 115.700 0.009 0.000 2.370 83 S HA -0.202 4.268 4.470 0.000 0.000 0.226 83 S C 1.823 176.442 174.600 0.031 0.000 1.033 83 S CA 1.427 59.630 58.200 0.005 0.000 1.011 83 S CB -0.457 62.717 63.200 -0.043 0.000 0.852 83 S HN 0.430 nan 8.310 nan 0.000 0.457 84 N N 2.575 121.260 118.700 -0.024 0.000 2.120 84 N HA 0.051 4.791 4.740 0.000 0.000 0.188 84 N C 2.048 177.523 175.510 -0.057 0.000 1.024 84 N CA 1.519 54.508 53.050 -0.102 0.000 0.852 84 N CB -0.967 37.397 38.487 -0.205 0.000 1.003 84 N HN 0.645 nan 8.380 nan 0.000 0.424 85 A N 1.176 124.010 122.820 0.023 0.000 1.972 85 A HA -0.151 4.169 4.320 0.000 0.000 0.219 85 A C 2.057 179.688 177.584 0.079 0.000 1.169 85 A CA 0.865 52.933 52.037 0.052 0.000 0.635 85 A CB -0.971 18.082 19.000 0.089 0.000 0.810 85 A HN 0.569 nan 8.150 nan 0.000 0.446 86 W N 1.238 122.509 121.300 -0.049 0.000 2.354 86 W HA -0.217 4.443 4.660 -0.000 0.000 0.315 86 W C 1.467 177.908 176.519 -0.129 0.000 1.206 86 W CA 2.092 59.407 57.345 -0.049 0.000 1.290 86 W CB -0.493 28.942 29.460 -0.042 0.000 1.152 86 W HN 0.406 nan 8.180 nan 0.000 0.489 87 N N 0.437 119.135 118.700 -0.003 0.000 2.289 87 N HA -0.166 4.574 4.740 0.000 0.000 0.184 87 N C 1.801 177.110 175.510 -0.334 0.000 1.016 87 N CA 2.202 55.143 53.050 -0.181 0.000 0.872 87 N CB -0.630 37.823 38.487 -0.058 0.000 0.973 87 N HN 0.151 nan 8.380 nan 0.000 0.433 88 S N -1.311 114.250 115.700 -0.232 0.000 2.575 88 S HA 0.055 4.525 4.470 0.000 0.000 0.215 88 S C -0.125 174.412 174.600 -0.106 0.000 0.966 88 S CA -0.249 57.856 58.200 -0.157 0.000 0.911 88 S CB -0.625 62.532 63.200 -0.072 0.000 0.780 88 S HN 0.423 nan 8.310 nan 0.000 0.514 89 H N 0.821 119.811 119.070 -0.133 0.000 2.713 89 H HA -0.129 4.427 4.556 0.000 0.000 0.311 89 H C -0.634 174.660 175.328 -0.057 0.000 1.175 89 H CA 0.424 56.384 56.048 -0.147 0.000 1.143 89 H CB -2.142 27.541 29.762 -0.131 0.000 1.434 89 H HN 0.360 nan 8.280 nan 0.000 0.418 90 S N 2.230 117.966 115.700 0.060 0.000 2.489 90 S HA 0.164 4.634 4.470 0.000 0.000 0.277 90 S C -1.857 172.789 174.600 0.076 0.000 1.230 90 S CA -1.116 57.127 58.200 0.071 0.000 1.053 90 S CB 1.140 64.379 63.200 0.065 0.000 0.955 90 S HN 0.195 nan 8.310 nan 0.000 0.488 91 P HA 0.192 nan 4.420 nan 0.000 0.252 91 P C -1.057 176.301 177.300 0.097 0.000 1.727 91 P CA -0.000 63.149 63.100 0.082 0.000 1.134 91 P CB -0.288 31.456 31.700 0.073 0.000 1.876 92 L N 4.118 125.401 121.223 0.100 0.000 2.296 92 L HA 0.481 4.821 4.340 0.000 0.000 0.286 92 L C 0.711 177.638 176.870 0.096 0.000 1.023 92 L CA -0.964 53.932 54.840 0.094 0.000 0.812 92 L CB 1.662 43.767 42.059 0.077 0.000 1.223 92 L HN 0.128 nan 8.230 nan 0.000 0.421 93 I N 4.320 124.934 120.570 0.073 0.000 2.310 93 I HA 0.175 4.345 4.170 0.000 0.000 0.287 93 I C -0.261 175.765 176.117 -0.151 0.000 1.073 93 I CA -0.427 60.888 61.300 0.024 0.000 1.216 93 I CB 1.090 39.153 38.000 0.105 0.000 1.415 93 I HN 0.240 nan 8.210 nan 0.000 0.480 94 V N 5.224 125.107 119.914 -0.052 0.000 2.348 94 V HA 0.262 4.382 4.120 0.000 0.000 0.270 94 V C 0.654 176.641 176.094 -0.178 0.000 1.037 94 V CA -0.426 61.834 62.300 -0.067 0.000 0.872 94 V CB 0.984 32.892 31.823 0.142 0.000 1.002 94 V HN 0.786 nan 8.190 nan 0.000 0.464 95 T N 2.387 116.749 114.554 -0.319 0.000 2.859 95 T HA 0.861 5.211 4.350 0.000 0.000 0.281 95 T C -0.331 174.230 174.700 -0.232 0.000 1.005 95 T CA -0.477 61.426 62.100 -0.328 0.000 1.025 95 T CB 1.965 70.630 68.868 -0.339 0.000 0.977 95 T HN 0.964 nan 8.240 nan 0.000 0.458 96 A N 1.827 124.486 122.820 -0.269 0.000 2.422 96 A HA 0.845 5.165 4.320 0.000 0.000 0.302 96 A C 0.287 177.844 177.584 -0.044 0.000 1.041 96 A CA -0.714 51.260 52.037 -0.105 0.000 0.708 96 A CB 1.336 20.308 19.000 -0.047 0.000 1.257 96 A HN 1.323 nan 8.150 nan 0.000 0.414 97 G N 0.401 109.239 108.800 0.064 0.000 2.403 97 G HA2 0.484 4.444 3.960 0.000 0.000 0.259 97 G HA3 0.484 4.444 3.960 0.000 0.000 0.259 97 G C -0.223 174.721 174.900 0.074 0.000 1.244 97 G CA -0.042 45.142 45.100 0.140 0.000 0.849 97 G HN 0.867 nan 8.290 nan 0.000 0.532 98 Q N 0.431 120.287 119.800 0.094 0.000 2.297 98 Q HA 0.351 4.691 4.340 0.000 0.000 0.269 98 Q C 0.271 176.339 176.000 0.114 0.000 1.051 98 Q CA -0.698 55.132 55.803 0.045 0.000 0.869 98 Q CB 1.140 29.865 28.738 -0.022 0.000 1.346 98 Q HN 0.488 nan 8.270 nan 0.000 0.457 99 Q N 0.433 120.269 119.800 0.060 0.000 2.614 99 Q HA 0.107 4.447 4.340 0.000 0.000 0.244 99 Q C -0.415 175.464 176.000 -0.201 0.000 1.097 99 Q CA 0.622 56.453 55.803 0.047 0.000 0.986 99 Q CB 0.328 29.080 28.738 0.023 0.000 1.308 99 Q HN 0.923 nan 8.270 nan 0.000 0.546 100 T N -0.863 113.391 114.554 -0.501 0.000 2.940 100 T HA 0.095 4.445 4.350 0.000 0.000 0.309 100 T C 1.172 175.709 174.700 -0.272 0.000 1.056 100 T CA -0.257 61.479 62.100 -0.606 0.000 1.137 100 T CB 0.569 69.074 68.868 -0.605 0.000 0.976 100 T HN 0.499 nan 8.240 nan 0.000 0.547 101 R N 1.995 122.361 120.500 -0.223 0.000 2.139 101 R HA -0.144 4.196 4.340 0.000 0.000 0.243 101 R C 2.679 178.916 176.300 -0.106 0.000 1.145 101 R CA 1.419 57.435 56.100 -0.140 0.000 0.976 101 R CB -0.809 29.419 30.300 -0.120 0.000 0.866 101 R HN 0.864 nan 8.270 nan 0.000 0.449 102 A N 0.416 123.172 122.820 -0.106 0.000 2.067 102 A HA -0.085 4.235 4.320 0.000 0.000 0.219 102 A C 1.853 179.405 177.584 -0.053 0.000 1.158 102 A CA 1.152 53.149 52.037 -0.068 0.000 0.661 102 A CB -0.158 18.809 19.000 -0.056 0.000 0.801 102 A HN 0.221 nan 8.150 nan 0.000 0.452 103 M N -1.348 118.214 119.600 -0.063 0.000 2.333 103 M HA 0.287 4.767 4.480 0.000 0.000 0.257 103 M C 1.320 177.601 176.300 -0.033 0.000 1.078 103 M CA 0.110 55.389 55.300 -0.034 0.000 1.005 103 M CB 0.090 32.681 32.600 -0.015 0.000 1.444 103 M HN 0.274 nan 8.290 nan 0.000 0.496 104 I N 0.705 121.246 120.570 -0.050 0.000 2.208 104 I HA -0.192 3.978 4.170 0.000 0.000 0.245 104 I C 2.524 178.620 176.117 -0.034 0.000 1.097 104 I CA 1.604 62.877 61.300 -0.044 0.000 1.363 104 I CB -0.654 37.309 38.000 -0.060 0.000 1.051 104 I HN 0.390 nan 8.210 nan 0.000 0.413 105 G N -0.064 108.716 108.800 -0.033 0.000 2.422 105 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 105 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 105 G C 1.684 176.573 174.900 -0.019 0.000 1.146 105 G CA 0.787 45.871 45.100 -0.027 0.000 0.769 105 G HN 0.312 nan 8.290 nan 0.000 0.547 106 V N 0.304 120.209 119.914 -0.015 0.000 3.380 106 V HA 0.125 4.245 4.120 0.000 0.000 0.268 106 V C 0.727 176.818 176.094 -0.006 0.000 1.168 106 V CA 1.109 63.404 62.300 -0.009 0.000 1.156 106 V CB -0.767 31.053 31.823 -0.005 0.000 0.785 106 V HN 0.641 nan 8.190 nan 0.000 0.487 107 E N -0.115 120.080 120.200 -0.008 0.000 2.246 107 E HA -0.207 4.144 4.350 0.000 0.000 0.211 107 E C 0.437 177.040 176.600 0.004 0.000 1.278 107 E CA 0.164 56.561 56.400 -0.005 0.000 0.694 107 E CB -1.613 28.083 29.700 -0.007 0.000 1.166 107 E HN 0.780 nan 8.360 nan 0.000 0.370 108 A N 0.695 123.521 122.820 0.010 0.000 2.492 108 A HA 0.249 4.569 4.320 0.000 0.000 0.236 108 A C 0.533 178.134 177.584 0.029 0.000 1.078 108 A CA -0.170 51.881 52.037 0.023 0.000 0.773 108 A CB 0.346 19.366 19.000 0.033 0.000 1.023 108 A HN 0.363 nan 8.150 nan 0.000 0.504 109 L N 0.752 121.997 121.223 0.037 0.000 2.543 109 L HA 0.050 4.390 4.340 0.000 0.000 0.285 109 L C 0.907 177.810 176.870 0.055 0.000 1.236 109 L CA 1.429 56.295 54.840 0.043 0.000 0.871 109 L CB -0.310 41.779 42.059 0.051 0.000 1.121 109 L HN 0.727 nan 8.230 nan 0.000 0.501 110 L N 1.540 122.788 121.223 0.042 0.000 4.937 110 L HA -0.244 4.096 4.340 0.000 0.000 0.422 110 L C 0.336 177.202 176.870 -0.008 0.000 1.059 110 L CA 0.429 55.278 54.840 0.015 0.000 1.111 110 L CB -2.648 39.449 42.059 0.063 0.000 2.033 110 L HN 0.749 nan 8.230 nan 0.000 0.708 111 T N 0.856 115.413 114.554 0.004 0.000 2.834 111 T HA 0.134 4.484 4.350 0.000 0.000 0.298 111 T C 0.689 175.378 174.700 -0.019 0.000 0.966 111 T CA 0.003 62.098 62.100 -0.007 0.000 1.141 111 T CB 0.909 69.773 68.868 -0.007 0.000 0.905 111 T HN 0.160 nan 8.240 nan 0.000 0.535 112 N N 3.949 122.635 118.700 -0.024 0.000 2.521 112 N HA 0.132 4.872 4.740 0.000 0.000 0.236 112 N C -0.547 174.952 175.510 -0.018 0.000 1.067 112 N CA -0.297 52.743 53.050 -0.017 0.000 0.939 112 N CB 0.216 38.704 38.487 0.000 0.000 1.201 112 N HN 0.277 nan 8.380 nan 0.000 0.511 113 V N 3.268 123.169 119.914 -0.021 0.000 2.572 113 V HA 0.013 4.133 4.120 0.000 0.000 0.291 113 V C 0.781 176.857 176.094 -0.030 0.000 1.039 113 V CA -0.172 62.113 62.300 -0.026 0.000 1.055 113 V CB 0.574 32.383 31.823 -0.023 0.000 0.969 113 V HN 0.758 nan 8.190 nan 0.000 0.482 114 D N 3.520 123.898 120.400 -0.037 0.000 2.689 114 D HA -0.242 4.398 4.640 0.000 0.000 0.237 114 D C 1.267 177.543 176.300 -0.039 0.000 1.148 114 D CA 0.923 54.897 54.000 -0.043 0.000 0.656 114 D CB -0.603 40.172 40.800 -0.041 0.000 1.050 114 D HN 0.812 nan 8.370 nan 0.000 0.426 115 A N 0.516 123.322 122.820 -0.025 0.000 1.917 115 A HA 0.002 4.322 4.320 0.000 0.000 0.219 115 A C 2.483 180.101 177.584 0.056 0.000 1.182 115 A CA 2.547 54.602 52.037 0.030 0.000 0.633 115 A CB -0.740 18.285 19.000 0.042 0.000 0.819 115 A HN 0.858 nan 8.150 nan 0.000 0.448 116 A N -0.565 122.254 122.820 -0.002 0.000 2.067 116 A HA -0.102 4.218 4.320 0.000 0.000 0.219 116 A C 1.721 179.266 177.584 -0.064 0.000 1.158 116 A CA 1.613 53.644 52.037 -0.010 0.000 0.661 116 A CB -0.483 18.465 19.000 -0.087 0.000 0.801 116 A HN 0.539 nan 8.150 nan 0.000 0.452 117 N N -0.595 118.059 118.700 -0.076 0.000 2.446 117 N HA -0.004 4.736 4.740 0.000 0.000 0.179 117 N C 1.365 176.795 175.510 -0.134 0.000 1.054 117 N CA 0.477 53.470 53.050 -0.095 0.000 0.905 117 N CB -0.279 38.164 38.487 -0.073 0.000 0.973 117 N HN 0.413 nan 8.380 nan 0.000 0.448 118 L N 2.259 123.387 121.223 -0.157 0.000 1.989 118 L HA -0.043 4.297 4.340 0.000 0.000 0.211 118 L C -1.032 175.678 176.870 -0.266 0.000 1.071 118 L CA 2.042 56.765 54.840 -0.195 0.000 0.749 118 L CB -1.284 40.666 42.059 -0.182 0.000 0.890 118 L HN 0.126 nan 8.230 nan 0.000 0.431 119 P HA -0.053 nan 4.420 nan 0.000 0.245 119 P C -0.138 177.010 177.300 -0.254 0.000 1.206 119 P CA 0.326 63.203 63.100 -0.373 0.000 0.781 119 P CB -0.070 31.278 31.700 -0.586 0.000 0.994 120 R N 2.000 122.369 120.500 -0.217 0.000 2.543 120 R HA 0.169 4.509 4.340 0.000 0.000 0.277 120 R C -1.393 174.787 176.300 -0.199 0.000 1.074 120 R CA -1.039 54.945 56.100 -0.194 0.000 1.076 120 R CB -0.166 30.046 30.300 -0.146 0.000 0.993 120 R HN 0.104 nan 8.270 nan 0.000 0.459 121 P HA 0.104 nan 4.420 nan 0.000 0.249 121 P C 0.123 177.077 177.300 -0.576 0.000 1.583 121 P CA 0.299 63.196 63.100 -0.339 0.000 0.988 121 P CB 0.299 31.811 31.700 -0.314 0.000 1.530 122 L N -0.034 120.924 121.223 -0.442 0.000 2.629 122 L HA 0.173 4.513 4.340 0.000 0.000 0.230 122 L C 0.773 177.558 176.870 -0.142 0.000 1.151 122 L CA -0.227 54.343 54.840 -0.449 0.000 0.924 122 L CB 0.097 42.024 42.059 -0.220 0.000 1.137 122 L HN -0.097 nan 8.230 nan 0.000 0.457 123 V N -5.259 114.596 119.914 -0.099 0.000 3.007 123 V HA 0.370 4.490 4.120 0.000 0.000 0.311 123 V C 0.558 176.870 176.094 0.363 0.000 1.120 123 V CA -1.040 61.395 62.300 0.225 0.000 0.980 123 V CB 2.152 34.057 31.823 0.135 0.000 1.033 123 V HN 0.031 nan 8.190 nan 0.000 0.429 124 K N 0.883 121.588 120.400 0.508 0.000 2.217 124 K HA 0.125 4.445 4.320 0.000 0.000 0.202 124 K C -0.276 176.577 176.600 0.421 0.000 1.051 124 K CA 1.492 58.057 56.287 0.465 0.000 0.952 124 K CB 0.192 32.892 32.500 0.333 0.000 0.736 124 K HN 0.739 nan 8.250 nan 0.000 0.453 125 W N -0.267 121.127 121.300 0.157 0.000 3.479 125 W HA 0.323 4.983 4.660 -0.000 0.000 0.304 125 W C -1.743 174.869 176.519 0.155 0.000 1.243 125 W CA -0.617 56.801 57.345 0.121 0.000 1.202 125 W CB 1.889 31.397 29.460 0.080 0.000 1.346 125 W HN -0.348 nan 8.180 nan 0.000 0.539 126 S N 4.670 120.094 115.700 -0.460 0.000 2.572 126 S HA 0.715 5.185 4.470 0.000 0.000 0.274 126 S C -2.316 171.975 174.600 -0.515 0.000 1.150 126 S CA -0.343 57.669 58.200 -0.313 0.000 0.944 126 S CB 0.718 63.871 63.200 -0.077 0.000 1.071 126 S HN 0.486 nan 8.310 nan 0.000 0.479 127 Y N 2.083 122.010 120.300 -0.623 0.000 2.558 127 Y HA 0.505 5.055 4.550 0.000 0.000 0.333 127 Y C -1.280 174.430 175.900 -0.316 0.000 1.125 127 Y CA -0.627 57.113 58.100 -0.599 0.000 1.039 127 Y CB 1.666 39.467 38.460 -1.098 0.000 1.331 127 Y HN 0.699 nan 8.280 nan 0.000 0.456 128 E N 6.615 126.392 120.200 -0.706 0.000 2.216 128 E HA 0.477 4.827 4.350 0.000 0.000 0.260 128 E C -2.785 173.368 176.600 -0.745 0.000 0.880 128 E CA -2.462 53.621 56.400 -0.529 0.000 0.765 128 E CB 1.614 31.117 29.700 -0.327 0.000 1.174 128 E HN 0.305 nan 8.360 nan 0.000 0.417 129 P HA 0.055 nan 4.420 nan 0.000 0.269 129 P C -0.271 176.922 177.300 -0.178 0.000 1.209 129 P CA 0.068 63.052 63.100 -0.193 0.000 0.776 129 P CB 1.069 32.779 31.700 0.018 0.000 0.876 130 A N 1.435 124.203 122.820 -0.087 0.000 2.208 130 A HA 0.249 4.569 4.320 0.000 0.000 0.209 130 A C 0.618 178.173 177.584 -0.048 0.000 1.161 130 A CA 0.950 52.945 52.037 -0.070 0.000 0.782 130 A CB -0.550 18.436 19.000 -0.023 0.000 0.816 130 A HN 0.620 nan 8.150 nan 0.000 0.477 131 S N -3.876 111.802 115.700 -0.036 0.000 2.567 131 S HA 0.605 5.075 4.470 0.000 0.000 0.270 131 S C 0.625 175.193 174.600 -0.053 0.000 1.152 131 S CA -0.024 58.153 58.200 -0.039 0.000 0.835 131 S CB 1.047 64.238 63.200 -0.015 0.000 1.115 131 S HN 0.954 nan 8.310 nan 0.000 0.459 132 A N 1.652 124.431 122.820 -0.068 0.000 1.908 132 A HA 0.233 4.553 4.320 0.000 0.000 0.218 132 A C 2.282 179.835 177.584 -0.050 0.000 1.181 132 A CA 2.084 54.065 52.037 -0.094 0.000 0.627 132 A CB -1.557 17.395 19.000 -0.080 0.000 0.818 132 A HN 1.745 nan 8.150 nan 0.000 0.445 133 A N -0.657 122.157 122.820 -0.010 0.000 2.070 133 A HA -0.134 4.186 4.320 0.000 0.000 0.220 133 A C 1.922 179.530 177.584 0.040 0.000 1.159 133 A CA 1.580 53.629 52.037 0.020 0.000 0.656 133 A CB -0.436 18.576 19.000 0.021 0.000 0.800 133 A HN 0.686 nan 8.150 nan 0.000 0.453 134 E N -0.061 120.167 120.200 0.046 0.000 2.427 134 E HA -0.035 4.315 4.350 0.000 0.000 0.196 134 E C 1.510 178.189 176.600 0.133 0.000 1.028 134 E CA 0.637 57.103 56.400 0.111 0.000 0.864 134 E CB -0.065 29.720 29.700 0.141 0.000 0.813 134 E HN 0.350 nan 8.360 nan 0.000 0.514 135 V N 1.718 121.658 119.914 0.043 0.000 2.287 135 V HA -0.207 3.913 4.120 0.000 0.000 0.248 135 V C -0.746 175.404 176.094 0.093 0.000 1.053 135 V CA 2.175 64.478 62.300 0.005 0.000 1.027 135 V CB -1.274 30.428 31.823 -0.202 0.000 0.646 135 V HN 0.314 nan 8.190 nan 0.000 0.447 136 P HA -0.185 nan 4.420 nan 0.000 0.215 136 P C 1.720 179.123 177.300 0.171 0.000 1.153 136 P CA 1.578 64.779 63.100 0.167 0.000 0.853 136 P CB -0.226 31.581 31.700 0.177 0.000 0.788 137 H N 0.007 119.121 119.070 0.073 0.000 2.319 137 H HA -0.131 4.425 4.556 0.000 0.000 0.299 137 H C 1.738 177.109 175.328 0.071 0.000 1.092 137 H CA 1.807 57.887 56.048 0.054 0.000 1.302 137 H CB -0.296 29.487 29.762 0.034 0.000 1.373 137 H HN -0.021 nan 8.280 nan 0.000 0.497 138 A N 0.948 123.809 122.820 0.068 0.000 1.933 138 A HA -0.194 4.126 4.320 0.000 0.000 0.218 138 A C 2.474 180.138 177.584 0.133 0.000 1.175 138 A CA 1.755 53.865 52.037 0.122 0.000 0.628 138 A CB -0.677 18.534 19.000 0.352 0.000 0.814 138 A HN 0.500 nan 8.150 nan 0.000 0.444 139 M N -0.201 119.478 119.600 0.131 0.000 2.117 139 M HA -0.084 4.396 4.480 0.000 0.000 0.262 139 M C 2.289 178.626 176.300 0.062 0.000 1.065 139 M CA 2.064 57.450 55.300 0.143 0.000 1.114 139 M CB -0.533 32.174 32.600 0.179 0.000 1.361 139 M HN 0.395 nan 8.290 nan 0.000 0.408 140 S N -0.211 115.499 115.700 0.016 0.000 2.370 140 S HA -0.173 4.297 4.470 0.000 0.000 0.226 140 S C 2.062 176.611 174.600 -0.085 0.000 1.033 140 S CA 1.598 59.789 58.200 -0.014 0.000 1.011 140 S CB -0.202 63.024 63.200 0.044 0.000 0.852 140 S HN 0.610 nan 8.310 nan 0.000 0.457 141 R N 0.663 121.010 120.500 -0.256 0.000 2.091 141 R HA -0.041 4.299 4.340 0.000 0.000 0.238 141 R C 2.688 178.729 176.300 -0.432 0.000 1.136 141 R CA 1.389 57.206 56.100 -0.472 0.000 0.959 141 R CB -0.674 29.096 30.300 -0.883 0.000 0.856 141 R HN 0.513 nan 8.270 nan 0.000 0.437 142 A N 1.310 124.026 122.820 -0.174 0.000 1.883 142 A HA -0.173 4.147 4.320 0.000 0.000 0.217 142 A C 2.180 179.774 177.584 0.016 0.000 1.186 142 A CA 1.370 53.453 52.037 0.077 0.000 0.624 142 A CB -0.573 18.592 19.000 0.274 0.000 0.822 142 A HN 0.194 nan 8.150 nan 0.000 0.444 143 I N -1.008 119.536 120.570 -0.044 0.000 2.151 143 I HA -0.307 3.863 4.170 0.000 0.000 0.243 143 I C 2.528 178.530 176.117 -0.191 0.000 1.080 143 I CA 1.601 62.826 61.300 -0.124 0.000 1.339 143 I CB -0.529 37.322 38.000 -0.249 0.000 1.039 143 I HN 0.419 nan 8.210 nan 0.000 0.409 144 H N -0.243 118.799 119.070 -0.047 0.000 2.363 144 H HA -0.034 4.522 4.556 0.000 0.000 0.301 144 H C 2.361 177.639 175.328 -0.084 0.000 1.074 144 H CA 1.148 57.155 56.048 -0.068 0.000 1.354 144 H CB -0.179 29.522 29.762 -0.102 0.000 1.397 144 H HN 0.250 nan 8.280 nan 0.000 0.516 145 M N 0.471 120.048 119.600 -0.039 0.000 2.149 145 M HA -0.082 4.398 4.480 0.000 0.000 0.261 145 M C 2.530 178.849 176.300 0.032 0.000 1.064 145 M CA 1.065 56.335 55.300 -0.050 0.000 1.102 145 M CB -0.999 31.522 32.600 -0.131 0.000 1.369 145 M HN 0.217 nan 8.290 nan 0.000 0.408 146 A N -0.812 122.041 122.820 0.055 0.000 1.930 146 A HA -0.069 4.251 4.320 0.000 0.000 0.217 146 A C 2.435 180.051 177.584 0.052 0.000 1.175 146 A CA 1.904 53.987 52.037 0.076 0.000 0.627 146 A CB -0.538 18.518 19.000 0.094 0.000 0.815 146 A HN 0.487 nan 8.150 nan 0.000 0.443 147 S N -0.640 115.087 115.700 0.046 0.000 2.458 147 S HA 0.198 4.668 4.470 0.000 0.000 0.223 147 S C 0.871 175.493 174.600 0.036 0.000 1.019 147 S CA 0.066 58.295 58.200 0.048 0.000 0.937 147 S CB -0.215 63.022 63.200 0.063 0.000 0.788 147 S HN 0.532 nan 8.310 nan 0.000 0.511 148 M N 1.931 121.549 119.600 0.030 0.000 2.245 148 M HA 0.242 4.722 4.480 0.000 0.000 0.344 148 M C 0.329 176.608 176.300 -0.035 0.000 1.170 148 M CA -0.367 54.934 55.300 0.002 0.000 1.135 148 M CB 0.308 32.904 32.600 -0.008 0.000 1.574 148 M HN 0.152 nan 8.290 nan 0.000 0.452 149 A N 5.153 127.940 122.820 -0.055 0.000 2.477 149 A HA 0.383 4.703 4.320 0.000 0.000 0.246 149 A C -2.180 175.335 177.584 -0.116 0.000 1.078 149 A CA -1.108 50.866 52.037 -0.105 0.000 0.770 149 A CB -0.754 18.188 19.000 -0.096 0.000 1.011 149 A HN 0.521 nan 8.150 nan 0.000 0.494 150 P HA 0.146 nan 4.420 nan 0.000 0.282 150 P C -0.529 176.627 177.300 -0.239 0.000 1.274 150 P CA -0.100 62.793 63.100 -0.345 0.000 0.770 150 P CB 0.591 32.005 31.700 -0.477 0.000 0.867 151 Q N 1.207 120.893 119.800 -0.189 0.000 2.474 151 Q HA 0.497 4.837 4.340 0.000 0.000 0.256 151 Q C 0.705 176.697 176.000 -0.012 0.000 1.048 151 Q CA 0.365 56.135 55.803 -0.054 0.000 0.922 151 Q CB 0.424 29.158 28.738 -0.006 0.000 1.288 151 Q HN 0.746 nan 8.270 nan 0.000 0.484 152 G N 0.889 109.706 108.800 0.029 0.000 2.356 152 G HA2 0.295 4.255 3.960 0.000 0.000 0.294 152 G HA3 0.295 4.255 3.960 0.000 0.000 0.294 152 G C -3.112 171.865 174.900 0.127 0.000 1.423 152 G CA -0.936 44.194 45.100 0.050 0.000 0.806 152 G HN 0.363 nan 8.290 nan 0.000 0.527 153 P HA 0.471 nan 4.420 nan 0.000 0.275 153 P C 0.001 177.452 177.300 0.251 0.000 1.228 153 P CA -0.220 63.002 63.100 0.203 0.000 0.786 153 P CB 1.589 33.411 31.700 0.205 0.000 0.927 154 V N 0.452 120.508 119.914 0.237 0.000 3.102 154 V HA 0.670 4.790 4.120 0.000 0.000 0.312 154 V C -1.664 174.603 176.094 0.289 0.000 1.135 154 V CA -1.079 61.402 62.300 0.301 0.000 1.022 154 V CB 2.258 34.296 31.823 0.358 0.000 1.056 154 V HN 0.474 nan 8.190 nan 0.000 0.436 155 Y N 2.614 122.972 120.300 0.097 0.000 2.373 155 Y HA 0.820 5.370 4.550 0.000 0.000 0.336 155 Y C -1.357 174.522 175.900 -0.035 0.000 0.979 155 Y CA -1.141 56.961 58.100 0.005 0.000 1.080 155 Y CB 2.029 40.467 38.460 -0.037 0.000 1.190 155 Y HN 0.904 nan 8.280 nan 0.000 0.446 156 L N 5.452 126.439 121.223 -0.394 0.000 2.376 156 L HA 0.606 4.946 4.340 0.000 0.000 0.275 156 L C -0.982 175.572 176.870 -0.526 0.000 0.987 156 L CA -0.214 54.432 54.840 -0.322 0.000 0.828 156 L CB 1.845 43.868 42.059 -0.059 0.000 1.249 156 L HN 0.578 nan 8.230 nan 0.000 0.409 157 S N 4.323 119.761 115.700 -0.436 0.000 2.442 157 S HA 0.789 5.259 4.470 0.000 0.000 0.297 157 S C -0.997 173.488 174.600 -0.192 0.000 1.131 157 S CA -0.466 57.534 58.200 -0.333 0.000 1.092 157 S CB 0.852 63.909 63.200 -0.238 0.000 0.998 157 S HN 0.439 nan 8.310 nan 0.000 0.478 158 V N 7.824 127.667 119.914 -0.119 0.000 2.407 158 V HA 0.421 4.541 4.120 0.000 0.000 0.291 158 V C -2.389 173.669 176.094 -0.060 0.000 1.018 158 V CA -2.061 60.164 62.300 -0.126 0.000 0.842 158 V CB 1.503 33.238 31.823 -0.146 0.000 0.996 158 V HN 0.732 nan 8.190 nan 0.000 0.426 159 P HA -0.024 nan 4.420 nan 0.000 0.264 159 P C 0.256 177.543 177.300 -0.022 0.000 1.183 159 P CA 0.141 63.186 63.100 -0.091 0.000 0.763 159 P CB 0.191 31.796 31.700 -0.159 0.000 0.807 160 Y N 2.850 123.203 120.300 0.088 0.000 2.421 160 Y HA -0.131 4.419 4.550 -0.000 0.000 0.292 160 Y C 1.421 177.454 175.900 0.223 0.000 1.136 160 Y CA 1.179 59.424 58.100 0.241 0.000 1.255 160 Y CB -1.282 37.327 38.460 0.248 0.000 0.991 160 Y HN 0.284 nan 8.280 nan 0.000 0.552 161 D N -0.417 119.978 120.400 -0.009 0.000 2.363 161 D HA -0.148 4.492 4.640 0.000 0.000 0.220 161 D C 0.682 176.997 176.300 0.024 0.000 0.994 161 D CA 0.791 54.810 54.000 0.033 0.000 0.890 161 D CB -0.348 40.376 40.800 -0.128 0.000 0.906 161 D HN 0.367 nan 8.370 nan 0.000 0.530 162 D N 0.439 120.777 120.400 -0.103 0.000 2.183 162 D HA -0.092 4.548 4.640 0.000 0.000 0.203 162 D C 1.607 177.842 176.300 -0.108 0.000 0.969 162 D CA 0.634 54.504 54.000 -0.215 0.000 0.842 162 D CB -0.551 39.981 40.800 -0.446 0.000 0.957 162 D HN 0.434 nan 8.370 nan 0.000 0.484 163 W N 1.334 122.744 121.300 0.183 0.000 2.388 163 W HA -0.065 4.595 4.660 -0.000 0.000 0.294 163 W C 1.642 178.282 176.519 0.202 0.000 1.212 163 W CA 0.355 57.844 57.345 0.240 0.000 1.271 163 W CB -0.039 29.625 29.460 0.340 0.000 1.126 163 W HN -0.124 nan 8.180 nan 0.000 0.535 164 D N -0.046 120.559 120.400 0.343 0.000 2.355 164 D HA -0.033 4.607 4.640 0.000 0.000 0.218 164 D C 0.865 177.255 176.300 0.151 0.000 1.004 164 D CA 0.746 54.874 54.000 0.213 0.000 0.880 164 D CB -0.153 40.745 40.800 0.163 0.000 0.911 164 D HN -0.022 nan 8.370 nan 0.000 0.528 165 K N 1.411 121.889 120.400 0.130 0.000 2.180 165 K HA 0.099 4.419 4.320 0.000 0.000 0.251 165 K C 0.057 176.715 176.600 0.096 0.000 1.014 165 K CA -0.389 55.949 56.287 0.084 0.000 0.913 165 K CB 0.517 33.043 32.500 0.043 0.000 1.008 165 K HN -0.088 nan 8.250 nan 0.000 0.490 166 D N 0.649 121.094 120.400 0.075 0.000 2.424 166 D HA 0.147 4.787 4.640 0.000 0.000 0.244 166 D C 0.009 176.357 176.300 0.079 0.000 1.134 166 D CA 0.170 54.217 54.000 0.079 0.000 0.881 166 D CB 0.707 41.543 40.800 0.060 0.000 1.191 166 D HN 0.456 nan 8.370 nan 0.000 0.445 167 A N 2.005 124.886 122.820 0.101 0.000 2.322 167 A HA 0.185 4.505 4.320 0.000 0.000 0.269 167 A C 0.264 177.895 177.584 0.078 0.000 1.094 167 A CA -0.585 51.513 52.037 0.100 0.000 0.807 167 A CB 0.438 19.522 19.000 0.140 0.000 1.047 167 A HN 0.491 nan 8.150 nan 0.000 0.487 168 D N 1.300 121.738 120.400 0.063 0.000 2.450 168 D HA 0.158 4.798 4.640 0.000 0.000 0.247 168 D C -1.600 174.736 176.300 0.059 0.000 1.162 168 D CA -1.443 52.585 54.000 0.047 0.000 0.879 168 D CB 0.935 41.750 40.800 0.025 0.000 1.163 168 D HN 0.119 nan 8.370 nan 0.000 0.472 169 P HA -0.087 nan 4.420 nan 0.000 0.225 169 P C 0.895 178.275 177.300 0.133 0.000 1.148 169 P CA 0.712 63.870 63.100 0.097 0.000 0.779 169 P CB 0.266 32.017 31.700 0.085 0.000 0.780 170 Q N -0.879 118.963 119.800 0.070 0.000 2.482 170 Q HA 0.069 4.409 4.340 0.000 0.000 0.209 170 Q C 1.792 177.723 176.000 -0.116 0.000 0.961 170 Q CA 0.593 56.409 55.803 0.022 0.000 0.945 170 Q CB -0.561 28.199 28.738 0.037 0.000 1.012 170 Q HN 0.267 nan 8.270 nan 0.000 0.515 171 S N 0.706 116.351 115.700 -0.092 0.000 2.419 171 S HA -0.157 4.313 4.470 0.000 0.000 0.235 171 S C 1.630 175.912 174.600 -0.530 0.000 1.019 171 S CA 1.132 59.224 58.200 -0.180 0.000 0.982 171 S CB -0.426 62.746 63.200 -0.047 0.000 0.789 171 S HN 0.627 nan 8.310 nan 0.000 0.490 172 H N 0.922 119.636 119.070 -0.594 0.000 2.460 172 H HA -0.123 4.433 4.556 0.000 0.000 0.297 172 H C 1.384 176.269 175.328 -0.739 0.000 1.103 172 H CA 1.578 57.015 56.048 -1.019 0.000 1.292 172 H CB -0.756 28.729 29.762 -0.462 0.000 1.376 172 H HN 0.531 nan 8.280 nan 0.000 0.531 173 H N 0.927 119.495 119.070 -0.837 0.000 2.518 173 H HA 0.001 4.557 4.556 0.000 0.000 0.289 173 H C 2.426 177.600 175.328 -0.257 0.000 1.051 173 H CA 0.989 56.764 56.048 -0.455 0.000 1.280 173 H CB 0.287 29.814 29.762 -0.391 0.000 1.380 173 H HN 0.410 nan 8.280 nan 0.000 0.566 174 L N -0.497 120.604 121.223 -0.202 0.000 2.240 174 L HA -0.096 4.244 4.340 0.000 0.000 0.211 174 L C 2.102 179.025 176.870 0.088 0.000 1.106 174 L CA 0.309 55.128 54.840 -0.035 0.000 0.793 174 L CB -0.402 41.658 42.059 0.002 0.000 0.927 174 L HN 0.051 nan 8.230 nan 0.000 0.446 175 F N 0.540 120.522 119.950 0.054 0.000 2.102 175 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 175 F C 1.817 177.616 175.800 -0.000 0.000 1.105 175 F CA 1.033 59.059 58.000 0.043 0.000 1.239 175 F CB -0.580 38.454 39.000 0.055 0.000 0.991 175 F HN 0.118 nan 8.300 nan 0.000 0.474 176 D N -0.316 120.179 120.400 0.159 0.000 2.463 176 D HA 0.069 4.709 4.640 0.000 0.000 0.224 176 D C 0.272 176.405 176.300 -0.278 0.000 1.174 176 D CA -0.038 53.937 54.000 -0.041 0.000 0.829 176 D CB -0.056 40.770 40.800 0.044 0.000 0.993 176 D HN 0.109 nan 8.370 nan 0.000 0.497 177 R N 1.152 121.580 120.500 -0.119 0.000 2.522 177 R HA 0.098 4.438 4.340 0.000 0.000 0.284 177 R C 0.083 176.243 176.300 -0.233 0.000 1.032 177 R CA 0.329 56.350 56.100 -0.132 0.000 1.049 177 R CB 0.448 30.728 30.300 -0.034 0.000 0.956 177 R HN 0.151 nan 8.270 nan 0.000 0.422 178 H N 1.944 121.032 119.070 0.030 0.000 2.481 178 H HA 0.289 4.845 4.556 0.000 0.000 0.333 178 H C -0.608 174.688 175.328 -0.052 0.000 1.066 178 H CA -0.651 55.416 56.048 0.031 0.000 1.209 178 H CB 1.720 31.501 29.762 0.031 0.000 1.445 178 H HN 0.189 nan 8.280 nan 0.000 0.488 179 V N 2.561 122.498 119.914 0.039 0.000 2.444 179 V HA 0.186 4.306 4.120 0.000 0.000 0.294 179 V C 0.251 176.358 176.094 0.022 0.000 1.022 179 V CA -0.596 61.675 62.300 -0.048 0.000 0.850 179 V CB 1.793 33.498 31.823 -0.197 0.000 0.992 179 V HN 0.713 nan 8.190 nan 0.000 0.426 180 S N 2.740 118.444 115.700 0.006 0.000 2.454 180 S HA 0.522 4.992 4.470 0.000 0.000 0.306 180 S C 0.568 175.163 174.600 -0.007 0.000 1.100 180 S CA -0.059 58.146 58.200 0.009 0.000 1.087 180 S CB 1.465 64.667 63.200 0.004 0.000 1.019 180 S HN 0.950 nan 8.310 nan 0.000 0.480 181 S N 2.566 118.262 115.700 -0.006 0.000 2.741 181 S HA 0.200 4.670 4.470 0.000 0.000 0.247 181 S C 0.270 174.860 174.600 -0.018 0.000 1.050 181 S CA -0.471 57.718 58.200 -0.018 0.000 1.025 181 S CB 0.331 63.516 63.200 -0.025 0.000 0.897 181 S HN 0.500 nan 8.310 nan 0.000 0.508 182 S N 2.725 118.418 115.700 -0.012 0.000 4.139 182 S HA 0.409 4.879 4.470 0.000 0.000 0.215 182 S C 0.209 174.800 174.600 -0.014 0.000 1.390 182 S CA -0.421 57.773 58.200 -0.011 0.000 0.885 182 S CB -1.166 62.030 63.200 -0.007 0.000 1.560 182 S HN 0.635 nan 8.310 nan 0.000 0.449 183 V N 2.629 122.533 119.914 -0.017 0.000 2.815 183 V HA 0.977 5.097 4.120 0.000 0.000 0.314 183 V C -0.607 175.478 176.094 -0.017 0.000 1.064 183 V CA -1.309 60.981 62.300 -0.017 0.000 0.952 183 V CB 1.798 33.609 31.823 -0.020 0.000 1.020 183 V HN 0.698 nan 8.190 nan 0.000 0.439 184 R N 2.623 123.115 120.500 -0.014 0.000 2.855 184 R HA 0.781 5.121 4.340 0.000 0.000 0.266 184 R C -0.935 175.358 176.300 -0.012 0.000 1.034 184 R CA -1.074 55.018 56.100 -0.013 0.000 0.944 184 R CB 0.605 30.899 30.300 -0.010 0.000 1.219 184 R HN 0.752 nan 8.270 nan 0.000 0.474 185 L N 2.147 123.363 121.223 -0.011 0.000 2.525 185 L HA 0.150 4.490 4.340 0.000 0.000 0.278 185 L C -0.394 176.471 176.870 -0.009 0.000 1.218 185 L CA 0.492 55.326 54.840 -0.011 0.000 0.878 185 L CB -0.163 41.890 42.059 -0.010 0.000 1.127 185 L HN 0.917 nan 8.230 nan 0.000 0.492 186 N N 2.019 120.714 118.700 -0.009 0.000 2.329 186 N HA -0.089 4.651 4.740 0.000 0.000 0.237 186 N C 0.468 175.974 175.510 -0.006 0.000 1.258 186 N CA 0.196 53.242 53.050 -0.007 0.000 0.866 186 N CB 0.254 38.737 38.487 -0.007 0.000 1.102 186 N HN 0.602 nan 8.380 nan 0.000 0.440 187 D N 0.598 120.995 120.400 -0.005 0.000 2.133 187 D HA -0.223 4.417 4.640 0.000 0.000 0.192 187 D C 1.565 177.863 176.300 -0.003 0.000 1.001 187 D CA 1.714 55.712 54.000 -0.003 0.000 0.844 187 D CB -0.236 40.562 40.800 -0.003 0.000 0.944 187 D HN 0.701 nan 8.370 nan 0.000 0.447 188 Q N -0.006 119.792 119.800 -0.003 0.000 2.050 188 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 188 Q C 1.603 177.602 176.000 -0.002 0.000 0.980 188 Q CA 1.193 56.994 55.803 -0.002 0.000 0.840 188 Q CB 0.003 28.739 28.738 -0.003 0.000 0.898 188 Q HN 0.315 nan 8.270 nan 0.000 0.424 189 D N 0.348 120.746 120.400 -0.003 0.000 2.194 189 D HA -0.092 4.548 4.640 0.000 0.000 0.204 189 D C 1.818 178.116 176.300 -0.003 0.000 0.964 189 D CA 0.415 54.413 54.000 -0.004 0.000 0.846 189 D CB -0.022 40.775 40.800 -0.005 0.000 0.962 189 D HN 0.081 nan 8.370 nan 0.000 0.490 190 L N 1.276 122.497 121.223 -0.003 0.000 2.083 190 L HA -0.150 4.190 4.340 0.000 0.000 0.209 190 L C 1.660 178.530 176.870 0.000 0.000 1.083 190 L CA 1.741 56.580 54.840 -0.002 0.000 0.752 190 L CB -0.558 41.500 42.059 -0.002 0.000 0.899 190 L HN -0.155 nan 8.230 nan 0.000 0.433 191 D N -0.778 119.622 120.400 0.000 0.000 2.117 191 D HA -0.214 4.426 4.640 0.000 0.000 0.197 191 D C 2.177 178.479 176.300 0.002 0.000 0.987 191 D CA 1.575 55.576 54.000 0.002 0.000 0.829 191 D CB -0.088 40.713 40.800 0.001 0.000 0.961 191 D HN 0.475 nan 8.370 nan 0.000 0.460 192 I N -0.150 120.421 120.570 0.001 0.000 2.179 192 I HA -0.201 3.969 4.170 0.000 0.000 0.242 192 I C 2.249 178.367 176.117 0.003 0.000 1.088 192 I CA 0.445 61.746 61.300 0.002 0.000 1.357 192 I CB -0.251 37.749 38.000 0.000 0.000 1.051 192 I HN 0.161 nan 8.210 nan 0.000 0.409 193 L N 0.552 121.776 121.223 0.002 0.000 2.017 193 L HA -0.162 4.178 4.340 0.000 0.000 0.208 193 L C 2.435 179.309 176.870 0.006 0.000 1.073 193 L CA 1.821 56.663 54.840 0.003 0.000 0.745 193 L CB -0.599 41.461 42.059 0.001 0.000 0.894 193 L HN -0.015 nan 8.230 nan 0.000 0.432 194 V N -0.107 119.810 119.914 0.006 0.000 2.332 194 V HA -0.351 3.769 4.120 0.000 0.000 0.248 194 V C 2.642 178.742 176.094 0.009 0.000 1.055 194 V CA 2.206 64.511 62.300 0.008 0.000 1.038 194 V CB -0.734 31.093 31.823 0.007 0.000 0.651 194 V HN 0.479 nan 8.190 nan 0.000 0.450 195 K N 0.023 120.428 120.400 0.008 0.000 2.063 195 K HA -0.177 4.143 4.320 0.000 0.000 0.208 195 K C 2.285 178.891 176.600 0.011 0.000 1.048 195 K CA 1.552 57.845 56.287 0.009 0.000 0.928 195 K CB -0.423 32.081 32.500 0.007 0.000 0.713 195 K HN 0.502 nan 8.250 nan 0.000 0.442 196 A N 1.165 123.992 122.820 0.010 0.000 1.930 196 A HA -0.113 4.207 4.320 0.000 0.000 0.217 196 A C 2.078 179.672 177.584 0.017 0.000 1.175 196 A CA 1.178 53.222 52.037 0.013 0.000 0.627 196 A CB -0.503 18.503 19.000 0.011 0.000 0.815 196 A HN 0.149 nan 8.150 nan 0.000 0.443 197 L N -0.409 120.824 121.223 0.016 0.000 2.056 197 L HA -0.163 4.177 4.340 0.000 0.000 0.207 197 L C 2.217 179.100 176.870 0.021 0.000 1.078 197 L CA 1.090 55.942 54.840 0.020 0.000 0.749 197 L CB -0.685 41.385 42.059 0.018 0.000 0.901 197 L HN 0.319 nan 8.230 nan 0.000 0.433 198 N N -0.210 118.501 118.700 0.018 0.000 2.149 198 N HA -0.142 4.598 4.740 0.000 0.000 0.188 198 N C 1.915 177.437 175.510 0.019 0.000 1.019 198 N CA 1.496 54.557 53.050 0.018 0.000 0.857 198 N CB -0.215 38.280 38.487 0.014 0.000 0.997 198 N HN 0.191 nan 8.380 nan 0.000 0.426 199 S N 0.107 115.818 115.700 0.018 0.000 2.496 199 S HA 0.220 4.690 4.470 0.000 0.000 0.224 199 S C 0.881 175.494 174.600 0.022 0.000 0.996 199 S CA -0.178 58.032 58.200 0.017 0.000 0.927 199 S CB 0.058 63.266 63.200 0.015 0.000 0.774 199 S HN 0.442 nan 8.310 nan 0.000 0.524 200 A N 1.947 124.783 122.820 0.027 0.000 2.498 200 A HA 0.326 4.646 4.320 0.000 0.000 0.239 200 A C 1.387 178.993 177.584 0.037 0.000 1.068 200 A CA 0.201 52.259 52.037 0.035 0.000 0.766 200 A CB 0.195 19.222 19.000 0.045 0.000 1.003 200 A HN 0.405 nan 8.150 nan 0.000 0.497 201 S N 0.840 116.562 115.700 0.037 0.000 2.470 201 S HA 0.042 4.512 4.470 0.000 0.000 0.222 201 S C 0.648 175.276 174.600 0.046 0.000 1.024 201 S CA 0.787 59.007 58.200 0.033 0.000 0.931 201 S CB -0.073 63.139 63.200 0.021 0.000 0.791 201 S HN 0.773 nan 8.310 nan 0.000 0.513 202 N N 2.053 120.796 118.700 0.072 0.000 2.673 202 N HA 0.384 5.124 4.740 0.000 0.000 0.265 202 N C -3.270 172.390 175.510 0.250 0.000 1.709 202 N CA -1.681 51.444 53.050 0.124 0.000 0.792 202 N CB 1.333 39.847 38.487 0.044 0.000 1.286 202 N HN 0.162 nan 8.380 nan 0.000 0.506 203 P HA 0.339 nan 4.420 nan 0.000 0.274 203 P C -0.976 176.373 177.300 0.081 0.000 1.231 203 P CA -0.315 62.860 63.100 0.125 0.000 0.790 203 P CB 1.442 33.181 31.700 0.065 0.000 0.951 204 A N 2.552 125.354 122.820 -0.029 0.000 2.413 204 A HA 0.763 5.083 4.320 0.000 0.000 0.307 204 A C -0.680 176.887 177.584 -0.028 0.000 1.087 204 A CA -0.854 51.106 52.037 -0.129 0.000 0.750 204 A CB 1.016 19.800 19.000 -0.359 0.000 1.296 204 A HN 0.445 nan 8.150 nan 0.000 0.423 205 I N 1.180 121.738 120.570 -0.020 0.000 2.474 205 I HA 0.511 4.681 4.170 0.000 0.000 0.294 205 I C -0.940 175.197 176.117 0.034 0.000 1.005 205 I CA -0.939 60.352 61.300 -0.015 0.000 1.113 205 I CB 2.165 40.121 38.000 -0.073 0.000 1.289 205 I HN 0.302 nan 8.210 nan 0.000 0.436 206 V N 6.988 126.932 119.914 0.050 0.000 2.444 206 V HA 0.486 4.606 4.120 0.000 0.000 0.294 206 V C -0.263 175.864 176.094 0.054 0.000 1.022 206 V CA -0.515 61.828 62.300 0.072 0.000 0.850 206 V CB 1.841 33.726 31.823 0.103 0.000 0.992 206 V HN 0.462 nan 8.190 nan 0.000 0.426 207 L N 3.979 125.227 121.223 0.041 0.000 2.346 207 L HA 0.904 5.244 4.340 0.000 0.000 0.274 207 L C 0.701 177.613 176.870 0.070 0.000 1.007 207 L CA -0.282 54.592 54.840 0.057 0.000 0.818 207 L CB 1.996 44.097 42.059 0.070 0.000 1.284 207 L HN 0.756 nan 8.230 nan 0.000 0.424 208 G N 0.862 109.708 108.800 0.076 0.000 3.016 208 G HA2 0.531 4.491 3.960 0.000 0.000 0.270 208 G HA3 0.531 4.491 3.960 0.000 0.000 0.270 208 G C -2.186 172.772 174.900 0.098 0.000 1.352 208 G CA -0.912 44.236 45.100 0.080 0.000 1.060 208 G HN 0.406 nan 8.290 nan 0.000 0.538 209 P HA -0.020 nan 4.420 nan 0.000 0.221 209 P C 0.531 177.901 177.300 0.116 0.000 1.150 209 P CA 0.871 64.044 63.100 0.122 0.000 0.800 209 P CB 0.326 32.100 31.700 0.123 0.000 0.787 210 D N -0.309 120.157 120.400 0.110 0.000 2.350 210 D HA -0.056 4.584 4.640 0.000 0.000 0.216 210 D C 1.981 178.320 176.300 0.066 0.000 0.968 210 D CA 0.534 54.589 54.000 0.093 0.000 0.894 210 D CB -0.218 40.628 40.800 0.076 0.000 0.909 210 D HN 0.063 nan 8.370 nan 0.000 0.520 211 V N 1.077 121.034 119.914 0.072 0.000 2.307 211 V HA -0.236 3.884 4.120 0.000 0.000 0.245 211 V C 2.206 178.338 176.094 0.064 0.000 1.045 211 V CA 1.820 64.160 62.300 0.066 0.000 1.024 211 V CB -0.349 31.525 31.823 0.084 0.000 0.651 211 V HN 0.068 nan 8.190 nan 0.000 0.449 212 D N 0.086 120.532 120.400 0.077 0.000 2.117 212 D HA -0.118 4.522 4.640 0.000 0.000 0.198 212 D C 2.130 178.473 176.300 0.072 0.000 0.982 212 D CA 1.413 55.453 54.000 0.066 0.000 0.828 212 D CB -0.171 40.667 40.800 0.064 0.000 0.967 212 D HN 0.349 nan 8.370 nan 0.000 0.464 213 A N 0.372 123.245 122.820 0.088 0.000 1.940 213 A HA -0.037 4.283 4.320 0.000 0.000 0.219 213 A C 2.247 179.864 177.584 0.055 0.000 1.176 213 A CA 2.137 54.226 52.037 0.086 0.000 0.631 213 A CB -0.877 18.178 19.000 0.093 0.000 0.814 213 A HN 0.312 nan 8.150 nan 0.000 0.446 214 A N -1.568 121.277 122.820 0.042 0.000 2.238 214 A HA 0.199 4.519 4.320 0.000 0.000 0.208 214 A C 1.002 178.599 177.584 0.022 0.000 1.177 214 A CA 0.839 52.892 52.037 0.026 0.000 0.804 214 A CB -0.470 18.541 19.000 0.018 0.000 0.823 214 A HN 0.613 nan 8.150 nan 0.000 0.482 215 N N -2.093 116.623 118.700 0.026 0.000 2.721 215 N HA -0.225 4.515 4.740 0.000 0.000 0.249 215 N C 0.522 176.037 175.510 0.010 0.000 1.072 215 N CA 0.944 54.003 53.050 0.015 0.000 0.710 215 N CB -1.395 37.097 38.487 0.008 0.000 0.993 215 N HN 0.592 nan 8.380 nan 0.000 0.547 216 A N -0.870 121.961 122.820 0.019 0.000 2.307 216 A HA 0.153 4.473 4.320 0.000 0.000 0.218 216 A C 1.684 179.280 177.584 0.020 0.000 1.228 216 A CA 0.524 52.572 52.037 0.019 0.000 0.857 216 A CB -0.055 18.961 19.000 0.027 0.000 0.897 216 A HN 0.488 nan 8.150 nan 0.000 0.495 217 N N 1.650 120.355 118.700 0.008 0.000 2.069 217 N HA -0.158 4.582 4.740 0.000 0.000 0.191 217 N C 1.821 177.292 175.510 -0.065 0.000 1.031 217 N CA 1.862 54.905 53.050 -0.012 0.000 0.852 217 N CB -0.454 38.004 38.487 -0.049 0.000 1.018 217 N HN 0.447 nan 8.380 nan 0.000 0.423 218 A N 0.981 123.759 122.820 -0.069 0.000 1.902 218 A HA -0.146 4.174 4.320 0.000 0.000 0.217 218 A C 1.667 179.222 177.584 -0.048 0.000 1.181 218 A CA 1.616 53.604 52.037 -0.083 0.000 0.623 218 A CB -0.494 18.471 19.000 -0.059 0.000 0.818 218 A HN 0.140 nan 8.150 nan 0.000 0.443 219 D N -0.401 119.989 120.400 -0.016 0.000 2.144 219 D HA -0.122 4.518 4.640 0.000 0.000 0.199 219 D C 1.985 178.302 176.300 0.028 0.000 0.984 219 D CA 1.372 55.375 54.000 0.004 0.000 0.834 219 D CB -0.522 40.284 40.800 0.009 0.000 0.955 219 D HN 0.456 nan 8.370 nan 0.000 0.465 220 C N 0.261 119.592 119.300 0.053 0.000 2.435 220 C HA -0.042 4.418 4.460 0.000 0.000 0.279 220 C C 2.924 178.028 174.990 0.190 0.000 1.321 220 C CA -0.010 59.084 59.018 0.127 0.000 1.752 220 C CB -0.746 27.110 27.740 0.193 0.000 1.959 220 C HN 0.165 nan 8.230 nan 0.000 0.500 221 V N 0.910 120.849 119.914 0.042 0.000 2.295 221 V HA -0.285 3.835 4.120 0.000 0.000 0.246 221 V C 2.474 178.568 176.094 0.001 0.000 1.049 221 V CA 2.404 64.637 62.300 -0.110 0.000 1.024 221 V CB -0.657 30.937 31.823 -0.381 0.000 0.648 221 V HN 0.536 nan 8.190 nan 0.000 0.447 222 M N -0.106 119.498 119.600 0.007 0.000 2.117 222 M HA -0.140 4.340 4.480 0.000 0.000 0.262 222 M C 1.853 178.181 176.300 0.046 0.000 1.065 222 M CA 1.900 57.217 55.300 0.028 0.000 1.114 222 M CB -0.688 31.921 32.600 0.016 0.000 1.361 222 M HN 0.271 nan 8.290 nan 0.000 0.408 223 L N 0.556 121.809 121.223 0.050 0.000 2.012 223 L HA -0.028 4.312 4.340 0.000 0.000 0.210 223 L C 2.375 179.279 176.870 0.057 0.000 1.073 223 L CA 2.400 57.269 54.840 0.049 0.000 0.748 223 L CB -1.446 40.641 42.059 0.046 0.000 0.891 223 L HN 0.374 nan 8.230 nan 0.000 0.431 224 A N -0.974 121.893 122.820 0.079 0.000 1.933 224 A HA -0.228 4.092 4.320 0.000 0.000 0.218 224 A C 2.163 179.806 177.584 0.097 0.000 1.175 224 A CA 1.823 53.903 52.037 0.072 0.000 0.628 224 A CB -0.634 18.418 19.000 0.086 0.000 0.814 224 A HN 0.629 nan 8.150 nan 0.000 0.444 225 E N -0.675 119.598 120.200 0.122 0.000 2.051 225 E HA -0.166 4.184 4.350 0.000 0.000 0.192 225 E C 2.366 179.013 176.600 0.078 0.000 0.991 225 E CA 0.849 57.326 56.400 0.128 0.000 0.799 225 E CB -0.156 29.626 29.700 0.137 0.000 0.748 225 E HN 0.376 nan 8.360 nan 0.000 0.449 226 R N 0.453 120.990 120.500 0.060 0.000 2.091 226 R HA -0.097 4.243 4.340 0.000 0.000 0.238 226 R C 2.312 178.636 176.300 0.040 0.000 1.136 226 R CA 0.970 57.096 56.100 0.044 0.000 0.959 226 R CB -0.469 29.852 30.300 0.035 0.000 0.856 226 R HN 0.264 nan 8.270 nan 0.000 0.437 227 L N 1.018 122.266 121.223 0.042 0.000 2.554 227 L HA 0.030 4.370 4.340 0.000 0.000 0.226 227 L C 0.231 177.125 176.870 0.040 0.000 1.137 227 L CA 0.162 55.024 54.840 0.037 0.000 0.863 227 L CB -0.047 42.031 42.059 0.031 0.000 0.985 227 L HN 0.057 nan 8.230 nan 0.000 0.451 228 K N -0.299 120.130 120.400 0.048 0.000 3.096 228 K HA -0.177 4.143 4.320 0.000 0.000 0.266 228 K C 0.001 176.624 176.600 0.039 0.000 1.043 228 K CA 0.849 57.165 56.287 0.049 0.000 0.758 228 K CB -2.018 30.506 32.500 0.041 0.000 1.260 228 K HN 0.331 nan 8.250 nan 0.000 0.481 229 A N 1.166 124.002 122.820 0.025 0.000 2.324 229 A HA 0.672 4.992 4.320 0.000 0.000 0.330 229 A C -2.079 175.457 177.584 -0.080 0.000 1.165 229 A CA -1.453 50.578 52.037 -0.010 0.000 0.813 229 A CB 0.987 19.977 19.000 -0.016 0.000 1.197 229 A HN -0.023 nan 8.150 nan 0.000 0.484 230 P HA 0.316 nan 4.420 nan 0.000 0.272 230 P C -0.796 176.233 177.300 -0.451 0.000 1.223 230 P CA -0.029 62.856 63.100 -0.359 0.000 0.784 230 P CB 1.039 32.440 31.700 -0.498 0.000 0.923 231 V N 3.099 122.638 119.914 -0.625 0.000 2.483 231 V HA 0.346 4.466 4.120 0.000 0.000 0.297 231 V C -0.143 175.523 176.094 -0.713 0.000 1.027 231 V CA -0.485 61.468 62.300 -0.578 0.000 0.855 231 V CB 1.751 33.058 31.823 -0.859 0.000 0.995 231 V HN 0.615 nan 8.190 nan 0.000 0.424 232 W N 2.705 123.768 121.300 -0.395 0.000 2.578 232 W HA 0.681 5.341 4.660 -0.000 0.000 0.353 232 W C -0.651 175.686 176.519 -0.303 0.000 1.088 232 W CA -0.721 56.357 57.345 -0.445 0.000 1.235 232 W CB 2.142 31.369 29.460 -0.388 0.000 1.362 232 W HN 0.263 nan 8.180 nan 0.000 0.592 233 V N 2.302 122.164 119.914 -0.087 0.000 2.439 233 V HA 0.343 4.463 4.120 0.000 0.000 0.282 233 V C 0.692 176.683 176.094 -0.173 0.000 1.039 233 V CA -0.908 61.331 62.300 -0.102 0.000 0.913 233 V CB 0.421 32.099 31.823 -0.241 0.000 0.983 233 V HN 0.585 nan 8.190 nan 0.000 0.460 234 A N 8.417 131.178 122.820 -0.098 0.000 2.547 234 A HA 0.387 4.707 4.320 0.000 0.000 0.233 234 A C -1.820 175.658 177.584 -0.177 0.000 1.067 234 A CA -0.605 51.362 52.037 -0.117 0.000 0.763 234 A CB -0.423 18.600 19.000 0.039 0.000 1.007 234 A HN 0.705 nan 8.150 nan 0.000 0.506 235 P HA 0.123 nan 4.420 nan 0.000 0.270 235 P C -0.049 177.189 177.300 -0.104 0.000 1.223 235 P CA 0.449 63.437 63.100 -0.187 0.000 0.785 235 P CB 0.557 32.155 31.700 -0.169 0.000 0.923 236 S N -1.890 113.747 115.700 -0.106 0.000 3.698 236 S HA -0.167 4.303 4.470 0.000 0.000 0.338 236 S C 0.601 175.209 174.600 0.014 0.000 1.089 236 S CA 0.679 58.856 58.200 -0.038 0.000 0.991 236 S CB -2.239 60.998 63.200 0.060 0.000 0.909 236 S HN 0.947 nan 8.310 nan 0.000 0.485 237 A N 0.917 123.701 122.820 -0.060 0.000 2.537 237 A HA 0.406 4.726 4.320 0.000 0.000 0.260 237 A C -0.508 177.296 177.584 0.367 0.000 1.082 237 A CA -0.621 51.480 52.037 0.106 0.000 0.765 237 A CB 0.087 19.103 19.000 0.027 0.000 1.019 237 A HN 0.299 nan 8.150 nan 0.000 0.507 238 P HA 0.028 nan 4.420 nan 0.000 0.227 238 P C 0.292 177.817 177.300 0.375 0.000 1.161 238 P CA 0.945 64.268 63.100 0.372 0.000 0.788 238 P CB 0.328 32.133 31.700 0.176 0.000 0.822 239 R N -2.484 118.237 120.500 0.369 0.000 2.846 239 R HA 0.590 4.930 4.340 0.000 0.000 0.263 239 R C -1.355 175.162 176.300 0.362 0.000 1.080 239 R CA -0.830 55.429 56.100 0.265 0.000 0.961 239 R CB 1.103 31.465 30.300 0.104 0.000 1.231 239 R HN -0.150 nan 8.270 nan 0.000 0.465 240 C N 2.789 122.212 119.300 0.205 0.000 2.293 240 C HA 0.512 4.972 4.460 0.000 0.000 0.323 240 C C -1.768 173.300 174.990 0.131 0.000 1.240 240 C CA -1.930 57.220 59.018 0.220 0.000 1.497 240 C CB 0.794 28.527 27.740 -0.012 0.000 2.171 240 C HN 0.626 nan 8.230 nan 0.000 0.465 241 P HA 0.215 nan 4.420 nan 0.000 0.262 241 P C -0.290 177.136 177.300 0.210 0.000 1.304 241 P CA 0.295 63.491 63.100 0.159 0.000 0.859 241 P CB 0.048 31.851 31.700 0.171 0.000 1.310 242 F N 0.943 120.848 119.950 -0.074 0.000 2.665 242 F HA 0.456 4.983 4.527 0.000 0.000 0.308 242 F C -2.742 172.864 175.800 -0.322 0.000 1.112 242 F CA -2.333 55.567 58.000 -0.167 0.000 0.972 242 F CB 1.797 40.737 39.000 -0.101 0.000 1.295 242 F HN -0.364 nan 8.300 nan 0.000 0.440 243 P HA 0.116 nan 4.420 nan 0.000 0.266 243 P C 0.469 177.559 177.300 -0.349 0.000 1.215 243 P CA 0.162 63.053 63.100 -0.350 0.000 0.763 243 P CB 0.638 32.151 31.700 -0.312 0.000 0.806 244 T N 0.466 114.782 114.554 -0.397 0.000 3.113 244 T HA -0.012 4.338 4.350 0.000 0.000 0.263 244 T C 1.135 175.809 174.700 -0.042 0.000 1.143 244 T CA 0.670 62.464 62.100 -0.511 0.000 1.090 244 T CB -0.251 68.455 68.868 -0.270 0.000 0.922 244 T HN 0.169 nan 8.240 nan 0.000 0.521 245 R N 0.343 120.841 120.500 -0.004 0.000 2.472 245 R HA 0.215 4.555 4.340 0.000 0.000 0.279 245 R C 0.355 176.711 176.300 0.093 0.000 0.953 245 R CA -0.324 55.815 56.100 0.065 0.000 1.088 245 R CB -0.381 29.929 30.300 0.017 0.000 1.197 245 R HN 0.595 nan 8.270 nan 0.000 0.536 246 H N 2.314 121.408 119.070 0.040 0.000 2.897 246 H HA 0.023 4.579 4.556 0.000 0.000 0.347 246 H C -1.518 173.901 175.328 0.151 0.000 1.068 246 H CA -0.992 55.104 56.048 0.080 0.000 1.426 246 H CB 1.601 31.416 29.762 0.087 0.000 1.410 246 H HN -0.186 nan 8.280 nan 0.000 0.597 247 P HA -0.150 nan 4.420 nan 0.000 0.216 247 P C 1.350 178.732 177.300 0.137 0.000 1.150 247 P CA 1.318 64.402 63.100 -0.028 0.000 0.843 247 P CB 0.037 31.646 31.700 -0.153 0.000 0.787 248 C N -3.122 116.419 119.300 0.401 0.000 2.481 248 C HA 0.109 4.569 4.460 0.000 0.000 0.275 248 C C 1.245 176.260 174.990 0.041 0.000 1.419 248 C CA -0.628 58.520 59.018 0.216 0.000 1.773 248 C CB -1.952 25.942 27.740 0.257 0.000 1.862 248 C HN 0.096 nan 8.230 nan 0.000 0.530 249 F N 2.107 122.081 119.950 0.040 0.000 2.495 249 F HA 0.240 4.767 4.527 0.000 0.000 0.365 249 F C 1.271 176.911 175.800 -0.266 0.000 1.090 249 F CA 0.031 57.956 58.000 -0.125 0.000 1.235 249 F CB 0.440 39.507 39.000 0.112 0.000 1.119 249 F HN -0.026 nan 8.300 nan 0.000 0.562 250 R N 3.491 123.290 120.500 -1.168 0.000 2.476 250 R HA 0.341 4.681 4.340 0.000 0.000 0.276 250 R C 0.617 176.318 176.300 -0.999 0.000 0.941 250 R CA 0.382 55.835 56.100 -1.078 0.000 1.088 250 R CB -0.003 29.341 30.300 -1.593 0.000 1.216 250 R HN 0.957 nan 8.270 nan 0.000 0.533 251 G N 1.198 109.069 108.800 -1.549 0.000 2.549 251 G HA2 -0.237 3.723 3.960 0.000 0.000 0.404 251 G HA3 -0.237 3.723 3.960 0.000 0.000 0.404 251 G C -1.245 173.305 174.900 -0.583 0.000 1.292 251 G CA -0.583 44.014 45.100 -0.839 0.000 0.935 251 G HN 0.144 nan 8.290 nan 0.000 0.512 252 L N 0.885 121.801 121.223 -0.511 0.000 2.319 252 L HA 0.711 5.051 4.340 0.000 0.000 0.280 252 L C 1.091 177.749 176.870 -0.354 0.000 1.099 252 L CA -0.245 54.212 54.840 -0.637 0.000 0.828 252 L CB 0.588 42.043 42.059 -1.007 0.000 1.150 252 L HN 0.601 nan 8.230 nan 0.000 0.442 253 M N 7.838 127.247 119.600 -0.318 0.000 2.238 253 M HA 0.246 4.726 4.480 0.000 0.000 0.350 253 M C -1.938 174.198 176.300 -0.273 0.000 1.321 253 M CA -1.520 53.589 55.300 -0.318 0.000 1.097 253 M CB 0.321 32.656 32.600 -0.442 0.000 1.713 253 M HN 0.482 nan 8.290 nan 0.000 0.455 254 P HA 0.088 nan 4.420 nan 0.000 0.271 254 P C -0.839 176.404 177.300 -0.095 0.000 1.218 254 P CA -0.244 62.769 63.100 -0.145 0.000 0.780 254 P CB 0.490 32.125 31.700 -0.109 0.000 0.901 255 A N 2.317 125.124 122.820 -0.021 0.000 3.135 255 A HA 0.539 4.859 4.320 0.000 0.000 0.253 255 A C 0.714 178.431 177.584 0.222 0.000 1.638 255 A CA -0.035 52.059 52.037 0.095 0.000 1.295 255 A CB -1.219 17.862 19.000 0.134 0.000 1.106 255 A HN 0.641 nan 8.150 nan 0.000 0.648 256 G N -0.668 108.249 108.800 0.195 0.000 2.682 256 G HA2 0.483 4.443 3.960 0.000 0.000 0.300 256 G HA3 0.483 4.443 3.960 0.000 0.000 0.300 256 G C 0.493 175.382 174.900 -0.019 0.000 1.391 256 G CA -0.630 44.518 45.100 0.081 0.000 0.990 256 G HN 0.158 nan 8.290 nan 0.000 0.501 257 I N 1.476 121.830 120.570 -0.359 0.000 2.142 257 I HA -0.205 3.965 4.170 0.000 0.000 0.240 257 I C 3.063 179.083 176.117 -0.163 0.000 1.078 257 I CA 1.913 62.960 61.300 -0.422 0.000 1.343 257 I CB -0.075 37.583 38.000 -0.570 0.000 1.046 257 I HN 0.563 nan 8.210 nan 0.000 0.405 258 A N 0.602 123.309 122.820 -0.189 0.000 1.877 258 A HA -0.150 4.170 4.320 0.000 0.000 0.216 258 A C 2.543 180.064 177.584 -0.104 0.000 1.186 258 A CA 1.827 53.779 52.037 -0.141 0.000 0.620 258 A CB -0.991 17.918 19.000 -0.151 0.000 0.822 258 A HN 0.434 nan 8.150 nan 0.000 0.443 259 A N -0.071 122.690 122.820 -0.097 0.000 1.908 259 A HA -0.145 4.175 4.320 0.000 0.000 0.218 259 A C 2.138 179.634 177.584 -0.147 0.000 1.181 259 A CA 1.717 53.693 52.037 -0.101 0.000 0.627 259 A CB -0.622 18.327 19.000 -0.085 0.000 0.818 259 A HN 0.517 nan 8.150 nan 0.000 0.445 260 I N 0.471 120.955 120.570 -0.142 0.000 2.286 260 I HA -0.212 3.958 4.170 0.000 0.000 0.245 260 I C 2.822 178.826 176.117 -0.189 0.000 1.104 260 I CA 1.443 62.598 61.300 -0.242 0.000 1.397 260 I CB -0.252 37.584 38.000 -0.273 0.000 1.072 260 I HN 0.506 nan 8.210 nan 0.000 0.417 261 S N 0.202 115.856 115.700 -0.076 0.000 2.402 261 S HA -0.255 4.215 4.470 0.000 0.000 0.229 261 S C 1.910 176.465 174.600 -0.074 0.000 1.021 261 S CA 1.055 59.230 58.200 -0.041 0.000 0.974 261 S CB -0.356 62.842 63.200 -0.002 0.000 0.800 261 S HN 0.356 nan 8.310 nan 0.000 0.484 262 Q N 1.614 121.357 119.800 -0.095 0.000 2.079 262 Q HA 0.144 4.484 4.340 0.000 0.000 0.200 262 Q C 2.009 177.946 176.000 -0.106 0.000 0.974 262 Q CA 1.472 57.224 55.803 -0.085 0.000 0.840 262 Q CB -0.803 27.888 28.738 -0.078 0.000 0.898 262 Q HN 0.641 nan 8.270 nan 0.000 0.430 263 L N -0.346 120.763 121.223 -0.190 0.000 2.079 263 L HA -0.169 4.171 4.340 0.000 0.000 0.210 263 L C 1.997 178.710 176.870 -0.262 0.000 1.081 263 L CA 1.007 55.675 54.840 -0.287 0.000 0.752 263 L CB -0.308 41.389 42.059 -0.603 0.000 0.896 263 L HN 0.281 nan 8.230 nan 0.000 0.433 264 L N -0.900 120.185 121.223 -0.230 0.000 2.558 264 L HA 0.020 4.360 4.340 0.000 0.000 0.225 264 L C 1.115 178.035 176.870 0.084 0.000 1.128 264 L CA -0.205 54.588 54.840 -0.078 0.000 0.868 264 L CB -0.267 41.722 42.059 -0.117 0.000 1.006 264 L HN 0.221 nan 8.230 nan 0.000 0.454 265 E N 0.773 120.981 120.200 0.014 0.000 2.465 265 E HA 0.077 4.427 4.350 0.000 0.000 0.260 265 E C 1.135 177.707 176.600 -0.045 0.000 0.980 265 E CA 0.867 57.264 56.400 -0.005 0.000 0.927 265 E CB 0.343 30.028 29.700 -0.026 0.000 0.934 265 E HN 0.324 nan 8.360 nan 0.000 0.459 266 G N 4.121 112.882 108.800 -0.064 0.000 2.195 266 G HA2 -0.228 3.732 3.960 0.000 0.000 0.246 266 G HA3 -0.228 3.732 3.960 0.000 0.000 0.246 266 G C -0.128 174.638 174.900 -0.224 0.000 0.984 266 G CA 0.101 45.113 45.100 -0.147 0.000 0.633 266 G HN 0.716 nan 8.290 nan 0.000 0.525 267 H N 1.677 120.759 119.070 0.021 0.000 2.652 267 H HA 0.264 4.820 4.556 0.000 0.000 0.298 267 H C 1.189 176.532 175.328 0.025 0.000 1.076 267 H CA 0.292 56.360 56.048 0.034 0.000 1.360 267 H CB 1.426 31.219 29.762 0.052 0.000 1.421 267 H HN 0.468 nan 8.280 nan 0.000 0.464 268 D N 2.347 122.817 120.400 0.117 0.000 2.183 268 D HA -0.073 4.567 4.640 0.000 0.000 0.203 268 D C 0.444 176.788 176.300 0.073 0.000 0.969 268 D CA 0.488 54.531 54.000 0.072 0.000 0.842 268 D CB 0.428 41.255 40.800 0.046 0.000 0.957 268 D HN 0.113 nan 8.370 nan 0.000 0.484 269 V N 1.149 121.117 119.914 0.090 0.000 2.525 269 V HA 0.314 4.434 4.120 0.000 0.000 0.299 269 V C -0.499 175.636 176.094 0.069 0.000 1.034 269 V CA -0.998 61.341 62.300 0.065 0.000 0.863 269 V CB 2.458 34.309 31.823 0.048 0.000 0.999 269 V HN -0.089 nan 8.190 nan 0.000 0.423 270 V N 5.998 125.944 119.914 0.054 0.000 2.384 270 V HA 0.473 4.593 4.120 0.000 0.000 0.287 270 V C -0.444 175.669 176.094 0.032 0.000 1.020 270 V CA -0.570 61.753 62.300 0.039 0.000 0.850 270 V CB 1.702 33.553 31.823 0.046 0.000 0.987 270 V HN 0.665 nan 8.190 nan 0.000 0.436 271 L N 7.406 128.644 121.223 0.025 0.000 2.276 271 L HA 0.611 4.951 4.340 0.000 0.000 0.286 271 L C -0.368 176.518 176.870 0.026 0.000 1.024 271 L CA 0.154 55.005 54.840 0.019 0.000 0.826 271 L CB 1.444 43.511 42.059 0.014 0.000 1.211 271 L HN 0.445 nan 8.230 nan 0.000 0.422 272 V N 6.768 126.695 119.914 0.021 0.000 2.407 272 V HA 0.473 4.593 4.120 0.000 0.000 0.278 272 V C 0.173 176.274 176.094 0.012 0.000 1.037 272 V CA -0.375 61.944 62.300 0.033 0.000 0.900 272 V CB 1.344 33.179 31.823 0.019 0.000 0.983 272 V HN 0.584 nan 8.190 nan 0.000 0.459 273 I N 3.544 124.129 120.570 0.025 0.000 2.418 273 I HA 0.603 4.773 4.170 0.000 0.000 0.287 273 I C 0.973 177.108 176.117 0.030 0.000 1.008 273 I CA -0.441 60.872 61.300 0.021 0.000 1.104 273 I CB 1.675 39.691 38.000 0.027 0.000 1.264 273 I HN 0.835 nan 8.210 nan 0.000 0.438 274 G N 4.403 113.215 108.800 0.020 0.000 2.176 274 G HA2 -0.070 3.890 3.960 0.000 0.000 0.252 274 G HA3 -0.070 3.890 3.960 0.000 0.000 0.252 274 G C -0.033 174.897 174.900 0.050 0.000 1.024 274 G CA 0.230 45.350 45.100 0.034 0.000 0.755 274 G HN 1.022 nan 8.290 nan 0.000 0.507 275 A N -0.525 122.315 122.820 0.032 0.000 2.498 275 A HA 0.958 5.278 4.320 0.000 0.000 0.298 275 A C -2.595 174.978 177.584 -0.019 0.000 1.075 275 A CA -1.441 50.616 52.037 0.033 0.000 0.714 275 A CB 1.926 20.968 19.000 0.069 0.000 1.299 275 A HN 0.120 nan 8.150 nan 0.000 0.407 276 P HA 0.338 nan 4.420 nan 0.000 0.272 276 P C -0.693 176.476 177.300 -0.218 0.000 1.223 276 P CA -0.165 62.877 63.100 -0.096 0.000 0.784 276 P CB 0.725 32.385 31.700 -0.066 0.000 0.923 277 V N 3.495 123.170 119.914 -0.398 0.000 2.277 277 V HA 0.336 4.456 4.120 0.000 0.000 0.269 277 V C -0.316 175.421 176.094 -0.596 0.000 1.036 277 V CA 0.033 61.794 62.300 -0.900 0.000 0.821 277 V CB -0.986 30.330 31.823 -0.845 0.000 1.052 277 V HN 0.366 nan 8.190 nan 0.000 0.462 278 F N 2.413 122.108 119.950 -0.425 0.000 2.598 278 F HA 0.633 5.160 4.527 0.000 0.000 0.327 278 F C 0.537 175.962 175.800 -0.625 0.000 1.057 278 F CA -1.382 56.276 58.000 -0.570 0.000 0.957 278 F CB 1.709 40.248 39.000 -0.768 0.000 1.278 278 F HN 0.186 nan 8.300 nan 0.000 0.484 279 R N 1.585 121.986 120.500 -0.164 0.000 3.701 279 R HA 0.253 4.593 4.340 0.000 0.000 0.210 279 R C -1.305 174.964 176.300 -0.052 0.000 1.598 279 R CA -0.164 55.881 56.100 -0.092 0.000 1.427 279 R CB -1.195 29.091 30.300 -0.023 0.000 1.339 279 R HN 0.368 nan 8.270 nan 0.000 0.720 280 Y N 0.026 120.412 120.300 0.144 0.000 2.394 280 Y HA 0.050 4.600 4.550 0.000 0.000 0.351 280 Y C 1.734 177.740 175.900 0.176 0.000 1.272 280 Y CA 0.596 58.782 58.100 0.145 0.000 1.508 280 Y CB 0.376 38.939 38.460 0.172 0.000 1.369 280 Y HN 0.516 nan 8.280 nan 0.000 0.639 281 H N -1.385 117.825 119.070 0.233 0.000 3.170 281 H HA 0.111 4.667 4.556 0.000 0.000 0.130 281 H C 0.024 175.418 175.328 0.110 0.000 1.146 281 H CA -0.117 56.005 56.048 0.124 0.000 1.068 281 H CB 0.421 30.227 29.762 0.072 0.000 0.980 281 H HN 0.638 nan 8.280 nan 0.000 0.259 282 Q N 1.428 121.310 119.800 0.136 0.000 2.432 282 Q HA -0.091 4.249 4.340 0.000 0.000 0.264 282 Q C -1.022 175.117 176.000 0.232 0.000 1.035 282 Q CA 0.002 55.880 55.803 0.125 0.000 0.908 282 Q CB 0.607 29.426 28.738 0.134 0.000 1.280 282 Q HN 0.457 nan 8.270 nan 0.000 0.455 283 Y N 1.771 122.140 120.300 0.114 0.000 2.452 283 Y HA 0.210 4.760 4.550 0.000 0.000 0.348 283 Y C -0.945 174.971 175.900 0.028 0.000 0.985 283 Y CA -0.948 57.188 58.100 0.059 0.000 1.214 283 Y CB 0.737 39.241 38.460 0.073 0.000 1.136 283 Y HN 0.765 nan 8.280 nan 0.000 0.523 284 D N 8.922 129.122 120.400 -0.332 0.000 2.552 284 D HA 0.276 4.916 4.640 0.000 0.000 0.285 284 D C -3.011 173.012 176.300 -0.463 0.000 1.206 284 D CA -2.034 51.781 54.000 -0.308 0.000 0.826 284 D CB 0.780 41.498 40.800 -0.137 0.000 1.179 284 D HN 0.235 nan 8.370 nan 0.000 0.508 285 P HA 0.466 nan 4.420 nan 0.000 0.269 285 P C 0.425 177.511 177.300 -0.358 0.000 1.215 285 P CA 0.221 62.953 63.100 -0.613 0.000 0.780 285 P CB 1.660 32.964 31.700 -0.659 0.000 0.898 286 G N 1.200 109.806 108.800 -0.324 0.000 2.367 286 G HA2 0.088 4.048 3.960 0.000 0.000 0.272 286 G HA3 0.088 4.048 3.960 0.000 0.000 0.272 286 G C -1.621 173.109 174.900 -0.282 0.000 1.271 286 G CA -0.716 44.236 45.100 -0.246 0.000 0.893 286 G HN 0.465 nan 8.290 nan 0.000 0.485 287 Q N -0.436 119.246 119.800 -0.197 0.000 2.288 287 Q HA 0.423 4.763 4.340 0.000 0.000 0.254 287 Q C 0.313 176.238 176.000 -0.124 0.000 0.932 287 Q CA -0.512 55.195 55.803 -0.160 0.000 0.902 287 Q CB 1.210 29.908 28.738 -0.067 0.000 1.203 287 Q HN 0.510 nan 8.270 nan 0.000 0.415 288 Y N 1.085 121.394 120.300 0.014 0.000 2.200 288 Y HA -0.033 4.517 4.550 0.000 0.000 0.290 288 Y C 0.558 176.511 175.900 0.087 0.000 1.137 288 Y CA 0.924 59.068 58.100 0.072 0.000 1.163 288 Y CB 0.365 38.879 38.460 0.089 0.000 0.988 288 Y HN 0.395 nan 8.280 nan 0.000 0.518 289 L N 0.198 121.545 121.223 0.205 0.000 2.455 289 L HA 0.331 4.671 4.340 0.000 0.000 0.264 289 L C -0.578 176.332 176.870 0.066 0.000 0.968 289 L CA -1.211 53.703 54.840 0.123 0.000 0.827 289 L CB 2.111 44.240 42.059 0.118 0.000 1.317 289 L HN -0.268 nan 8.230 nan 0.000 0.407 290 K N 1.702 122.123 120.400 0.036 0.000 2.219 290 K HA 0.358 4.678 4.320 0.000 0.000 0.258 290 K C -2.341 174.272 176.600 0.021 0.000 1.008 290 K CA -1.622 54.675 56.287 0.015 0.000 0.928 290 K CB 0.272 32.772 32.500 -0.000 0.000 0.983 290 K HN 0.222 nan 8.250 nan 0.000 0.484 291 P HA 0.007 nan 4.420 nan 0.000 0.266 291 P C 0.603 177.911 177.300 0.012 0.000 1.195 291 P CA 0.681 63.788 63.100 0.013 0.000 0.768 291 P CB 0.346 32.049 31.700 0.005 0.000 0.838 292 G N 1.036 109.846 108.800 0.016 0.000 2.175 292 G HA2 -0.185 3.775 3.960 0.000 0.000 0.244 292 G HA3 -0.185 3.775 3.960 0.000 0.000 0.244 292 G C 0.145 175.060 174.900 0.026 0.000 0.982 292 G CA -0.001 45.108 45.100 0.015 0.000 0.641 292 G HN 0.635 nan 8.290 nan 0.000 0.527 293 T N 1.082 115.657 114.554 0.034 0.000 2.758 293 T HA 0.579 4.929 4.350 0.000 0.000 0.285 293 T C 0.148 174.875 174.700 0.044 0.000 0.981 293 T CA -0.451 61.679 62.100 0.049 0.000 0.965 293 T CB 1.818 70.722 68.868 0.061 0.000 0.927 293 T HN 0.495 nan 8.240 nan 0.000 0.448 294 R N 3.649 124.174 120.500 0.042 0.000 2.312 294 R HA 0.614 4.954 4.340 0.000 0.000 0.311 294 R C -1.084 175.235 176.300 0.031 0.000 1.004 294 R CA -0.684 55.434 56.100 0.031 0.000 0.902 294 R CB 0.659 30.973 30.300 0.024 0.000 1.073 294 R HN 0.562 nan 8.270 nan 0.000 0.457 295 L N 5.993 127.227 121.223 0.018 0.000 2.329 295 L HA 0.555 4.895 4.340 0.000 0.000 0.279 295 L C -1.188 175.674 176.870 -0.013 0.000 1.014 295 L CA -0.611 54.234 54.840 0.008 0.000 0.814 295 L CB 1.366 43.424 42.059 -0.002 0.000 1.257 295 L HN 0.659 nan 8.230 nan 0.000 0.424 296 I N 3.952 124.515 120.570 -0.012 0.000 2.447 296 I HA 0.313 4.483 4.170 0.000 0.000 0.287 296 I C -0.523 175.575 176.117 -0.032 0.000 1.023 296 I CA -0.313 60.974 61.300 -0.022 0.000 1.083 296 I CB 2.027 40.022 38.000 -0.008 0.000 1.245 296 I HN 0.515 nan 8.210 nan 0.000 0.434 297 S N 5.816 121.485 115.700 -0.051 0.000 2.454 297 S HA 0.665 5.135 4.470 0.000 0.000 0.306 297 S C -0.759 173.814 174.600 -0.045 0.000 1.100 297 S CA -0.476 57.687 58.200 -0.062 0.000 1.087 297 S CB 1.274 64.409 63.200 -0.108 0.000 1.019 297 S HN 0.321 nan 8.310 nan 0.000 0.480 298 V N 4.509 124.404 119.914 -0.032 0.000 2.370 298 V HA 0.665 4.785 4.120 0.000 0.000 0.283 298 V C 0.343 176.420 176.094 -0.029 0.000 1.023 298 V CA -0.477 61.807 62.300 -0.027 0.000 0.857 298 V CB 1.278 33.092 31.823 -0.015 0.000 0.985 298 V HN 0.942 nan 8.190 nan 0.000 0.443 299 T N 3.103 117.634 114.554 -0.038 0.000 2.909 299 T HA 0.244 4.594 4.350 0.000 0.000 0.299 299 T C 0.749 175.414 174.700 -0.058 0.000 1.073 299 T CA -0.119 61.956 62.100 -0.042 0.000 0.999 299 T CB 1.319 70.160 68.868 -0.045 0.000 1.098 299 T HN 0.886 nan 8.240 nan 0.000 0.477 300 C N 1.779 121.027 119.300 -0.086 0.000 2.626 300 C HA 0.451 4.911 4.460 0.000 0.000 0.266 300 C C 0.471 175.366 174.990 -0.158 0.000 1.317 300 C CA -0.416 58.526 59.018 -0.126 0.000 1.716 300 C CB -1.391 26.247 27.740 -0.171 0.000 1.819 300 C HN 0.749 nan 8.230 nan 0.000 0.578 301 D N 0.975 121.300 120.400 -0.126 0.000 2.471 301 D HA 0.358 4.998 4.640 0.000 0.000 0.245 301 D C -1.898 174.375 176.300 -0.046 0.000 1.116 301 D CA -1.915 52.021 54.000 -0.106 0.000 0.853 301 D CB 1.946 42.707 40.800 -0.065 0.000 1.123 301 D HN -0.092 nan 8.370 nan 0.000 0.540 302 P HA -0.100 nan 4.420 nan 0.000 0.217 302 P C 1.696 178.997 177.300 0.002 0.000 1.148 302 P CA 0.841 63.932 63.100 -0.015 0.000 0.828 302 P CB 0.393 32.089 31.700 -0.006 0.000 0.783 303 L N -0.777 120.460 121.223 0.024 0.000 2.141 303 L HA -0.168 4.172 4.340 0.000 0.000 0.209 303 L C 2.381 179.267 176.870 0.027 0.000 1.094 303 L CA 1.461 56.331 54.840 0.050 0.000 0.763 303 L CB -0.757 41.367 42.059 0.109 0.000 0.908 303 L HN 0.050 nan 8.230 nan 0.000 0.437 304 E N 0.200 120.407 120.200 0.011 0.000 2.028 304 E HA -0.216 4.134 4.350 0.000 0.000 0.191 304 E C 2.348 178.918 176.600 -0.050 0.000 0.988 304 E CA 1.174 57.562 56.400 -0.020 0.000 0.799 304 E CB -0.215 29.474 29.700 -0.018 0.000 0.755 304 E HN 0.483 nan 8.360 nan 0.000 0.447 305 A N 1.599 124.392 122.820 -0.045 0.000 1.908 305 A HA -0.189 4.131 4.320 0.000 0.000 0.218 305 A C 2.402 179.955 177.584 -0.051 0.000 1.181 305 A CA 1.937 53.940 52.037 -0.056 0.000 0.627 305 A CB -0.735 18.239 19.000 -0.044 0.000 0.818 305 A HN 0.304 nan 8.150 nan 0.000 0.445 306 A N 0.435 123.237 122.820 -0.031 0.000 1.930 306 A HA -0.148 4.172 4.320 0.000 0.000 0.217 306 A C 2.189 179.753 177.584 -0.034 0.000 1.175 306 A CA 1.682 53.705 52.037 -0.024 0.000 0.627 306 A CB -0.421 18.577 19.000 -0.004 0.000 0.815 306 A HN 0.726 nan 8.150 nan 0.000 0.443 307 R N -0.667 119.811 120.500 -0.037 0.000 2.300 307 R HA 0.466 4.806 4.340 0.000 0.000 0.199 307 R C 0.746 176.993 176.300 -0.087 0.000 0.920 307 R CA 0.561 56.637 56.100 -0.042 0.000 1.046 307 R CB -0.430 29.863 30.300 -0.013 0.000 0.984 307 R HN 0.259 nan 8.270 nan 0.000 0.493 308 A N 3.172 125.918 122.820 -0.123 0.000 2.548 308 A HA 0.150 4.470 4.320 0.000 0.000 0.247 308 A C -1.547 175.914 177.584 -0.205 0.000 1.067 308 A CA -1.094 50.826 52.037 -0.195 0.000 0.757 308 A CB 0.156 19.030 19.000 -0.211 0.000 0.996 308 A HN 0.285 nan 8.150 nan 0.000 0.504 309 P HA 0.053 nan 4.420 nan 0.000 0.245 309 P C -0.153 176.983 177.300 -0.273 0.000 1.212 309 P CA 0.793 63.669 63.100 -0.373 0.000 0.774 309 P CB -0.091 31.095 31.700 -0.857 0.000 0.999 310 M N -2.999 116.471 119.600 -0.217 0.000 2.682 310 M HA 0.640 5.120 4.480 0.000 0.000 0.272 310 M C -0.466 175.769 176.300 -0.108 0.000 1.232 310 M CA -0.317 54.914 55.300 -0.116 0.000 0.849 310 M CB 1.206 33.770 32.600 -0.060 0.000 1.695 310 M HN 0.035 nan 8.290 nan 0.000 0.481 311 G N 1.662 110.424 108.800 -0.063 0.000 2.730 311 G HA2 -0.016 3.944 3.960 0.000 0.000 0.686 311 G HA3 -0.016 3.944 3.960 0.000 0.000 0.686 311 G C -1.540 173.327 174.900 -0.055 0.000 1.343 311 G CA -0.398 44.668 45.100 -0.057 0.000 0.826 311 G HN 0.981 nan 8.290 nan 0.000 0.582 312 D N 0.067 120.442 120.400 -0.042 0.000 2.354 312 D HA 0.744 5.384 4.640 0.000 0.000 0.247 312 D C 0.726 176.997 176.300 -0.048 0.000 1.138 312 D CA 1.099 55.077 54.000 -0.038 0.000 0.958 312 D CB 1.583 42.368 40.800 -0.024 0.000 1.144 312 D HN 1.276 nan 8.370 nan 0.000 0.458 313 A N 0.718 123.512 122.820 -0.044 0.000 2.539 313 A HA 0.714 5.034 4.320 0.000 0.000 0.296 313 A C -1.151 176.411 177.584 -0.036 0.000 1.073 313 A CA -0.604 51.405 52.037 -0.047 0.000 0.700 313 A CB 1.078 20.043 19.000 -0.059 0.000 1.296 313 A HN 0.450 nan 8.150 nan 0.000 0.405 314 I N 1.305 121.854 120.570 -0.034 0.000 2.466 314 I HA 0.397 4.567 4.170 0.000 0.000 0.289 314 I C -0.830 175.268 176.117 -0.033 0.000 1.026 314 I CA -0.871 60.411 61.300 -0.029 0.000 1.078 314 I CB 2.215 40.202 38.000 -0.023 0.000 1.249 314 I HN 0.312 nan 8.210 nan 0.000 0.429 315 V N 6.007 125.902 119.914 -0.032 0.000 2.348 315 V HA 0.849 4.969 4.120 0.000 0.000 0.270 315 V C 0.268 176.340 176.094 -0.036 0.000 1.037 315 V CA -0.065 62.212 62.300 -0.038 0.000 0.872 315 V CB 0.572 32.373 31.823 -0.037 0.000 1.002 315 V HN 0.893 nan 8.190 nan 0.000 0.464 316 A N 3.698 126.495 122.820 -0.040 0.000 2.536 316 A HA 0.612 4.932 4.320 0.000 0.000 0.293 316 A C -1.151 176.410 177.584 -0.040 0.000 1.119 316 A CA -0.774 51.242 52.037 -0.035 0.000 0.654 316 A CB 1.023 20.007 19.000 -0.026 0.000 1.291 316 A HN 0.710 nan 8.150 nan 0.000 0.439 317 D N 0.173 120.553 120.400 -0.033 0.000 2.390 317 D HA 0.309 4.949 4.640 0.000 0.000 0.249 317 D C 1.100 177.386 176.300 -0.023 0.000 1.144 317 D CA -0.392 53.588 54.000 -0.032 0.000 0.880 317 D CB 0.360 41.145 40.800 -0.024 0.000 1.182 317 D HN 0.285 nan 8.370 nan 0.000 0.451 318 I N 3.767 124.324 120.570 -0.022 0.000 2.226 318 I HA -0.068 4.102 4.170 0.000 0.000 0.245 318 I C 2.288 178.405 176.117 0.000 0.000 1.100 318 I CA 1.132 62.427 61.300 -0.008 0.000 1.374 318 I CB -1.623 36.376 38.000 -0.001 0.000 1.057 318 I HN 0.687 nan 8.210 nan 0.000 0.413 319 G N 0.777 109.577 108.800 -0.001 0.000 2.421 319 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 319 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 319 G C 1.878 176.779 174.900 0.000 0.000 1.171 319 G CA 1.074 46.175 45.100 0.002 0.000 0.775 319 G HN 0.479 nan 8.290 nan 0.000 0.543 320 A N 0.386 123.203 122.820 -0.004 0.000 1.902 320 A HA 0.012 4.332 4.320 0.000 0.000 0.217 320 A C 2.453 180.035 177.584 -0.003 0.000 1.181 320 A CA 2.022 54.056 52.037 -0.005 0.000 0.623 320 A CB -0.337 18.658 19.000 -0.008 0.000 0.818 320 A HN 0.304 nan 8.150 nan 0.000 0.443 321 M N -0.563 119.034 119.600 -0.004 0.000 2.132 321 M HA -0.071 4.409 4.480 0.000 0.000 0.263 321 M C 2.541 178.843 176.300 0.004 0.000 1.065 321 M CA 1.552 56.851 55.300 -0.002 0.000 1.122 321 M CB -1.446 31.151 32.600 -0.005 0.000 1.365 321 M HN 0.489 nan 8.290 nan 0.000 0.411 322 A N -0.609 122.216 122.820 0.008 0.000 1.902 322 A HA -0.154 4.166 4.320 0.000 0.000 0.217 322 A C 2.483 180.075 177.584 0.012 0.000 1.181 322 A CA 2.260 54.306 52.037 0.014 0.000 0.623 322 A CB -0.898 18.114 19.000 0.021 0.000 0.818 322 A HN 0.494 nan 8.150 nan 0.000 0.443 323 S N -0.500 115.204 115.700 0.007 0.000 2.368 323 S HA -0.012 4.458 4.470 0.000 0.000 0.224 323 S C 2.189 176.792 174.600 0.005 0.000 1.029 323 S CA 1.551 59.754 58.200 0.005 0.000 0.988 323 S CB -0.484 62.717 63.200 0.002 0.000 0.838 323 S HN 0.800 nan 8.310 nan 0.000 0.462 324 A N 1.604 124.426 122.820 0.003 0.000 1.858 324 A HA 0.051 4.371 4.320 0.000 0.000 0.216 324 A C 2.240 179.827 177.584 0.006 0.000 1.190 324 A CA 1.520 53.559 52.037 0.003 0.000 0.617 324 A CB -0.951 18.049 19.000 0.001 0.000 0.827 324 A HN 0.567 nan 8.150 nan 0.000 0.443 325 L N -0.708 120.520 121.223 0.007 0.000 2.012 325 L HA -0.228 4.112 4.340 0.000 0.000 0.210 325 L C 3.099 179.977 176.870 0.013 0.000 1.073 325 L CA 1.201 56.048 54.840 0.010 0.000 0.748 325 L CB -0.584 41.482 42.059 0.012 0.000 0.891 325 L HN 0.447 nan 8.230 nan 0.000 0.431 326 A N -0.187 122.642 122.820 0.015 0.000 1.972 326 A HA -0.187 4.133 4.320 0.000 0.000 0.219 326 A C 1.992 179.584 177.584 0.014 0.000 1.169 326 A CA 1.736 53.783 52.037 0.017 0.000 0.635 326 A CB -0.476 18.534 19.000 0.017 0.000 0.810 326 A HN 0.485 nan 8.150 nan 0.000 0.446 327 N N -0.802 117.904 118.700 0.010 0.000 2.422 327 N HA 0.127 4.867 4.740 0.000 0.000 0.181 327 N C 1.328 176.842 175.510 0.008 0.000 1.080 327 N CA 0.574 53.629 53.050 0.008 0.000 0.893 327 N CB 0.200 38.690 38.487 0.005 0.000 0.973 327 N HN 0.467 nan 8.380 nan 0.000 0.456 328 L N 0.601 121.829 121.223 0.009 0.000 2.425 328 L HA 0.136 4.476 4.340 0.000 0.000 0.215 328 L C 0.810 177.686 176.870 0.010 0.000 1.065 328 L CA 0.024 54.869 54.840 0.008 0.000 0.842 328 L CB 0.097 42.160 42.059 0.006 0.000 1.033 328 L HN -0.104 nan 8.230 nan 0.000 0.474 329 V N -1.043 118.878 119.914 0.012 0.000 2.872 329 V HA 0.074 4.194 4.120 0.000 0.000 0.307 329 V C 0.257 176.360 176.094 0.015 0.000 1.072 329 V CA -0.805 61.504 62.300 0.014 0.000 1.148 329 V CB 0.324 32.158 31.823 0.018 0.000 0.954 329 V HN 0.177 nan 8.190 nan 0.000 0.490 330 E N 1.508 121.717 120.200 0.015 0.000 2.392 330 E HA 0.219 4.569 4.350 0.000 0.000 0.259 330 E C -0.257 176.354 176.600 0.018 0.000 1.108 330 E CA -0.326 56.083 56.400 0.015 0.000 0.916 330 E CB 0.730 30.438 29.700 0.014 0.000 0.989 330 E HN 0.908 nan 8.360 nan 0.000 0.432 331 E N 1.506 121.717 120.200 0.018 0.000 2.129 331 E HA 0.036 4.386 4.350 0.000 0.000 0.283 331 E C -0.797 175.815 176.600 0.020 0.000 1.080 331 E CA -0.087 56.325 56.400 0.020 0.000 0.867 331 E CB 0.695 30.406 29.700 0.018 0.000 1.056 331 E HN 0.290 nan 8.360 nan 0.000 0.404 332 S N 3.039 118.753 115.700 0.023 0.000 2.576 332 S HA 0.102 4.572 4.470 0.000 0.000 0.276 332 S C 0.790 175.403 174.600 0.021 0.000 1.339 332 S CA 0.056 58.270 58.200 0.022 0.000 1.039 332 S CB 0.546 63.762 63.200 0.026 0.000 0.902 332 S HN 0.626 nan 8.310 nan 0.000 0.516 333 S N 4.095 119.806 115.700 0.018 0.000 2.634 333 S HA 0.260 4.730 4.470 0.000 0.000 0.221 333 S C 0.561 175.170 174.600 0.016 0.000 0.952 333 S CA -0.537 57.672 58.200 0.016 0.000 0.930 333 S CB -0.132 63.075 63.200 0.012 0.000 0.780 333 S HN 0.696 nan 8.310 nan 0.000 0.498 334 R N 1.512 122.023 120.500 0.019 0.000 2.827 334 R HA 0.150 4.490 4.340 0.000 0.000 0.269 334 R C 0.432 176.743 176.300 0.019 0.000 1.048 334 R CA -0.146 55.966 56.100 0.020 0.000 1.173 334 R CB 0.268 30.583 30.300 0.025 0.000 1.070 334 R HN 0.477 nan 8.270 nan 0.000 0.498 335 Q N 1.811 121.621 119.800 0.017 0.000 2.313 335 Q HA 0.036 4.376 4.340 0.000 0.000 0.266 335 Q C -0.694 175.317 176.000 0.018 0.000 0.989 335 Q CA -0.330 55.482 55.803 0.014 0.000 0.890 335 Q CB 0.740 29.484 28.738 0.010 0.000 1.200 335 Q HN 0.306 nan 8.270 nan 0.000 0.396 336 L N 7.070 128.304 121.223 0.018 0.000 2.453 336 L HA 0.257 4.597 4.340 0.000 0.000 0.272 336 L C -2.185 174.693 176.870 0.014 0.000 1.182 336 L CA -0.982 53.872 54.840 0.024 0.000 0.858 336 L CB 0.413 42.484 42.059 0.020 0.000 1.120 336 L HN 0.612 nan 8.230 nan 0.000 0.474 337 P HA 0.081 nan 4.420 nan 0.000 0.268 337 P C -1.089 176.207 177.300 -0.008 0.000 1.208 337 P CA -0.022 63.078 63.100 -0.000 0.000 0.777 337 P CB 0.276 31.969 31.700 -0.011 0.000 0.875 338 T N 1.221 115.766 114.554 -0.015 0.000 2.889 338 T HA 0.486 4.836 4.350 0.000 0.000 0.291 338 T C 0.327 175.015 174.700 -0.019 0.000 0.995 338 T CA -0.510 61.580 62.100 -0.018 0.000 1.092 338 T CB 0.830 69.689 68.868 -0.015 0.000 0.954 338 T HN 0.457 nan 8.240 nan 0.000 0.506 339 A N 2.319 125.129 122.820 -0.016 0.000 2.520 339 A HA 0.556 4.876 4.320 0.000 0.000 0.235 339 A C 0.906 178.488 177.584 -0.003 0.000 1.065 339 A CA -0.432 51.605 52.037 -0.001 0.000 0.764 339 A CB -0.356 18.642 19.000 -0.002 0.000 1.002 339 A HN 1.138 nan 8.150 nan 0.000 0.502 340 A N 3.153 125.976 122.820 0.004 0.000 2.466 340 A HA 0.518 4.838 4.320 0.000 0.000 0.238 340 A C -1.658 175.929 177.584 0.006 0.000 1.074 340 A CA -0.786 51.248 52.037 -0.006 0.000 0.774 340 A CB -0.657 18.338 19.000 -0.009 0.000 1.015 340 A HN 0.766 nan 8.150 nan 0.000 0.498 341 P HA 0.133 nan 4.420 nan 0.000 0.271 341 P C -0.210 177.097 177.300 0.012 0.000 1.216 341 P CA -0.287 62.816 63.100 0.005 0.000 0.776 341 P CB 0.493 32.194 31.700 0.002 0.000 0.881 342 E N 3.027 123.235 120.200 0.013 0.000 2.442 342 E HA 0.028 4.378 4.350 0.000 0.000 0.262 342 E C -1.573 175.037 176.600 0.016 0.000 1.004 342 E CA -0.883 55.527 56.400 0.017 0.000 0.928 342 E CB 0.083 29.792 29.700 0.015 0.000 0.937 342 E HN 0.395 nan 8.360 nan 0.000 0.446 343 P HA 0.064 nan 4.420 nan 0.000 0.272 343 P C -1.109 176.202 177.300 0.018 0.000 1.223 343 P CA -0.258 62.854 63.100 0.020 0.000 0.784 343 P CB 0.641 32.357 31.700 0.026 0.000 0.923 344 A N 2.350 125.179 122.820 0.014 0.000 2.425 344 A HA 0.202 4.522 4.320 0.000 0.000 0.249 344 A C 0.472 178.063 177.584 0.010 0.000 1.084 344 A CA -0.438 51.604 52.037 0.009 0.000 0.781 344 A CB -0.133 18.870 19.000 0.004 0.000 1.019 344 A HN 0.585 nan 8.150 nan 0.000 0.490 345 K N 2.468 122.873 120.400 0.008 0.000 2.312 345 K HA 0.396 4.716 4.320 0.000 0.000 0.287 345 K C -0.085 176.510 176.600 -0.009 0.000 1.062 345 K CA -0.495 55.797 56.287 0.008 0.000 0.934 345 K CB 0.414 32.922 32.500 0.012 0.000 1.027 345 K HN 0.666 nan 8.250 nan 0.000 0.478 346 V N 1.178 121.077 119.914 -0.024 0.000 2.732 346 V HA 0.201 4.321 4.120 0.000 0.000 0.297 346 V C -0.028 176.021 176.094 -0.075 0.000 1.060 346 V CA -0.786 61.468 62.300 -0.078 0.000 1.038 346 V CB 1.292 33.024 31.823 -0.151 0.000 1.003 346 V HN 0.854 nan 8.190 nan 0.000 0.481 347 D N 2.285 122.632 120.400 -0.088 0.000 2.382 347 D HA 0.365 5.005 4.640 0.000 0.000 0.245 347 D C -0.283 176.017 176.300 -0.000 0.000 1.120 347 D CA 0.313 54.293 54.000 -0.033 0.000 0.890 347 D CB 1.073 41.864 40.800 -0.014 0.000 1.201 347 D HN 0.867 nan 8.370 nan 0.000 0.433 348 Q N 2.411 122.253 119.800 0.070 0.000 2.337 348 Q HA 0.250 4.590 4.340 0.000 0.000 0.264 348 Q C -1.457 174.603 176.000 0.100 0.000 1.007 348 Q CA -0.844 55.048 55.803 0.148 0.000 0.727 348 Q CB 0.936 29.750 28.738 0.126 0.000 1.256 348 Q HN 0.523 nan 8.270 nan 0.000 0.467 349 D N 2.111 122.575 120.400 0.108 0.000 2.398 349 D HA 0.214 4.854 4.640 0.000 0.000 0.264 349 D C 0.239 176.565 176.300 0.043 0.000 1.263 349 D CA 0.054 54.092 54.000 0.064 0.000 1.037 349 D CB 0.451 41.287 40.800 0.059 0.000 1.101 349 D HN 0.462 nan 8.370 nan 0.000 0.551 350 A N -1.029 121.808 122.820 0.029 0.000 2.259 350 A HA 0.415 4.735 4.320 0.000 0.000 0.208 350 A C 1.118 178.707 177.584 0.010 0.000 1.201 350 A CA 0.563 52.611 52.037 0.019 0.000 0.824 350 A CB -0.998 18.012 19.000 0.017 0.000 0.838 350 A HN 0.574 nan 8.150 nan 0.000 0.485 351 G N -0.563 108.239 108.800 0.004 0.000 2.773 351 G HA2 0.427 4.387 3.960 0.000 0.000 0.186 351 G HA3 0.427 4.387 3.960 0.000 0.000 0.186 351 G C 0.020 174.900 174.900 -0.034 0.000 1.411 351 G CA -1.000 44.093 45.100 -0.012 0.000 1.054 351 G HN 0.432 nan 8.290 nan 0.000 0.579 352 R N -0.412 120.053 120.500 -0.058 0.000 2.698 352 R HA 0.139 4.479 4.340 0.000 0.000 0.266 352 R C -0.411 175.804 176.300 -0.141 0.000 1.026 352 R CA -0.422 55.629 56.100 -0.082 0.000 1.102 352 R CB 0.248 30.498 30.300 -0.083 0.000 0.978 352 R HN 0.079 nan 8.270 nan 0.000 0.436 353 L N 3.846 125.001 121.223 -0.113 0.000 2.331 353 L HA 0.152 4.492 4.340 0.000 0.000 0.278 353 L C 0.745 177.522 176.870 -0.155 0.000 1.106 353 L CA 0.149 54.928 54.840 -0.102 0.000 0.824 353 L CB 0.570 42.594 42.059 -0.059 0.000 1.142 353 L HN 0.481 nan 8.230 nan 0.000 0.443 354 H N 4.824 123.891 119.070 -0.005 0.000 2.732 354 H HA 0.073 4.629 4.556 0.000 0.000 0.351 354 H C -1.408 173.904 175.328 -0.026 0.000 1.090 354 H CA -1.337 54.714 56.048 0.005 0.000 1.431 354 H CB 0.837 30.612 29.762 0.022 0.000 1.447 354 H HN 0.340 nan 8.280 nan 0.000 0.582 355 P HA -0.167 nan 4.420 nan 0.000 0.216 355 P C 1.081 178.384 177.300 0.006 0.000 1.150 355 P CA 1.346 64.435 63.100 -0.017 0.000 0.843 355 P CB 0.406 32.187 31.700 0.135 0.000 0.787 356 E N -1.143 119.158 120.200 0.167 0.000 2.085 356 E HA -0.143 4.207 4.350 0.000 0.000 0.194 356 E C 1.958 178.629 176.600 0.117 0.000 0.994 356 E CA 1.772 58.289 56.400 0.195 0.000 0.801 356 E CB -1.317 28.459 29.700 0.125 0.000 0.743 356 E HN 0.259 nan 8.360 nan 0.000 0.453 357 T N 0.211 114.812 114.554 0.078 0.000 2.746 357 T HA -0.137 4.213 4.350 0.000 0.000 0.267 357 T C 2.021 176.709 174.700 -0.020 0.000 1.039 357 T CA 1.252 63.379 62.100 0.045 0.000 1.142 357 T CB -0.345 68.563 68.868 0.066 0.000 0.866 357 T HN -0.023 nan 8.240 nan 0.000 0.444 358 V N 0.978 120.813 119.914 -0.132 0.000 2.295 358 V HA -0.145 3.975 4.120 0.000 0.000 0.246 358 V C 2.181 178.142 176.094 -0.222 0.000 1.049 358 V CA 1.703 63.855 62.300 -0.248 0.000 1.024 358 V CB -0.862 30.694 31.823 -0.445 0.000 0.648 358 V HN 0.379 nan 8.190 nan 0.000 0.447 359 F N 0.575 120.531 119.950 0.011 0.000 2.186 359 F HA -0.108 4.419 4.527 0.000 0.000 0.299 359 F C 2.268 178.057 175.800 -0.019 0.000 1.090 359 F CA 1.348 59.332 58.000 -0.026 0.000 1.307 359 F CB -0.896 38.075 39.000 -0.049 0.000 1.019 359 F HN 0.195 nan 8.300 nan 0.000 0.489 360 D N -0.413 120.078 120.400 0.151 0.000 2.144 360 D HA -0.122 4.518 4.640 0.000 0.000 0.199 360 D C 2.284 178.625 176.300 0.068 0.000 0.984 360 D CA 1.768 55.824 54.000 0.093 0.000 0.834 360 D CB -0.733 40.110 40.800 0.071 0.000 0.955 360 D HN 0.193 nan 8.370 nan 0.000 0.465 361 T N 0.992 115.576 114.554 0.051 0.000 2.737 361 T HA -0.050 4.300 4.350 0.000 0.000 0.265 361 T C 2.251 176.987 174.700 0.061 0.000 1.038 361 T CA 0.474 62.599 62.100 0.041 0.000 1.144 361 T CB -0.300 68.580 68.868 0.020 0.000 0.866 361 T HN 0.106 nan 8.240 nan 0.000 0.434 362 L N 1.453 122.724 121.223 0.080 0.000 2.012 362 L HA -0.168 4.172 4.340 0.000 0.000 0.210 362 L C 2.761 179.723 176.870 0.152 0.000 1.073 362 L CA 1.344 56.267 54.840 0.137 0.000 0.748 362 L CB -0.649 41.530 42.059 0.201 0.000 0.891 362 L HN 0.380 nan 8.230 nan 0.000 0.431 363 N N -0.145 118.627 118.700 0.120 0.000 2.166 363 N HA -0.214 4.526 4.740 0.000 0.000 0.186 363 N C 1.301 176.857 175.510 0.078 0.000 1.019 363 N CA 1.576 54.686 53.050 0.099 0.000 0.856 363 N CB 0.047 38.568 38.487 0.057 0.000 0.993 363 N HN 0.321 nan 8.380 nan 0.000 0.426 364 D N 0.161 120.599 120.400 0.064 0.000 2.178 364 D HA -0.074 4.566 4.640 0.000 0.000 0.202 364 D C 1.737 178.063 176.300 0.044 0.000 0.974 364 D CA 1.027 55.055 54.000 0.046 0.000 0.841 364 D CB 0.048 40.871 40.800 0.039 0.000 0.953 364 D HN 0.450 nan 8.370 nan 0.000 0.478 365 M N -0.217 119.415 119.600 0.053 0.000 2.571 365 M HA 0.222 4.702 4.480 0.000 0.000 0.259 365 M C 0.865 177.188 176.300 0.039 0.000 1.205 365 M CA -0.101 55.223 55.300 0.041 0.000 1.138 365 M CB 0.684 33.307 32.600 0.038 0.000 1.329 365 M HN -0.194 nan 8.290 nan 0.000 0.503 366 A N 2.491 125.348 122.820 0.063 0.000 2.386 366 A HA 0.408 4.728 4.320 0.000 0.000 0.248 366 A C -2.124 175.471 177.584 0.018 0.000 1.082 366 A CA -1.067 50.995 52.037 0.042 0.000 0.789 366 A CB -0.694 18.361 19.000 0.092 0.000 1.025 366 A HN 0.110 nan 8.150 nan 0.000 0.490 367 P HA 0.105 nan 4.420 nan 0.000 0.272 367 P C 0.149 177.439 177.300 -0.017 0.000 1.230 367 P CA -0.087 63.000 63.100 -0.021 0.000 0.788 367 P CB 0.542 32.218 31.700 -0.040 0.000 0.949 368 E N 0.925 121.118 120.200 -0.011 0.000 2.265 368 E HA -0.172 4.178 4.350 0.000 0.000 0.196 368 E C 0.869 177.457 176.600 -0.019 0.000 0.996 368 E CA 1.062 57.458 56.400 -0.006 0.000 0.832 368 E CB -0.186 29.508 29.700 -0.010 0.000 0.756 368 E HN 0.523 nan 8.360 nan 0.000 0.491 369 N N 0.254 118.932 118.700 -0.037 0.000 2.273 369 N HA 0.122 4.862 4.740 0.000 0.000 0.231 369 N C -0.216 175.243 175.510 -0.084 0.000 1.134 369 N CA -0.042 52.979 53.050 -0.048 0.000 0.856 369 N CB 0.143 38.605 38.487 -0.040 0.000 1.068 369 N HN -0.066 nan 8.380 nan 0.000 0.510 370 A N 0.751 123.494 122.820 -0.129 0.000 2.492 370 A HA 0.387 4.707 4.320 0.000 0.000 0.236 370 A C 0.078 177.484 177.584 -0.297 0.000 1.078 370 A CA 0.043 51.919 52.037 -0.268 0.000 0.773 370 A CB 0.017 18.747 19.000 -0.451 0.000 1.023 370 A HN 0.419 nan 8.150 nan 0.000 0.504 371 I N 0.648 121.018 120.570 -0.334 0.000 2.436 371 I HA 0.347 4.517 4.170 0.000 0.000 0.289 371 I C -1.280 174.675 176.117 -0.270 0.000 1.010 371 I CA -0.264 60.924 61.300 -0.187 0.000 1.098 371 I CB 1.491 39.478 38.000 -0.022 0.000 1.266 371 I HN 0.604 nan 8.210 nan 0.000 0.434 372 Y N 5.974 126.297 120.300 0.037 0.000 2.420 372 Y HA 0.652 5.202 4.550 0.000 0.000 0.334 372 Y C -0.414 175.494 175.900 0.012 0.000 1.094 372 Y CA -0.808 57.312 58.100 0.033 0.000 1.126 372 Y CB 1.514 40.006 38.460 0.054 0.000 1.217 372 Y HN 0.305 nan 8.280 nan 0.000 0.462 373 L N 2.555 123.877 121.223 0.166 0.000 2.354 373 L HA 0.462 4.802 4.340 0.000 0.000 0.269 373 L C -0.638 176.288 176.870 0.092 0.000 1.005 373 L CA -0.675 54.208 54.840 0.073 0.000 0.819 373 L CB 1.618 43.720 42.059 0.072 0.000 1.311 373 L HN 0.562 nan 8.230 nan 0.000 0.423 374 N N 1.336 120.065 118.700 0.049 0.000 2.443 374 N HA 0.302 5.042 4.740 0.000 0.000 0.269 374 N C -0.773 174.911 175.510 0.290 0.000 0.985 374 N CA -0.200 52.974 53.050 0.208 0.000 0.921 374 N CB 1.268 39.918 38.487 0.272 0.000 1.195 374 N HN 0.690 nan 8.380 nan 0.000 0.492 375 E N 1.762 122.109 120.200 0.246 0.000 3.729 375 E HA 0.141 4.491 4.350 0.000 0.000 0.195 375 E C -1.228 175.503 176.600 0.219 0.000 1.005 375 E CA -0.095 56.433 56.400 0.213 0.000 1.356 375 E CB 0.239 30.024 29.700 0.143 0.000 1.138 375 E HN 0.346 nan 8.360 nan 0.000 0.450 376 S N 0.315 116.171 115.700 0.260 0.000 2.567 376 S HA 0.092 4.562 4.470 0.000 0.000 0.262 376 S C 1.196 175.949 174.600 0.255 0.000 1.237 376 S CA -0.238 58.106 58.200 0.241 0.000 1.093 376 S CB 0.391 63.745 63.200 0.257 0.000 1.095 376 S HN 0.400 nan 8.310 nan 0.000 0.489 377 T N 0.614 115.311 114.554 0.239 0.000 2.995 377 T HA -0.087 4.263 4.350 0.000 0.000 0.269 377 T C 1.723 176.524 174.700 0.169 0.000 1.091 377 T CA 1.165 63.410 62.100 0.241 0.000 1.128 377 T CB -0.335 68.669 68.868 0.226 0.000 0.891 377 T HN 0.634 nan 8.240 nan 0.000 0.492 378 S N 1.328 117.118 115.700 0.150 0.000 2.575 378 S HA 0.066 4.536 4.470 0.000 0.000 0.215 378 S C 1.662 176.309 174.600 0.078 0.000 0.966 378 S CA 0.329 58.579 58.200 0.084 0.000 0.911 378 S CB -0.503 62.763 63.200 0.110 0.000 0.780 378 S HN 0.690 nan 8.310 nan 0.000 0.514 379 T N -3.023 111.619 114.554 0.146 0.000 3.084 379 T HA 0.223 4.573 4.350 0.000 0.000 0.270 379 T C 1.215 175.988 174.700 0.122 0.000 1.008 379 T CA 0.222 62.439 62.100 0.194 0.000 0.900 379 T CB -0.193 68.899 68.868 0.373 0.000 1.084 379 T HN 0.160 nan 8.240 nan 0.000 0.538 380 T N 2.244 116.850 114.554 0.086 0.000 2.720 380 T HA -0.013 4.337 4.350 0.000 0.000 0.268 380 T C 2.392 177.122 174.700 0.049 0.000 1.037 380 T CA 1.579 63.722 62.100 0.073 0.000 1.144 380 T CB -0.679 68.225 68.868 0.061 0.000 0.864 380 T HN 0.633 nan 8.240 nan 0.000 0.444 381 A N 1.390 124.207 122.820 -0.005 0.000 1.902 381 A HA -0.152 4.168 4.320 0.000 0.000 0.217 381 A C 2.395 179.969 177.584 -0.017 0.000 1.181 381 A CA 1.236 53.261 52.037 -0.019 0.000 0.623 381 A CB -0.503 18.460 19.000 -0.062 0.000 0.818 381 A HN 0.311 nan 8.150 nan 0.000 0.443 382 Q N -1.105 118.672 119.800 -0.038 0.000 2.119 382 Q HA -0.125 4.215 4.340 0.000 0.000 0.201 382 Q C 2.099 177.913 176.000 -0.310 0.000 0.972 382 Q CA 1.540 57.310 55.803 -0.055 0.000 0.847 382 Q CB -0.495 28.302 28.738 0.098 0.000 0.903 382 Q HN 0.818 nan 8.270 nan 0.000 0.433 383 M N -1.118 118.072 119.600 -0.682 0.000 2.080 383 M HA -0.210 4.270 4.480 0.000 0.000 0.260 383 M C 1.581 177.535 176.300 -0.576 0.000 1.068 383 M CA 1.735 56.327 55.300 -1.180 0.000 1.109 383 M CB -0.215 31.754 32.600 -1.052 0.000 1.342 383 M HN 0.197 nan 8.290 nan 0.000 0.405 384 W N 0.658 121.723 121.300 -0.392 0.000 2.374 384 W HA -0.177 4.483 4.660 0.000 0.000 0.288 384 W C 2.409 178.826 176.519 -0.169 0.000 1.218 384 W CA 1.385 58.562 57.345 -0.280 0.000 1.245 384 W CB -0.235 29.085 29.460 -0.233 0.000 1.126 384 W HN 0.361 nan 8.180 nan 0.000 0.545 385 Q N -0.589 119.248 119.800 0.062 0.000 2.172 385 Q HA -0.094 4.246 4.340 0.000 0.000 0.200 385 Q C 1.941 177.940 176.000 -0.001 0.000 0.964 385 Q CA 1.128 56.958 55.803 0.045 0.000 0.855 385 Q CB -0.167 28.585 28.738 0.024 0.000 0.918 385 Q HN 0.300 nan 8.270 nan 0.000 0.444 386 R N -0.548 119.908 120.500 -0.074 0.000 2.308 386 R HA 0.228 4.568 4.340 0.000 0.000 0.202 386 R C -0.100 176.156 176.300 -0.074 0.000 0.898 386 R CA -0.038 56.039 56.100 -0.039 0.000 1.046 386 R CB 0.630 30.949 30.300 0.033 0.000 1.026 386 R HN 0.079 nan 8.270 nan 0.000 0.512 387 L N 1.508 122.621 121.223 -0.184 0.000 2.272 387 L HA 0.278 4.618 4.340 0.000 0.000 0.289 387 L C -0.346 176.438 176.870 -0.145 0.000 1.032 387 L CA -0.520 54.186 54.840 -0.223 0.000 0.810 387 L CB 1.489 43.244 42.059 -0.508 0.000 1.205 387 L HN 0.099 nan 8.230 nan 0.000 0.422 388 N N 4.793 123.457 118.700 -0.060 0.000 2.402 388 N HA 0.300 5.040 4.740 0.000 0.000 0.252 388 N C -0.808 174.685 175.510 -0.028 0.000 1.118 388 N CA -0.383 52.644 53.050 -0.039 0.000 0.945 388 N CB 0.530 39.012 38.487 -0.008 0.000 1.147 388 N HN 0.561 nan 8.380 nan 0.000 0.495 389 M N 3.697 123.248 119.600 -0.081 0.000 2.027 389 M HA 0.237 4.717 4.480 0.000 0.000 0.329 389 M C 0.727 176.966 176.300 -0.100 0.000 0.971 389 M CA -0.431 54.829 55.300 -0.066 0.000 0.933 389 M CB 1.510 34.039 32.600 -0.119 0.000 1.392 389 M HN 0.480 nan 8.290 nan 0.000 0.394 390 R N 0.315 120.773 120.500 -0.070 0.000 2.161 390 R HA 0.147 4.487 4.340 0.000 0.000 0.213 390 R C 0.362 176.601 176.300 -0.102 0.000 1.055 390 R CA 0.683 56.729 56.100 -0.089 0.000 0.996 390 R CB 0.246 30.510 30.300 -0.059 0.000 0.901 390 R HN 0.591 nan 8.270 nan 0.000 0.456 391 N N 0.828 119.481 118.700 -0.078 0.000 2.443 391 N HA 0.302 5.042 4.740 0.000 0.000 0.293 391 N C -2.615 172.856 175.510 -0.065 0.000 1.159 391 N CA -1.652 51.357 53.050 -0.068 0.000 0.904 391 N CB 1.288 39.748 38.487 -0.046 0.000 1.214 391 N HN -0.223 nan 8.380 nan 0.000 0.513 392 P HA 0.097 nan 4.420 nan 0.000 0.271 392 P C 0.422 177.711 177.300 -0.018 0.000 1.244 392 P CA 0.227 63.306 63.100 -0.034 0.000 0.793 392 P CB 0.252 31.940 31.700 -0.021 0.000 0.984 393 G N 0.355 109.148 108.800 -0.012 0.000 2.323 393 G HA2 -0.262 3.698 3.960 0.000 0.000 0.292 393 G HA3 -0.262 3.698 3.960 0.000 0.000 0.292 393 G C 0.649 175.542 174.900 -0.011 0.000 1.040 393 G CA 0.534 45.644 45.100 0.016 0.000 0.942 393 G HN 0.440 nan 8.290 nan 0.000 0.506 394 S N -1.642 114.011 115.700 -0.079 0.000 2.523 394 S HA 0.363 4.833 4.470 0.000 0.000 0.217 394 S C 0.001 174.617 174.600 0.027 0.000 0.996 394 S CA 0.232 58.422 58.200 -0.017 0.000 0.921 394 S CB 0.553 63.751 63.200 -0.003 0.000 0.829 394 S HN 0.746 nan 8.310 nan 0.000 0.495 395 Y N 0.793 120.890 120.300 -0.340 0.000 2.479 395 Y HA 0.563 5.113 4.550 0.000 0.000 0.338 395 Y C -2.140 173.442 175.900 -0.530 0.000 1.055 395 Y CA -1.375 56.555 58.100 -0.283 0.000 1.023 395 Y CB 1.043 39.314 38.460 -0.314 0.000 1.287 395 Y HN 0.041 nan 8.280 nan 0.000 0.447 396 Y N 6.418 126.524 120.300 -0.322 0.000 2.457 396 Y HA 0.577 5.127 4.550 0.000 0.000 0.343 396 Y C -1.397 174.388 175.900 -0.192 0.000 0.994 396 Y CA -1.230 56.806 58.100 -0.108 0.000 1.031 396 Y CB 2.107 40.678 38.460 0.185 0.000 1.246 396 Y HN 0.590 nan 8.280 nan 0.000 0.449 397 F N 2.816 122.742 119.950 -0.040 0.000 2.581 397 F HA 0.559 5.086 4.527 0.000 0.000 0.311 397 F C -0.301 175.413 175.800 -0.144 0.000 1.113 397 F CA -1.762 56.233 58.000 -0.009 0.000 0.935 397 F CB 0.924 39.975 39.000 0.084 0.000 1.232 397 F HN 0.757 nan 8.300 nan 0.000 0.445 398 C N 4.325 123.076 119.300 -0.916 0.000 2.255 398 C HA 0.371 4.831 4.460 0.000 0.000 0.401 398 C C 1.583 176.159 174.990 -0.691 0.000 1.529 398 C CA 0.040 58.460 59.018 -0.996 0.000 1.418 398 C CB -1.296 26.023 27.740 -0.701 0.000 2.522 398 C HN 1.043 nan 8.230 nan 0.000 0.616 399 A N 3.263 125.782 122.820 -0.501 0.000 2.015 399 A HA 0.303 4.623 4.320 0.000 0.000 0.219 399 A C 2.192 179.701 177.584 -0.125 0.000 1.163 399 A CA 1.525 53.446 52.037 -0.194 0.000 0.646 399 A CB -0.345 18.545 19.000 -0.183 0.000 0.806 399 A HN 1.649 nan 8.150 nan 0.000 0.448 400 A N -2.241 120.472 122.820 -0.178 0.000 2.470 400 A HA 0.473 4.793 4.320 0.000 0.000 0.251 400 A C 1.538 179.029 177.584 -0.155 0.000 1.245 400 A CA 0.943 52.911 52.037 -0.116 0.000 0.932 400 A CB -0.561 18.394 19.000 -0.076 0.000 1.037 400 A HN 1.764 nan 8.150 nan 0.000 0.522 401 G N -1.028 107.632 108.800 -0.234 0.000 2.148 401 G HA2 -0.077 3.883 3.960 0.000 0.000 0.254 401 G HA3 -0.077 3.883 3.960 0.000 0.000 0.254 401 G C 0.649 175.404 174.900 -0.242 0.000 0.981 401 G CA 0.197 45.150 45.100 -0.244 0.000 0.670 401 G HN 1.456 nan 8.290 nan 0.000 0.528 402 G N 0.175 108.831 108.800 -0.240 0.000 2.338 402 G HA2 0.593 4.553 3.960 0.000 0.000 0.295 402 G HA3 0.593 4.553 3.960 0.000 0.000 0.295 402 G C 0.511 175.264 174.900 -0.245 0.000 1.132 402 G CA -0.595 44.376 45.100 -0.215 0.000 0.922 402 G HN 0.591 nan 8.290 nan 0.000 0.427 403 L N 1.752 122.755 121.223 -0.367 0.000 2.467 403 L HA 0.429 4.769 4.340 0.000 0.000 0.270 403 L C 1.541 178.223 176.870 -0.313 0.000 1.205 403 L CA 0.807 55.392 54.840 -0.426 0.000 0.828 403 L CB 0.873 42.474 42.059 -0.763 0.000 1.101 403 L HN 0.848 nan 8.230 nan 0.000 0.479 404 G N 1.269 110.029 108.800 -0.066 0.000 2.179 404 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 404 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 404 G C 0.255 175.211 174.900 0.093 0.000 0.990 404 G CA 0.321 45.473 45.100 0.087 0.000 0.646 404 G HN 0.642 nan 8.290 nan 0.000 0.517 405 F N 1.696 121.608 119.950 -0.063 0.000 2.147 405 F HA 0.496 5.023 4.527 0.000 0.000 0.291 405 F C 2.498 178.282 175.800 -0.027 0.000 1.093 405 F CA 2.082 60.044 58.000 -0.065 0.000 1.263 405 F CB -0.442 38.486 39.000 -0.120 0.000 1.036 405 F HN 0.231 nan 8.300 nan 0.000 0.481 406 A N 0.808 123.558 122.820 -0.117 0.000 1.969 406 A HA -0.094 4.226 4.320 0.000 0.000 0.218 406 A C 2.280 179.778 177.584 -0.144 0.000 1.169 406 A CA 1.559 53.462 52.037 -0.224 0.000 0.635 406 A CB -1.212 17.822 19.000 0.057 0.000 0.810 406 A HN 0.584 nan 8.150 nan 0.000 0.445 407 L N 0.202 121.420 121.223 -0.008 0.000 1.976 407 L HA -0.075 4.265 4.340 0.000 0.000 0.209 407 L C -0.399 176.512 176.870 0.069 0.000 1.071 407 L CA 1.854 56.763 54.840 0.115 0.000 0.746 407 L CB -0.735 41.368 42.059 0.072 0.000 0.890 407 L HN 0.251 nan 8.230 nan 0.000 0.432 408 P HA -0.158 nan 4.420 nan 0.000 0.216 408 P C 1.297 178.485 177.300 -0.186 0.000 1.153 408 P CA 2.006 65.058 63.100 -0.081 0.000 0.848 408 P CB -0.116 31.533 31.700 -0.085 0.000 0.787 409 A N 0.651 123.220 122.820 -0.419 0.000 1.972 409 A HA -0.076 4.244 4.320 0.000 0.000 0.219 409 A C 2.487 179.859 177.584 -0.352 0.000 1.169 409 A CA 2.105 53.807 52.037 -0.559 0.000 0.635 409 A CB -1.535 16.683 19.000 -1.304 0.000 0.810 409 A HN 0.234 nan 8.150 nan 0.000 0.446 410 A N -0.018 122.656 122.820 -0.243 0.000 1.972 410 A HA -0.077 4.243 4.320 0.000 0.000 0.219 410 A C 2.065 179.583 177.584 -0.109 0.000 1.169 410 A CA 1.497 53.441 52.037 -0.156 0.000 0.635 410 A CB -0.575 18.349 19.000 -0.127 0.000 0.810 410 A HN 0.534 nan 8.150 nan 0.000 0.446 411 I N -0.539 120.014 120.570 -0.028 0.000 2.252 411 I HA -0.149 4.021 4.170 0.000 0.000 0.245 411 I C 2.690 178.809 176.117 0.003 0.000 1.102 411 I CA 1.084 62.397 61.300 0.023 0.000 1.385 411 I CB -0.657 37.402 38.000 0.099 0.000 1.064 411 I HN 0.371 nan 8.210 nan 0.000 0.414 412 G N 0.636 109.411 108.800 -0.041 0.000 2.408 412 G HA2 -0.152 3.808 3.960 0.000 0.000 0.217 412 G HA3 -0.152 3.808 3.960 0.000 0.000 0.217 412 G C 1.723 176.655 174.900 0.053 0.000 1.150 412 G CA 0.734 45.842 45.100 0.013 0.000 0.776 412 G HN 0.224 nan 8.290 nan 0.000 0.542 413 V N 0.567 120.430 119.914 -0.084 0.000 2.295 413 V HA -0.220 3.900 4.120 0.000 0.000 0.246 413 V C 2.766 178.838 176.094 -0.036 0.000 1.049 413 V CA 2.245 64.480 62.300 -0.109 0.000 1.024 413 V CB -0.449 31.266 31.823 -0.180 0.000 0.648 413 V HN 0.421 nan 8.190 nan 0.000 0.447 414 Q N -0.173 119.607 119.800 -0.032 0.000 2.124 414 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 414 Q C 1.937 177.956 176.000 0.032 0.000 0.977 414 Q CA 1.706 57.497 55.803 -0.020 0.000 0.850 414 Q CB -0.529 28.181 28.738 -0.046 0.000 0.901 414 Q HN 0.543 nan 8.270 nan 0.000 0.429 415 L N -0.080 121.196 121.223 0.088 0.000 2.046 415 L HA -0.040 4.300 4.340 0.000 0.000 0.208 415 L C 2.029 179.031 176.870 0.219 0.000 1.077 415 L CA 2.215 57.152 54.840 0.161 0.000 0.747 415 L CB -0.947 41.234 42.059 0.204 0.000 0.896 415 L HN 0.248 nan 8.230 nan 0.000 0.432 416 A N -1.677 121.256 122.820 0.187 0.000 2.014 416 A HA -0.042 4.278 4.320 0.000 0.000 0.218 416 A C 1.196 178.758 177.584 -0.037 0.000 1.163 416 A CA 1.078 53.094 52.037 -0.035 0.000 0.652 416 A CB -0.220 18.582 19.000 -0.330 0.000 0.808 416 A HN 0.455 nan 8.150 nan 0.000 0.449 417 E N -0.528 119.665 120.200 -0.012 0.000 3.568 417 E HA 0.160 4.510 4.350 0.000 0.000 0.213 417 E C -2.145 174.449 176.600 -0.010 0.000 1.197 417 E CA -1.567 54.822 56.400 -0.018 0.000 1.126 417 E CB 0.863 30.550 29.700 -0.022 0.000 1.285 417 E HN 0.378 nan 8.360 nan 0.000 0.418 418 P HA -0.121 nan 4.420 nan 0.000 0.222 418 P C 0.724 178.018 177.300 -0.012 0.000 1.147 418 P CA 0.991 64.091 63.100 0.001 0.000 0.790 418 P CB 0.577 32.283 31.700 0.011 0.000 0.780 419 E N -0.404 119.787 120.200 -0.015 0.000 2.479 419 E HA 0.073 4.423 4.350 0.000 0.000 0.193 419 E C 0.575 177.157 176.600 -0.030 0.000 1.049 419 E CA 0.198 56.586 56.400 -0.020 0.000 0.870 419 E CB 0.189 29.878 29.700 -0.017 0.000 0.944 419 E HN 0.415 nan 8.360 nan 0.000 0.492 420 R N 1.283 121.762 120.500 -0.036 0.000 2.393 420 R HA 0.234 4.574 4.340 0.000 0.000 0.315 420 R C -0.258 175.998 176.300 -0.073 0.000 0.952 420 R CA -0.742 55.326 56.100 -0.053 0.000 0.842 420 R CB 1.337 31.608 30.300 -0.047 0.000 1.163 420 R HN -0.146 nan 8.270 nan 0.000 0.450 421 Q N 2.481 122.225 119.800 -0.092 0.000 2.286 421 Q HA 0.120 4.460 4.340 0.000 0.000 0.267 421 Q C -0.841 175.059 176.000 -0.166 0.000 1.028 421 Q CA 0.075 55.810 55.803 -0.115 0.000 0.901 421 Q CB 0.965 29.637 28.738 -0.110 0.000 1.183 421 Q HN 0.394 nan 8.270 nan 0.000 0.392 422 V N 6.674 126.493 119.914 -0.158 0.000 2.509 422 V HA 0.403 4.523 4.120 0.000 0.000 0.284 422 V C 0.140 176.101 176.094 -0.220 0.000 1.047 422 V CA -0.380 61.809 62.300 -0.184 0.000 0.952 422 V CB 1.006 32.736 31.823 -0.156 0.000 0.988 422 V HN 0.735 nan 8.190 nan 0.000 0.469 423 I N 4.132 124.575 120.570 -0.212 0.000 2.476 423 I HA 0.573 4.743 4.170 0.000 0.000 0.281 423 I C 0.067 176.179 176.117 -0.009 0.000 1.040 423 I CA -0.469 60.752 61.300 -0.132 0.000 1.094 423 I CB 1.703 39.651 38.000 -0.088 0.000 1.219 423 I HN 0.647 nan 8.210 nan 0.000 0.450 424 A N 6.554 129.340 122.820 -0.056 0.000 2.260 424 A HA 0.718 5.038 4.320 0.000 0.000 0.308 424 A C -0.403 177.258 177.584 0.129 0.000 1.254 424 A CA -0.427 51.639 52.037 0.047 0.000 0.874 424 A CB 0.833 19.851 19.000 0.029 0.000 1.153 424 A HN 0.449 nan 8.150 nan 0.000 0.527 425 V N 4.917 124.938 119.914 0.180 0.000 2.311 425 V HA 0.380 4.500 4.120 0.000 0.000 0.275 425 V C -0.291 175.911 176.094 0.179 0.000 1.022 425 V CA 0.079 62.492 62.300 0.188 0.000 0.830 425 V CB 0.187 32.177 31.823 0.278 0.000 1.012 425 V HN 0.718 nan 8.190 nan 0.000 0.452 426 I N 3.533 124.183 120.570 0.132 0.000 2.498 426 I HA 0.609 4.779 4.170 0.000 0.000 0.290 426 I C 0.924 177.080 176.117 0.064 0.000 1.032 426 I CA -0.472 60.900 61.300 0.120 0.000 1.073 426 I CB 2.084 40.158 38.000 0.124 0.000 1.251 426 I HN 0.642 nan 8.210 nan 0.000 0.426 427 G N 2.686 111.548 108.800 0.104 0.000 2.606 427 G HA2 0.087 4.047 3.960 0.000 0.000 0.252 427 G HA3 0.087 4.047 3.960 0.000 0.000 0.252 427 G C 0.764 175.684 174.900 0.032 0.000 1.206 427 G CA -0.253 44.897 45.100 0.083 0.000 0.861 427 G HN 0.812 nan 8.290 nan 0.000 0.561 428 D N 0.181 120.581 120.400 -0.001 0.000 2.144 428 D HA -0.098 4.542 4.640 0.000 0.000 0.199 428 D C 2.144 178.610 176.300 0.276 0.000 0.984 428 D CA 1.357 55.361 54.000 0.006 0.000 0.834 428 D CB -0.837 40.031 40.800 0.114 0.000 0.955 428 D HN 0.463 nan 8.370 nan 0.000 0.465 429 G N 0.409 109.384 108.800 0.290 0.000 2.414 429 G HA2 -0.224 3.736 3.960 0.000 0.000 0.215 429 G HA3 -0.224 3.736 3.960 0.000 0.000 0.215 429 G C 1.867 177.090 174.900 0.538 0.000 1.188 429 G CA 1.021 46.396 45.100 0.457 0.000 0.783 429 G HN 0.347 nan 8.290 nan 0.000 0.537 430 S N 1.116 117.097 115.700 0.467 0.000 2.400 430 S HA -0.036 4.434 4.470 0.000 0.000 0.232 430 S C 2.703 177.552 174.600 0.415 0.000 1.025 430 S CA 1.107 59.580 58.200 0.453 0.000 0.993 430 S CB -0.326 63.023 63.200 0.248 0.000 0.808 430 S HN 0.585 nan 8.310 nan 0.000 0.478 431 A N 2.437 125.434 122.820 0.295 0.000 2.019 431 A HA -0.128 4.192 4.320 0.000 0.000 0.219 431 A C 1.842 179.589 177.584 0.272 0.000 1.164 431 A CA 1.285 53.470 52.037 0.246 0.000 0.644 431 A CB -0.442 18.675 19.000 0.194 0.000 0.805 431 A HN 0.500 nan 8.150 nan 0.000 0.449 432 N N -1.386 117.471 118.700 0.262 0.000 2.409 432 N HA -0.082 4.658 4.740 0.000 0.000 0.179 432 N C 1.294 176.840 175.510 0.061 0.000 1.032 432 N CA 1.073 54.192 53.050 0.116 0.000 0.898 432 N CB -0.372 38.115 38.487 0.001 0.000 0.971 432 N HN 0.646 nan 8.380 nan 0.000 0.441 433 Y N 1.272 121.644 120.300 0.120 0.000 2.224 433 Y HA -0.016 4.534 4.550 0.000 0.000 0.289 433 Y C 1.434 177.371 175.900 0.063 0.000 1.146 433 Y CA 0.866 59.018 58.100 0.087 0.000 1.182 433 Y CB 0.078 38.585 38.460 0.079 0.000 0.983 433 Y HN -0.096 nan 8.280 nan 0.000 0.524 434 S N -0.677 115.144 115.700 0.201 0.000 2.668 434 S HA 0.141 4.611 4.470 0.000 0.000 0.244 434 S C 1.116 175.748 174.600 0.053 0.000 1.140 434 S CA -0.318 57.944 58.200 0.103 0.000 1.134 434 S CB -0.107 63.142 63.200 0.081 0.000 0.954 434 S HN 0.230 nan 8.310 nan 0.000 0.490 435 I N 2.769 123.383 120.570 0.074 0.000 2.335 435 I HA -0.183 3.987 4.170 0.000 0.000 0.251 435 I C 2.317 178.416 176.117 -0.030 0.000 1.129 435 I CA 1.746 63.091 61.300 0.075 0.000 1.402 435 I CB -0.208 37.883 38.000 0.151 0.000 1.069 435 I HN 0.470 nan 8.210 nan 0.000 0.424 436 S N 0.610 116.237 115.700 -0.121 0.000 2.474 436 S HA -0.037 4.433 4.470 0.000 0.000 0.235 436 S C 2.215 176.573 174.600 -0.403 0.000 0.997 436 S CA 0.607 58.497 58.200 -0.517 0.000 0.949 436 S CB -0.925 62.077 63.200 -0.329 0.000 0.766 436 S HN 0.492 nan 8.310 nan 0.000 0.517 437 A N 2.304 125.023 122.820 -0.167 0.000 2.032 437 A HA 0.016 4.336 4.320 0.000 0.000 0.221 437 A C 2.178 179.719 177.584 -0.072 0.000 1.165 437 A CA 1.472 53.466 52.037 -0.072 0.000 0.645 437 A CB -0.948 18.031 19.000 -0.034 0.000 0.807 437 A HN 0.587 nan 8.150 nan 0.000 0.453 438 L N -2.682 118.439 121.223 -0.171 0.000 2.089 438 L HA -0.266 4.074 4.340 0.000 0.000 0.213 438 L C 2.446 179.326 176.870 0.016 0.000 1.079 438 L CA 1.880 56.636 54.840 -0.140 0.000 0.758 438 L CB -0.551 41.441 42.059 -0.112 0.000 0.891 438 L HN 0.761 nan 8.230 nan 0.000 0.433 439 W N 0.966 122.133 121.300 -0.222 0.000 2.338 439 W HA -0.243 4.417 4.660 -0.000 0.000 0.304 439 W C 2.576 179.108 176.519 0.022 0.000 1.212 439 W CA 2.278 59.576 57.345 -0.078 0.000 1.264 439 W CB -0.374 28.977 29.460 -0.181 0.000 1.142 439 W HN -0.005 nan 8.180 nan 0.000 0.512 440 T N 0.407 115.060 114.554 0.164 0.000 2.788 440 T HA -0.206 4.144 4.350 0.000 0.000 0.268 440 T C 1.944 176.700 174.700 0.094 0.000 1.044 440 T CA 1.912 64.096 62.100 0.141 0.000 1.139 440 T CB -0.922 68.085 68.868 0.231 0.000 0.867 440 T HN 0.262 nan 8.240 nan 0.000 0.454 441 A N 1.481 124.353 122.820 0.088 0.000 1.902 441 A HA 0.122 4.442 4.320 0.000 0.000 0.217 441 A C 2.648 180.248 177.584 0.027 0.000 1.181 441 A CA 1.878 53.983 52.037 0.114 0.000 0.623 441 A CB -1.113 18.025 19.000 0.230 0.000 0.818 441 A HN 0.514 nan 8.150 nan 0.000 0.443 442 A N -1.306 121.475 122.820 -0.064 0.000 1.877 442 A HA -0.170 4.150 4.320 0.000 0.000 0.216 442 A C 2.146 179.562 177.584 -0.279 0.000 1.186 442 A CA 1.659 53.612 52.037 -0.141 0.000 0.620 442 A CB -0.485 18.429 19.000 -0.143 0.000 0.822 442 A HN 0.469 nan 8.150 nan 0.000 0.443 443 Q N -1.266 118.210 119.800 -0.541 0.000 2.119 443 Q HA -0.129 4.211 4.340 0.000 0.000 0.201 443 Q C 1.223 176.854 176.000 -0.616 0.000 0.972 443 Q CA 1.491 56.847 55.803 -0.746 0.000 0.847 443 Q CB -0.341 27.612 28.738 -1.308 0.000 0.903 443 Q HN 0.878 nan 8.270 nan 0.000 0.433 444 Y N -0.066 120.108 120.300 -0.209 0.000 2.468 444 Y HA 0.120 4.670 4.550 0.000 0.000 0.268 444 Y C 0.409 176.266 175.900 -0.071 0.000 1.177 444 Y CA -0.373 57.661 58.100 -0.111 0.000 1.265 444 Y CB -0.018 38.393 38.460 -0.081 0.000 1.103 444 Y HN 0.115 nan 8.280 nan 0.000 0.522 445 N N 1.331 120.037 118.700 0.011 0.000 2.705 445 N HA -0.228 4.512 4.740 0.000 0.000 0.255 445 N C -1.064 174.473 175.510 0.045 0.000 1.008 445 N CA 0.340 53.398 53.050 0.015 0.000 0.742 445 N CB -1.241 37.243 38.487 -0.005 0.000 0.906 445 N HN 0.382 nan 8.380 nan 0.000 0.541 446 I N 1.156 121.766 120.570 0.067 0.000 2.301 446 I HA 0.211 4.381 4.170 0.000 0.000 0.292 446 I C -1.456 174.685 176.117 0.039 0.000 1.046 446 I CA -1.828 59.507 61.300 0.059 0.000 1.282 446 I CB 1.251 39.296 38.000 0.076 0.000 1.409 446 I HN 0.067 nan 8.210 nan 0.000 0.484 447 P HA 0.075 nan 4.420 nan 0.000 0.226 447 P C -0.094 177.164 177.300 -0.071 0.000 1.758 447 P CA -0.242 62.851 63.100 -0.012 0.000 0.896 447 P CB -0.471 31.221 31.700 -0.013 0.000 1.784 448 T N 1.403 115.886 114.554 -0.119 0.000 2.926 448 T HA 0.194 4.544 4.350 0.000 0.000 0.307 448 T C 0.773 175.209 174.700 -0.439 0.000 1.059 448 T CA 0.461 62.360 62.100 -0.334 0.000 1.122 448 T CB 0.563 69.120 68.868 -0.518 0.000 0.972 448 T HN 0.094 nan 8.240 nan 0.000 0.545 449 I N 3.091 123.388 120.570 -0.454 0.000 2.354 449 I HA 0.360 4.530 4.170 0.000 0.000 0.292 449 I C -0.765 175.085 176.117 -0.445 0.000 0.989 449 I CA -0.609 60.506 61.300 -0.309 0.000 1.188 449 I CB 0.840 38.760 38.000 -0.134 0.000 1.342 449 I HN 0.502 nan 8.210 nan 0.000 0.457 450 F N 5.807 125.773 119.950 0.026 0.000 2.388 450 F HA 0.422 4.949 4.527 0.000 0.000 0.358 450 F C 0.006 175.816 175.800 0.018 0.000 1.122 450 F CA -0.915 57.101 58.000 0.027 0.000 1.056 450 F CB 1.384 40.403 39.000 0.032 0.000 1.155 450 F HN 0.008 nan 8.300 nan 0.000 0.461 451 V N 5.623 125.627 119.914 0.151 0.000 2.294 451 V HA 0.291 4.411 4.120 0.000 0.000 0.272 451 V C 0.011 176.127 176.094 0.036 0.000 1.027 451 V CA -0.597 61.749 62.300 0.076 0.000 0.823 451 V CB 0.674 32.528 31.823 0.052 0.000 1.030 451 V HN 0.440 nan 8.190 nan 0.000 0.457 452 I N 5.910 126.464 120.570 -0.027 0.000 2.352 452 I HA 0.321 4.491 4.170 0.000 0.000 0.290 452 I C 0.265 176.291 176.117 -0.151 0.000 1.036 452 I CA -0.308 60.896 61.300 -0.161 0.000 1.336 452 I CB 1.319 39.072 38.000 -0.411 0.000 1.407 452 I HN 0.446 nan 8.210 nan 0.000 0.497 453 M N 5.761 125.292 119.600 -0.116 0.000 2.435 453 M HA 0.146 4.626 4.480 0.000 0.000 0.344 453 M C 0.183 176.441 176.300 -0.071 0.000 1.329 453 M CA -0.156 55.102 55.300 -0.070 0.000 1.320 453 M CB -0.649 31.942 32.600 -0.015 0.000 1.309 453 M HN 0.357 nan 8.290 nan 0.000 0.451 454 N N 3.583 122.242 118.700 -0.067 0.000 2.602 454 N HA 0.084 4.824 4.740 0.000 0.000 0.238 454 N C 0.348 175.875 175.510 0.028 0.000 1.084 454 N CA -0.049 52.993 53.050 -0.014 0.000 0.952 454 N CB 0.324 38.833 38.487 0.037 0.000 1.244 454 N HN 0.433 nan 8.380 nan 0.000 0.512 455 N N 2.268 120.994 118.700 0.043 0.000 2.280 455 N HA 0.124 4.864 4.740 0.000 0.000 0.192 455 N C 1.060 176.604 175.510 0.056 0.000 1.109 455 N CA 0.434 53.514 53.050 0.050 0.000 0.855 455 N CB -0.035 38.489 38.487 0.062 0.000 0.974 455 N HN 0.443 nan 8.380 nan 0.000 0.482 456 G N -1.593 107.245 108.800 0.063 0.000 2.162 456 G HA2 -0.242 3.718 3.960 0.000 0.000 0.260 456 G HA3 -0.242 3.718 3.960 0.000 0.000 0.260 456 G C 0.011 174.915 174.900 0.007 0.000 0.976 456 G CA 0.723 45.849 45.100 0.044 0.000 0.655 456 G HN 0.789 nan 8.290 nan 0.000 0.533 457 T N -1.586 112.981 114.554 0.021 0.000 2.821 457 T HA 0.523 4.873 4.350 0.000 0.000 0.306 457 T C -1.250 173.501 174.700 0.086 0.000 1.313 457 T CA -0.542 61.565 62.100 0.012 0.000 1.012 457 T CB 0.872 69.785 68.868 0.076 0.000 1.298 457 T HN 0.307 nan 8.240 nan 0.000 0.502 458 Y N 2.642 123.026 120.300 0.139 0.000 2.570 458 Y HA 0.311 4.861 4.550 -0.000 0.000 0.336 458 Y C 1.654 177.655 175.900 0.167 0.000 1.284 458 Y CA -0.413 57.784 58.100 0.160 0.000 1.761 458 Y CB -0.204 38.355 38.460 0.166 0.000 1.724 458 Y HN 0.831 nan 8.280 nan 0.000 0.455 459 G N 1.322 110.302 108.800 0.300 0.000 2.440 459 G HA2 -0.284 3.676 3.960 0.000 0.000 0.218 459 G HA3 -0.284 3.676 3.960 0.000 0.000 0.218 459 G C 1.804 176.871 174.900 0.278 0.000 1.154 459 G CA 0.898 46.147 45.100 0.247 0.000 0.767 459 G HN 0.628 nan 8.290 nan 0.000 0.552 460 A N 0.279 123.258 122.820 0.266 0.000 1.972 460 A HA 0.159 4.479 4.320 0.000 0.000 0.219 460 A C 2.413 180.215 177.584 0.364 0.000 1.169 460 A CA 1.074 53.273 52.037 0.270 0.000 0.635 460 A CB -0.275 18.843 19.000 0.198 0.000 0.810 460 A HN 0.371 nan 8.150 nan 0.000 0.446 461 L N -1.360 120.055 121.223 0.321 0.000 2.072 461 L HA -0.121 4.219 4.340 0.000 0.000 0.205 461 L C 2.822 179.884 176.870 0.320 0.000 1.079 461 L CA 1.070 56.104 54.840 0.324 0.000 0.752 461 L CB -0.510 41.703 42.059 0.257 0.000 0.906 461 L HN 0.355 nan 8.230 nan 0.000 0.436 462 R N -0.801 119.872 120.500 0.288 0.000 2.103 462 R HA -0.256 4.084 4.340 0.000 0.000 0.242 462 R C 2.083 178.521 176.300 0.230 0.000 1.142 462 R CA 2.220 58.454 56.100 0.224 0.000 0.960 462 R CB -0.500 29.923 30.300 0.204 0.000 0.858 462 R HN 0.418 nan 8.270 nan 0.000 0.439 463 W N 0.595 121.979 121.300 0.141 0.000 2.353 463 W HA -0.238 4.422 4.660 -0.000 0.000 0.319 463 W C 1.940 178.546 176.519 0.145 0.000 1.207 463 W CA 1.310 58.731 57.345 0.128 0.000 1.291 463 W CB -0.613 28.928 29.460 0.134 0.000 1.159 463 W HN -0.000 nan 8.180 nan 0.000 0.478 464 F N 1.256 121.382 119.950 0.295 0.000 2.269 464 F HA -0.125 4.402 4.527 0.000 0.000 0.301 464 F C 2.126 177.874 175.800 -0.087 0.000 1.082 464 F CA 2.036 60.071 58.000 0.057 0.000 1.360 464 F CB -0.944 38.193 39.000 0.229 0.000 1.041 464 F HN -0.039 nan 8.300 nan 0.000 0.512 465 A N 0.171 122.936 122.820 -0.093 0.000 1.855 465 A HA 0.012 4.332 4.320 0.000 0.000 0.215 465 A C 2.566 179.993 177.584 -0.261 0.000 1.191 465 A CA 1.506 53.431 52.037 -0.186 0.000 0.613 465 A CB -1.737 17.250 19.000 -0.021 0.000 0.829 465 A HN 0.448 nan 8.150 nan 0.000 0.442 466 G N -0.399 108.268 108.800 -0.221 0.000 2.440 466 G HA2 -0.156 3.804 3.960 0.000 0.000 0.218 466 G HA3 -0.156 3.804 3.960 0.000 0.000 0.218 466 G C 1.545 176.240 174.900 -0.341 0.000 1.154 466 G CA 1.301 46.261 45.100 -0.234 0.000 0.767 466 G HN 0.297 nan 8.290 nan 0.000 0.552 467 V N 0.954 120.541 119.914 -0.546 0.000 2.219 467 V HA -0.183 3.937 4.120 0.000 0.000 0.248 467 V C 2.816 178.659 176.094 -0.418 0.000 1.053 467 V CA 1.803 63.763 62.300 -0.566 0.000 1.009 467 V CB -0.464 30.868 31.823 -0.818 0.000 0.636 467 V HN 0.361 nan 8.190 nan 0.000 0.445 468 L N 1.116 122.031 121.223 -0.514 0.000 2.633 468 L HA -0.075 4.265 4.340 0.000 0.000 0.235 468 L C 1.489 178.209 176.870 -0.250 0.000 1.163 468 L CA 0.806 55.403 54.840 -0.406 0.000 0.859 468 L CB -0.712 41.014 42.059 -0.555 0.000 0.973 468 L HN 0.691 nan 8.230 nan 0.000 0.451 469 E N -0.313 119.754 120.200 -0.222 0.000 2.325 469 E HA -0.278 4.072 4.350 0.000 0.000 0.232 469 E C 0.089 176.619 176.600 -0.117 0.000 1.276 469 E CA 0.739 57.050 56.400 -0.149 0.000 0.717 469 E CB -1.821 27.811 29.700 -0.113 0.000 1.192 469 E HN 0.383 nan 8.360 nan 0.000 0.380 470 A N 1.248 123.987 122.820 -0.136 0.000 2.444 470 A HA 0.260 4.580 4.320 0.000 0.000 0.287 470 A C 0.345 177.897 177.584 -0.054 0.000 1.195 470 A CA 0.120 52.105 52.037 -0.086 0.000 0.858 470 A CB 0.133 19.080 19.000 -0.088 0.000 1.117 470 A HN 0.387 nan 8.150 nan 0.000 0.521 471 E N 1.741 121.920 120.200 -0.035 0.000 2.232 471 E HA 0.319 4.669 4.350 0.000 0.000 0.264 471 E C -0.302 176.296 176.600 -0.003 0.000 0.973 471 E CA -1.103 55.286 56.400 -0.018 0.000 0.849 471 E CB 0.687 30.374 29.700 -0.021 0.000 1.198 471 E HN 0.651 nan 8.360 nan 0.000 0.407 472 N N -0.218 118.486 118.700 0.006 0.000 2.740 472 N HA -0.148 4.592 4.740 0.000 0.000 0.248 472 N C -1.194 174.330 175.510 0.023 0.000 1.062 472 N CA 0.464 53.523 53.050 0.014 0.000 0.704 472 N CB -1.371 37.122 38.487 0.010 0.000 0.968 472 N HN 0.131 nan 8.380 nan 0.000 0.547 473 V N 1.643 121.577 119.914 0.032 0.000 2.406 473 V HA 0.350 4.471 4.120 0.000 0.000 0.272 473 V C -1.011 175.120 176.094 0.061 0.000 1.043 473 V CA -1.060 61.268 62.300 0.048 0.000 0.915 473 V CB 1.235 33.093 31.823 0.059 0.000 0.988 473 V HN 0.128 nan 8.190 nan 0.000 0.466 474 P HA 0.400 nan 4.420 nan 0.000 0.276 474 P C 0.610 177.969 177.300 0.098 0.000 1.252 474 P CA 0.301 63.442 63.100 0.068 0.000 0.802 474 P CB 1.085 32.819 31.700 0.056 0.000 1.035 475 G N 0.235 109.097 108.800 0.103 0.000 2.137 475 G HA2 -0.217 3.743 3.960 0.000 0.000 0.237 475 G HA3 -0.217 3.743 3.960 0.000 0.000 0.237 475 G C 0.477 175.515 174.900 0.229 0.000 1.002 475 G CA 0.233 45.419 45.100 0.144 0.000 0.702 475 G HN 0.480 nan 8.290 nan 0.000 0.515 476 L N -0.601 120.735 121.223 0.189 0.000 2.529 476 L HA 0.273 4.613 4.340 0.000 0.000 0.223 476 L C 0.363 177.308 176.870 0.125 0.000 1.113 476 L CA 0.214 55.208 54.840 0.258 0.000 0.861 476 L CB 0.027 42.204 42.059 0.197 0.000 1.012 476 L HN 0.115 nan 8.230 nan 0.000 0.461 477 D N 0.266 120.674 120.400 0.014 0.000 2.248 477 D HA 0.322 4.962 4.640 0.000 0.000 0.246 477 D C -0.016 176.181 176.300 -0.172 0.000 1.027 477 D CA -0.096 53.860 54.000 -0.072 0.000 0.853 477 D CB 2.983 43.775 40.800 -0.013 0.000 1.243 477 D HN -0.202 nan 8.370 nan 0.000 0.462 478 V N -0.768 119.019 119.914 -0.212 0.000 2.454 478 V HA 0.351 4.471 4.120 0.000 0.000 0.255 478 V C -2.471 173.570 176.094 -0.088 0.000 1.009 478 V CA -1.411 60.768 62.300 -0.201 0.000 1.149 478 V CB 0.313 31.937 31.823 -0.331 0.000 1.418 478 V HN 0.306 nan 8.190 nan 0.000 0.567 479 P HA 0.375 nan 4.420 nan 0.000 0.272 479 P C 0.890 178.163 177.300 -0.045 0.000 1.240 479 P CA 1.236 64.318 63.100 -0.031 0.000 0.791 479 P CB 1.172 32.859 31.700 -0.023 0.000 0.978 480 G N 0.514 109.291 108.800 -0.039 0.000 2.182 480 G HA2 -0.189 3.771 3.960 0.000 0.000 0.248 480 G HA3 -0.189 3.771 3.960 0.000 0.000 0.248 480 G C -0.144 174.689 174.900 -0.111 0.000 1.042 480 G CA -0.174 44.889 45.100 -0.061 0.000 0.775 480 G HN 0.494 nan 8.290 nan 0.000 0.501 481 I N 0.434 120.912 120.570 -0.153 0.000 2.378 481 I HA 0.343 4.513 4.170 0.000 0.000 0.291 481 I C -0.622 175.265 176.117 -0.383 0.000 0.992 481 I CA -0.838 60.256 61.300 -0.344 0.000 1.154 481 I CB 1.800 39.471 38.000 -0.548 0.000 1.315 481 I HN 0.023 nan 8.210 nan 0.000 0.448 482 D N 6.138 126.326 120.400 -0.354 0.000 2.473 482 D HA 0.232 4.872 4.640 0.000 0.000 0.226 482 D C 0.448 176.610 176.300 -0.231 0.000 1.089 482 D CA -0.348 53.536 54.000 -0.193 0.000 0.883 482 D CB 0.579 41.316 40.800 -0.105 0.000 1.029 482 D HN 0.294 nan 8.370 nan 0.000 0.517 483 F N 1.898 121.853 119.950 0.008 0.000 2.325 483 F HA 0.066 4.593 4.527 0.000 0.000 0.299 483 F C 2.388 178.197 175.800 0.016 0.000 1.090 483 F CA 0.429 58.439 58.000 0.016 0.000 1.392 483 F CB 0.018 39.035 39.000 0.028 0.000 1.053 483 F HN 0.244 nan 8.300 nan 0.000 0.521 484 R N 0.146 120.742 120.500 0.160 0.000 2.096 484 R HA -0.119 4.221 4.340 0.000 0.000 0.235 484 R C 2.431 178.759 176.300 0.046 0.000 1.127 484 R CA 1.209 57.367 56.100 0.096 0.000 0.968 484 R CB -0.734 29.610 30.300 0.074 0.000 0.861 484 R HN 0.296 nan 8.270 nan 0.000 0.440 485 A N 1.222 124.046 122.820 0.007 0.000 1.898 485 A HA -0.085 4.235 4.320 0.000 0.000 0.216 485 A C 2.187 179.742 177.584 -0.049 0.000 1.181 485 A CA 0.948 52.966 52.037 -0.031 0.000 0.620 485 A CB -0.430 18.535 19.000 -0.059 0.000 0.819 485 A HN 0.148 nan 8.150 nan 0.000 0.442 486 L N -0.682 120.513 121.223 -0.046 0.000 2.046 486 L HA -0.206 4.134 4.340 0.000 0.000 0.208 486 L C 3.104 179.991 176.870 0.029 0.000 1.077 486 L CA 1.103 55.921 54.840 -0.037 0.000 0.747 486 L CB -0.628 41.435 42.059 0.007 0.000 0.896 486 L HN 0.433 nan 8.230 nan 0.000 0.432 487 A N 0.280 123.148 122.820 0.079 0.000 1.902 487 A HA -0.274 4.046 4.320 0.000 0.000 0.217 487 A C 2.404 180.033 177.584 0.075 0.000 1.181 487 A CA 2.102 54.197 52.037 0.097 0.000 0.623 487 A CB -0.501 18.557 19.000 0.097 0.000 0.818 487 A HN 0.358 nan 8.150 nan 0.000 0.443 488 K N -0.574 119.847 120.400 0.035 0.000 2.063 488 K HA -0.134 4.186 4.320 0.000 0.000 0.208 488 K C 2.032 178.623 176.600 -0.016 0.000 1.048 488 K CA 1.570 57.867 56.287 0.016 0.000 0.928 488 K CB -0.678 31.822 32.500 -0.000 0.000 0.713 488 K HN 0.368 nan 8.250 nan 0.000 0.442 489 G N -0.139 108.602 108.800 -0.098 0.000 2.503 489 G HA2 -0.256 3.704 3.960 0.000 0.000 0.221 489 G HA3 -0.256 3.704 3.960 0.000 0.000 0.221 489 G C 0.734 175.482 174.900 -0.254 0.000 1.131 489 G CA 1.166 46.112 45.100 -0.257 0.000 0.756 489 G HN 0.401 nan 8.290 nan 0.000 0.572 490 Y N 0.066 120.425 120.300 0.099 0.000 2.555 490 Y HA 0.422 4.972 4.550 -0.000 0.000 0.259 490 Y C 1.789 177.781 175.900 0.153 0.000 1.179 490 Y CA -0.776 57.438 58.100 0.191 0.000 1.230 490 Y CB 0.323 38.896 38.460 0.187 0.000 1.146 490 Y HN 0.302 nan 8.280 nan 0.000 0.526 491 G N 0.286 109.202 108.800 0.193 0.000 2.137 491 G HA2 -0.227 3.733 3.960 0.000 0.000 0.237 491 G HA3 -0.227 3.733 3.960 0.000 0.000 0.237 491 G C -0.406 174.543 174.900 0.080 0.000 1.002 491 G CA 0.201 45.368 45.100 0.111 0.000 0.702 491 G HN 0.118 nan 8.290 nan 0.000 0.515 492 V N 0.870 120.844 119.914 0.100 0.000 2.435 492 V HA 0.446 4.566 4.120 0.000 0.000 0.290 492 V C 0.897 177.042 176.094 0.086 0.000 1.030 492 V CA -0.607 61.750 62.300 0.095 0.000 0.881 492 V CB 1.823 33.710 31.823 0.108 0.000 0.983 492 V HN 0.528 nan 8.190 nan 0.000 0.445 493 Q N 2.756 122.604 119.800 0.080 0.000 2.304 493 Q HA 0.325 4.665 4.340 0.000 0.000 0.301 493 Q C -0.166 175.883 176.000 0.082 0.000 1.063 493 Q CA 0.176 56.020 55.803 0.070 0.000 0.947 493 Q CB 0.696 29.471 28.738 0.061 0.000 1.201 493 Q HN 0.943 nan 8.270 nan 0.000 0.389 494 A N 6.014 128.876 122.820 0.069 0.000 2.332 494 A HA 0.579 4.899 4.320 0.000 0.000 0.300 494 A C -1.121 176.500 177.584 0.063 0.000 1.153 494 A CA -0.691 51.392 52.037 0.075 0.000 0.764 494 A CB 0.679 19.721 19.000 0.071 0.000 1.174 494 A HN 0.745 nan 8.150 nan 0.000 0.467 495 L N 1.819 123.082 121.223 0.066 0.000 2.313 495 L HA 0.683 5.023 4.340 0.000 0.000 0.268 495 L C 0.247 177.150 176.870 0.054 0.000 1.010 495 L CA -0.973 53.898 54.840 0.053 0.000 0.814 495 L CB 2.158 44.245 42.059 0.047 0.000 1.304 495 L HN 0.859 nan 8.230 nan 0.000 0.441 496 K N 0.605 121.031 120.400 0.042 0.000 2.328 496 K HA 0.900 5.220 4.320 0.000 0.000 0.246 496 K C -1.336 175.280 176.600 0.028 0.000 0.955 496 K CA -0.808 55.503 56.287 0.040 0.000 0.817 496 K CB 2.416 34.939 32.500 0.039 0.000 1.208 496 K HN 0.587 nan 8.250 nan 0.000 0.432 497 A N 2.408 125.240 122.820 0.021 0.000 2.651 497 A HA 0.299 4.619 4.320 0.000 0.000 0.290 497 A C -1.035 176.552 177.584 0.005 0.000 1.185 497 A CA -0.721 51.323 52.037 0.011 0.000 0.746 497 A CB 0.675 19.677 19.000 0.004 0.000 1.213 497 A HN 0.811 nan 8.150 nan 0.000 0.429 498 D N 0.873 121.277 120.400 0.007 0.000 2.379 498 D HA 0.099 4.739 4.640 0.000 0.000 0.208 498 D C 0.240 176.539 176.300 -0.003 0.000 1.065 498 D CA 0.905 54.907 54.000 0.003 0.000 0.848 498 D CB 0.478 41.283 40.800 0.009 0.000 0.949 498 D HN 0.781 nan 8.370 nan 0.000 0.509 499 N N -1.281 117.419 118.700 -0.001 0.000 3.106 499 N HA 0.073 4.813 4.740 0.000 0.000 0.253 499 N C 0.203 175.715 175.510 0.003 0.000 1.506 499 N CA -0.731 52.319 53.050 -0.000 0.000 0.876 499 N CB 0.981 39.471 38.487 0.004 0.000 1.452 499 N HN -0.217 nan 8.380 nan 0.000 0.542 500 L N -0.017 121.211 121.223 0.008 0.000 2.017 500 L HA 0.089 4.429 4.340 0.000 0.000 0.208 500 L C 1.679 178.556 176.870 0.011 0.000 1.073 500 L CA 1.992 56.839 54.840 0.011 0.000 0.745 500 L CB -0.900 41.171 42.059 0.020 0.000 0.894 500 L HN 0.631 nan 8.230 nan 0.000 0.432 501 E N -0.263 119.944 120.200 0.012 0.000 2.077 501 E HA -0.247 4.103 4.350 0.000 0.000 0.193 501 E C 2.181 178.788 176.600 0.011 0.000 0.989 501 E CA 1.382 57.789 56.400 0.012 0.000 0.800 501 E CB -0.284 29.423 29.700 0.012 0.000 0.746 501 E HN 0.684 nan 8.360 nan 0.000 0.452 502 Q N 0.067 119.873 119.800 0.010 0.000 2.124 502 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 502 Q C 2.290 178.296 176.000 0.011 0.000 0.977 502 Q CA 0.783 56.593 55.803 0.011 0.000 0.850 502 Q CB -0.161 28.584 28.738 0.011 0.000 0.901 502 Q HN 0.129 nan 8.270 nan 0.000 0.429 503 L N 1.284 122.511 121.223 0.007 0.000 2.017 503 L HA -0.196 4.144 4.340 0.000 0.000 0.208 503 L C 1.865 178.741 176.870 0.009 0.000 1.073 503 L CA 1.877 56.719 54.840 0.004 0.000 0.745 503 L CB -0.220 41.836 42.059 -0.005 0.000 0.894 503 L HN -0.023 nan 8.230 nan 0.000 0.432 504 K N -0.692 119.715 120.400 0.011 0.000 2.057 504 K HA -0.104 4.216 4.320 0.000 0.000 0.207 504 K C 1.997 178.605 176.600 0.014 0.000 1.049 504 K CA 1.288 57.584 56.287 0.014 0.000 0.931 504 K CB -0.738 31.771 32.500 0.015 0.000 0.714 504 K HN 0.561 nan 8.250 nan 0.000 0.440 505 G N 1.075 109.883 108.800 0.014 0.000 2.404 505 G HA2 -0.280 3.680 3.960 0.000 0.000 0.215 505 G HA3 -0.280 3.680 3.960 0.000 0.000 0.215 505 G C 1.612 176.521 174.900 0.016 0.000 1.174 505 G CA 1.167 46.275 45.100 0.014 0.000 0.780 505 G HN 0.418 nan 8.290 nan 0.000 0.537 506 S N 0.768 116.479 115.700 0.017 0.000 2.368 506 S HA -0.032 4.438 4.470 0.000 0.000 0.225 506 S C 2.371 176.984 174.600 0.021 0.000 1.030 506 S CA 1.216 59.429 58.200 0.021 0.000 0.999 506 S CB -0.489 62.725 63.200 0.023 0.000 0.844 506 S HN 0.265 nan 8.310 nan 0.000 0.459 507 L N 1.144 122.379 121.223 0.019 0.000 2.046 507 L HA -0.138 4.202 4.340 0.000 0.000 0.208 507 L C 3.169 180.049 176.870 0.016 0.000 1.077 507 L CA 1.558 56.410 54.840 0.019 0.000 0.747 507 L CB -0.634 41.439 42.059 0.023 0.000 0.896 507 L HN 0.417 nan 8.230 nan 0.000 0.432 508 Q N -0.241 119.568 119.800 0.015 0.000 2.061 508 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 508 Q C 2.129 178.136 176.000 0.010 0.000 0.984 508 Q CA 1.682 57.492 55.803 0.012 0.000 0.846 508 Q CB -0.105 28.640 28.738 0.012 0.000 0.902 508 Q HN 0.554 nan 8.270 nan 0.000 0.421 509 E N 0.481 120.689 120.200 0.013 0.000 2.051 509 E HA -0.194 4.156 4.350 0.000 0.000 0.192 509 E C 2.026 178.633 176.600 0.012 0.000 0.991 509 E CA 0.957 57.365 56.400 0.013 0.000 0.799 509 E CB -0.172 29.538 29.700 0.017 0.000 0.748 509 E HN 0.345 nan 8.360 nan 0.000 0.449 510 A N 1.323 124.152 122.820 0.014 0.000 1.908 510 A HA -0.185 4.135 4.320 0.000 0.000 0.218 510 A C 2.225 179.808 177.584 -0.002 0.000 1.181 510 A CA 1.196 53.240 52.037 0.011 0.000 0.627 510 A CB -0.742 18.266 19.000 0.015 0.000 0.818 510 A HN 0.140 nan 8.150 nan 0.000 0.445 511 L N 0.443 121.664 121.223 -0.003 0.000 2.131 511 L HA -0.178 4.162 4.340 0.000 0.000 0.210 511 L C 2.759 179.623 176.870 -0.009 0.000 1.092 511 L CA 1.595 56.428 54.840 -0.011 0.000 0.759 511 L CB -0.405 41.650 42.059 -0.008 0.000 0.903 511 L HN 0.600 nan 8.230 nan 0.000 0.435 512 S N -0.691 115.007 115.700 -0.002 0.000 2.562 512 S HA 0.220 4.690 4.470 0.000 0.000 0.221 512 S C 1.028 175.628 174.600 -0.000 0.000 0.975 512 S CA -0.011 58.188 58.200 -0.001 0.000 0.918 512 S CB -0.261 62.940 63.200 0.002 0.000 0.772 512 S HN 0.230 nan 8.310 nan 0.000 0.531 513 A N 1.698 124.519 122.820 0.001 0.000 2.386 513 A HA 0.434 4.754 4.320 0.000 0.000 0.248 513 A C 1.007 178.592 177.584 0.002 0.000 1.082 513 A CA -0.406 51.634 52.037 0.005 0.000 0.789 513 A CB 0.343 19.350 19.000 0.012 0.000 1.025 513 A HN 0.415 nan 8.150 nan 0.000 0.490 514 K N 0.917 121.320 120.400 0.004 0.000 2.379 514 K HA 0.138 4.458 4.320 0.000 0.000 0.194 514 K C 0.920 177.523 176.600 0.006 0.000 1.031 514 K CA 0.705 56.993 56.287 0.003 0.000 1.037 514 K CB 0.434 32.935 32.500 0.002 0.000 0.824 514 K HN 0.791 nan 8.250 nan 0.000 0.516 515 G N 1.675 110.483 108.800 0.012 0.000 3.042 515 G HA2 0.358 4.318 3.960 0.000 0.000 0.278 515 G HA3 0.358 4.318 3.960 0.000 0.000 0.278 515 G C -2.925 171.997 174.900 0.037 0.000 1.371 515 G CA -1.295 43.818 45.100 0.022 0.000 1.009 515 G HN -0.222 nan 8.290 nan 0.000 0.523 516 P HA 0.367 nan 4.420 nan 0.000 0.272 516 P C -0.831 176.553 177.300 0.140 0.000 1.223 516 P CA -0.132 63.041 63.100 0.122 0.000 0.784 516 P CB 1.623 33.459 31.700 0.227 0.000 0.923 517 V N 3.335 123.349 119.914 0.168 0.000 2.733 517 V HA 0.359 4.479 4.120 0.000 0.000 0.306 517 V C -0.056 176.190 176.094 0.254 0.000 1.084 517 V CA -0.744 61.651 62.300 0.157 0.000 0.905 517 V CB 2.084 33.957 31.823 0.083 0.000 1.010 517 V HN 0.466 nan 8.190 nan 0.000 0.424 518 L N 5.550 126.910 121.223 0.229 0.000 2.322 518 L HA 0.720 5.060 4.340 0.000 0.000 0.281 518 L C -1.061 175.893 176.870 0.140 0.000 1.014 518 L CA -0.338 54.641 54.840 0.231 0.000 0.815 518 L CB 1.344 43.510 42.059 0.178 0.000 1.247 518 L HN 0.611 nan 8.230 nan 0.000 0.421 519 I N 4.548 125.189 120.570 0.118 0.000 2.382 519 I HA 0.313 4.483 4.170 0.000 0.000 0.286 519 I C -0.365 175.781 176.117 0.049 0.000 1.002 519 I CA -0.411 60.932 61.300 0.073 0.000 1.135 519 I CB 1.786 39.817 38.000 0.052 0.000 1.288 519 I HN 0.604 nan 8.210 nan 0.000 0.448 520 E N 6.596 126.828 120.200 0.052 0.000 2.089 520 E HA 0.361 4.711 4.350 0.000 0.000 0.284 520 E C -1.295 175.314 176.600 0.016 0.000 1.023 520 E CA -0.529 55.892 56.400 0.033 0.000 0.819 520 E CB 1.175 30.941 29.700 0.111 0.000 1.076 520 E HN 0.368 nan 8.360 nan 0.000 0.396 521 V N 4.005 123.907 119.914 -0.019 0.000 2.370 521 V HA 0.113 4.233 4.120 0.000 0.000 0.279 521 V C 0.336 176.418 176.094 -0.019 0.000 1.029 521 V CA -0.651 61.636 62.300 -0.023 0.000 0.870 521 V CB 1.389 33.184 31.823 -0.047 0.000 0.984 521 V HN 0.619 nan 8.190 nan 0.000 0.451 522 S N 4.593 120.288 115.700 -0.008 0.000 2.414 522 S HA 0.327 4.797 4.470 0.000 0.000 0.290 522 S C 0.399 174.982 174.600 -0.029 0.000 1.160 522 S CA -0.442 57.754 58.200 -0.006 0.000 1.069 522 S CB -0.192 63.008 63.200 0.001 0.000 1.012 522 S HN 1.000 nan 8.310 nan 0.000 0.510 523 T N 2.021 116.559 114.554 -0.028 0.000 2.943 523 T HA 0.654 5.004 4.350 0.000 0.000 0.284 523 T C 0.705 175.378 174.700 -0.045 0.000 1.015 523 T CA -0.646 61.427 62.100 -0.045 0.000 1.042 523 T CB 1.069 69.918 68.868 -0.032 0.000 1.055 523 T HN 0.636 nan 8.240 nan 0.000 0.500 524 V N 0.000 119.863 119.914 -0.084 0.000 2.409 524 V HA 0.000 4.120 4.120 0.000 0.000 0.244 524 V CA 0.000 62.252 62.300 -0.080 0.000 1.235 524 V CB 0.000 31.706 31.823 -0.195 0.000 1.184 524 V HN 0.000 nan 8.190 nan 0.000 0.556