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 3ab2_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTGSQAG DATA SEQUENCE VLXXXXXXXX XXXXVTPGRV REALDEGKIC IVAGFQGVXX XXXXXXXLGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVS DATA SEQUENCE SVEDGTTDIT FTCPRSDGRR AMEILKKLQV XGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLGG 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 0.000 177.593 177.584 0.016 0.000 1.274 2 A CA 0.000 52.046 52.037 0.015 0.000 0.836 2 A CB 0.000 19.009 19.000 0.016 0.000 0.831 3 L N 1.390 122.622 121.223 0.014 0.000 2.298 3 L HA 0.709 5.074 4.340 0.042 0.000 0.284 3 L C -1.524 175.356 176.870 0.016 0.000 1.013 3 L CA -0.744 54.103 54.840 0.013 0.000 0.824 3 L CB 1.232 43.295 42.059 0.006 0.000 1.221 3 L HN 0.552 nan 8.230 nan 0.000 0.418 4 V N 5.651 125.578 119.914 0.022 0.000 2.483 4 V HA 0.360 4.506 4.120 0.042 0.000 0.297 4 V C -0.041 176.070 176.094 0.029 0.000 1.027 4 V CA -0.629 61.688 62.300 0.027 0.000 0.855 4 V CB 2.118 33.966 31.823 0.042 0.000 0.995 4 V HN 0.449 nan 8.190 nan 0.000 0.424 5 V N 5.247 125.172 119.914 0.017 0.000 2.509 5 V HA 0.447 4.593 4.120 0.042 0.000 0.284 5 V C -0.095 176.008 176.094 0.016 0.000 1.047 5 V CA -0.420 61.888 62.300 0.013 0.000 0.952 5 V CB 1.399 33.218 31.823 -0.007 0.000 0.988 5 V HN 0.918 nan 8.190 nan 0.000 0.469 6 Q N 3.567 123.380 119.800 0.023 0.000 2.292 6 Q HA 0.418 4.783 4.340 0.042 0.000 0.270 6 Q C -0.839 175.098 176.000 -0.105 0.000 1.024 6 Q CA -0.658 55.133 55.803 -0.020 0.000 0.768 6 Q CB 2.720 31.485 28.738 0.045 0.000 1.250 6 Q HN 0.545 nan 8.270 nan 0.000 0.447 7 K N 3.244 123.541 120.400 -0.172 0.000 2.307 7 K HA 0.316 4.662 4.320 0.042 0.000 0.263 7 K C -1.657 174.821 176.600 -0.204 0.000 0.973 7 K CA -0.464 55.753 56.287 -0.116 0.000 0.846 7 K CB 0.729 33.197 32.500 -0.053 0.000 1.100 7 K HN 0.550 nan 8.250 nan 0.000 0.438 8 Y N 1.262 121.611 120.300 0.082 0.000 2.331 8 Y HA 0.335 4.913 4.550 0.047 0.000 0.338 8 Y C 1.122 177.044 175.900 0.037 0.000 0.976 8 Y CA -0.332 57.804 58.100 0.061 0.000 1.137 8 Y CB 1.743 40.195 38.460 -0.014 0.000 1.172 8 Y HN 0.719 nan 8.280 nan 0.000 0.478 9 G N 0.949 109.846 108.800 0.162 0.000 2.621 9 G HA2 0.319 4.304 3.960 0.042 0.000 0.271 9 G HA3 0.319 4.304 3.960 0.042 0.000 0.271 9 G C 1.090 176.052 174.900 0.104 0.000 1.236 9 G CA -0.216 44.948 45.100 0.107 0.000 0.958 9 G HN 0.851 nan 8.290 nan 0.000 0.512 10 G N -0.514 108.334 108.800 0.081 0.000 2.422 10 G HA2 -0.176 3.809 3.960 0.042 0.000 0.218 10 G HA3 -0.176 3.809 3.960 0.042 0.000 0.218 10 G C 2.156 177.106 174.900 0.083 0.000 1.146 10 G CA 1.833 46.976 45.100 0.071 0.000 0.769 10 G HN 0.902 nan 8.290 nan 0.000 0.547 11 S N 0.916 116.675 115.700 0.099 0.000 2.370 11 S HA -0.128 4.367 4.470 0.042 0.000 0.226 11 S C 2.377 177.075 174.600 0.163 0.000 1.033 11 S CA 1.777 60.060 58.200 0.138 0.000 1.011 11 S CB -0.541 62.754 63.200 0.158 0.000 0.852 11 S HN 0.220 nan 8.310 nan 0.000 0.457 12 S N 1.619 117.380 115.700 0.102 0.000 2.447 12 S HA 0.223 4.718 4.470 0.042 0.000 0.233 12 S C 1.028 175.653 174.600 0.042 0.000 1.006 12 S CA 0.725 58.955 58.200 0.049 0.000 0.957 12 S CB -0.357 62.902 63.200 0.097 0.000 0.773 12 S HN 0.493 nan 8.310 nan 0.000 0.507 13 L N 0.945 122.199 121.223 0.051 0.000 3.154 13 L HA 0.336 4.701 4.340 0.042 0.000 0.266 13 L C 1.139 178.029 176.870 0.034 0.000 1.300 13 L CA -0.035 54.815 54.840 0.017 0.000 1.028 13 L CB 0.088 42.150 42.059 0.004 0.000 1.412 13 L HN 0.129 nan 8.230 nan 0.000 0.564 14 E N 0.785 121.021 120.200 0.060 0.000 2.153 14 E HA -0.101 4.274 4.350 0.042 0.000 0.194 14 E C 0.784 177.403 176.600 0.032 0.000 0.988 14 E CA 1.187 57.619 56.400 0.054 0.000 0.811 14 E CB 0.321 30.064 29.700 0.072 0.000 0.746 14 E HN 0.574 nan 8.360 nan 0.000 0.466 15 S N -2.307 113.408 115.700 0.025 0.000 2.671 15 S HA 0.592 5.087 4.470 0.042 0.000 0.277 15 S C 0.609 175.209 174.600 -0.001 0.000 1.165 15 S CA -0.435 57.771 58.200 0.011 0.000 0.822 15 S CB 1.369 64.576 63.200 0.012 0.000 1.150 15 S HN -0.010 nan 8.310 nan 0.000 0.479 16 A N 0.329 123.145 122.820 -0.006 0.000 1.972 16 A HA -0.024 4.321 4.320 0.042 0.000 0.219 16 A C 1.945 179.518 177.584 -0.018 0.000 1.169 16 A CA 1.700 53.728 52.037 -0.015 0.000 0.635 16 A CB -0.957 18.035 19.000 -0.013 0.000 0.810 16 A HN 0.872 nan 8.150 nan 0.000 0.446 17 E N -0.572 119.622 120.200 -0.009 0.000 2.051 17 E HA -0.104 4.271 4.350 0.042 0.000 0.189 17 E C 2.320 178.915 176.600 -0.008 0.000 0.979 17 E CA 0.474 56.869 56.400 -0.008 0.000 0.803 17 E CB -0.085 29.613 29.700 -0.002 0.000 0.761 17 E HN 0.533 nan 8.360 nan 0.000 0.451 18 R N 0.456 120.961 120.500 0.008 0.000 2.127 18 R HA -0.120 4.245 4.340 0.042 0.000 0.238 18 R C 2.358 178.629 176.300 -0.048 0.000 1.134 18 R CA 0.785 56.896 56.100 0.018 0.000 0.975 18 R CB -0.154 30.190 30.300 0.074 0.000 0.865 18 R HN 0.244 nan 8.270 nan 0.000 0.447 19 I N 0.737 121.274 120.570 -0.057 0.000 2.142 19 I HA -0.268 3.927 4.170 0.042 0.000 0.240 19 I C 2.367 178.416 176.117 -0.113 0.000 1.078 19 I CA 1.514 62.755 61.300 -0.098 0.000 1.343 19 I CB -0.789 37.170 38.000 -0.069 0.000 1.046 19 I HN 0.196 nan 8.210 nan 0.000 0.405 20 R N 0.478 120.934 120.500 -0.074 0.000 2.105 20 R HA -0.220 4.146 4.340 0.042 0.000 0.239 20 R C 2.069 178.323 176.300 -0.077 0.000 1.135 20 R CA 1.849 57.908 56.100 -0.068 0.000 0.967 20 R CB -0.493 29.781 30.300 -0.043 0.000 0.861 20 R HN 0.411 nan 8.270 nan 0.000 0.442 21 N N 0.274 118.933 118.700 -0.067 0.000 2.069 21 N HA -0.149 4.616 4.740 0.042 0.000 0.191 21 N C 1.615 177.051 175.510 -0.123 0.000 1.031 21 N CA 1.294 54.306 53.050 -0.063 0.000 0.852 21 N CB -0.004 38.471 38.487 -0.020 0.000 1.018 21 N HN -0.070 nan 8.380 nan 0.000 0.423 22 V N 0.603 120.395 119.914 -0.204 0.000 2.515 22 V HA -0.147 3.998 4.120 0.042 0.000 0.250 22 V C 2.309 178.192 176.094 -0.353 0.000 1.058 22 V CA 1.668 63.732 62.300 -0.392 0.000 1.064 22 V CB -1.083 30.354 31.823 -0.643 0.000 0.675 22 V HN 0.495 nan 8.190 nan 0.000 0.461 23 A N -0.547 122.132 122.820 -0.236 0.000 1.940 23 A HA -0.247 4.098 4.320 0.042 0.000 0.219 23 A C 2.340 179.857 177.584 -0.112 0.000 1.176 23 A CA 1.884 53.824 52.037 -0.161 0.000 0.631 23 A CB -0.394 18.539 19.000 -0.112 0.000 0.814 23 A HN 0.506 nan 8.150 nan 0.000 0.446 24 E N 0.142 120.284 120.200 -0.097 0.000 2.072 24 E HA -0.187 4.188 4.350 0.042 0.000 0.190 24 E C 2.249 178.815 176.600 -0.056 0.000 0.982 24 E CA 1.096 57.460 56.400 -0.061 0.000 0.803 24 E CB -0.279 29.394 29.700 -0.045 0.000 0.755 24 E HN 0.669 nan 8.360 nan 0.000 0.453 25 R N 0.532 120.982 120.500 -0.084 0.000 2.091 25 R HA -0.128 4.238 4.340 0.042 0.000 0.238 25 R C 2.534 178.810 176.300 -0.039 0.000 1.136 25 R CA 1.676 57.736 56.100 -0.067 0.000 0.959 25 R CB -0.414 29.813 30.300 -0.121 0.000 0.856 25 R HN 0.166 nan 8.270 nan 0.000 0.437 26 I N 0.435 120.967 120.570 -0.064 0.000 2.226 26 I HA -0.254 3.941 4.170 0.042 0.000 0.245 26 I C 2.213 178.331 176.117 0.002 0.000 1.100 26 I CA 1.031 62.327 61.300 -0.008 0.000 1.374 26 I CB -0.079 37.902 38.000 -0.031 0.000 1.057 26 I HN 0.075 nan 8.210 nan 0.000 0.413 27 V N 0.762 120.666 119.914 -0.016 0.000 2.379 27 V HA -0.206 3.940 4.120 0.042 0.000 0.245 27 V C 2.695 178.791 176.094 0.003 0.000 1.044 27 V CA 1.714 64.010 62.300 -0.006 0.000 1.036 27 V CB -0.904 30.910 31.823 -0.015 0.000 0.664 27 V HN 0.469 nan 8.190 nan 0.000 0.453 28 A N 0.028 122.849 122.820 0.001 0.000 1.940 28 A HA -0.255 4.090 4.320 0.042 0.000 0.219 28 A C 2.391 179.987 177.584 0.021 0.000 1.176 28 A CA 2.642 54.685 52.037 0.010 0.000 0.631 28 A CB -0.974 18.031 19.000 0.009 0.000 0.814 28 A HN 0.509 nan 8.150 nan 0.000 0.446 29 T N -0.594 113.977 114.554 0.029 0.000 2.777 29 T HA -0.119 4.256 4.350 0.042 0.000 0.266 29 T C 2.000 176.721 174.700 0.035 0.000 1.040 29 T CA 1.521 63.646 62.100 0.042 0.000 1.141 29 T CB -0.135 68.770 68.868 0.063 0.000 0.868 29 T HN 0.545 nan 8.240 nan 0.000 0.444 30 K N 1.129 121.547 120.400 0.029 0.000 2.057 30 K HA -0.072 4.273 4.320 0.042 0.000 0.206 30 K C 2.273 178.885 176.600 0.019 0.000 1.050 30 K CA 1.160 57.462 56.287 0.025 0.000 0.935 30 K CB -0.078 32.435 32.500 0.022 0.000 0.715 30 K HN 0.203 nan 8.250 nan 0.000 0.439 31 K N 0.042 120.452 120.400 0.016 0.000 2.113 31 K HA -0.132 4.213 4.320 0.042 0.000 0.208 31 K C 1.667 178.276 176.600 0.015 0.000 1.047 31 K CA 1.284 57.579 56.287 0.013 0.000 0.928 31 K CB -0.137 32.370 32.500 0.010 0.000 0.716 31 K HN 0.171 nan 8.250 nan 0.000 0.446 32 A N 0.627 123.458 122.820 0.018 0.000 2.258 32 A HA 0.144 4.489 4.320 0.042 0.000 0.206 32 A C 0.917 178.512 177.584 0.018 0.000 1.222 32 A CA 0.769 52.817 52.037 0.019 0.000 0.822 32 A CB -0.638 18.376 19.000 0.023 0.000 0.804 32 A HN 0.422 nan 8.150 nan 0.000 0.483 33 G N -0.510 108.300 108.800 0.017 0.000 2.291 33 G HA2 -0.214 3.771 3.960 0.042 0.000 0.271 33 G HA3 -0.214 3.771 3.960 0.042 0.000 0.271 33 G C -0.516 174.395 174.900 0.018 0.000 1.099 33 G CA 0.117 45.226 45.100 0.016 0.000 0.919 33 G HN 0.689 nan 8.290 nan 0.000 0.496 34 N N 0.290 119.002 118.700 0.021 0.000 2.249 34 N HA 0.496 5.261 4.740 0.042 0.000 0.296 34 N C -1.349 174.175 175.510 0.024 0.000 1.051 34 N CA -1.049 52.015 53.050 0.023 0.000 0.815 34 N CB 1.491 39.995 38.487 0.029 0.000 1.487 34 N HN 0.062 nan 8.380 nan 0.000 0.475 35 D N 1.060 121.473 120.400 0.022 0.000 2.351 35 D HA 0.220 4.885 4.640 0.042 0.000 0.251 35 D C -0.488 175.828 176.300 0.027 0.000 1.137 35 D CA 0.065 54.079 54.000 0.023 0.000 0.879 35 D CB 1.243 42.053 40.800 0.016 0.000 1.181 35 D HN 0.028 nan 8.370 nan 0.000 0.448 36 V N 2.525 122.460 119.914 0.035 0.000 2.495 36 V HA 0.396 4.541 4.120 0.042 0.000 0.298 36 V C 0.093 176.215 176.094 0.047 0.000 1.031 36 V CA -0.845 61.482 62.300 0.045 0.000 0.871 36 V CB 2.140 33.996 31.823 0.056 0.000 0.988 36 V HN 0.239 nan 8.190 nan 0.000 0.432 37 V N 5.055 124.995 119.914 0.043 0.000 2.495 37 V HA 0.553 4.698 4.120 0.042 0.000 0.298 37 V C -0.305 175.828 176.094 0.065 0.000 1.031 37 V CA -0.602 61.723 62.300 0.042 0.000 0.871 37 V CB 1.983 33.806 31.823 0.001 0.000 0.988 37 V HN 0.611 nan 8.190 nan 0.000 0.432 38 V N 5.270 125.238 119.914 0.090 0.000 2.513 38 V HA 0.579 4.724 4.120 0.042 0.000 0.299 38 V C -0.246 175.909 176.094 0.101 0.000 1.035 38 V CA -0.585 61.793 62.300 0.130 0.000 0.889 38 V CB 2.040 33.965 31.823 0.170 0.000 0.988 38 V HN 0.617 nan 8.190 nan 0.000 0.440 39 V N 2.912 122.884 119.914 0.096 0.000 2.555 39 V HA 0.464 4.609 4.120 0.042 0.000 0.302 39 V C -0.375 175.773 176.094 0.091 0.000 1.038 39 V CA -0.457 61.879 62.300 0.060 0.000 0.887 39 V CB 1.895 33.730 31.823 0.020 0.000 0.991 39 V HN 0.978 nan 8.190 nan 0.000 0.434 40 C N 3.193 122.524 119.300 0.051 0.000 2.322 40 C HA 0.595 5.080 4.460 0.042 0.000 0.324 40 C C 0.869 175.871 174.990 0.021 0.000 1.249 40 C CA -0.504 58.548 59.018 0.057 0.000 1.453 40 C CB 0.859 28.617 27.740 0.030 0.000 2.145 40 C HN 0.940 nan 8.230 nan 0.000 0.466 41 S N 1.661 117.390 115.700 0.048 0.000 2.624 41 S HA 0.596 5.091 4.470 0.042 0.000 0.263 41 S C 0.504 175.120 174.600 0.027 0.000 1.287 41 S CA -0.435 57.787 58.200 0.036 0.000 0.990 41 S CB 0.734 63.968 63.200 0.057 0.000 0.950 41 S HN 0.968 nan 8.310 nan 0.000 0.561 42 A N 1.762 124.597 122.820 0.024 0.000 2.386 42 A HA 0.398 4.744 4.320 0.042 0.000 0.248 42 A C 0.349 177.949 177.584 0.028 0.000 1.082 42 A CA -0.314 51.734 52.037 0.019 0.000 0.789 42 A CB -0.202 18.811 19.000 0.021 0.000 1.025 42 A HN 0.809 nan 8.150 nan 0.000 0.490 43 M N 2.088 121.701 119.600 0.021 0.000 2.260 43 M HA 0.232 4.738 4.480 0.042 0.000 0.348 43 M C 1.546 177.866 176.300 0.033 0.000 1.342 43 M CA 1.492 56.806 55.300 0.025 0.000 1.040 43 M CB -0.444 32.165 32.600 0.015 0.000 1.810 43 M HN 1.284 nan 8.290 nan 0.000 0.453 44 G N 3.334 112.160 108.800 0.043 0.000 2.672 44 G HA2 -0.302 3.683 3.960 0.042 0.000 0.324 44 G HA3 -0.302 3.683 3.960 0.042 0.000 0.324 44 G C 0.150 175.077 174.900 0.045 0.000 1.286 44 G CA 0.570 45.699 45.100 0.047 0.000 1.004 44 G HN 0.799 nan 8.290 nan 0.000 0.548 45 D N 0.871 121.294 120.400 0.038 0.000 2.395 45 D HA 0.251 4.916 4.640 0.042 0.000 0.226 45 D C 2.092 178.411 176.300 0.033 0.000 1.146 45 D CA 0.857 54.879 54.000 0.036 0.000 0.830 45 D CB -0.125 40.694 40.800 0.033 0.000 0.958 45 D HN 0.354 nan 8.370 nan 0.000 0.501 46 T N 0.164 114.737 114.554 0.031 0.000 2.720 46 T HA -0.147 4.229 4.350 0.042 0.000 0.268 46 T C 2.030 176.750 174.700 0.032 0.000 1.037 46 T CA 1.511 63.628 62.100 0.028 0.000 1.144 46 T CB -0.142 68.740 68.868 0.024 0.000 0.864 46 T HN 0.203 nan 8.240 nan 0.000 0.444 47 T N 1.791 116.368 114.554 0.038 0.000 2.746 47 T HA -0.110 4.266 4.350 0.042 0.000 0.267 47 T C 1.686 176.412 174.700 0.042 0.000 1.039 47 T CA 1.307 63.435 62.100 0.045 0.000 1.142 47 T CB -0.450 68.452 68.868 0.056 0.000 0.866 47 T HN 0.337 nan 8.240 nan 0.000 0.444 48 D N 1.176 121.599 120.400 0.038 0.000 2.097 48 D HA -0.061 4.604 4.640 0.042 0.000 0.195 48 D C 2.262 178.580 176.300 0.030 0.000 0.989 48 D CA 0.998 55.019 54.000 0.034 0.000 0.827 48 D CB -0.266 40.553 40.800 0.033 0.000 0.966 48 D HN 0.499 nan 8.370 nan 0.000 0.456 49 E N -0.307 119.910 120.200 0.028 0.000 2.153 49 E HA -0.145 4.230 4.350 0.042 0.000 0.194 49 E C 1.905 178.520 176.600 0.024 0.000 0.988 49 E CA 0.349 56.764 56.400 0.024 0.000 0.811 49 E CB 0.017 29.731 29.700 0.022 0.000 0.746 49 E HN 0.121 nan 8.360 nan 0.000 0.466 50 L N 0.429 121.669 121.223 0.028 0.000 2.109 50 L HA -0.097 4.269 4.340 0.042 0.000 0.207 50 L C 2.051 178.939 176.870 0.029 0.000 1.086 50 L CA 1.190 56.047 54.840 0.028 0.000 0.760 50 L CB -0.214 41.865 42.059 0.033 0.000 0.910 50 L HN 0.130 nan 8.230 nan 0.000 0.437 51 L N -1.187 120.055 121.223 0.032 0.000 2.046 51 L HA -0.215 4.150 4.340 0.042 0.000 0.208 51 L C 2.499 179.383 176.870 0.024 0.000 1.077 51 L CA 1.188 56.046 54.840 0.030 0.000 0.747 51 L CB -0.486 41.591 42.059 0.031 0.000 0.896 51 L HN 0.312 nan 8.230 nan 0.000 0.432 52 E N 0.198 120.412 120.200 0.023 0.000 2.033 52 E HA -0.271 4.104 4.350 0.042 0.000 0.199 52 E C 2.352 178.963 176.600 0.019 0.000 1.011 52 E CA 1.455 57.867 56.400 0.020 0.000 0.815 52 E CB -0.242 29.469 29.700 0.020 0.000 0.755 52 E HN 0.420 nan 8.360 nan 0.000 0.451 53 L N 0.446 121.680 121.223 0.019 0.000 2.013 53 L HA -0.287 4.078 4.340 0.042 0.000 0.212 53 L C 2.616 179.496 176.870 0.017 0.000 1.073 53 L CA 1.338 56.188 54.840 0.017 0.000 0.753 53 L CB -0.516 41.553 42.059 0.017 0.000 0.890 53 L HN 0.175 nan 8.230 nan 0.000 0.432 54 A N -0.220 122.612 122.820 0.019 0.000 1.873 54 A HA -0.277 4.068 4.320 0.042 0.000 0.218 54 A C 2.485 180.079 177.584 0.016 0.000 1.193 54 A CA 2.144 54.192 52.037 0.019 0.000 0.629 54 A CB -0.963 18.050 19.000 0.022 0.000 0.826 54 A HN 0.468 nan 8.150 nan 0.000 0.447 55 A N -0.429 122.401 122.820 0.017 0.000 1.940 55 A HA 0.121 4.466 4.320 0.042 0.000 0.219 55 A C 2.490 180.082 177.584 0.014 0.000 1.176 55 A CA 2.279 54.325 52.037 0.015 0.000 0.631 55 A CB -0.987 18.023 19.000 0.016 0.000 0.814 55 A HN 1.130 nan 8.150 nan 0.000 0.446 56 A N -0.146 122.682 122.820 0.014 0.000 1.873 56 A HA -0.004 4.341 4.320 0.042 0.000 0.215 56 A C 2.291 179.882 177.584 0.011 0.000 1.186 56 A CA 2.147 54.191 52.037 0.012 0.000 0.616 56 A CB -1.147 17.860 19.000 0.013 0.000 0.823 56 A HN 1.196 nan 8.150 nan 0.000 0.442 57 V N -3.129 116.792 119.914 0.012 0.000 3.041 57 V HA 0.151 4.296 4.120 0.042 0.000 0.260 57 V C 0.398 176.499 176.094 0.011 0.000 1.105 57 V CA 1.381 63.687 62.300 0.011 0.000 1.125 57 V CB -0.621 31.209 31.823 0.012 0.000 0.730 57 V HN 0.531 nan 8.190 nan 0.000 0.479 58 N N 0.644 119.351 118.700 0.011 0.000 2.777 58 N HA 0.373 5.139 4.740 0.042 0.000 0.260 58 N C -3.438 172.079 175.510 0.011 0.000 1.113 58 N CA -1.065 51.992 53.050 0.011 0.000 0.996 58 N CB 2.368 40.861 38.487 0.011 0.000 1.584 58 N HN 0.071 nan 8.380 nan 0.000 0.573 59 P HA 0.064 nan 4.420 nan 0.000 0.272 59 P C 0.145 177.451 177.300 0.010 0.000 1.223 59 P CA -0.104 63.002 63.100 0.010 0.000 0.784 59 P CB 0.760 32.466 31.700 0.010 0.000 0.923 60 V N 1.632 121.552 119.914 0.010 0.000 5.889 60 V HA -0.165 3.980 4.120 0.042 0.000 0.209 60 V C -2.389 173.710 176.094 0.008 0.000 0.681 60 V CA -0.262 62.043 62.300 0.008 0.000 0.547 60 V CB -1.891 29.936 31.823 0.007 0.000 0.309 60 V HN 0.557 nan 8.190 nan 0.000 0.471 61 P HA 0.346 nan 4.420 nan 0.000 0.268 61 P C -2.293 175.012 177.300 0.008 0.000 1.205 61 P CA -0.840 62.267 63.100 0.010 0.000 0.771 61 P CB 0.176 31.884 31.700 0.013 0.000 0.858 62 P HA 0.108 nan 4.420 nan 0.000 0.272 62 P C 0.540 177.844 177.300 0.007 0.000 1.230 62 P CA -0.219 62.885 63.100 0.007 0.000 0.788 62 P CB 0.507 32.212 31.700 0.008 0.000 0.949 63 A N 2.585 125.407 122.820 0.003 0.000 1.851 63 A HA -0.241 4.104 4.320 0.042 0.000 0.216 63 A C 2.280 179.869 177.584 0.008 0.000 1.195 63 A CA 2.089 54.126 52.037 -0.001 0.000 0.622 63 A CB -1.165 17.830 19.000 -0.008 0.000 0.831 63 A HN 0.617 nan 8.150 nan 0.000 0.444 64 R N -0.202 120.306 120.500 0.012 0.000 2.103 64 R HA -0.228 4.137 4.340 0.042 0.000 0.242 64 R C 1.795 178.112 176.300 0.029 0.000 1.142 64 R CA 2.219 58.332 56.100 0.021 0.000 0.960 64 R CB -0.311 30.000 30.300 0.018 0.000 0.858 64 R HN 0.520 nan 8.270 nan 0.000 0.439 65 E N -0.192 120.023 120.200 0.024 0.000 2.158 65 E HA -0.115 4.260 4.350 0.042 0.000 0.191 65 E C 1.675 178.296 176.600 0.035 0.000 0.982 65 E CA 1.148 57.564 56.400 0.028 0.000 0.823 65 E CB -0.148 29.565 29.700 0.021 0.000 0.766 65 E HN 0.269 nan 8.360 nan 0.000 0.468 66 M N 1.055 120.674 119.600 0.032 0.000 2.159 66 M HA -0.149 4.356 4.480 0.042 0.000 0.263 66 M C 1.447 177.786 176.300 0.065 0.000 1.063 66 M CA 1.646 56.969 55.300 0.038 0.000 1.110 66 M CB -0.248 32.365 32.600 0.022 0.000 1.374 66 M HN -0.013 nan 8.290 nan 0.000 0.411 67 D N -0.492 119.949 120.400 0.067 0.000 2.117 67 D HA -0.221 4.445 4.640 0.042 0.000 0.197 67 D C 2.101 178.484 176.300 0.138 0.000 0.987 67 D CA 1.721 55.796 54.000 0.124 0.000 0.829 67 D CB -0.270 40.586 40.800 0.093 0.000 0.961 67 D HN 0.511 nan 8.370 nan 0.000 0.460 68 M N -0.533 119.118 119.600 0.084 0.000 2.117 68 M HA -0.140 4.365 4.480 0.042 0.000 0.262 68 M C 1.943 178.277 176.300 0.056 0.000 1.065 68 M CA 1.055 56.393 55.300 0.063 0.000 1.114 68 M CB -0.082 32.543 32.600 0.042 0.000 1.361 68 M HN 0.198 nan 8.290 nan 0.000 0.408 69 L N 0.869 122.127 121.223 0.058 0.000 1.988 69 L HA -0.156 4.210 4.340 0.042 0.000 0.207 69 L C 2.044 178.949 176.870 0.059 0.000 1.071 69 L CA 1.894 56.763 54.840 0.049 0.000 0.744 69 L CB -0.836 41.250 42.059 0.045 0.000 0.893 69 L HN 0.338 nan 8.230 nan 0.000 0.433 70 L N -1.253 120.026 121.223 0.093 0.000 2.093 70 L HA -0.189 4.176 4.340 0.042 0.000 0.208 70 L C 2.347 179.261 176.870 0.074 0.000 1.085 70 L CA 1.566 56.475 54.840 0.115 0.000 0.755 70 L CB -1.116 41.066 42.059 0.205 0.000 0.904 70 L HN 0.313 nan 8.230 nan 0.000 0.435 71 T N 0.200 114.799 114.554 0.076 0.000 2.652 71 T HA -0.240 4.135 4.350 0.042 0.000 0.267 71 T C 2.075 176.752 174.700 -0.038 0.000 1.039 71 T CA 1.522 63.598 62.100 -0.040 0.000 1.153 71 T CB -0.363 68.507 68.868 0.004 0.000 0.863 71 T HN 0.459 nan 8.240 nan 0.000 0.428 72 A N 1.524 124.344 122.820 -0.001 0.000 1.903 72 A HA -0.078 4.268 4.320 0.042 0.000 0.219 72 A C 2.643 180.221 177.584 -0.010 0.000 1.191 72 A CA 2.307 54.341 52.037 -0.005 0.000 0.638 72 A CB -1.563 17.442 19.000 0.008 0.000 0.823 72 A HN 0.548 nan 8.150 nan 0.000 0.451 73 G N -0.876 107.924 108.800 0.000 0.000 2.440 73 G HA2 -0.224 3.761 3.960 0.042 0.000 0.218 73 G HA3 -0.224 3.761 3.960 0.042 0.000 0.218 73 G C 1.438 176.331 174.900 -0.013 0.000 1.154 73 G CA 1.009 46.109 45.100 0.001 0.000 0.767 73 G HN 0.686 nan 8.290 nan 0.000 0.552 74 E N -0.301 119.879 120.200 -0.034 0.000 2.208 74 E HA -0.039 4.336 4.350 0.042 0.000 0.193 74 E C 2.526 179.091 176.600 -0.058 0.000 0.988 74 E CA 0.304 56.670 56.400 -0.057 0.000 0.828 74 E CB 0.021 29.649 29.700 -0.120 0.000 0.763 74 E HN 0.257 nan 8.360 nan 0.000 0.478 75 R N 0.882 121.347 120.500 -0.058 0.000 2.235 75 R HA -0.007 4.358 4.340 0.042 0.000 0.213 75 R C 1.857 178.136 176.300 -0.035 0.000 1.059 75 R CA 0.477 56.547 56.100 -0.050 0.000 0.997 75 R CB -0.063 30.209 30.300 -0.047 0.000 0.884 75 R HN 0.140 nan 8.270 nan 0.000 0.462 76 I N -0.770 119.784 120.570 -0.026 0.000 2.133 76 I HA -0.258 3.937 4.170 0.042 0.000 0.238 76 I C 2.014 178.118 176.117 -0.022 0.000 1.074 76 I CA 1.321 62.609 61.300 -0.020 0.000 1.342 76 I CB -0.325 37.668 38.000 -0.012 0.000 1.053 76 I HN 0.128 nan 8.210 nan 0.000 0.404 77 S N 0.781 116.469 115.700 -0.020 0.000 2.374 77 S HA -0.248 4.248 4.470 0.042 0.000 0.227 77 S C 1.889 176.473 174.600 -0.026 0.000 1.037 77 S CA 1.772 59.960 58.200 -0.020 0.000 1.024 77 S CB -0.544 62.651 63.200 -0.009 0.000 0.861 77 S HN 0.444 nan 8.310 nan 0.000 0.456 78 N N 1.825 120.510 118.700 -0.026 0.000 2.036 78 N HA -0.137 4.628 4.740 0.042 0.000 0.195 78 N C 1.780 177.271 175.510 -0.032 0.000 1.037 78 N CA 1.884 54.918 53.050 -0.026 0.000 0.855 78 N CB -0.637 37.831 38.487 -0.032 0.000 1.033 78 N HN 0.359 nan 8.380 nan 0.000 0.423 79 A N 0.816 123.616 122.820 -0.034 0.000 1.883 79 A HA -0.114 4.231 4.320 0.042 0.000 0.217 79 A C 2.268 179.831 177.584 -0.035 0.000 1.186 79 A CA 1.169 53.184 52.037 -0.035 0.000 0.624 79 A CB -0.715 18.267 19.000 -0.032 0.000 0.822 79 A HN 0.306 nan 8.150 nan 0.000 0.444 80 L N -0.595 120.608 121.223 -0.034 0.000 2.056 80 L HA -0.096 4.270 4.340 0.042 0.000 0.207 80 L C 2.637 179.479 176.870 -0.047 0.000 1.078 80 L CA 1.329 56.148 54.840 -0.037 0.000 0.749 80 L CB -1.031 41.007 42.059 -0.033 0.000 0.901 80 L HN 0.207 nan 8.230 nan 0.000 0.433 81 V N -0.376 119.506 119.914 -0.053 0.000 2.307 81 V HA -0.256 3.889 4.120 0.042 0.000 0.245 81 V C 2.710 178.770 176.094 -0.056 0.000 1.045 81 V CA 1.472 63.729 62.300 -0.071 0.000 1.024 81 V CB -1.034 30.741 31.823 -0.079 0.000 0.651 81 V HN 0.477 nan 8.190 nan 0.000 0.449 82 A N -0.747 122.048 122.820 -0.041 0.000 1.883 82 A HA -0.318 4.028 4.320 0.042 0.000 0.217 82 A C 2.267 179.828 177.584 -0.037 0.000 1.186 82 A CA 2.542 54.558 52.037 -0.036 0.000 0.624 82 A CB -0.570 18.408 19.000 -0.037 0.000 0.822 82 A HN 0.491 nan 8.150 nan 0.000 0.444 83 M N -0.675 118.902 119.600 -0.038 0.000 2.082 83 M HA -0.223 4.282 4.480 0.042 0.000 0.258 83 M C 2.396 178.675 176.300 -0.036 0.000 1.069 83 M CA 1.833 57.112 55.300 -0.035 0.000 1.102 83 M CB -0.259 32.321 32.600 -0.033 0.000 1.336 83 M HN 0.494 nan 8.290 nan 0.000 0.404 84 A N -0.165 122.629 122.820 -0.043 0.000 1.873 84 A HA -0.147 4.198 4.320 0.042 0.000 0.215 84 A C 1.849 179.406 177.584 -0.045 0.000 1.186 84 A CA 1.459 53.467 52.037 -0.047 0.000 0.616 84 A CB -0.811 18.151 19.000 -0.063 0.000 0.823 84 A HN 0.451 nan 8.150 nan 0.000 0.442 85 I N -0.021 120.520 120.570 -0.047 0.000 2.194 85 I HA -0.253 3.942 4.170 0.042 0.000 0.246 85 I C 2.318 178.418 176.117 -0.027 0.000 1.093 85 I CA 1.974 63.252 61.300 -0.038 0.000 1.355 85 I CB -0.370 37.612 38.000 -0.031 0.000 1.046 85 I HN 0.472 nan 8.210 nan 0.000 0.413 86 E N -1.030 119.154 120.200 -0.027 0.000 2.216 86 E HA -0.139 4.236 4.350 0.042 0.000 0.192 86 E C 2.325 178.913 176.600 -0.021 0.000 0.988 86 E CA 0.750 57.137 56.400 -0.022 0.000 0.834 86 E CB -0.009 29.677 29.700 -0.024 0.000 0.772 86 E HN 0.317 nan 8.360 nan 0.000 0.479 87 S N -0.194 115.492 115.700 -0.024 0.000 2.399 87 S HA -0.047 4.448 4.470 0.042 0.000 0.231 87 S C 1.507 176.095 174.600 -0.019 0.000 1.022 87 S CA 0.763 58.950 58.200 -0.022 0.000 0.983 87 S CB 0.030 63.215 63.200 -0.025 0.000 0.803 87 S HN 0.264 nan 8.310 nan 0.000 0.480 88 L N -0.067 121.143 121.223 -0.021 0.000 2.607 88 L HA 0.355 4.720 4.340 0.042 0.000 0.228 88 L C 1.655 178.517 176.870 -0.014 0.000 1.123 88 L CA 0.446 55.275 54.840 -0.018 0.000 0.890 88 L CB 0.182 42.227 42.059 -0.023 0.000 1.103 88 L HN 0.535 nan 8.230 nan 0.000 0.468 89 G N -0.207 108.585 108.800 -0.012 0.000 2.253 89 G HA2 -0.209 3.776 3.960 0.042 0.000 0.209 89 G HA3 -0.209 3.776 3.960 0.042 0.000 0.209 89 G C 0.421 175.317 174.900 -0.007 0.000 0.997 89 G CA -0.162 44.933 45.100 -0.009 0.000 0.640 89 G HN 0.399 nan 8.290 nan 0.000 0.496 90 A N 0.215 123.030 122.820 -0.008 0.000 2.407 90 A HA 0.641 4.986 4.320 0.042 0.000 0.248 90 A C 0.257 177.838 177.584 -0.005 0.000 1.082 90 A CA 0.772 52.806 52.037 -0.004 0.000 0.785 90 A CB 0.515 19.513 19.000 -0.004 0.000 1.020 90 A HN 0.619 nan 8.150 nan 0.000 0.489 91 E N 0.655 120.855 120.200 -0.000 0.000 2.156 91 E HA 0.552 4.928 4.350 0.042 0.000 0.279 91 E C -0.373 176.227 176.600 0.001 0.000 0.965 91 E CA -0.450 55.949 56.400 -0.003 0.000 0.789 91 E CB 1.148 30.848 29.700 -0.000 0.000 1.098 91 E HN 0.813 nan 8.360 nan 0.000 0.397 92 A N 4.462 127.276 122.820 -0.010 0.000 2.317 92 A HA 0.431 4.776 4.320 0.042 0.000 0.327 92 A C -0.826 176.737 177.584 -0.034 0.000 1.178 92 A CA -0.598 51.433 52.037 -0.010 0.000 0.817 92 A CB 1.341 20.329 19.000 -0.020 0.000 1.189 92 A HN 0.678 nan 8.150 nan 0.000 0.489 93 Q N 1.376 121.159 119.800 -0.029 0.000 2.321 93 Q HA 0.567 4.932 4.340 0.042 0.000 0.270 93 Q C -1.099 174.760 176.000 -0.236 0.000 1.032 93 Q CA -0.298 55.416 55.803 -0.149 0.000 0.784 93 Q CB 1.639 30.310 28.738 -0.112 0.000 1.264 93 Q HN 0.698 nan 8.270 nan 0.000 0.448 94 S N 3.079 118.550 115.700 -0.382 0.000 2.525 94 S HA 0.680 5.175 4.470 0.042 0.000 0.290 94 S C -1.168 173.080 174.600 -0.587 0.000 1.152 94 S CA -0.339 57.686 58.200 -0.292 0.000 1.072 94 S CB 0.494 63.598 63.200 -0.160 0.000 1.027 94 S HN 0.459 nan 8.310 nan 0.000 0.500 95 F N 0.491 120.424 119.950 -0.028 0.000 2.588 95 F HA 0.421 4.974 4.527 0.042 0.000 0.310 95 F C 0.700 176.472 175.800 -0.047 0.000 1.082 95 F CA -0.987 56.996 58.000 -0.029 0.000 0.929 95 F CB 1.642 40.629 39.000 -0.023 0.000 1.254 95 F HN 0.486 nan 8.300 nan 0.000 0.455 96 T N -1.204 113.430 114.554 0.133 0.000 2.856 96 T HA 0.455 4.830 4.350 0.042 0.000 0.292 96 T C 0.607 175.339 174.700 0.054 0.000 0.980 96 T CA -0.650 61.473 62.100 0.039 0.000 1.091 96 T CB 1.331 70.210 68.868 0.018 0.000 0.936 96 T HN 0.946 nan 8.240 nan 0.000 0.503 97 G N 1.008 109.790 108.800 -0.030 0.000 2.687 97 G HA2 0.381 4.366 3.960 0.042 0.000 0.288 97 G HA3 0.381 4.366 3.960 0.042 0.000 0.288 97 G C 0.576 175.539 174.900 0.105 0.000 0.713 97 G CA 0.038 45.148 45.100 0.017 0.000 2.023 97 G HN 1.255 nan 8.290 nan 0.000 0.529 98 S N 1.143 116.890 115.700 0.079 0.000 5.944 98 S HA -0.145 4.350 4.470 0.042 0.000 0.077 98 S C 1.539 176.180 174.600 0.068 0.000 1.175 98 S CA 0.794 59.044 58.200 0.085 0.000 1.315 98 S CB -1.127 62.141 63.200 0.112 0.000 1.413 98 S HN 0.404 nan 8.310 nan 0.000 0.458 99 Q N 1.402 121.258 119.800 0.094 0.000 2.135 99 Q HA 0.192 4.558 4.340 0.042 0.000 0.204 99 Q C 0.760 176.816 176.000 0.093 0.000 0.981 99 Q CA 1.589 57.469 55.803 0.129 0.000 0.856 99 Q CB -0.163 28.705 28.738 0.216 0.000 0.902 99 Q HN 0.683 nan 8.270 nan 0.000 0.425 100 A N 0.372 123.203 122.820 0.018 0.000 2.269 100 A HA 0.540 4.885 4.320 0.042 0.000 0.302 100 A C 0.268 177.828 177.584 -0.041 0.000 1.266 100 A CA -0.076 51.901 52.037 -0.100 0.000 0.894 100 A CB 0.453 19.317 19.000 -0.228 0.000 1.147 100 A HN 0.318 nan 8.150 nan 0.000 0.537 101 G N 0.633 109.411 108.800 -0.037 0.000 2.178 101 G HA2 0.383 4.368 3.960 0.042 0.000 0.244 101 G HA3 0.383 4.368 3.960 0.042 0.000 0.244 101 G C 0.814 175.707 174.900 -0.011 0.000 1.213 101 G CA 0.254 45.346 45.100 -0.014 0.000 0.912 101 G HN 1.594 nan 8.290 nan 0.000 0.474 102 V N 2.834 122.757 119.914 0.015 0.000 2.725 102 V HA 0.486 4.631 4.120 0.042 0.000 0.247 102 V C 2.089 178.194 176.094 0.018 0.000 1.058 102 V CA 2.595 64.909 62.300 0.022 0.000 1.080 102 V CB -1.456 30.396 31.823 0.047 0.000 0.713 102 V HN 2.567 nan 8.190 nan 0.000 0.465 117 T N 2.800 117.325 114.554 -0.048 0.000 3.875 117 T HA 0.087 4.462 4.350 0.042 0.000 0.381 117 T C -1.172 173.494 174.700 -0.056 0.000 0.760 117 T CA 0.799 62.876 62.100 -0.039 0.000 2.040 117 T CB -1.476 67.379 68.868 -0.021 0.000 1.778 117 T HN 1.829 nan 8.240 nan 0.000 0.822 118 P HA 0.403 nan 4.420 nan 0.000 0.231 118 P C 1.413 178.654 177.300 -0.099 0.000 1.833 118 P CA 0.571 63.605 63.100 -0.111 0.000 1.023 118 P CB 0.277 31.904 31.700 -0.121 0.000 1.643 119 G N 2.018 110.781 108.800 -0.062 0.000 2.421 119 G HA2 -0.243 3.742 3.960 0.042 0.000 0.216 119 G HA3 -0.243 3.742 3.960 0.042 0.000 0.216 119 G C 1.645 176.526 174.900 -0.032 0.000 1.171 119 G CA 0.377 45.456 45.100 -0.037 0.000 0.775 119 G HN 0.221 nan 8.290 nan 0.000 0.543 120 R N -0.097 120.386 120.500 -0.027 0.000 2.096 120 R HA 0.020 4.385 4.340 0.042 0.000 0.235 120 R C 2.610 178.900 176.300 -0.017 0.000 1.127 120 R CA 0.955 57.078 56.100 0.038 0.000 0.968 120 R CB -0.737 29.647 30.300 0.140 0.000 0.861 120 R HN 0.309 nan 8.270 nan 0.000 0.440 121 V N 0.544 120.297 119.914 -0.268 0.000 2.453 121 V HA -0.145 4.000 4.120 0.042 0.000 0.247 121 V C 2.345 178.367 176.094 -0.120 0.000 1.048 121 V CA 1.369 63.437 62.300 -0.386 0.000 1.049 121 V CB -0.441 31.062 31.823 -0.534 0.000 0.672 121 V HN 0.189 nan 8.190 nan 0.000 0.457 122 R N 0.118 120.568 120.500 -0.082 0.000 2.148 122 R HA -0.076 4.289 4.340 0.042 0.000 0.227 122 R C 2.214 178.514 176.300 0.001 0.000 1.103 122 R CA 0.986 57.065 56.100 -0.036 0.000 0.983 122 R CB -0.301 29.979 30.300 -0.033 0.000 0.874 122 R HN 0.587 nan 8.270 nan 0.000 0.451 123 E N 0.163 120.374 120.200 0.018 0.000 2.031 123 E HA -0.140 4.235 4.350 0.042 0.000 0.193 123 E C 1.914 178.549 176.600 0.059 0.000 0.994 123 E CA 1.356 57.781 56.400 0.040 0.000 0.800 123 E CB -0.283 29.450 29.700 0.056 0.000 0.752 123 E HN 0.254 nan 8.360 nan 0.000 0.447 124 A N 1.526 124.407 122.820 0.102 0.000 1.908 124 A HA -0.164 4.181 4.320 0.042 0.000 0.218 124 A C 2.406 180.038 177.584 0.081 0.000 1.181 124 A CA 1.224 53.337 52.037 0.126 0.000 0.627 124 A CB -0.778 18.380 19.000 0.264 0.000 0.818 124 A HN 0.146 nan 8.150 nan 0.000 0.445 125 L N -0.634 120.623 121.223 0.057 0.000 2.046 125 L HA -0.185 4.180 4.340 0.042 0.000 0.208 125 L C 1.961 178.848 176.870 0.028 0.000 1.077 125 L CA 1.454 56.316 54.840 0.036 0.000 0.747 125 L CB -0.637 41.430 42.059 0.014 0.000 0.896 125 L HN 0.274 nan 8.230 nan 0.000 0.432 126 D N -0.038 120.376 120.400 0.024 0.000 2.218 126 D HA -0.154 4.511 4.640 0.042 0.000 0.204 126 D C 1.600 177.913 176.300 0.021 0.000 0.976 126 D CA 0.965 54.977 54.000 0.019 0.000 0.853 126 D CB -0.035 40.774 40.800 0.016 0.000 0.939 126 D HN 0.376 nan 8.370 nan 0.000 0.481 127 E N -0.434 119.782 120.200 0.028 0.000 2.403 127 E HA 0.209 4.585 4.350 0.042 0.000 0.187 127 E C 0.924 177.538 176.600 0.024 0.000 1.073 127 E CA 0.074 56.489 56.400 0.025 0.000 0.888 127 E CB 0.270 29.987 29.700 0.028 0.000 1.035 127 E HN 0.250 nan 8.360 nan 0.000 0.471 128 G N 2.260 111.076 108.800 0.025 0.000 2.148 128 G HA2 -0.311 3.674 3.960 0.042 0.000 0.254 128 G HA3 -0.311 3.674 3.960 0.042 0.000 0.254 128 G C 0.079 174.995 174.900 0.028 0.000 0.981 128 G CA 0.186 45.300 45.100 0.023 0.000 0.670 128 G HN 0.184 nan 8.290 nan 0.000 0.528 129 K N -0.252 120.171 120.400 0.038 0.000 2.205 129 K HA 0.564 4.909 4.320 0.042 0.000 0.279 129 K C 0.181 176.816 176.600 0.058 0.000 1.027 129 K CA -0.864 55.450 56.287 0.045 0.000 0.932 129 K CB 1.307 33.841 32.500 0.056 0.000 1.032 129 K HN 0.112 nan 8.250 nan 0.000 0.466 130 I N 2.849 123.449 120.570 0.051 0.000 2.436 130 I HA -0.021 4.174 4.170 0.042 0.000 0.289 130 I C -0.136 176.038 176.117 0.095 0.000 1.083 130 I CA 0.015 61.352 61.300 0.061 0.000 1.372 130 I CB 0.224 38.250 38.000 0.042 0.000 1.408 130 I HN 0.541 nan 8.210 nan 0.000 0.516 131 C N 7.604 126.983 119.300 0.131 0.000 2.435 131 C HA 0.528 5.013 4.460 0.042 0.000 0.375 131 C C 0.252 175.356 174.990 0.191 0.000 1.281 131 C CA -0.564 58.599 59.018 0.240 0.000 1.963 131 C CB -0.603 27.281 27.740 0.240 0.000 2.490 131 C HN 0.435 nan 8.230 nan 0.000 0.557 132 I N 3.733 124.434 120.570 0.218 0.000 2.404 132 I HA 0.516 4.712 4.170 0.042 0.000 0.293 132 I C -0.056 176.184 176.117 0.204 0.000 0.992 132 I CA 0.055 61.444 61.300 0.148 0.000 1.149 132 I CB 1.371 39.414 38.000 0.071 0.000 1.315 132 I HN 0.341 nan 8.210 nan 0.000 0.446 133 V N 4.805 124.794 119.914 0.124 0.000 2.604 133 V HA 0.960 5.106 4.120 0.042 0.000 0.305 133 V C -0.301 175.797 176.094 0.007 0.000 1.043 133 V CA -0.649 61.707 62.300 0.094 0.000 0.888 133 V CB 1.542 33.389 31.823 0.040 0.000 0.995 133 V HN 0.892 nan 8.190 nan 0.000 0.429 134 A N 2.962 125.754 122.820 -0.047 0.000 2.532 134 A HA 0.887 5.232 4.320 0.042 0.000 0.296 134 A C -0.037 177.386 177.584 -0.267 0.000 1.058 134 A CA 0.208 52.159 52.037 -0.142 0.000 0.729 134 A CB 1.283 20.231 19.000 -0.086 0.000 1.285 134 A HN 2.373 nan 8.150 nan 0.000 0.396 135 G N 0.137 108.602 108.800 -0.558 0.000 2.660 135 G HA2 0.364 4.349 3.960 0.042 0.000 0.215 135 G HA3 0.364 4.349 3.960 0.042 0.000 0.215 135 G C -0.606 173.605 174.900 -1.149 0.000 1.345 135 G CA 0.049 44.631 45.100 -0.863 0.000 0.877 135 G HN 1.997 nan 8.290 nan 0.000 0.549 136 F N -1.492 118.468 119.950 0.016 0.000 2.686 136 F HA 0.696 5.246 4.527 0.037 0.000 0.311 136 F C 0.811 176.620 175.800 0.015 0.000 1.128 136 F CA -0.126 57.882 58.000 0.014 0.000 0.946 136 F CB 1.776 40.779 39.000 0.006 0.000 1.336 136 F HN 0.803 nan 8.300 nan 0.000 0.457 137 Q N -0.156 119.768 119.800 0.207 0.000 2.288 137 Q HA 0.288 4.654 4.340 0.042 0.000 0.213 137 Q C 1.183 177.236 176.000 0.089 0.000 0.724 137 Q CA 0.405 56.281 55.803 0.123 0.000 0.902 137 Q CB 0.520 29.305 28.738 0.078 0.000 1.286 137 Q HN 0.818 nan 8.270 nan 0.000 0.458 138 G N 2.452 111.302 108.800 0.084 0.000 2.679 138 G HA2 0.250 4.236 3.960 0.042 0.000 0.214 138 G HA3 0.250 4.236 3.960 0.042 0.000 0.214 138 G C 0.812 175.736 174.900 0.041 0.000 1.315 138 G CA 1.685 46.818 45.100 0.055 0.000 0.836 138 G HN 0.404 nan 8.290 nan 0.000 0.580 150 G N -0.273 108.396 108.800 -0.219 0.000 3.376 150 G HA2 -0.182 3.803 3.960 0.042 0.000 0.286 150 G HA3 -0.182 3.803 3.960 0.042 0.000 0.286 150 G C 1.142 175.981 174.900 -0.101 0.000 0.909 150 G CA 4.042 49.068 45.100 -0.123 0.000 0.769 150 G HN 2.592 nan 8.290 nan 0.000 1.194 151 R N -2.224 118.226 120.500 -0.083 0.000 1.495 151 R HA 0.058 4.423 4.340 0.042 0.000 0.030 151 R C 1.502 177.754 176.300 -0.081 0.000 0.818 151 R CA 1.887 57.938 56.100 -0.082 0.000 3.515 151 R CB -1.137 29.084 30.300 -0.132 0.000 0.715 151 R HN 2.364 nan 8.270 nan 0.000 0.581 152 G N 0.622 109.379 108.800 -0.072 0.000 2.738 152 G HA2 0.207 4.193 3.960 0.042 0.000 0.195 152 G HA3 0.207 4.193 3.960 0.042 0.000 0.195 152 G C 1.085 175.987 174.900 0.002 0.000 1.001 152 G CA 0.775 45.849 45.100 -0.043 0.000 0.759 152 G HN 1.385 nan 8.290 nan 0.000 0.494 153 G N 0.196 109.014 108.800 0.029 0.000 2.514 153 G HA2 -0.005 3.981 3.960 0.042 0.000 0.265 153 G HA3 -0.005 3.981 3.960 0.042 0.000 0.265 153 G C 1.622 176.660 174.900 0.230 0.000 1.150 153 G CA 2.287 47.527 45.100 0.233 0.000 0.959 153 G HN 1.935 nan 8.290 nan 0.000 0.556 154 S N 0.337 116.135 115.700 0.164 0.000 2.382 154 S HA -0.067 4.428 4.470 0.042 0.000 0.228 154 S C 1.635 176.251 174.600 0.026 0.000 1.027 154 S CA 2.277 60.518 58.200 0.068 0.000 0.991 154 S CB -0.471 62.749 63.200 0.034 0.000 0.823 154 S HN 0.679 nan 8.310 nan 0.000 0.469 155 D N 1.936 122.346 120.400 0.017 0.000 2.104 155 D HA -0.086 4.579 4.640 0.042 0.000 0.194 155 D C 2.371 178.638 176.300 -0.055 0.000 0.994 155 D CA 1.982 55.974 54.000 -0.014 0.000 0.830 155 D CB -0.533 40.262 40.800 -0.008 0.000 0.959 155 D HN 0.714 nan 8.370 nan 0.000 0.452 156 T N -2.324 112.171 114.554 -0.098 0.000 2.985 156 T HA -0.053 4.323 4.350 0.042 0.000 0.266 156 T C 1.929 176.508 174.700 -0.203 0.000 1.076 156 T CA 1.155 63.111 62.100 -0.239 0.000 1.135 156 T CB -0.473 68.136 68.868 -0.432 0.000 0.890 156 T HN -0.044 nan 8.240 nan 0.000 0.480 157 T N 2.099 116.603 114.554 -0.082 0.000 2.746 157 T HA 0.093 4.468 4.350 0.042 0.000 0.267 157 T C 2.435 177.101 174.700 -0.056 0.000 1.039 157 T CA 1.343 63.418 62.100 -0.041 0.000 1.142 157 T CB -0.861 68.026 68.868 0.032 0.000 0.866 157 T HN 0.609 nan 8.240 nan 0.000 0.444 158 A N 0.808 123.601 122.820 -0.045 0.000 1.883 158 A HA -0.062 4.283 4.320 0.042 0.000 0.217 158 A C 2.589 180.145 177.584 -0.046 0.000 1.186 158 A CA 1.679 53.693 52.037 -0.040 0.000 0.624 158 A CB -1.182 17.799 19.000 -0.031 0.000 0.822 158 A HN 0.346 nan 8.150 nan 0.000 0.444 159 V N -0.372 119.511 119.914 -0.052 0.000 2.358 159 V HA -0.085 4.060 4.120 0.042 0.000 0.246 159 V C 2.769 178.834 176.094 -0.047 0.000 1.047 159 V CA 2.196 64.480 62.300 -0.027 0.000 1.035 159 V CB -0.690 31.136 31.823 0.004 0.000 0.658 159 V HN 0.600 nan 8.190 nan 0.000 0.452 160 A N -0.395 122.369 122.820 -0.093 0.000 1.902 160 A HA -0.129 4.216 4.320 0.042 0.000 0.217 160 A C 2.155 179.658 177.584 -0.134 0.000 1.181 160 A CA 2.029 53.994 52.037 -0.121 0.000 0.623 160 A CB -0.599 18.327 19.000 -0.123 0.000 0.818 160 A HN 0.567 nan 8.150 nan 0.000 0.443 161 L N -0.841 120.321 121.223 -0.101 0.000 2.083 161 L HA -0.181 4.184 4.340 0.042 0.000 0.209 161 L C 3.062 179.882 176.870 -0.084 0.000 1.083 161 L CA 0.990 55.772 54.840 -0.097 0.000 0.752 161 L CB -0.407 41.600 42.059 -0.086 0.000 0.899 161 L HN 0.441 nan 8.230 nan 0.000 0.433 162 A N -0.249 122.534 122.820 -0.062 0.000 1.933 162 A HA -0.144 4.201 4.320 0.042 0.000 0.218 162 A C 2.486 180.046 177.584 -0.040 0.000 1.175 162 A CA 1.640 53.655 52.037 -0.036 0.000 0.628 162 A CB -0.600 18.394 19.000 -0.010 0.000 0.814 162 A HN 0.407 nan 8.150 nan 0.000 0.444 163 A N -0.182 122.592 122.820 -0.077 0.000 1.873 163 A HA 0.239 4.584 4.320 0.042 0.000 0.215 163 A C 2.508 180.021 177.584 -0.119 0.000 1.186 163 A CA 1.917 53.891 52.037 -0.104 0.000 0.616 163 A CB -0.998 17.831 19.000 -0.285 0.000 0.823 163 A HN 0.968 nan 8.150 nan 0.000 0.442 164 A N -0.294 122.432 122.820 -0.156 0.000 1.873 164 A HA 0.031 4.376 4.320 0.042 0.000 0.215 164 A C 2.074 179.614 177.584 -0.074 0.000 1.186 164 A CA 1.423 53.386 52.037 -0.123 0.000 0.616 164 A CB -0.603 18.317 19.000 -0.133 0.000 0.823 164 A HN 0.445 nan 8.150 nan 0.000 0.442 165 L N -1.110 120.071 121.223 -0.070 0.000 2.376 165 L HA -0.031 4.334 4.340 0.042 0.000 0.219 165 L C 0.832 177.685 176.870 -0.029 0.000 1.133 165 L CA 0.561 55.370 54.840 -0.051 0.000 0.816 165 L CB -0.351 41.673 42.059 -0.057 0.000 0.933 165 L HN 0.559 nan 8.230 nan 0.000 0.449 166 N N 0.133 118.820 118.700 -0.022 0.000 2.816 166 N HA -0.140 4.626 4.740 0.042 0.000 0.247 166 N C 0.038 175.551 175.510 0.006 0.000 1.100 166 N CA 0.648 53.698 53.050 -0.000 0.000 0.687 166 N CB -0.740 37.750 38.487 0.004 0.000 1.003 166 N HN 0.327 nan 8.380 nan 0.000 0.554 167 A N 0.078 122.899 122.820 0.002 0.000 2.483 167 A HA 0.180 4.525 4.320 0.042 0.000 0.238 167 A C 1.179 178.775 177.584 0.021 0.000 1.070 167 A CA 0.715 52.756 52.037 0.008 0.000 0.770 167 A CB 0.225 19.227 19.000 0.003 0.000 1.008 167 A HN 0.379 nan 8.150 nan 0.000 0.497 168 D N -0.514 119.898 120.400 0.019 0.000 2.224 168 D HA 0.189 4.854 4.640 0.042 0.000 0.205 168 D C 0.206 176.520 176.300 0.025 0.000 0.965 168 D CA 1.552 55.565 54.000 0.023 0.000 0.852 168 D CB 0.206 41.016 40.800 0.017 0.000 0.947 168 D HN 0.268 nan 8.370 nan 0.000 0.494 169 V N -0.812 119.114 119.914 0.020 0.000 3.077 169 V HA 0.317 4.462 4.120 0.042 0.000 0.299 169 V C -1.857 174.242 176.094 0.007 0.000 1.276 169 V CA -1.152 61.157 62.300 0.015 0.000 0.993 169 V CB 2.156 33.978 31.823 -0.002 0.000 1.076 169 V HN 0.127 nan 8.190 nan 0.000 0.434 170 C N 5.607 124.908 119.300 0.003 0.000 2.291 170 C HA 0.647 5.132 4.460 0.042 0.000 0.322 170 C C 0.018 174.973 174.990 -0.059 0.000 1.205 170 C CA -0.433 58.575 59.018 -0.015 0.000 1.495 170 C CB -0.354 27.386 27.740 -0.001 0.000 2.127 170 C HN 0.949 nan 8.230 nan 0.000 0.452 171 E N 3.867 124.010 120.200 -0.094 0.000 2.301 171 E HA 0.410 4.785 4.350 0.042 0.000 0.275 171 E C -0.887 175.547 176.600 -0.277 0.000 1.030 171 E CA -0.264 55.996 56.400 -0.233 0.000 0.852 171 E CB 1.289 30.817 29.700 -0.288 0.000 1.060 171 E HN 0.586 nan 8.360 nan 0.000 0.401 172 I N 3.297 123.655 120.570 -0.353 0.000 2.390 172 I HA 0.163 4.358 4.170 0.042 0.000 0.283 172 I C -1.041 174.870 176.117 -0.343 0.000 1.016 172 I CA -0.318 60.829 61.300 -0.254 0.000 1.151 172 I CB 0.269 38.189 38.000 -0.133 0.000 1.293 172 I HN 0.388 nan 8.210 nan 0.000 0.458 173 Y N 4.701 124.855 120.300 -0.243 0.000 2.310 173 Y HA 0.684 5.262 4.550 0.047 0.000 0.326 173 Y C 0.976 176.823 175.900 -0.089 0.000 1.151 173 Y CA 0.066 58.057 58.100 -0.182 0.000 1.195 173 Y CB 1.614 39.922 38.460 -0.253 0.000 1.210 173 Y HN 0.683 nan 8.280 nan 0.000 0.483 174 S N -0.335 115.405 115.700 0.066 0.000 3.003 174 S HA 0.165 4.661 4.470 0.042 0.000 0.313 174 S C -0.151 174.438 174.600 -0.018 0.000 1.230 174 S CA -0.313 57.908 58.200 0.036 0.000 0.977 174 S CB 0.672 63.899 63.200 0.046 0.000 1.340 174 S HN 0.568 nan 8.310 nan 0.000 0.608 175 D N 0.461 120.912 120.400 0.084 0.000 2.340 175 D HA 0.104 4.769 4.640 0.042 0.000 0.220 175 D C 0.385 176.783 176.300 0.163 0.000 1.039 175 D CA 0.167 54.294 54.000 0.211 0.000 0.866 175 D CB -0.462 40.541 40.800 0.338 0.000 0.913 175 D HN 0.316 nan 8.370 nan 0.000 0.523 176 V N 2.698 122.674 119.914 0.104 0.000 2.408 176 V HA 0.087 4.232 4.120 0.042 0.000 0.267 176 V C 0.782 176.934 176.094 0.096 0.000 1.047 176 V CA -0.302 62.062 62.300 0.107 0.000 0.937 176 V CB 1.171 33.045 31.823 0.085 0.000 0.999 176 V HN 0.114 nan 8.190 nan 0.000 0.472 177 D N 2.567 123.054 120.400 0.145 0.000 2.328 177 D HA 0.378 5.043 4.640 0.042 0.000 0.221 177 D C 0.606 176.934 176.300 0.046 0.000 1.072 177 D CA 0.634 54.698 54.000 0.106 0.000 0.850 177 D CB 0.681 41.568 40.800 0.145 0.000 0.922 177 D HN 0.762 nan 8.370 nan 0.000 0.516 178 G N -1.452 107.382 108.800 0.057 0.000 2.337 178 G HA2 0.296 4.281 3.960 0.042 0.000 0.298 178 G HA3 0.296 4.281 3.960 0.042 0.000 0.298 178 G C -1.791 173.095 174.900 -0.023 0.000 1.335 178 G CA -0.600 44.454 45.100 -0.075 0.000 0.875 178 G HN 0.092 nan 8.290 nan 0.000 0.579 179 V N 0.815 120.666 119.914 -0.104 0.000 2.439 179 V HA 0.578 4.723 4.120 0.042 0.000 0.282 179 V C -0.481 175.551 176.094 -0.103 0.000 1.039 179 V CA -0.320 61.976 62.300 -0.008 0.000 0.913 179 V CB 0.660 32.472 31.823 -0.017 0.000 0.983 179 V HN 0.586 nan 8.190 nan 0.000 0.460 180 Y N 1.533 121.844 120.300 0.018 0.000 2.496 180 Y HA 0.294 4.863 4.550 0.031 0.000 0.331 180 Y C 1.821 177.753 175.900 0.054 0.000 1.140 180 Y CA -0.344 57.775 58.100 0.033 0.000 1.166 180 Y CB 1.767 40.244 38.460 0.028 0.000 1.249 180 Y HN 0.731 nan 8.280 nan 0.000 0.479 181 T N -1.377 113.327 114.554 0.249 0.000 3.051 181 T HA 0.402 4.777 4.350 0.042 0.000 0.269 181 T C 0.383 175.258 174.700 0.292 0.000 1.127 181 T CA 0.777 63.021 62.100 0.241 0.000 1.107 181 T CB -0.234 68.815 68.868 0.303 0.000 0.898 181 T HN 0.725 nan 8.240 nan 0.000 0.517 182 A N 0.227 123.185 122.820 0.229 0.000 2.544 182 A HA 0.480 4.825 4.320 0.042 0.000 0.291 182 A C -1.623 175.979 177.584 0.030 0.000 1.055 182 A CA -0.753 51.353 52.037 0.115 0.000 0.651 182 A CB 0.307 19.320 19.000 0.022 0.000 1.296 182 A HN 0.134 nan 8.150 nan 0.000 0.431 183 D N 0.901 121.291 120.400 -0.017 0.000 2.363 183 D HA 0.259 4.924 4.640 0.042 0.000 0.263 183 D C -1.533 174.692 176.300 -0.126 0.000 1.258 183 D CA -1.128 52.827 54.000 -0.074 0.000 0.907 183 D CB 1.075 41.846 40.800 -0.048 0.000 1.107 183 D HN 0.090 nan 8.370 nan 0.000 0.495 184 P HA -0.048 nan 4.420 nan 0.000 0.222 184 P C 1.125 178.343 177.300 -0.135 0.000 1.147 184 P CA 0.746 63.732 63.100 -0.191 0.000 0.790 184 P CB 0.265 31.788 31.700 -0.295 0.000 0.780 185 R N -0.887 119.542 120.500 -0.119 0.000 2.115 185 R HA -0.034 4.331 4.340 0.042 0.000 0.230 185 R C 1.822 178.081 176.300 -0.070 0.000 1.111 185 R CA 0.995 57.045 56.100 -0.082 0.000 0.976 185 R CB -0.558 29.702 30.300 -0.068 0.000 0.870 185 R HN 0.224 nan 8.270 nan 0.000 0.445 186 I N 0.180 120.705 120.570 -0.074 0.000 2.364 186 I HA -0.013 4.182 4.170 0.042 0.000 0.241 186 I C 0.939 177.005 176.117 -0.083 0.000 1.082 186 I CA 0.788 62.049 61.300 -0.064 0.000 1.401 186 I CB -0.420 37.549 38.000 -0.051 0.000 1.126 186 I HN -0.194 nan 8.210 nan 0.000 0.429 187 V N 4.578 124.417 119.914 -0.125 0.000 2.318 187 V HA 0.178 4.323 4.120 0.042 0.000 0.271 187 V C -1.198 174.793 176.094 -0.172 0.000 1.030 187 V CA -0.965 61.224 62.300 -0.185 0.000 0.844 187 V CB 1.181 32.788 31.823 -0.359 0.000 1.015 187 V HN 0.139 nan 8.190 nan 0.000 0.460 188 P HA -0.093 nan 4.420 nan 0.000 0.219 188 P C 0.955 178.217 177.300 -0.063 0.000 1.150 188 P CA 1.028 64.083 63.100 -0.076 0.000 0.814 188 P CB 0.408 32.080 31.700 -0.048 0.000 0.787 189 N N -0.198 118.459 118.700 -0.073 0.000 2.434 189 N HA 0.139 4.904 4.740 0.042 0.000 0.196 189 N C 0.197 175.711 175.510 0.005 0.000 1.183 189 N CA -0.190 52.854 53.050 -0.011 0.000 0.849 189 N CB -0.593 37.917 38.487 0.040 0.000 0.992 189 N HN 0.031 nan 8.380 nan 0.000 0.460 190 A N 0.020 122.769 122.820 -0.117 0.000 2.466 190 A HA 0.279 4.624 4.320 0.042 0.000 0.238 190 A C 0.295 177.980 177.584 0.169 0.000 1.074 190 A CA 0.175 52.190 52.037 -0.037 0.000 0.774 190 A CB 0.291 19.231 19.000 -0.100 0.000 1.015 190 A HN 0.460 nan 8.150 nan 0.000 0.498 191 Q N -0.404 119.553 119.800 0.261 0.000 2.458 191 Q HA 0.531 4.897 4.340 0.042 0.000 0.282 191 Q C -0.721 175.361 176.000 0.137 0.000 1.106 191 Q CA -0.707 55.217 55.803 0.202 0.000 0.814 191 Q CB 1.692 30.506 28.738 0.127 0.000 1.425 191 Q HN 0.702 nan 8.270 nan 0.000 0.437 192 K N 2.038 122.373 120.400 -0.108 0.000 2.227 192 K HA 0.292 4.637 4.320 0.042 0.000 0.280 192 K C -0.888 175.568 176.600 -0.239 0.000 1.041 192 K CA -0.548 55.444 56.287 -0.493 0.000 0.905 192 K CB 0.456 32.567 32.500 -0.649 0.000 1.068 192 K HN 0.431 nan 8.250 nan 0.000 0.470 193 L N 4.354 125.451 121.223 -0.210 0.000 2.426 193 L HA 0.065 4.430 4.340 0.042 0.000 0.271 193 L C 1.289 178.078 176.870 -0.135 0.000 1.169 193 L CA 0.705 55.470 54.840 -0.125 0.000 0.836 193 L CB 0.660 42.664 42.059 -0.092 0.000 1.112 193 L HN 0.897 nan 8.230 nan 0.000 0.465 194 E N 2.102 122.242 120.200 -0.099 0.000 2.042 194 E HA -0.027 4.348 4.350 0.042 0.000 0.189 194 E C 0.195 176.739 176.600 -0.094 0.000 0.974 194 E CA 0.823 57.168 56.400 -0.091 0.000 0.806 194 E CB 0.309 29.968 29.700 -0.069 0.000 0.769 194 E HN 0.476 nan 8.360 nan 0.000 0.451 195 K N 0.792 121.138 120.400 -0.089 0.000 2.482 195 K HA 0.554 4.899 4.320 0.042 0.000 0.257 195 K C -0.934 175.605 176.600 -0.102 0.000 0.969 195 K CA -0.802 55.424 56.287 -0.102 0.000 0.842 195 K CB 2.141 34.583 32.500 -0.098 0.000 1.359 195 K HN 0.174 nan 8.250 nan 0.000 0.441 196 L N -2.086 119.061 121.223 -0.127 0.000 2.671 196 L HA 0.555 4.920 4.340 0.042 0.000 0.259 196 L C -0.263 176.498 176.870 -0.182 0.000 1.021 196 L CA -1.024 53.745 54.840 -0.119 0.000 0.871 196 L CB 1.719 43.726 42.059 -0.085 0.000 1.472 196 L HN 0.842 nan 8.230 nan 0.000 0.410 197 S N -0.426 115.183 115.700 -0.152 0.000 2.624 197 S HA 0.439 4.934 4.470 0.042 0.000 0.263 197 S C 0.789 175.282 174.600 -0.179 0.000 1.287 197 S CA -0.394 57.684 58.200 -0.203 0.000 0.990 197 S CB 0.380 63.534 63.200 -0.078 0.000 0.950 197 S HN 0.585 nan 8.310 nan 0.000 0.561 198 F N 0.819 120.765 119.950 -0.007 0.000 2.102 198 F HA -0.057 4.484 4.527 0.023 0.000 0.298 198 F C 2.592 178.390 175.800 -0.003 0.000 1.105 198 F CA 1.685 59.684 58.000 -0.002 0.000 1.239 198 F CB -0.537 38.464 39.000 0.002 0.000 0.991 198 F HN 0.550 nan 8.300 nan 0.000 0.474 199 E N 0.308 120.615 120.200 0.179 0.000 2.077 199 E HA -0.182 4.193 4.350 0.042 0.000 0.193 199 E C 1.926 178.556 176.600 0.050 0.000 0.989 199 E CA 1.339 57.795 56.400 0.093 0.000 0.800 199 E CB -0.320 29.417 29.700 0.062 0.000 0.746 199 E HN 0.434 nan 8.360 nan 0.000 0.452 200 E N -0.290 119.925 120.200 0.026 0.000 2.106 200 E HA -0.191 4.184 4.350 0.042 0.000 0.192 200 E C 1.885 178.492 176.600 0.012 0.000 0.984 200 E CA 1.082 57.484 56.400 0.003 0.000 0.806 200 E CB -0.063 29.625 29.700 -0.022 0.000 0.750 200 E HN 0.162 nan 8.360 nan 0.000 0.458 201 M N 0.406 120.020 119.600 0.023 0.000 2.123 201 M HA -0.100 4.405 4.480 0.042 0.000 0.263 201 M C 1.797 178.128 176.300 0.051 0.000 1.069 201 M CA 1.194 56.515 55.300 0.034 0.000 1.133 201 M CB -0.169 32.455 32.600 0.040 0.000 1.356 201 M HN 0.033 nan 8.290 nan 0.000 0.415 202 L N 0.788 122.054 121.223 0.071 0.000 2.021 202 L HA -0.258 4.107 4.340 0.042 0.000 0.215 202 L C 2.462 179.356 176.870 0.040 0.000 1.074 202 L CA 1.942 56.819 54.840 0.062 0.000 0.760 202 L CB -1.358 40.740 42.059 0.066 0.000 0.889 202 L HN 0.384 nan 8.230 nan 0.000 0.433 203 E N -0.815 119.403 120.200 0.031 0.000 2.047 203 E HA -0.171 4.205 4.350 0.042 0.000 0.191 203 E C 2.437 179.050 176.600 0.022 0.000 0.987 203 E CA 0.894 57.305 56.400 0.018 0.000 0.799 203 E CB -0.358 29.346 29.700 0.006 0.000 0.752 203 E HN 0.436 nan 8.360 nan 0.000 0.449 204 L N 0.616 121.854 121.223 0.025 0.000 2.017 204 L HA -0.183 4.182 4.340 0.042 0.000 0.208 204 L C 2.493 179.386 176.870 0.038 0.000 1.073 204 L CA 1.259 56.119 54.840 0.032 0.000 0.745 204 L CB -0.400 41.679 42.059 0.034 0.000 0.894 204 L HN 0.080 nan 8.230 nan 0.000 0.432 205 A N -0.556 122.287 122.820 0.039 0.000 2.015 205 A HA -0.119 4.226 4.320 0.042 0.000 0.219 205 A C 2.429 180.035 177.584 0.037 0.000 1.163 205 A CA 1.493 53.554 52.037 0.041 0.000 0.646 205 A CB -0.539 18.488 19.000 0.044 0.000 0.806 205 A HN 0.448 nan 8.150 nan 0.000 0.448 206 A N -0.239 122.601 122.820 0.033 0.000 1.898 206 A HA 0.066 4.411 4.320 0.042 0.000 0.216 206 A C 2.216 179.817 177.584 0.028 0.000 1.181 206 A CA 2.094 54.148 52.037 0.028 0.000 0.620 206 A CB -0.801 18.212 19.000 0.021 0.000 0.819 206 A HN 1.099 nan 8.150 nan 0.000 0.442 207 V N -4.174 115.758 119.914 0.029 0.000 3.085 207 V HA 0.501 4.646 4.120 0.042 0.000 0.245 207 V C 1.635 177.750 176.094 0.035 0.000 1.114 207 V CA 1.365 63.683 62.300 0.030 0.000 1.108 207 V CB -0.238 31.602 31.823 0.028 0.000 0.798 207 V HN 0.439 nan 8.190 nan 0.000 0.471 208 G N -0.596 108.227 108.800 0.038 0.000 2.467 208 G HA2 0.135 4.120 3.960 0.042 0.000 0.178 208 G HA3 0.135 4.120 3.960 0.042 0.000 0.178 208 G C 1.114 176.037 174.900 0.038 0.000 1.461 208 G CA 0.847 45.970 45.100 0.039 0.000 0.675 208 G HN 0.265 nan 8.290 nan 0.000 0.659 209 S N 0.620 116.346 115.700 0.043 0.000 2.264 209 S HA -0.289 4.206 4.470 0.042 0.000 0.361 209 S C 1.175 175.799 174.600 0.040 0.000 1.089 209 S CA 2.440 60.667 58.200 0.045 0.000 1.906 209 S CB -0.382 62.848 63.200 0.051 0.000 1.538 209 S HN 0.555 nan 8.310 nan 0.000 0.491 210 K N -0.850 119.574 120.400 0.040 0.000 3.299 210 K HA -0.133 4.213 4.320 0.042 0.000 0.284 210 K C 0.549 177.173 176.600 0.040 0.000 1.235 210 K CA 0.675 56.984 56.287 0.038 0.000 0.833 210 K CB -1.961 30.560 32.500 0.035 0.000 1.330 210 K HN 0.460 nan 8.250 nan 0.000 0.510 211 I N 0.078 120.674 120.570 0.043 0.000 2.584 211 I HA -0.121 4.074 4.170 0.042 0.000 0.255 211 I C 0.782 176.921 176.117 0.037 0.000 1.145 211 I CA 0.758 62.086 61.300 0.046 0.000 1.462 211 I CB 0.196 38.228 38.000 0.053 0.000 1.102 211 I HN 0.210 nan 8.210 nan 0.000 0.433 212 L N -3.716 117.528 121.223 0.035 0.000 2.892 212 L HA 0.448 4.813 4.340 0.042 0.000 0.269 212 L C -0.610 176.280 176.870 0.033 0.000 1.058 212 L CA -1.116 53.741 54.840 0.030 0.000 0.923 212 L CB 0.360 42.433 42.059 0.022 0.000 1.518 212 L HN -0.482 nan 8.230 nan 0.000 0.402 213 V N 2.317 122.248 119.914 0.028 0.000 2.446 213 V HA 0.050 4.195 4.120 0.042 0.000 0.276 213 V C 1.426 177.542 176.094 0.037 0.000 1.030 213 V CA -0.045 62.272 62.300 0.028 0.000 1.033 213 V CB 0.471 32.304 31.823 0.016 0.000 0.993 213 V HN 0.715 nan 8.190 nan 0.000 0.477 214 L N 5.350 126.599 121.223 0.043 0.000 2.141 214 L HA -0.026 4.339 4.340 0.042 0.000 0.209 214 L C 2.406 179.320 176.870 0.073 0.000 1.094 214 L CA 1.580 56.454 54.840 0.056 0.000 0.763 214 L CB -0.826 41.262 42.059 0.049 0.000 0.908 214 L HN 0.575 nan 8.230 nan 0.000 0.437 215 R N -0.646 119.895 120.500 0.068 0.000 2.091 215 R HA -0.163 4.203 4.340 0.042 0.000 0.238 215 R C 2.438 178.825 176.300 0.144 0.000 1.136 215 R CA 1.664 57.831 56.100 0.110 0.000 0.959 215 R CB -0.641 29.700 30.300 0.068 0.000 0.856 215 R HN 0.549 nan 8.270 nan 0.000 0.437 216 S N 0.309 116.032 115.700 0.038 0.000 2.402 216 S HA -0.062 4.434 4.470 0.042 0.000 0.229 216 S C 2.080 176.741 174.600 0.101 0.000 1.021 216 S CA 1.096 59.299 58.200 0.004 0.000 0.974 216 S CB -0.314 62.866 63.200 -0.034 0.000 0.800 216 S HN 0.077 nan 8.310 nan 0.000 0.484 217 V N 1.803 121.779 119.914 0.102 0.000 2.809 217 V HA -0.007 4.138 4.120 0.042 0.000 0.256 217 V C 2.713 178.862 176.094 0.093 0.000 1.080 217 V CA 1.833 64.206 62.300 0.121 0.000 1.102 217 V CB -0.882 31.015 31.823 0.124 0.000 0.705 217 V HN 0.493 nan 8.190 nan 0.000 0.475 218 E N -0.221 120.048 120.200 0.115 0.000 2.216 218 E HA -0.121 4.254 4.350 0.042 0.000 0.192 218 E C 1.927 178.554 176.600 0.044 0.000 0.988 218 E CA 1.146 57.581 56.400 0.057 0.000 0.834 218 E CB -0.342 29.400 29.700 0.070 0.000 0.772 218 E HN 0.679 nan 8.360 nan 0.000 0.479 219 Y N -0.264 120.032 120.300 -0.006 0.000 2.200 219 Y HA -0.095 4.475 4.550 0.034 0.000 0.290 219 Y C 2.279 178.195 175.900 0.028 0.000 1.137 219 Y CA 0.995 59.143 58.100 0.080 0.000 1.163 219 Y CB -0.183 38.329 38.460 0.087 0.000 0.988 219 Y HN 0.182 nan 8.280 nan 0.000 0.518 220 A N 0.196 123.055 122.820 0.065 0.000 1.930 220 A HA -0.193 4.152 4.320 0.042 0.000 0.217 220 A C 2.227 179.330 177.584 -0.801 0.000 1.175 220 A CA 1.557 53.503 52.037 -0.152 0.000 0.627 220 A CB -0.618 18.398 19.000 0.028 0.000 0.815 220 A HN 0.402 nan 8.150 nan 0.000 0.443 221 R N -0.289 119.678 120.500 -0.888 0.000 2.070 221 R HA -0.103 4.263 4.340 0.042 0.000 0.233 221 R C 2.344 178.312 176.300 -0.554 0.000 1.137 221 R CA 1.504 56.977 56.100 -1.046 0.000 0.945 221 R CB -0.461 29.585 30.300 -0.423 0.000 0.845 221 R HN 0.413 nan 8.270 nan 0.000 0.430 222 A N 0.080 122.678 122.820 -0.369 0.000 1.908 222 A HA -0.139 4.206 4.320 0.042 0.000 0.218 222 A C 1.546 178.819 177.584 -0.517 0.000 1.181 222 A CA 1.293 53.072 52.037 -0.431 0.000 0.627 222 A CB -0.407 18.291 19.000 -0.503 0.000 0.818 222 A HN 0.419 nan 8.150 nan 0.000 0.445 223 F N -1.279 118.549 119.950 -0.203 0.000 2.639 223 F HA 0.249 4.798 4.527 0.036 0.000 0.302 223 F C 0.713 176.450 175.800 -0.105 0.000 1.097 223 F CA -0.078 57.849 58.000 -0.123 0.000 1.294 223 F CB -0.247 38.711 39.000 -0.070 0.000 1.027 223 F HN 0.319 nan 8.300 nan 0.000 0.550 224 N N 1.261 119.925 118.700 -0.061 0.000 2.696 224 N HA -0.209 4.556 4.740 0.042 0.000 0.256 224 N C -0.984 174.608 175.510 0.137 0.000 1.031 224 N CA 0.559 53.623 53.050 0.024 0.000 0.730 224 N CB -0.847 37.685 38.487 0.074 0.000 0.894 224 N HN 0.156 nan 8.380 nan 0.000 0.544 225 V N 1.193 121.188 119.914 0.135 0.000 2.350 225 V HA 0.710 4.855 4.120 0.042 0.000 0.285 225 V C -2.305 173.984 176.094 0.324 0.000 1.014 225 V CA -1.977 60.432 62.300 0.183 0.000 0.831 225 V CB 1.524 33.413 31.823 0.109 0.000 1.000 225 V HN 0.156 nan 8.190 nan 0.000 0.433 226 P HA 0.266 nan 4.420 nan 0.000 0.267 226 P C -0.732 176.637 177.300 0.115 0.000 1.205 226 P CA 0.347 63.550 63.100 0.171 0.000 0.765 226 P CB 0.432 32.169 31.700 0.061 0.000 0.828 227 L N 3.741 125.023 121.223 0.099 0.000 2.331 227 L HA 0.625 4.990 4.340 0.042 0.000 0.275 227 L C 0.712 177.555 176.870 -0.044 0.000 1.022 227 L CA -0.732 54.130 54.840 0.037 0.000 0.812 227 L CB 1.755 43.863 42.059 0.082 0.000 1.257 227 L HN 0.285 nan 8.230 nan 0.000 0.435 228 R N 1.635 122.081 120.500 -0.091 0.000 2.502 228 R HA 0.558 4.923 4.340 0.042 0.000 0.300 228 R C -1.753 174.428 176.300 -0.198 0.000 0.984 228 R CA -0.530 55.488 56.100 -0.138 0.000 0.882 228 R CB 1.909 32.120 30.300 -0.148 0.000 1.180 228 R HN 0.442 nan 8.270 nan 0.000 0.444 229 V N 6.231 126.047 119.914 -0.162 0.000 2.348 229 V HA 0.490 4.635 4.120 0.042 0.000 0.270 229 V C 0.063 176.049 176.094 -0.181 0.000 1.037 229 V CA -0.366 61.834 62.300 -0.167 0.000 0.872 229 V CB 0.742 32.512 31.823 -0.088 0.000 1.002 229 V HN 0.819 nan 8.190 nan 0.000 0.464 230 R N 2.506 122.848 120.500 -0.263 0.000 2.831 230 R HA 0.769 5.134 4.340 0.042 0.000 0.266 230 R C -0.819 175.418 176.300 -0.105 0.000 1.051 230 R CA -0.725 55.259 56.100 -0.193 0.000 0.943 230 R CB 1.798 31.951 30.300 -0.246 0.000 1.228 230 R HN 0.442 nan 8.270 nan 0.000 0.467 231 S N -0.208 115.509 115.700 0.028 0.000 2.508 231 S HA 0.151 4.647 4.470 0.042 0.000 0.284 231 S C 0.568 175.252 174.600 0.140 0.000 1.192 231 S CA -0.501 57.741 58.200 0.070 0.000 1.070 231 S CB 1.103 64.366 63.200 0.104 0.000 1.004 231 S HN 0.657 nan 8.310 nan 0.000 0.493 232 S N 4.098 119.792 115.700 -0.011 0.000 2.701 232 S HA 0.129 4.625 4.470 0.042 0.000 0.220 232 S C 0.362 174.824 174.600 -0.230 0.000 0.954 232 S CA 0.002 58.148 58.200 -0.091 0.000 0.936 232 S CB -0.459 62.660 63.200 -0.134 0.000 0.777 232 S HN 0.809 nan 8.310 nan 0.000 0.518 233 Y N 2.056 122.429 120.300 0.120 0.000 2.498 233 Y HA 0.373 4.949 4.550 0.042 0.000 0.259 233 Y C 1.405 177.346 175.900 0.069 0.000 1.086 233 Y CA -0.634 57.511 58.100 0.076 0.000 1.287 233 Y CB -0.184 38.316 38.460 0.066 0.000 1.146 233 Y HN 0.472 nan 8.280 nan 0.000 0.523 234 S N -0.868 114.952 115.700 0.201 0.000 2.715 234 S HA 0.349 4.844 4.470 0.042 0.000 0.307 234 S C 0.005 174.674 174.600 0.116 0.000 1.119 234 S CA -0.796 57.489 58.200 0.140 0.000 0.937 234 S CB 1.375 64.652 63.200 0.127 0.000 1.150 234 S HN 0.271 nan 8.310 nan 0.000 0.521 235 N N 0.368 119.122 118.700 0.091 0.000 2.268 235 N HA 0.111 4.876 4.740 0.042 0.000 0.204 235 N C -0.697 174.853 175.510 0.066 0.000 1.124 235 N CA -0.161 52.938 53.050 0.081 0.000 0.838 235 N CB 0.158 38.682 38.487 0.062 0.000 0.994 235 N HN 0.616 nan 8.380 nan 0.000 0.489 236 D N 2.174 122.613 120.400 0.064 0.000 2.493 236 D HA -0.022 4.643 4.640 0.042 0.000 0.240 236 D C -1.279 175.035 176.300 0.024 0.000 1.142 236 D CA -1.123 52.901 54.000 0.041 0.000 0.872 236 D CB 1.244 42.071 40.800 0.045 0.000 1.173 236 D HN 0.168 nan 8.370 nan 0.000 0.467 237 P HA 0.047 nan 4.420 nan 0.000 0.237 237 P C 0.830 178.097 177.300 -0.054 0.000 1.178 237 P CA 0.561 63.651 63.100 -0.017 0.000 0.766 237 P CB 0.210 31.899 31.700 -0.019 0.000 0.876 238 G N -0.315 108.449 108.800 -0.061 0.000 2.593 238 G HA2 -0.169 3.816 3.960 0.042 0.000 0.237 238 G HA3 -0.169 3.816 3.960 0.042 0.000 0.237 238 G C -0.704 174.127 174.900 -0.115 0.000 1.312 238 G CA -0.178 44.866 45.100 -0.094 0.000 0.896 238 G HN 0.286 nan 8.290 nan 0.000 0.574 239 T N 0.496 114.974 114.554 -0.126 0.000 2.829 239 T HA 0.564 4.939 4.350 0.042 0.000 0.280 239 T C -0.248 174.384 174.700 -0.114 0.000 0.999 239 T CA -0.191 61.834 62.100 -0.124 0.000 0.983 239 T CB 1.801 70.591 68.868 -0.131 0.000 0.968 239 T HN 1.044 nan 8.240 nan 0.000 0.446 240 L N 3.797 124.954 121.223 -0.111 0.000 2.289 240 L HA 0.649 5.014 4.340 0.042 0.000 0.285 240 L C -1.307 175.477 176.870 -0.143 0.000 1.049 240 L CA -0.490 54.281 54.840 -0.115 0.000 0.804 240 L CB 0.470 42.466 42.059 -0.105 0.000 1.195 240 L HN 0.502 nan 8.230 nan 0.000 0.428 241 I N 5.862 126.337 120.570 -0.159 0.000 2.328 241 I HA 0.759 4.955 4.170 0.042 0.000 0.287 241 I C -0.109 175.724 176.117 -0.475 0.000 1.012 241 I CA 0.069 61.210 61.300 -0.266 0.000 1.195 241 I CB 1.130 39.044 38.000 -0.145 0.000 1.350 241 I HN 0.764 nan 8.210 nan 0.000 0.464 242 A N 4.415 126.850 122.820 -0.642 0.000 2.589 242 A HA 0.866 5.211 4.320 0.042 0.000 0.296 242 A C -0.216 177.030 177.584 -0.563 0.000 1.062 242 A CA -0.175 51.469 52.037 -0.655 0.000 0.686 242 A CB 1.183 20.036 19.000 -0.246 0.000 1.282 242 A HN 1.388 nan 8.150 nan 0.000 0.404 243 G N 0.183 108.762 108.800 -0.368 0.000 2.764 243 G HA2 0.316 4.301 3.960 0.042 0.000 0.686 243 G HA3 0.316 4.301 3.960 0.042 0.000 0.686 243 G C 0.100 174.984 174.900 -0.027 0.000 1.258 243 G CA 0.158 45.210 45.100 -0.080 0.000 0.846 243 G HN 2.069 nan 8.290 nan 0.000 0.596 244 S N 0.877 116.655 115.700 0.131 0.000 2.592 244 S HA 0.461 4.956 4.470 0.042 0.000 0.271 244 S C 1.956 176.583 174.600 0.045 0.000 1.326 244 S CA 0.490 58.773 58.200 0.138 0.000 1.024 244 S CB 0.559 63.833 63.200 0.123 0.000 0.921 244 S HN 1.498 nan 8.310 nan 0.000 0.527 245 M N 2.466 122.088 119.600 0.037 0.000 2.557 245 M HA 0.285 4.790 4.480 0.042 0.000 0.259 245 M C 1.280 177.588 176.300 0.013 0.000 1.086 245 M CA 1.238 56.546 55.300 0.012 0.000 1.096 245 M CB -0.463 32.142 32.600 0.008 0.000 1.424 245 M HN 0.573 nan 8.290 nan 0.000 0.488 246 E N 1.261 121.472 120.200 0.020 0.000 2.274 246 E HA -0.113 4.262 4.350 0.042 0.000 0.194 246 E C 0.780 177.386 176.600 0.009 0.000 0.996 246 E CA 1.045 57.451 56.400 0.011 0.000 0.840 246 E CB -0.076 29.629 29.700 0.009 0.000 0.772 246 E HN 0.574 nan 8.360 nan 0.000 0.491 247 D N -0.644 119.764 120.400 0.014 0.000 2.363 247 D HA 0.109 4.775 4.640 0.042 0.000 0.214 247 D C -0.081 176.222 176.300 0.004 0.000 1.093 247 D CA -0.025 53.981 54.000 0.010 0.000 0.837 247 D CB 0.410 41.220 40.800 0.016 0.000 0.948 247 D HN 0.225 nan 8.370 nan 0.000 0.507 248 I N 2.527 123.099 120.570 0.002 0.000 2.371 248 I HA 0.135 4.331 4.170 0.042 0.000 0.290 248 I C -2.002 174.118 176.117 0.005 0.000 1.028 248 I CA -1.774 59.526 61.300 -0.001 0.000 1.345 248 I CB 0.900 38.898 38.000 -0.004 0.000 1.407 248 I HN -0.382 nan 8.210 nan 0.000 0.501 249 P HA -0.019 nan 4.420 nan 0.000 0.265 249 P C 1.002 178.315 177.300 0.023 0.000 1.193 249 P CA -0.120 62.986 63.100 0.010 0.000 0.765 249 P CB 0.654 32.359 31.700 0.008 0.000 0.823 250 V N 3.192 123.120 119.914 0.022 0.000 2.392 250 V HA -0.257 3.888 4.120 0.042 0.000 0.249 250 V C 2.304 178.455 176.094 0.095 0.000 1.059 250 V CA 2.248 64.573 62.300 0.040 0.000 1.051 250 V CB -1.077 30.741 31.823 -0.009 0.000 0.658 250 V HN 0.722 nan 8.190 nan 0.000 0.455 251 E N 0.819 121.057 120.200 0.064 0.000 2.204 251 E HA -0.290 4.085 4.350 0.042 0.000 0.195 251 E C 1.896 178.533 176.600 0.061 0.000 0.990 251 E CA 1.841 58.287 56.400 0.076 0.000 0.821 251 E CB -0.188 29.537 29.700 0.042 0.000 0.750 251 E HN 0.763 nan 8.360 nan 0.000 0.477 252 E N 0.642 120.866 120.200 0.040 0.000 2.472 252 E HA 0.211 4.586 4.350 0.042 0.000 0.196 252 E C 0.139 176.743 176.600 0.007 0.000 1.033 252 E CA 0.149 56.558 56.400 0.015 0.000 0.886 252 E CB 0.456 30.159 29.700 0.005 0.000 0.944 252 E HN 0.296 nan 8.360 nan 0.000 0.492 253 A N 1.044 123.881 122.820 0.028 0.000 2.498 253 A HA 0.337 4.682 4.320 0.042 0.000 0.239 253 A C 0.198 177.762 177.584 -0.032 0.000 1.068 253 A CA -0.069 51.975 52.037 0.012 0.000 0.766 253 A CB 0.351 19.384 19.000 0.055 0.000 1.003 253 A HN 0.168 nan 8.150 nan 0.000 0.497 254 V N 0.452 120.337 119.914 -0.048 0.000 3.141 254 V HA 0.722 4.868 4.120 0.042 0.000 0.312 254 V C -0.312 175.731 176.094 -0.084 0.000 1.157 254 V CA -1.164 61.091 62.300 -0.074 0.000 1.041 254 V CB 1.451 33.238 31.823 -0.059 0.000 1.071 254 V HN 0.740 nan 8.190 nan 0.000 0.441 255 L N 1.509 122.669 121.223 -0.106 0.000 2.326 255 L HA 0.445 4.810 4.340 0.042 0.000 0.278 255 L C 1.256 178.069 176.870 -0.095 0.000 1.092 255 L CA -0.040 54.720 54.840 -0.133 0.000 0.810 255 L CB 1.351 43.279 42.059 -0.219 0.000 1.153 255 L HN 0.910 nan 8.230 nan 0.000 0.439 256 T N 0.897 115.404 114.554 -0.078 0.000 2.980 256 T HA 0.278 4.653 4.350 0.042 0.000 0.239 256 T C 0.527 175.216 174.700 -0.020 0.000 1.011 256 T CA 0.595 62.668 62.100 -0.045 0.000 1.171 256 T CB 0.571 69.418 68.868 -0.034 0.000 0.873 256 T HN 0.824 nan 8.240 nan 0.000 0.431 257 G N -0.157 108.641 108.800 -0.005 0.000 2.619 257 G HA2 0.536 4.521 3.960 0.042 0.000 0.305 257 G HA3 0.536 4.521 3.960 0.042 0.000 0.305 257 G C -2.141 172.804 174.900 0.074 0.000 1.330 257 G CA -0.440 44.693 45.100 0.054 0.000 0.789 257 G HN 0.128 nan 8.290 nan 0.000 0.487 258 V N 0.541 120.535 119.914 0.133 0.000 2.482 258 V HA 0.720 4.866 4.120 0.042 0.000 0.295 258 V C 0.237 176.397 176.094 0.111 0.000 1.026 258 V CA -0.394 61.988 62.300 0.136 0.000 0.856 258 V CB 1.054 32.985 31.823 0.180 0.000 1.001 258 V HN 1.315 nan 8.190 nan 0.000 0.424 259 A N 3.748 126.625 122.820 0.094 0.000 2.312 259 A HA 0.943 5.289 4.320 0.042 0.000 0.326 259 A C 0.194 177.820 177.584 0.070 0.000 1.172 259 A CA -0.361 51.721 52.037 0.074 0.000 0.821 259 A CB 1.235 20.272 19.000 0.062 0.000 1.166 259 A HN 0.913 nan 8.150 nan 0.000 0.493 260 T N -0.998 113.587 114.554 0.052 0.000 2.907 260 T HA 0.698 5.074 4.350 0.042 0.000 0.292 260 T C -1.447 173.274 174.700 0.034 0.000 1.043 260 T CA -0.604 61.522 62.100 0.043 0.000 1.003 260 T CB 1.926 70.812 68.868 0.030 0.000 1.084 260 T HN 0.560 nan 8.240 nan 0.000 0.483 261 D N 0.577 120.995 120.400 0.029 0.000 2.591 261 D HA 0.208 4.873 4.640 0.042 0.000 0.222 261 D C -0.191 176.118 176.300 0.015 0.000 1.360 261 D CA -0.646 53.367 54.000 0.023 0.000 0.967 261 D CB 1.273 42.089 40.800 0.027 0.000 1.456 261 D HN 0.785 nan 8.370 nan 0.000 0.588 262 K N 1.434 121.839 120.400 0.009 0.000 2.593 262 K HA 0.214 4.559 4.320 0.042 0.000 0.208 262 K C 0.417 177.017 176.600 0.001 0.000 1.051 262 K CA -0.319 55.968 56.287 0.001 0.000 1.111 262 K CB 0.304 32.803 32.500 -0.002 0.000 0.849 262 K HN 0.119 nan 8.250 nan 0.000 0.479 263 S N -0.853 114.852 115.700 0.008 0.000 2.556 263 S HA 0.109 4.604 4.470 0.042 0.000 0.216 263 S C 0.006 174.613 174.600 0.012 0.000 0.970 263 S CA -0.275 57.933 58.200 0.013 0.000 0.912 263 S CB 0.053 63.266 63.200 0.021 0.000 0.790 263 S HN 0.307 nan 8.310 nan 0.000 0.504 264 E N 1.151 121.351 120.200 0.001 0.000 2.222 264 E HA 0.795 5.170 4.350 0.042 0.000 0.272 264 E C -0.569 176.005 176.600 -0.043 0.000 0.982 264 E CA -0.263 56.134 56.400 -0.005 0.000 0.842 264 E CB 1.833 31.533 29.700 -0.001 0.000 1.144 264 E HN 0.444 nan 8.360 nan 0.000 0.397 265 A N 2.439 125.225 122.820 -0.058 0.000 2.354 265 A HA 0.693 5.038 4.320 0.042 0.000 0.321 265 A C -1.114 176.364 177.584 -0.176 0.000 1.125 265 A CA -0.825 51.123 52.037 -0.149 0.000 0.799 265 A CB 0.888 19.796 19.000 -0.154 0.000 1.293 265 A HN 0.569 nan 8.150 nan 0.000 0.452 266 K N 0.552 120.798 120.400 -0.255 0.000 2.270 266 K HA 0.728 5.073 4.320 0.042 0.000 0.255 266 K C -1.625 174.754 176.600 -0.368 0.000 0.936 266 K CA -0.586 55.523 56.287 -0.296 0.000 0.809 266 K CB 2.001 34.378 32.500 -0.204 0.000 1.131 266 K HN 0.268 nan 8.250 nan 0.000 0.427 267 V N 2.410 121.955 119.914 -0.616 0.000 2.495 267 V HA 0.375 4.521 4.120 0.042 0.000 0.298 267 V C -0.683 175.130 176.094 -0.469 0.000 1.031 267 V CA -0.640 61.330 62.300 -0.550 0.000 0.871 267 V CB 1.912 33.295 31.823 -0.734 0.000 0.988 267 V HN 0.942 nan 8.190 nan 0.000 0.432 268 T N 3.909 118.327 114.554 -0.227 0.000 2.815 268 T HA 0.427 4.802 4.350 0.042 0.000 0.289 268 T C -0.359 174.257 174.700 -0.140 0.000 1.000 268 T CA -0.353 61.660 62.100 -0.144 0.000 0.958 268 T CB 1.499 70.310 68.868 -0.095 0.000 0.944 268 T HN 0.332 nan 8.240 nan 0.000 0.442 269 V N 5.598 125.398 119.914 -0.190 0.000 2.389 269 V HA 0.293 4.438 4.120 0.042 0.000 0.264 269 V C 0.246 176.239 176.094 -0.168 0.000 1.049 269 V CA -0.566 61.537 62.300 -0.329 0.000 0.932 269 V CB 0.305 31.706 31.823 -0.704 0.000 1.011 269 V HN 0.732 nan 8.190 nan 0.000 0.475 270 L N 4.430 125.611 121.223 -0.069 0.000 2.305 270 L HA 0.602 4.967 4.340 0.042 0.000 0.281 270 L C 1.179 178.103 176.870 0.090 0.000 1.085 270 L CA 0.204 55.052 54.840 0.014 0.000 0.813 270 L CB 1.121 43.198 42.059 0.030 0.000 1.157 270 L HN 0.913 nan 8.230 nan 0.000 0.436 271 G N 3.944 112.796 108.800 0.087 0.000 2.248 271 G HA2 -0.230 3.755 3.960 0.042 0.000 0.263 271 G HA3 -0.230 3.755 3.960 0.042 0.000 0.263 271 G C -0.121 174.887 174.900 0.180 0.000 1.082 271 G CA -0.526 44.646 45.100 0.119 0.000 0.863 271 G HN 0.470 nan 8.290 nan 0.000 0.495 272 I N 1.776 122.453 120.570 0.179 0.000 2.416 272 I HA 0.240 4.435 4.170 0.042 0.000 0.288 272 I C 1.396 177.602 176.117 0.149 0.000 1.051 272 I CA -0.133 61.309 61.300 0.237 0.000 1.375 272 I CB 1.139 39.271 38.000 0.220 0.000 1.407 272 I HN 0.440 nan 8.210 nan 0.000 0.516 273 S N 3.489 119.269 115.700 0.134 0.000 2.572 273 S HA 0.013 4.508 4.470 0.042 0.000 0.279 273 S C 0.039 174.688 174.600 0.082 0.000 1.341 273 S CA -0.731 57.520 58.200 0.086 0.000 1.043 273 S CB 1.185 64.423 63.200 0.063 0.000 0.887 273 S HN 0.580 nan 8.310 nan 0.000 0.516 274 D N 1.750 122.187 120.400 0.061 0.000 2.741 274 D HA 0.238 4.903 4.640 0.042 0.000 0.233 274 D C -0.349 175.979 176.300 0.047 0.000 1.160 274 D CA -0.284 53.749 54.000 0.055 0.000 1.003 274 D CB -0.437 40.389 40.800 0.043 0.000 1.064 274 D HN 0.517 nan 8.370 nan 0.000 0.503 275 K N 1.183 121.615 120.400 0.053 0.000 2.328 275 K HA 0.559 4.904 4.320 0.042 0.000 0.246 275 K C -2.560 174.068 176.600 0.047 0.000 0.955 275 K CA -2.053 54.260 56.287 0.043 0.000 0.817 275 K CB 1.191 33.714 32.500 0.038 0.000 1.208 275 K HN -0.053 nan 8.250 nan 0.000 0.432 276 P HA 0.002 nan 4.420 nan 0.000 0.265 276 P C 0.623 177.950 177.300 0.045 0.000 1.193 276 P CA 0.882 64.004 63.100 0.037 0.000 0.765 276 P CB 0.462 32.177 31.700 0.026 0.000 0.823 277 G N 2.353 111.186 108.800 0.054 0.000 2.258 277 G HA2 -0.244 3.741 3.960 0.042 0.000 0.233 277 G HA3 -0.244 3.741 3.960 0.042 0.000 0.233 277 G C 1.144 176.099 174.900 0.092 0.000 1.006 277 G CA -0.146 44.991 45.100 0.062 0.000 0.620 277 G HN 0.490 nan 8.290 nan 0.000 0.511 278 E N 0.711 120.975 120.200 0.107 0.000 2.150 278 E HA 0.029 4.404 4.350 0.042 0.000 0.193 278 E C 2.818 179.531 176.600 0.188 0.000 0.985 278 E CA 1.417 57.914 56.400 0.162 0.000 0.814 278 E CB -0.465 29.335 29.700 0.166 0.000 0.752 278 E HN 0.843 nan 8.360 nan 0.000 0.466 279 A N 1.568 124.484 122.820 0.159 0.000 1.933 279 A HA -0.062 4.283 4.320 0.042 0.000 0.218 279 A C 2.442 180.168 177.584 0.236 0.000 1.175 279 A CA 1.830 53.991 52.037 0.208 0.000 0.628 279 A CB -0.507 18.605 19.000 0.187 0.000 0.814 279 A HN 0.264 nan 8.150 nan 0.000 0.444 280 A N -0.260 122.657 122.820 0.161 0.000 1.883 280 A HA -0.032 4.313 4.320 0.042 0.000 0.217 280 A C 2.399 180.063 177.584 0.133 0.000 1.186 280 A CA 3.021 55.139 52.037 0.136 0.000 0.624 280 A CB -1.021 18.031 19.000 0.087 0.000 0.822 280 A HN 0.746 nan 8.150 nan 0.000 0.444 281 K N -0.653 119.833 120.400 0.143 0.000 2.152 281 K HA 0.048 4.393 4.320 0.042 0.000 0.206 281 K C 1.989 178.703 176.600 0.190 0.000 1.048 281 K CA 1.745 58.130 56.287 0.163 0.000 0.933 281 K CB -1.311 31.302 32.500 0.188 0.000 0.721 281 K HN 0.344 nan 8.250 nan 0.000 0.447 282 V N -0.638 119.339 119.914 0.106 0.000 2.302 282 V HA -0.024 4.122 4.120 0.042 0.000 0.243 282 V C 2.196 178.088 176.094 -0.336 0.000 1.036 282 V CA 1.421 63.602 62.300 -0.197 0.000 1.020 282 V CB -0.480 31.010 31.823 -0.555 0.000 0.657 282 V HN 0.578 nan 8.190 nan 0.000 0.453 283 F N -0.157 119.737 119.950 -0.093 0.000 2.710 283 F HA 0.092 4.645 4.527 0.043 0.000 0.298 283 F C 2.358 178.110 175.800 -0.081 0.000 1.137 283 F CA 0.467 58.381 58.000 -0.144 0.000 1.444 283 F CB -0.139 38.771 39.000 -0.150 0.000 1.111 283 F HN 0.015 nan 8.300 nan 0.000 0.580 284 R N 1.525 122.085 120.500 0.101 0.000 2.062 284 R HA -0.028 4.338 4.340 0.042 0.000 0.229 284 R C 2.198 178.518 176.300 0.034 0.000 1.128 284 R CA 1.681 57.819 56.100 0.063 0.000 0.960 284 R CB -1.102 29.233 30.300 0.059 0.000 0.855 284 R HN 0.136 nan 8.270 nan 0.000 0.432 285 A N 0.804 123.637 122.820 0.021 0.000 1.892 285 A HA -0.140 4.205 4.320 0.042 0.000 0.218 285 A C 2.340 179.918 177.584 -0.010 0.000 1.188 285 A CA 1.823 53.868 52.037 0.013 0.000 0.631 285 A CB -0.762 18.256 19.000 0.029 0.000 0.822 285 A HN 0.368 nan 8.150 nan 0.000 0.447 286 L N -1.148 120.040 121.223 -0.058 0.000 2.093 286 L HA -0.131 4.234 4.340 0.042 0.000 0.208 286 L C 3.044 179.912 176.870 -0.004 0.000 1.085 286 L CA 0.956 55.758 54.840 -0.063 0.000 0.755 286 L CB -0.489 41.449 42.059 -0.203 0.000 0.904 286 L HN 0.436 nan 8.230 nan 0.000 0.435 287 A N -0.316 122.515 122.820 0.018 0.000 1.929 287 A HA -0.178 4.167 4.320 0.042 0.000 0.216 287 A C 1.845 179.442 177.584 0.021 0.000 1.176 287 A CA 1.606 53.659 52.037 0.027 0.000 0.628 287 A CB -0.376 18.644 19.000 0.035 0.000 0.816 287 A HN 0.305 nan 8.150 nan 0.000 0.444 288 D N 0.132 120.544 120.400 0.020 0.000 2.219 288 D HA 0.034 4.699 4.640 0.042 0.000 0.205 288 D C 1.737 178.048 176.300 0.017 0.000 0.970 288 D CA 1.301 55.311 54.000 0.018 0.000 0.851 288 D CB -0.184 40.627 40.800 0.018 0.000 0.943 288 D HN 0.426 nan 8.370 nan 0.000 0.488 289 A N -0.028 122.803 122.820 0.018 0.000 2.307 289 A HA 0.155 4.500 4.320 0.042 0.000 0.218 289 A C 0.698 178.297 177.584 0.026 0.000 1.228 289 A CA 0.235 52.284 52.037 0.021 0.000 0.857 289 A CB -0.193 18.820 19.000 0.022 0.000 0.897 289 A HN 0.057 nan 8.150 nan 0.000 0.495 290 E N -1.158 119.057 120.200 0.025 0.000 3.070 290 E HA -0.158 4.217 4.350 0.042 0.000 0.285 290 E C -0.394 176.230 176.600 0.039 0.000 0.972 290 E CA 0.534 56.951 56.400 0.028 0.000 0.915 290 E CB -1.456 28.259 29.700 0.026 0.000 1.466 290 E HN 0.481 nan 8.360 nan 0.000 0.432 291 I N 1.467 122.063 120.570 0.043 0.000 2.471 291 I HA 0.073 4.268 4.170 0.042 0.000 0.286 291 I C 0.866 177.026 176.117 0.073 0.000 1.079 291 I CA 0.348 61.688 61.300 0.068 0.000 1.398 291 I CB 0.418 38.465 38.000 0.078 0.000 1.403 291 I HN 0.106 nan 8.210 nan 0.000 0.530 292 N N 6.835 125.588 118.700 0.089 0.000 2.422 292 N HA 0.261 5.026 4.740 0.042 0.000 0.264 292 N C -0.620 174.964 175.510 0.124 0.000 1.063 292 N CA -0.604 52.497 53.050 0.085 0.000 0.959 292 N CB 1.391 39.921 38.487 0.073 0.000 1.087 292 N HN 0.325 nan 8.380 nan 0.000 0.483 293 I N 2.485 123.118 120.570 0.105 0.000 2.307 293 I HA 0.035 4.231 4.170 0.042 0.000 0.289 293 I C 1.129 177.313 176.117 0.111 0.000 1.021 293 I CA -0.231 61.159 61.300 0.151 0.000 1.224 293 I CB 1.012 39.074 38.000 0.102 0.000 1.376 293 I HN 0.593 nan 8.210 nan 0.000 0.470 294 D N 6.004 126.486 120.400 0.137 0.000 2.137 294 D HA -0.016 4.650 4.640 0.042 0.000 0.202 294 D C 0.496 176.839 176.300 0.073 0.000 0.970 294 D CA 1.269 55.321 54.000 0.088 0.000 0.837 294 D CB 0.626 41.475 40.800 0.082 0.000 0.981 294 D HN 0.514 nan 8.370 nan 0.000 0.475 295 M N 0.097 119.762 119.600 0.109 0.000 2.365 295 M HA 0.384 4.890 4.480 0.042 0.000 0.288 295 M C -2.270 174.117 176.300 0.146 0.000 1.152 295 M CA -0.683 54.667 55.300 0.084 0.000 0.948 295 M CB 2.065 34.701 32.600 0.061 0.000 1.729 295 M HN -0.272 nan 8.290 nan 0.000 0.487 296 V N 4.660 124.632 119.914 0.096 0.000 2.735 296 V HA 0.724 4.869 4.120 0.042 0.000 0.310 296 V C -1.236 174.914 176.094 0.094 0.000 1.061 296 V CA -0.691 61.702 62.300 0.154 0.000 0.913 296 V CB 2.111 33.959 31.823 0.042 0.000 1.005 296 V HN 0.877 nan 8.190 nan 0.000 0.428 297 L N 3.593 124.890 121.223 0.123 0.000 2.476 297 L HA 0.603 4.968 4.340 0.042 0.000 0.269 297 L C -0.982 175.932 176.870 0.074 0.000 0.965 297 L CA -0.045 54.837 54.840 0.070 0.000 0.845 297 L CB 1.839 43.927 42.059 0.048 0.000 1.259 297 L HN 0.784 nan 8.230 nan 0.000 0.403 298 Q N 3.682 123.514 119.800 0.053 0.000 2.285 298 Q HA 0.367 4.733 4.340 0.042 0.000 0.269 298 Q C -1.583 174.435 176.000 0.031 0.000 1.030 298 Q CA -0.637 55.195 55.803 0.049 0.000 0.788 298 Q CB 2.179 30.955 28.738 0.063 0.000 1.266 298 Q HN 0.639 nan 8.270 nan 0.000 0.438 299 N N 0.893 119.608 118.700 0.026 0.000 2.491 299 N HA 0.373 5.138 4.740 0.042 0.000 0.279 299 N C -0.484 175.039 175.510 0.021 0.000 1.236 299 N CA -0.319 52.742 53.050 0.019 0.000 0.982 299 N CB 1.292 39.788 38.487 0.015 0.000 1.194 299 N HN 0.449 nan 8.380 nan 0.000 0.582 300 V N -0.365 119.559 119.914 0.017 0.000 2.999 300 V HA 0.280 4.425 4.120 0.042 0.000 0.307 300 V C 0.613 176.720 176.094 0.021 0.000 1.084 300 V CA -0.738 61.572 62.300 0.018 0.000 1.155 300 V CB -0.081 31.750 31.823 0.014 0.000 0.975 300 V HN 0.688 nan 8.190 nan 0.000 0.490 301 S N 2.652 118.367 115.700 0.024 0.000 2.617 301 S HA 0.395 4.890 4.470 0.042 0.000 0.269 301 S C 0.291 174.905 174.600 0.023 0.000 1.292 301 S CA 0.055 58.271 58.200 0.027 0.000 1.010 301 S CB 1.226 64.445 63.200 0.031 0.000 0.944 301 S HN 1.491 nan 8.310 nan 0.000 0.536 302 S N 0.551 116.266 115.700 0.024 0.000 2.549 302 S HA 0.144 4.640 4.470 0.042 0.000 0.279 302 S C 1.369 175.981 174.600 0.020 0.000 1.321 302 S CA -0.375 57.837 58.200 0.021 0.000 1.054 302 S CB 0.164 63.377 63.200 0.022 0.000 0.899 302 S HN 1.235 nan 8.310 nan 0.000 0.497 303 V N 2.410 122.333 119.914 0.016 0.000 2.358 303 V HA 0.048 4.193 4.120 0.042 0.000 0.246 303 V C 0.938 177.041 176.094 0.015 0.000 1.047 303 V CA 1.094 63.403 62.300 0.015 0.000 1.035 303 V CB -0.970 30.860 31.823 0.012 0.000 0.658 303 V HN 0.893 nan 8.190 nan 0.000 0.452 304 E N 1.755 121.964 120.200 0.015 0.000 2.259 304 E HA 0.250 4.625 4.350 0.042 0.000 0.281 304 E C 0.516 177.127 176.600 0.018 0.000 1.027 304 E CA 0.543 56.952 56.400 0.015 0.000 0.838 304 E CB 1.240 30.948 29.700 0.013 0.000 1.066 304 E HN 0.712 nan 8.360 nan 0.000 0.401 305 D N 2.770 123.181 120.400 0.018 0.000 2.328 305 D HA -0.214 4.451 4.640 0.042 0.000 0.167 305 D C 0.915 177.230 176.300 0.026 0.000 1.205 305 D CA 2.775 56.788 54.000 0.021 0.000 1.128 305 D CB -1.626 39.188 40.800 0.023 0.000 1.157 305 D HN 1.229 nan 8.370 nan 0.000 0.468 306 G N -0.137 108.678 108.800 0.026 0.000 2.221 306 G HA2 -0.037 3.949 3.960 0.042 0.000 0.265 306 G HA3 -0.037 3.949 3.960 0.042 0.000 0.265 306 G C 0.309 175.231 174.900 0.037 0.000 1.041 306 G CA 1.545 46.662 45.100 0.028 0.000 0.807 306 G HN 1.635 nan 8.290 nan 0.000 0.502 307 T N -3.245 111.333 114.554 0.040 0.000 2.924 307 T HA 0.824 5.199 4.350 0.042 0.000 0.291 307 T C -0.266 174.462 174.700 0.047 0.000 1.045 307 T CA 0.253 62.384 62.100 0.052 0.000 1.015 307 T CB 3.143 72.047 68.868 0.060 0.000 1.103 307 T HN 0.802 nan 8.240 nan 0.000 0.496 308 T N -0.051 114.535 114.554 0.054 0.000 2.831 308 T HA 0.567 4.942 4.350 0.042 0.000 0.287 308 T C -1.836 172.891 174.700 0.044 0.000 1.070 308 T CA -0.696 61.431 62.100 0.045 0.000 1.010 308 T CB 1.573 70.467 68.868 0.042 0.000 1.264 308 T HN 0.760 nan 8.240 nan 0.000 0.532 309 D N 1.388 121.806 120.400 0.030 0.000 2.350 309 D HA 0.496 5.161 4.640 0.042 0.000 0.245 309 D C -0.615 175.695 176.300 0.017 0.000 1.036 309 D CA -0.258 53.750 54.000 0.013 0.000 0.848 309 D CB 1.802 42.605 40.800 0.005 0.000 1.307 309 D HN 0.450 nan 8.370 nan 0.000 0.469 310 I N 1.141 121.710 120.570 -0.003 0.000 2.362 310 I HA 0.200 4.395 4.170 0.042 0.000 0.289 310 I C -0.026 176.126 176.117 0.058 0.000 0.994 310 I CA -0.359 60.970 61.300 0.048 0.000 1.158 310 I CB 1.745 39.780 38.000 0.058 0.000 1.315 310 I HN 0.003 nan 8.210 nan 0.000 0.451 311 T N 6.824 121.432 114.554 0.090 0.000 2.823 311 T HA 0.656 5.031 4.350 0.042 0.000 0.279 311 T C -0.617 174.199 174.700 0.194 0.000 0.998 311 T CA -0.351 61.782 62.100 0.055 0.000 0.994 311 T CB 0.923 69.787 68.868 -0.006 0.000 0.960 311 T HN 0.411 nan 8.240 nan 0.000 0.448 312 F N 0.009 119.983 119.950 0.040 0.000 2.599 312 F HA 0.826 5.376 4.527 0.038 0.000 0.311 312 F C -0.073 175.758 175.800 0.052 0.000 1.076 312 F CA -1.164 56.891 58.000 0.093 0.000 0.937 312 F CB 1.112 40.241 39.000 0.216 0.000 1.282 312 F HN 0.523 nan 8.300 nan 0.000 0.460 313 T N -0.250 114.395 114.554 0.152 0.000 2.940 313 T HA 0.798 5.174 4.350 0.042 0.000 0.288 313 T C -0.469 174.353 174.700 0.203 0.000 1.033 313 T CA -0.481 61.642 62.100 0.038 0.000 1.033 313 T CB 1.276 70.160 68.868 0.028 0.000 1.079 313 T HN 1.541 nan 8.240 nan 0.000 0.496 314 C N -0.702 118.672 119.300 0.123 0.000 3.288 314 C HA 0.806 5.291 4.460 0.042 0.000 0.318 314 C C -3.121 171.928 174.990 0.097 0.000 1.356 314 C CA -2.266 56.854 59.018 0.171 0.000 1.359 314 C CB 0.613 28.518 27.740 0.276 0.000 1.688 314 C HN 0.681 nan 8.230 nan 0.000 0.467 315 P HA 0.181 nan 4.420 nan 0.000 0.266 315 P C 0.603 177.946 177.300 0.072 0.000 1.193 315 P CA 0.375 63.517 63.100 0.069 0.000 0.770 315 P CB 0.415 32.155 31.700 0.067 0.000 0.836 316 R N 1.414 121.946 120.500 0.054 0.000 2.152 316 R HA -0.116 4.249 4.340 0.042 0.000 0.232 316 R C 2.054 178.407 176.300 0.089 0.000 1.117 316 R CA 1.827 57.967 56.100 0.066 0.000 0.981 316 R CB -0.563 29.760 30.300 0.038 0.000 0.870 316 R HN 0.605 nan 8.270 nan 0.000 0.451 317 S N 0.346 116.088 115.700 0.071 0.000 2.474 317 S HA -0.081 4.414 4.470 0.042 0.000 0.235 317 S C 0.947 175.589 174.600 0.071 0.000 0.997 317 S CA 1.105 59.344 58.200 0.065 0.000 0.949 317 S CB 0.138 63.368 63.200 0.050 0.000 0.766 317 S HN 0.170 nan 8.310 nan 0.000 0.517 318 D N 1.114 121.567 120.400 0.089 0.000 2.360 318 D HA 0.265 4.930 4.640 0.042 0.000 0.210 318 D C 1.902 178.275 176.300 0.122 0.000 1.047 318 D CA 0.647 54.706 54.000 0.098 0.000 0.854 318 D CB -0.377 40.491 40.800 0.113 0.000 0.936 318 D HN 0.475 nan 8.370 nan 0.000 0.514 319 G N 1.255 110.151 108.800 0.159 0.000 2.484 319 G HA2 -0.333 3.652 3.960 0.042 0.000 0.215 319 G HA3 -0.333 3.652 3.960 0.042 0.000 0.215 319 G C 1.702 176.646 174.900 0.073 0.000 1.219 319 G CA 0.827 46.089 45.100 0.270 0.000 0.791 319 G HN 0.181 nan 8.290 nan 0.000 0.550 320 R N 0.174 120.644 120.500 -0.051 0.000 2.159 320 R HA -0.216 4.149 4.340 0.042 0.000 0.249 320 R C 2.546 178.765 176.300 -0.136 0.000 1.136 320 R CA 2.278 58.248 56.100 -0.217 0.000 0.951 320 R CB -0.374 29.868 30.300 -0.096 0.000 0.876 320 R HN 0.309 nan 8.270 nan 0.000 0.440 321 R N -0.142 120.337 120.500 -0.034 0.000 2.090 321 R HA 0.146 4.511 4.340 0.042 0.000 0.228 321 R C 1.950 178.262 176.300 0.020 0.000 1.110 321 R CA 1.635 57.731 56.100 -0.006 0.000 0.973 321 R CB -0.762 29.549 30.300 0.018 0.000 0.869 321 R HN 0.357 nan 8.270 nan 0.000 0.440 322 A N 0.553 123.411 122.820 0.064 0.000 1.883 322 A HA -0.207 4.138 4.320 0.042 0.000 0.217 322 A C 2.167 179.803 177.584 0.088 0.000 1.186 322 A CA 1.932 54.047 52.037 0.129 0.000 0.624 322 A CB -0.646 18.518 19.000 0.274 0.000 0.822 322 A HN 0.458 nan 8.150 nan 0.000 0.444 323 M N 0.160 119.769 119.600 0.014 0.000 2.080 323 M HA -0.193 4.313 4.480 0.042 0.000 0.260 323 M C 1.760 178.046 176.300 -0.023 0.000 1.068 323 M CA 2.353 57.629 55.300 -0.039 0.000 1.109 323 M CB -0.593 31.877 32.600 -0.217 0.000 1.342 323 M HN 0.539 nan 8.290 nan 0.000 0.405 324 E N -0.147 120.028 120.200 -0.041 0.000 2.097 324 E HA -0.218 4.157 4.350 0.042 0.000 0.196 324 E C 1.991 178.604 176.600 0.022 0.000 1.000 324 E CA 1.589 57.979 56.400 -0.017 0.000 0.804 324 E CB -0.283 29.403 29.700 -0.024 0.000 0.740 324 E HN 0.493 nan 8.360 nan 0.000 0.454 325 I N 0.806 121.397 120.570 0.035 0.000 2.133 325 I HA -0.245 3.950 4.170 0.042 0.000 0.238 325 I C 2.422 178.599 176.117 0.099 0.000 1.074 325 I CA 1.367 62.700 61.300 0.055 0.000 1.342 325 I CB -0.994 37.033 38.000 0.046 0.000 1.053 325 I HN 0.182 nan 8.210 nan 0.000 0.404 326 L N -0.011 121.280 121.223 0.114 0.000 2.275 326 L HA -0.152 4.213 4.340 0.042 0.000 0.215 326 L C 2.517 179.574 176.870 0.311 0.000 1.119 326 L CA 0.827 55.792 54.840 0.209 0.000 0.790 326 L CB -0.574 41.521 42.059 0.059 0.000 0.919 326 L HN 0.188 nan 8.230 nan 0.000 0.443 327 K N 0.719 121.223 120.400 0.174 0.000 2.103 327 K HA -0.113 4.232 4.320 0.042 0.000 0.204 327 K C 2.077 178.747 176.600 0.116 0.000 1.052 327 K CA 1.107 57.485 56.287 0.152 0.000 0.945 327 K CB 0.009 32.553 32.500 0.074 0.000 0.722 327 K HN 0.251 nan 8.250 nan 0.000 0.443 328 K N 0.574 121.025 120.400 0.085 0.000 2.032 328 K HA -0.057 4.288 4.320 0.042 0.000 0.209 328 K C 1.859 178.478 176.600 0.032 0.000 1.048 328 K CA 0.903 57.218 56.287 0.046 0.000 0.927 328 K CB -0.029 32.492 32.500 0.035 0.000 0.712 328 K HN -0.013 nan 8.250 nan 0.000 0.441 329 L N 1.201 122.476 121.223 0.087 0.000 2.465 329 L HA -0.099 4.266 4.340 0.042 0.000 0.224 329 L C 2.196 178.928 176.870 -0.231 0.000 1.145 329 L CA 1.427 56.266 54.840 -0.002 0.000 0.834 329 L CB -0.853 41.329 42.059 0.204 0.000 0.944 329 L HN 0.379 nan 8.230 nan 0.000 0.451 330 Q N 0.269 120.078 119.800 0.014 0.000 2.369 330 Q HA -0.056 4.309 4.340 0.042 0.000 0.206 330 Q C 0.413 176.316 176.000 -0.160 0.000 0.963 330 Q CA 0.617 56.361 55.803 -0.098 0.000 0.894 330 Q CB 0.444 29.323 28.738 0.235 0.000 0.965 330 Q HN 0.428 nan 8.270 nan 0.000 0.475 334 N N -2.039 116.394 118.700 -0.444 0.000 2.649 334 N HA -0.201 4.564 4.740 0.042 0.000 0.214 334 N C -0.040 175.276 175.510 -0.323 0.000 1.042 334 N CA 2.349 54.999 53.050 -0.666 0.000 1.906 334 N CB -0.946 36.603 38.487 -1.563 0.000 0.898 334 N HN 1.086 nan 8.380 nan 0.000 0.532 335 W N -2.462 118.840 121.300 0.003 0.000 3.153 335 W HA 0.463 5.149 4.660 0.044 0.000 0.316 335 W C 0.664 177.187 176.519 0.006 0.000 1.255 335 W CA -0.190 57.159 57.345 0.006 0.000 1.192 335 W CB -0.064 29.400 29.460 0.008 0.000 1.400 335 W HN -0.056 nan 8.180 nan 0.000 0.568 336 T N -2.442 112.269 114.554 0.263 0.000 3.043 336 T HA 0.222 4.597 4.350 0.042 0.000 0.263 336 T C 0.155 174.947 174.700 0.154 0.000 1.094 336 T CA 1.186 63.376 62.100 0.151 0.000 1.127 336 T CB -0.110 68.818 68.868 0.101 0.000 0.905 336 T HN 0.528 nan 8.240 nan 0.000 0.490 337 N N -1.224 117.593 118.700 0.195 0.000 3.127 337 N HA 0.484 5.249 4.740 0.042 0.000 0.239 337 N C -2.398 173.172 175.510 0.100 0.000 1.407 337 N CA -0.832 52.301 53.050 0.138 0.000 0.891 337 N CB 2.261 40.793 38.487 0.075 0.000 1.447 337 N HN -0.041 nan 8.380 nan 0.000 0.507 338 V N 2.252 122.206 119.914 0.067 0.000 2.525 338 V HA 0.505 4.650 4.120 0.042 0.000 0.299 338 V C -0.428 175.674 176.094 0.014 0.000 1.034 338 V CA -0.630 61.668 62.300 -0.003 0.000 0.863 338 V CB 1.390 33.222 31.823 0.015 0.000 0.999 338 V HN 0.459 nan 8.190 nan 0.000 0.423 339 L N 4.083 125.301 121.223 -0.009 0.000 2.334 339 L HA 0.655 5.021 4.340 0.042 0.000 0.270 339 L C -1.125 175.779 176.870 0.057 0.000 1.018 339 L CA -0.858 53.992 54.840 0.018 0.000 0.811 339 L CB 1.741 43.791 42.059 -0.015 0.000 1.271 339 L HN 0.640 nan 8.230 nan 0.000 0.443 340 Y N 1.133 121.387 120.300 -0.076 0.000 2.442 340 Y HA 0.500 5.075 4.550 0.042 0.000 0.344 340 Y C -1.420 174.437 175.900 -0.071 0.000 0.976 340 Y CA -1.088 56.962 58.100 -0.085 0.000 1.040 340 Y CB 1.828 40.254 38.460 -0.057 0.000 1.228 340 Y HN 0.519 nan 8.280 nan 0.000 0.451 341 D N 4.268 124.227 120.400 -0.734 0.000 2.470 341 D HA 0.176 4.842 4.640 0.042 0.000 0.233 341 D C -1.284 174.649 176.300 -0.612 0.000 1.372 341 D CA -0.416 53.263 54.000 -0.536 0.000 0.994 341 D CB 0.870 41.507 40.800 -0.272 0.000 1.377 341 D HN 0.679 nan 8.370 nan 0.000 0.586 342 D N 2.098 122.150 120.400 -0.580 0.000 2.559 342 D HA 0.059 4.724 4.640 0.042 0.000 0.234 342 D C 0.122 176.318 176.300 -0.174 0.000 1.226 342 D CA -0.041 53.742 54.000 -0.360 0.000 0.830 342 D CB 0.198 40.819 40.800 -0.297 0.000 1.028 342 D HN 0.396 nan 8.370 nan 0.000 0.492 343 Q N 0.318 120.025 119.800 -0.155 0.000 2.141 343 Q HA 0.245 4.611 4.340 0.042 0.000 0.248 343 Q C -0.438 175.516 176.000 -0.076 0.000 0.834 343 Q CA -0.274 55.475 55.803 -0.089 0.000 1.096 343 Q CB 2.186 30.882 28.738 -0.070 0.000 1.189 343 Q HN 0.122 nan 8.270 nan 0.000 0.471 344 V N 0.093 119.953 119.914 -0.090 0.000 2.644 344 V HA 0.797 4.942 4.120 0.042 0.000 0.295 344 V C 0.005 176.075 176.094 -0.040 0.000 1.053 344 V CA -0.149 62.111 62.300 -0.066 0.000 0.987 344 V CB 1.489 33.263 31.823 -0.082 0.000 1.006 344 V HN 0.329 nan 8.190 nan 0.000 0.472 345 G N 4.068 112.855 108.800 -0.020 0.000 2.533 345 G HA2 0.624 4.609 3.960 0.042 0.000 0.304 345 G HA3 0.624 4.609 3.960 0.042 0.000 0.304 345 G C -1.458 173.449 174.900 0.013 0.000 1.263 345 G CA -0.825 44.273 45.100 -0.003 0.000 0.964 345 G HN 0.830 nan 8.290 nan 0.000 0.479 346 K N 0.061 120.476 120.400 0.025 0.000 2.463 346 K HA 0.596 4.941 4.320 0.042 0.000 0.255 346 K C -0.691 175.949 176.600 0.066 0.000 0.942 346 K CA -0.664 55.649 56.287 0.043 0.000 0.814 346 K CB 1.807 34.328 32.500 0.034 0.000 1.122 346 K HN 0.481 nan 8.250 nan 0.000 0.425 347 V N 0.411 120.388 119.914 0.105 0.000 2.581 347 V HA 0.730 4.876 4.120 0.042 0.000 0.303 347 V C -0.618 175.612 176.094 0.226 0.000 1.041 347 V CA -0.659 61.729 62.300 0.146 0.000 0.907 347 V CB 1.556 33.463 31.823 0.141 0.000 0.994 347 V HN 0.717 nan 8.190 nan 0.000 0.442 348 S N 3.834 119.658 115.700 0.206 0.000 2.546 348 S HA 0.780 5.276 4.470 0.042 0.000 0.274 348 S C -1.053 173.678 174.600 0.219 0.000 1.121 348 S CA -0.549 57.763 58.200 0.187 0.000 0.887 348 S CB 1.900 65.145 63.200 0.075 0.000 1.094 348 S HN 0.916 nan 8.310 nan 0.000 0.474 349 L N 2.745 124.094 121.223 0.210 0.000 2.317 349 L HA 0.821 5.186 4.340 0.042 0.000 0.281 349 L C -1.270 175.591 176.870 -0.015 0.000 1.024 349 L CA -0.354 54.548 54.840 0.104 0.000 0.810 349 L CB 1.457 43.586 42.059 0.116 0.000 1.240 349 L HN 0.514 nan 8.230 nan 0.000 0.427 350 V N 3.586 123.479 119.914 -0.035 0.000 2.656 350 V HA 0.981 5.126 4.120 0.042 0.000 0.307 350 V C 0.006 176.058 176.094 -0.070 0.000 1.051 350 V CA -0.127 62.146 62.300 -0.045 0.000 0.893 350 V CB 1.595 33.409 31.823 -0.014 0.000 0.999 350 V HN 0.989 nan 8.190 nan 0.000 0.426 351 G N 1.976 110.734 108.800 -0.071 0.000 2.503 351 G HA2 0.558 4.543 3.960 0.042 0.000 0.305 351 G HA3 0.558 4.543 3.960 0.042 0.000 0.305 351 G C 0.215 175.085 174.900 -0.049 0.000 1.575 351 G CA 0.176 45.234 45.100 -0.070 0.000 0.890 351 G HN 1.008 nan 8.290 nan 0.000 0.612 352 A N 0.665 123.467 122.820 -0.031 0.000 2.024 352 A HA 0.202 4.547 4.320 0.042 0.000 0.220 352 A C 2.598 180.192 177.584 0.016 0.000 1.164 352 A CA 2.738 54.770 52.037 -0.008 0.000 0.643 352 A CB -0.563 18.434 19.000 -0.005 0.000 0.806 352 A HN 1.855 nan 8.150 nan 0.000 0.451 353 G N 0.235 109.031 108.800 -0.007 0.000 2.501 353 G HA2 -0.182 3.803 3.960 0.042 0.000 0.220 353 G HA3 -0.182 3.803 3.960 0.042 0.000 0.220 353 G C 1.469 176.415 174.900 0.077 0.000 1.114 353 G CA 1.194 46.295 45.100 0.003 0.000 0.757 353 G HN 0.783 nan 8.290 nan 0.000 0.559 354 M N -0.664 118.951 119.600 0.024 0.000 2.509 354 M HA 0.404 4.909 4.480 0.042 0.000 0.250 354 M C 2.059 178.394 176.300 0.057 0.000 1.132 354 M CA 0.842 56.165 55.300 0.038 0.000 1.080 354 M CB 0.079 32.650 32.600 -0.047 0.000 1.408 354 M HN 0.059 nan 8.290 nan 0.000 0.484 355 K N 1.985 122.416 120.400 0.051 0.000 2.009 355 K HA -0.116 4.229 4.320 0.042 0.000 0.210 355 K C 0.788 177.392 176.600 0.007 0.000 1.049 355 K CA 2.028 58.327 56.287 0.020 0.000 0.929 355 K CB -0.041 32.467 32.500 0.012 0.000 0.714 355 K HN 0.559 nan 8.250 nan 0.000 0.440 356 S N -0.245 115.455 115.700 -0.000 0.000 2.581 356 S HA 0.208 4.703 4.470 0.042 0.000 0.245 356 S C -0.995 173.402 174.600 -0.338 0.000 1.115 356 S CA -0.859 57.259 58.200 -0.137 0.000 1.093 356 S CB 0.044 63.139 63.200 -0.174 0.000 0.853 356 S HN 0.285 nan 8.310 nan 0.000 0.479 357 H N 1.469 120.537 119.070 -0.002 0.000 3.078 357 H HA 0.494 5.075 4.556 0.041 0.000 0.319 357 H C -2.863 172.475 175.328 0.016 0.000 0.995 357 H CA -1.139 54.915 56.048 0.009 0.000 1.417 357 H CB 1.146 30.916 29.762 0.013 0.000 1.598 357 H HN 0.229 nan 8.280 nan 0.000 0.515 358 P HA 0.167 nan 4.420 nan 0.000 0.272 358 P C 1.072 178.435 177.300 0.104 0.000 1.230 358 P CA 0.557 63.703 63.100 0.076 0.000 0.788 358 P CB 0.788 32.515 31.700 0.045 0.000 0.949 359 G N -0.527 108.328 108.800 0.093 0.000 2.199 359 G HA2 -0.288 3.698 3.960 0.042 0.000 0.254 359 G HA3 -0.288 3.698 3.960 0.042 0.000 0.254 359 G C 0.940 175.938 174.900 0.164 0.000 0.982 359 G CA 0.290 45.456 45.100 0.109 0.000 0.632 359 G HN 0.397 nan 8.290 nan 0.000 0.529 360 V N 1.138 121.155 119.914 0.171 0.000 2.307 360 V HA -0.157 3.988 4.120 0.042 0.000 0.245 360 V C 2.994 179.249 176.094 0.268 0.000 1.045 360 V CA 3.110 65.550 62.300 0.233 0.000 1.024 360 V CB -1.027 30.846 31.823 0.084 0.000 0.651 360 V HN 0.550 nan 8.190 nan 0.000 0.449 361 T N 0.759 115.400 114.554 0.144 0.000 2.699 361 T HA -0.238 4.137 4.350 0.042 0.000 0.268 361 T C 2.062 176.882 174.700 0.201 0.000 1.036 361 T CA 1.710 63.882 62.100 0.121 0.000 1.147 361 T CB -0.563 68.325 68.868 0.033 0.000 0.862 361 T HN 0.560 nan 8.240 nan 0.000 0.446 362 A N 1.698 124.614 122.820 0.160 0.000 1.883 362 A HA -0.180 4.165 4.320 0.042 0.000 0.217 362 A C 2.283 179.960 177.584 0.155 0.000 1.186 362 A CA 1.745 53.863 52.037 0.134 0.000 0.624 362 A CB -0.638 18.417 19.000 0.093 0.000 0.822 362 A HN 0.571 nan 8.150 nan 0.000 0.444 363 E N -1.620 118.697 120.200 0.194 0.000 2.110 363 E HA -0.165 4.211 4.350 0.042 0.000 0.193 363 E C 1.761 178.447 176.600 0.144 0.000 0.988 363 E CA 1.080 57.533 56.400 0.088 0.000 0.804 363 E CB -0.237 29.459 29.700 -0.006 0.000 0.745 363 E HN 0.720 nan 8.360 nan 0.000 0.458 364 F N 1.012 121.141 119.950 0.298 0.000 2.075 364 F HA -0.268 4.282 4.527 0.038 0.000 0.297 364 F C 2.255 178.125 175.800 0.116 0.000 1.113 364 F CA 1.286 59.454 58.000 0.280 0.000 1.218 364 F CB 0.071 39.221 39.000 0.248 0.000 0.984 364 F HN -0.021 nan 8.300 nan 0.000 0.472 365 M N 0.111 119.952 119.600 0.401 0.000 2.175 365 M HA -0.158 4.347 4.480 0.042 0.000 0.264 365 M C 1.971 178.333 176.300 0.102 0.000 1.063 365 M CA 1.510 56.961 55.300 0.252 0.000 1.119 365 M CB -1.414 31.297 32.600 0.185 0.000 1.377 365 M HN 0.252 nan 8.290 nan 0.000 0.415 366 E N 0.463 120.702 120.200 0.064 0.000 2.106 366 E HA -0.070 4.305 4.350 0.042 0.000 0.192 366 E C 2.166 178.738 176.600 -0.046 0.000 0.984 366 E CA 1.093 57.495 56.400 0.004 0.000 0.806 366 E CB -0.139 29.555 29.700 -0.010 0.000 0.750 366 E HN 0.490 nan 8.360 nan 0.000 0.458 367 A N 1.447 124.213 122.820 -0.090 0.000 1.865 367 A HA -0.206 4.139 4.320 0.042 0.000 0.217 367 A C 2.207 179.714 177.584 -0.127 0.000 1.191 367 A CA 1.314 53.257 52.037 -0.157 0.000 0.623 367 A CB -0.767 18.081 19.000 -0.254 0.000 0.826 367 A HN 0.141 nan 8.150 nan 0.000 0.444 368 L N -1.278 119.870 121.223 -0.125 0.000 2.056 368 L HA -0.157 4.208 4.340 0.042 0.000 0.207 368 L C 2.788 179.636 176.870 -0.037 0.000 1.078 368 L CA 1.630 56.419 54.840 -0.084 0.000 0.749 368 L CB -0.670 41.355 42.059 -0.057 0.000 0.901 368 L HN 0.489 nan 8.230 nan 0.000 0.433 369 R N 0.717 121.208 120.500 -0.016 0.000 2.096 369 R HA -0.225 4.141 4.340 0.042 0.000 0.240 369 R C 1.676 177.964 176.300 -0.019 0.000 1.139 369 R CA 2.302 58.398 56.100 -0.007 0.000 0.952 369 R CB -0.233 30.069 30.300 0.003 0.000 0.854 369 R HN 0.326 nan 8.270 nan 0.000 0.436 370 D N -0.171 120.209 120.400 -0.033 0.000 2.264 370 D HA -0.096 4.570 4.640 0.042 0.000 0.208 370 D C 1.477 177.755 176.300 -0.035 0.000 0.966 370 D CA 1.170 55.148 54.000 -0.036 0.000 0.864 370 D CB 0.237 41.008 40.800 -0.048 0.000 0.933 370 D HN 0.336 nan 8.370 nan 0.000 0.499 371 V N -2.185 117.706 119.914 -0.039 0.000 3.444 371 V HA 0.257 4.402 4.120 0.042 0.000 0.308 371 V C 0.594 176.673 176.094 -0.024 0.000 1.371 371 V CA -0.052 62.228 62.300 -0.034 0.000 1.141 371 V CB -0.563 31.235 31.823 -0.042 0.000 1.037 371 V HN 0.001 nan 8.190 nan 0.000 0.433 372 N N -0.410 118.278 118.700 -0.019 0.000 2.753 372 N HA -0.175 4.590 4.740 0.042 0.000 0.251 372 N C -0.253 175.252 175.510 -0.007 0.000 1.097 372 N CA 1.039 54.082 53.050 -0.011 0.000 0.786 372 N CB -1.747 36.733 38.487 -0.010 0.000 1.137 372 N HN 0.536 nan 8.380 nan 0.000 0.566 373 V N 1.307 121.216 119.914 -0.009 0.000 2.488 373 V HA 0.155 4.300 4.120 0.042 0.000 0.277 373 V C 0.958 177.059 176.094 0.011 0.000 1.046 373 V CA -0.579 61.719 62.300 -0.002 0.000 0.986 373 V CB 1.266 33.085 31.823 -0.007 0.000 0.989 373 V HN 0.323 nan 8.190 nan 0.000 0.475 374 N N 4.421 123.129 118.700 0.013 0.000 2.499 374 N HA 0.339 5.104 4.740 0.042 0.000 0.281 374 N C -0.804 174.726 175.510 0.032 0.000 1.098 374 N CA -0.585 52.477 53.050 0.020 0.000 0.979 374 N CB 0.980 39.475 38.487 0.012 0.000 1.121 374 N HN 0.561 nan 8.380 nan 0.000 0.466 375 I N 3.323 123.920 120.570 0.045 0.000 2.297 375 I HA 0.093 4.288 4.170 0.042 0.000 0.291 375 I C 1.199 177.338 176.117 0.036 0.000 1.033 375 I CA -0.190 61.146 61.300 0.059 0.000 1.253 375 I CB 1.145 39.198 38.000 0.088 0.000 1.396 375 I HN 0.576 nan 8.210 nan 0.000 0.476 376 E N 6.071 126.286 120.200 0.026 0.000 2.190 376 E HA 0.191 4.566 4.350 0.042 0.000 0.191 376 E C 0.110 176.714 176.600 0.008 0.000 0.978 376 E CA 0.510 56.916 56.400 0.010 0.000 0.839 376 E CB 0.853 30.552 29.700 -0.002 0.000 0.787 376 E HN 0.501 nan 8.360 nan 0.000 0.473 377 L N 0.308 121.538 121.223 0.012 0.000 2.591 377 L HA 0.454 4.819 4.340 0.042 0.000 0.257 377 L C -2.006 174.867 176.870 0.006 0.000 0.935 377 L CA -0.590 54.253 54.840 0.005 0.000 0.873 377 L CB 1.833 43.890 42.059 -0.004 0.000 1.397 377 L HN -0.120 nan 8.230 nan 0.000 0.414 378 I N 3.017 123.583 120.570 -0.006 0.000 2.582 378 I HA 0.645 4.840 4.170 0.042 0.000 0.292 378 I C -0.547 175.550 176.117 -0.034 0.000 1.066 378 I CA -0.347 60.937 61.300 -0.027 0.000 1.053 378 I CB 2.304 40.282 38.000 -0.037 0.000 1.241 378 I HN 0.706 nan 8.210 nan 0.000 0.421 379 S N 3.027 118.696 115.700 -0.052 0.000 2.618 379 S HA 0.943 5.438 4.470 0.042 0.000 0.277 379 S C -0.629 173.926 174.600 -0.076 0.000 1.138 379 S CA -0.487 57.684 58.200 -0.048 0.000 0.844 379 S CB 2.428 65.613 63.200 -0.025 0.000 1.127 379 S HN 0.781 nan 8.310 nan 0.000 0.474 380 T N -1.790 112.725 114.554 -0.064 0.000 2.762 380 T HA 0.847 5.222 4.350 0.042 0.000 0.301 380 T C -0.434 174.233 174.700 -0.055 0.000 1.299 380 T CA -0.157 61.897 62.100 -0.077 0.000 1.005 380 T CB 0.959 69.775 68.868 -0.087 0.000 1.377 380 T HN 1.826 nan 8.240 nan 0.000 0.504 381 S N -1.015 114.651 115.700 -0.056 0.000 2.732 381 S HA 0.515 5.010 4.470 0.042 0.000 0.293 381 S C 0.926 175.501 174.600 -0.042 0.000 1.159 381 S CA -0.260 57.915 58.200 -0.041 0.000 0.847 381 S CB 1.534 64.715 63.200 -0.033 0.000 1.169 381 S HN 0.997 nan 8.310 nan 0.000 0.501 382 E N 0.108 120.289 120.200 -0.032 0.000 2.136 382 E HA -0.238 4.137 4.350 0.042 0.000 0.208 382 E C 1.299 177.881 176.600 -0.030 0.000 1.035 382 E CA 2.506 58.890 56.400 -0.027 0.000 0.838 382 E CB -0.366 29.322 29.700 -0.020 0.000 0.748 382 E HN 0.707 nan 8.360 nan 0.000 0.459 383 I N -2.678 117.872 120.570 -0.032 0.000 3.947 383 I HA 0.343 4.539 4.170 0.042 0.000 0.327 383 I C 0.113 176.198 176.117 -0.052 0.000 1.519 383 I CA -0.567 60.711 61.300 -0.037 0.000 1.122 383 I CB 0.622 38.608 38.000 -0.024 0.000 1.146 383 I HN -0.139 nan 8.210 nan 0.000 0.442 384 R N 1.901 122.364 120.500 -0.062 0.000 2.673 384 R HA 0.658 5.024 4.340 0.042 0.000 0.281 384 R C -1.686 174.542 176.300 -0.121 0.000 0.991 384 R CA -0.664 55.390 56.100 -0.076 0.000 0.896 384 R CB 2.448 32.719 30.300 -0.049 0.000 1.201 384 R HN 0.122 nan 8.270 nan 0.000 0.457 385 I N 2.326 122.786 120.570 -0.183 0.000 2.433 385 I HA 0.378 4.573 4.170 0.042 0.000 0.292 385 I C -0.495 175.457 176.117 -0.274 0.000 1.001 385 I CA -0.626 60.486 61.300 -0.312 0.000 1.119 385 I CB 1.907 39.535 38.000 -0.620 0.000 1.289 385 I HN 0.598 nan 8.210 nan 0.000 0.438 386 S N 4.769 120.346 115.700 -0.205 0.000 2.526 386 S HA 0.795 5.290 4.470 0.042 0.000 0.293 386 S C -0.350 174.205 174.600 -0.075 0.000 1.092 386 S CA -0.662 57.486 58.200 -0.087 0.000 0.980 386 S CB 2.739 65.921 63.200 -0.030 0.000 1.048 386 S HN 0.470 nan 8.310 nan 0.000 0.483 387 V N 0.686 120.622 119.914 0.038 0.000 2.914 387 V HA 0.697 4.842 4.120 0.042 0.000 0.314 387 V C -1.048 175.087 176.094 0.069 0.000 1.084 387 V CA -1.051 61.289 62.300 0.067 0.000 0.963 387 V CB 1.394 33.315 31.823 0.164 0.000 1.025 387 V HN 0.773 nan 8.190 nan 0.000 0.432 388 L N 4.403 125.652 121.223 0.042 0.000 2.282 388 L HA 0.711 5.077 4.340 0.042 0.000 0.288 388 L C -0.214 176.672 176.870 0.027 0.000 1.033 388 L CA -0.446 54.409 54.840 0.025 0.000 0.807 388 L CB 1.381 43.440 42.059 -0.001 0.000 1.209 388 L HN 0.815 nan 8.230 nan 0.000 0.423 389 I N -0.608 119.975 120.570 0.023 0.000 3.145 389 I HA 0.582 4.777 4.170 0.042 0.000 0.313 389 I C -0.406 175.710 176.117 -0.002 0.000 1.122 389 I CA -1.368 59.942 61.300 0.017 0.000 0.987 389 I CB 1.633 39.652 38.000 0.031 0.000 1.236 389 I HN 0.376 nan 8.210 nan 0.000 0.453 390 R N 2.395 122.891 120.500 -0.007 0.000 2.538 390 R HA -0.008 4.357 4.340 0.042 0.000 0.282 390 R C 1.231 177.524 176.300 -0.012 0.000 1.009 390 R CA 0.476 56.567 56.100 -0.016 0.000 1.063 390 R CB 0.134 30.426 30.300 -0.014 0.000 0.945 390 R HN 0.920 nan 8.270 nan 0.000 0.414 391 E N 1.783 121.972 120.200 -0.019 0.000 2.160 391 E HA -0.252 4.123 4.350 0.042 0.000 0.195 391 E C 0.048 176.642 176.600 -0.011 0.000 0.991 391 E CA 1.437 57.829 56.400 -0.014 0.000 0.810 391 E CB 0.032 29.721 29.700 -0.020 0.000 0.742 391 E HN 0.427 nan 8.360 nan 0.000 0.466 392 D N 1.289 121.682 120.400 -0.013 0.000 2.218 392 D HA -0.122 4.543 4.640 0.042 0.000 0.204 392 D C 1.052 177.347 176.300 -0.010 0.000 0.976 392 D CA 1.084 55.077 54.000 -0.011 0.000 0.853 392 D CB -0.205 40.588 40.800 -0.011 0.000 0.939 392 D HN 0.258 nan 8.370 nan 0.000 0.481 393 D N -0.355 120.040 120.400 -0.008 0.000 2.349 393 D HA 0.043 4.708 4.640 0.042 0.000 0.215 393 D C 2.220 178.516 176.300 -0.006 0.000 1.016 393 D CA -0.110 53.886 54.000 -0.007 0.000 0.870 393 D CB 0.123 40.921 40.800 -0.004 0.000 0.917 393 D HN 0.215 nan 8.370 nan 0.000 0.524 394 L N 0.830 122.051 121.223 -0.002 0.000 1.963 394 L HA -0.257 4.108 4.340 0.042 0.000 0.220 394 L C 1.890 178.758 176.870 -0.003 0.000 1.076 394 L CA 1.500 56.341 54.840 0.003 0.000 0.772 394 L CB -0.257 41.804 42.059 0.003 0.000 0.892 394 L HN -0.038 nan 8.230 nan 0.000 0.435 395 D N -0.272 120.122 120.400 -0.009 0.000 2.116 395 D HA -0.196 4.469 4.640 0.042 0.000 0.193 395 D C 2.114 178.404 176.300 -0.018 0.000 0.998 395 D CA 1.584 55.575 54.000 -0.015 0.000 0.836 395 D CB -0.193 40.596 40.800 -0.019 0.000 0.951 395 D HN 0.402 nan 8.370 nan 0.000 0.449 396 A N 0.833 123.642 122.820 -0.018 0.000 1.902 396 A HA -0.037 4.308 4.320 0.042 0.000 0.217 396 A C 2.307 179.874 177.584 -0.029 0.000 1.181 396 A CA 2.349 54.373 52.037 -0.023 0.000 0.623 396 A CB -0.825 18.162 19.000 -0.021 0.000 0.818 396 A HN 0.242 nan 8.150 nan 0.000 0.443 397 A N -0.187 122.616 122.820 -0.029 0.000 1.902 397 A HA 0.166 4.511 4.320 0.042 0.000 0.217 397 A C 2.505 180.061 177.584 -0.048 0.000 1.181 397 A CA 2.107 54.115 52.037 -0.048 0.000 0.623 397 A CB -1.003 17.978 19.000 -0.032 0.000 0.818 397 A HN 1.043 nan 8.150 nan 0.000 0.443 398 A N -0.264 122.548 122.820 -0.013 0.000 1.877 398 A HA -0.155 4.190 4.320 0.042 0.000 0.216 398 A C 2.260 179.864 177.584 0.034 0.000 1.186 398 A CA 1.505 53.552 52.037 0.017 0.000 0.620 398 A CB -0.467 18.544 19.000 0.018 0.000 0.822 398 A HN 0.534 nan 8.150 nan 0.000 0.443 399 R N -0.611 119.893 120.500 0.005 0.000 2.096 399 R HA -0.067 4.298 4.340 0.042 0.000 0.235 399 R C 2.501 178.817 176.300 0.026 0.000 1.127 399 R CA 1.109 57.217 56.100 0.013 0.000 0.968 399 R CB -0.451 29.839 30.300 -0.016 0.000 0.861 399 R HN 0.527 nan 8.270 nan 0.000 0.440 400 A N 1.373 124.183 122.820 -0.018 0.000 1.858 400 A HA -0.149 4.196 4.320 0.042 0.000 0.216 400 A C 2.187 179.734 177.584 -0.063 0.000 1.190 400 A CA 1.211 53.215 52.037 -0.054 0.000 0.617 400 A CB -0.624 18.322 19.000 -0.089 0.000 0.827 400 A HN 0.175 nan 8.150 nan 0.000 0.443 401 L N -1.509 119.679 121.223 -0.058 0.000 2.083 401 L HA -0.212 4.153 4.340 0.042 0.000 0.209 401 L C 2.742 179.711 176.870 0.166 0.000 1.083 401 L CA 1.595 56.439 54.840 0.007 0.000 0.752 401 L CB -0.696 41.333 42.059 -0.050 0.000 0.899 401 L HN 0.581 nan 8.230 nan 0.000 0.433 402 H N 0.082 119.185 119.070 0.056 0.000 2.321 402 H HA -0.161 4.418 4.556 0.039 0.000 0.300 402 H C 1.968 177.331 175.328 0.059 0.000 1.087 402 H CA 1.715 57.809 56.048 0.078 0.000 1.319 402 H CB 0.502 30.290 29.762 0.043 0.000 1.379 402 H HN 0.230 nan 8.280 nan 0.000 0.501 403 E N 0.281 120.556 120.200 0.125 0.000 2.299 403 E HA -0.091 4.284 4.350 0.042 0.000 0.193 403 E C 2.211 178.770 176.600 -0.068 0.000 0.998 403 E CA 0.383 56.806 56.400 0.039 0.000 0.851 403 E CB -0.017 29.706 29.700 0.038 0.000 0.795 403 E HN 0.403 nan 8.360 nan 0.000 0.492 404 Q N -0.327 119.384 119.800 -0.149 0.000 2.030 404 Q HA -0.109 4.257 4.340 0.042 0.000 0.204 404 Q C 0.973 176.701 176.000 -0.454 0.000 0.986 404 Q CA 1.719 57.295 55.803 -0.378 0.000 0.843 404 Q CB -0.367 28.003 28.738 -0.613 0.000 0.904 404 Q HN 0.354 nan 8.270 nan 0.000 0.420 405 F N 0.558 120.467 119.950 -0.070 0.000 2.692 405 F HA 0.269 4.824 4.527 0.046 0.000 0.303 405 F C 0.023 175.757 175.800 -0.109 0.000 1.114 405 F CA -0.094 57.859 58.000 -0.078 0.000 1.361 405 F CB 0.026 38.984 39.000 -0.070 0.000 1.063 405 F HN 0.075 nan 8.300 nan 0.000 0.550 406 Q N 0.507 120.303 119.800 -0.007 0.000 2.452 406 Q HA -0.229 4.136 4.340 0.042 0.000 0.318 406 Q C 0.834 176.790 176.000 -0.074 0.000 1.386 406 Q CA 0.152 55.936 55.803 -0.032 0.000 0.872 406 Q CB -1.851 26.878 28.738 -0.016 0.000 1.151 406 Q HN 0.582 nan 8.270 nan 0.000 0.417 407 L N -1.121 119.959 121.223 -0.239 0.000 2.418 407 L HA 0.099 4.464 4.340 0.042 0.000 0.218 407 L C 1.402 178.203 176.870 -0.115 0.000 1.125 407 L CA 0.748 55.398 54.840 -0.317 0.000 0.835 407 L CB 0.096 41.747 42.059 -0.679 0.000 0.953 407 L HN 0.374 nan 8.230 nan 0.000 0.454 408 G N -0.911 107.921 108.800 0.054 0.000 2.522 408 G HA2 0.584 4.569 3.960 0.042 0.000 0.304 408 G HA3 0.584 4.569 3.960 0.042 0.000 0.304 408 G C -0.481 174.487 174.900 0.113 0.000 1.210 408 G CA 0.153 45.407 45.100 0.256 0.000 0.960 408 G HN 0.157 nan 8.290 nan 0.000 0.497 409 G N 0.000 108.861 108.800 0.101 0.000 5.446 409 G HA2 0.000 3.985 3.960 0.042 0.000 0.244 409 G HA3 0.000 3.985 3.960 0.042 0.000 0.244 409 G CA 0.000 45.136 45.100 0.059 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925