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 3ab4_1_G DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXRV REALDEGKIC IVAXXXXXXX XXXXXXXXXX DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVX DATA SEQUENCE XAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVF DATA SEQUENCE XXXXXTTDIT FTCPRSDGRR AMEILKKLQV QXXWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQL 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 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.009 19.000 0.014 0.000 0.831 3 L N 2.205 123.435 121.223 0.012 0.000 2.283 3 L HA 0.635 4.976 4.340 0.001 0.000 0.281 3 L C -0.531 176.347 176.870 0.014 0.000 1.033 3 L CA -0.748 54.097 54.840 0.009 0.000 0.848 3 L CB 0.747 42.807 42.059 0.002 0.000 1.226 3 L HN 0.977 nan 8.230 nan 0.000 0.429 4 V N 4.311 124.238 119.914 0.021 0.000 2.398 4 V HA 0.514 4.635 4.120 0.001 0.000 0.286 4 V C -0.274 175.839 176.094 0.032 0.000 1.026 4 V CA -0.467 61.852 62.300 0.031 0.000 0.868 4 V CB 1.677 33.528 31.823 0.047 0.000 0.982 4 V HN 0.390 nan 8.190 nan 0.000 0.443 5 V N 6.323 126.253 119.914 0.026 0.000 2.465 5 V HA 0.463 4.584 4.120 0.001 0.000 0.279 5 V C 0.149 176.267 176.094 0.041 0.000 1.045 5 V CA -0.267 62.048 62.300 0.025 0.000 0.938 5 V CB 1.205 33.032 31.823 0.007 0.000 0.986 5 V HN 1.026 nan 8.190 nan 0.000 0.467 6 Q N 3.860 123.694 119.800 0.056 0.000 2.330 6 Q HA 0.476 4.817 4.340 0.001 0.000 0.269 6 Q C -0.778 175.200 176.000 -0.038 0.000 1.022 6 Q CA -0.781 55.045 55.803 0.038 0.000 0.796 6 Q CB 2.802 31.595 28.738 0.091 0.000 1.271 6 Q HN 0.478 nan 8.270 nan 0.000 0.450 7 K N 2.909 123.241 120.400 -0.113 0.000 2.274 7 K HA 0.339 4.660 4.320 0.001 0.000 0.262 7 K C -1.725 174.747 176.600 -0.214 0.000 0.961 7 K CA -0.535 55.701 56.287 -0.084 0.000 0.833 7 K CB 0.861 33.345 32.500 -0.026 0.000 1.102 7 K HN 0.567 nan 8.250 nan 0.000 0.436 8 Y N 0.983 121.340 120.300 0.095 0.000 2.328 8 Y HA 0.347 4.898 4.550 0.001 0.000 0.337 8 Y C 1.059 177.002 175.900 0.071 0.000 0.966 8 Y CA -0.396 57.755 58.100 0.085 0.000 1.136 8 Y CB 1.858 40.316 38.460 -0.003 0.000 1.170 8 Y HN 0.743 nan 8.280 nan 0.000 0.470 9 G N 0.911 109.834 108.800 0.205 0.000 2.651 9 G HA2 0.311 4.272 3.960 0.001 0.000 0.260 9 G HA3 0.311 4.272 3.960 0.001 0.000 0.260 9 G C 1.083 176.068 174.900 0.140 0.000 1.216 9 G CA -0.156 45.030 45.100 0.144 0.000 0.913 9 G HN 0.865 nan 8.290 nan 0.000 0.535 10 G N -0.400 108.461 108.800 0.103 0.000 2.422 10 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 10 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 10 G C 2.188 177.148 174.900 0.099 0.000 1.146 10 G CA 1.902 47.053 45.100 0.086 0.000 0.769 10 G HN 0.925 nan 8.290 nan 0.000 0.547 11 S N 0.963 116.736 115.700 0.121 0.000 2.365 11 S HA -0.152 4.319 4.470 0.001 0.000 0.225 11 S C 2.365 177.093 174.600 0.213 0.000 1.039 11 S CA 1.846 60.139 58.200 0.155 0.000 1.033 11 S CB -0.713 62.585 63.200 0.163 0.000 0.887 11 S HN 0.206 nan 8.310 nan 0.000 0.447 12 S N 1.574 117.407 115.700 0.222 0.000 2.469 12 S HA 0.191 4.661 4.470 0.001 0.000 0.238 12 S C 0.962 175.586 174.600 0.041 0.000 0.998 12 S CA 0.825 59.120 58.200 0.159 0.000 0.957 12 S CB -0.403 62.937 63.200 0.233 0.000 0.764 12 S HN 0.498 nan 8.310 nan 0.000 0.514 13 L N 0.467 121.726 121.223 0.059 0.000 3.209 13 L HA 0.348 4.689 4.340 0.001 0.000 0.279 13 L C 1.157 178.042 176.870 0.024 0.000 1.301 13 L CA -0.019 54.827 54.840 0.009 0.000 1.004 13 L CB 0.216 42.282 42.059 0.011 0.000 1.402 13 L HN 0.062 nan 8.230 nan 0.000 0.577 14 E N 0.676 120.905 120.200 0.048 0.000 2.274 14 E HA -0.046 4.305 4.350 0.001 0.000 0.194 14 E C 0.562 177.180 176.600 0.030 0.000 0.996 14 E CA 0.758 57.188 56.400 0.050 0.000 0.840 14 E CB 0.396 30.141 29.700 0.075 0.000 0.772 14 E HN 0.553 nan 8.360 nan 0.000 0.491 15 S N -2.521 113.189 115.700 0.017 0.000 2.596 15 S HA 0.569 5.039 4.470 0.001 0.000 0.270 15 S C 0.633 175.225 174.600 -0.012 0.000 1.155 15 S CA -0.472 57.731 58.200 0.006 0.000 0.827 15 S CB 1.372 64.581 63.200 0.015 0.000 1.130 15 S HN -0.036 nan 8.310 nan 0.000 0.467 16 A N 0.969 123.780 122.820 -0.014 0.000 1.903 16 A HA -0.172 4.149 4.320 0.001 0.000 0.219 16 A C 1.972 179.536 177.584 -0.034 0.000 1.191 16 A CA 2.205 54.227 52.037 -0.025 0.000 0.638 16 A CB -1.330 17.658 19.000 -0.019 0.000 0.823 16 A HN 0.984 nan 8.150 nan 0.000 0.451 17 E N -0.878 119.307 120.200 -0.024 0.000 2.058 17 E HA -0.276 4.075 4.350 0.001 0.000 0.194 17 E C 2.254 178.823 176.600 -0.052 0.000 0.997 17 E CA 1.518 57.901 56.400 -0.029 0.000 0.801 17 E CB -0.082 29.612 29.700 -0.009 0.000 0.746 17 E HN 0.440 nan 8.360 nan 0.000 0.450 18 R N 0.279 120.749 120.500 -0.050 0.000 2.115 18 R HA 0.054 4.395 4.340 0.001 0.000 0.226 18 R C 2.268 178.486 176.300 -0.136 0.000 1.100 18 R CA 0.786 56.833 56.100 -0.090 0.000 0.980 18 R CB -0.198 30.077 30.300 -0.042 0.000 0.875 18 R HN 0.284 nan 8.270 nan 0.000 0.445 19 I N -0.133 120.372 120.570 -0.107 0.000 2.252 19 I HA -0.263 3.908 4.170 0.001 0.000 0.245 19 I C 2.158 178.185 176.117 -0.150 0.000 1.102 19 I CA 1.234 62.454 61.300 -0.135 0.000 1.385 19 I CB -0.180 37.766 38.000 -0.091 0.000 1.064 19 I HN 0.144 nan 8.210 nan 0.000 0.414 20 R N 0.453 120.886 120.500 -0.112 0.000 2.096 20 R HA -0.168 4.173 4.340 0.001 0.000 0.235 20 R C 2.203 178.428 176.300 -0.125 0.000 1.127 20 R CA 1.332 57.370 56.100 -0.103 0.000 0.968 20 R CB -0.513 29.744 30.300 -0.071 0.000 0.861 20 R HN 0.432 nan 8.270 nan 0.000 0.440 21 N N 0.879 119.496 118.700 -0.137 0.000 2.120 21 N HA -0.130 4.611 4.740 0.001 0.000 0.188 21 N C 1.709 177.092 175.510 -0.212 0.000 1.024 21 N CA 1.187 54.145 53.050 -0.153 0.000 0.852 21 N CB 0.084 38.474 38.487 -0.162 0.000 1.003 21 N HN 0.003 nan 8.380 nan 0.000 0.424 22 V N 1.700 121.437 119.914 -0.295 0.000 2.343 22 V HA -0.178 3.943 4.120 0.001 0.000 0.247 22 V C 2.623 178.479 176.094 -0.396 0.000 1.051 22 V CA 1.701 63.719 62.300 -0.470 0.000 1.036 22 V CB -0.965 30.435 31.823 -0.705 0.000 0.654 22 V HN 0.411 nan 8.190 nan 0.000 0.451 23 A N 0.995 123.650 122.820 -0.276 0.000 1.892 23 A HA -0.295 4.025 4.320 0.001 0.000 0.218 23 A C 2.149 179.649 177.584 -0.140 0.000 1.188 23 A CA 2.309 54.232 52.037 -0.190 0.000 0.631 23 A CB -0.566 18.354 19.000 -0.133 0.000 0.822 23 A HN 0.751 nan 8.150 nan 0.000 0.447 24 E N -0.187 119.938 120.200 -0.124 0.000 2.204 24 E HA -0.156 4.195 4.350 0.001 0.000 0.194 24 E C 2.000 178.553 176.600 -0.078 0.000 0.989 24 E CA 1.428 57.778 56.400 -0.084 0.000 0.824 24 E CB -0.330 29.328 29.700 -0.069 0.000 0.756 24 E HN 0.584 nan 8.360 nan 0.000 0.477 25 R N 0.082 120.514 120.500 -0.115 0.000 2.075 25 R HA 0.057 4.397 4.340 0.001 0.000 0.232 25 R C 2.372 178.634 176.300 -0.063 0.000 1.126 25 R CA 1.574 57.619 56.100 -0.092 0.000 0.963 25 R CB -0.280 29.929 30.300 -0.151 0.000 0.858 25 R HN 0.299 nan 8.270 nan 0.000 0.435 26 I N 0.130 120.641 120.570 -0.099 0.000 2.179 26 I HA -0.268 3.903 4.170 0.001 0.000 0.242 26 I C 2.157 178.263 176.117 -0.019 0.000 1.088 26 I CA 1.101 62.376 61.300 -0.042 0.000 1.357 26 I CB -0.177 37.779 38.000 -0.073 0.000 1.051 26 I HN 0.015 nan 8.210 nan 0.000 0.409 27 V N 1.006 120.899 119.914 -0.036 0.000 2.427 27 V HA -0.254 3.866 4.120 0.001 0.000 0.248 27 V C 2.668 178.757 176.094 -0.009 0.000 1.051 27 V CA 1.865 64.153 62.300 -0.021 0.000 1.048 27 V CB -0.951 30.855 31.823 -0.029 0.000 0.666 27 V HN 0.491 nan 8.190 nan 0.000 0.456 28 A N -0.205 122.609 122.820 -0.010 0.000 1.969 28 A HA -0.180 4.141 4.320 0.001 0.000 0.218 28 A C 2.381 179.975 177.584 0.016 0.000 1.169 28 A CA 2.223 54.262 52.037 0.002 0.000 0.635 28 A CB -0.790 18.212 19.000 0.003 0.000 0.810 28 A HN 0.501 nan 8.150 nan 0.000 0.445 29 T N -0.194 114.374 114.554 0.023 0.000 2.821 29 T HA -0.127 4.224 4.350 0.001 0.000 0.267 29 T C 1.957 176.674 174.700 0.028 0.000 1.046 29 T CA 1.709 63.832 62.100 0.038 0.000 1.139 29 T CB -0.147 68.756 68.868 0.057 0.000 0.871 29 T HN 0.693 nan 8.240 nan 0.000 0.454 30 K N 1.666 122.078 120.400 0.021 0.000 2.025 30 K HA -0.088 4.233 4.320 0.001 0.000 0.207 30 K C 2.627 179.235 176.600 0.013 0.000 1.049 30 K CA 1.754 58.051 56.287 0.017 0.000 0.933 30 K CB -0.342 32.165 32.500 0.013 0.000 0.714 30 K HN 0.259 nan 8.250 nan 0.000 0.438 31 K N 0.744 121.151 120.400 0.010 0.000 2.074 31 K HA -0.084 4.237 4.320 0.001 0.000 0.209 31 K C 2.239 178.846 176.600 0.011 0.000 1.048 31 K CA 1.817 58.109 56.287 0.009 0.000 0.926 31 K CB -1.518 30.985 32.500 0.006 0.000 0.713 31 K HN 0.491 nan 8.250 nan 0.000 0.444 32 A N -0.820 122.009 122.820 0.015 0.000 2.032 32 A HA 0.248 4.569 4.320 0.001 0.000 0.221 32 A C 2.263 179.855 177.584 0.014 0.000 1.165 32 A CA 2.215 54.262 52.037 0.016 0.000 0.645 32 A CB -0.565 18.447 19.000 0.021 0.000 0.807 32 A HN 1.767 nan 8.150 nan 0.000 0.453 33 G N -2.185 106.623 108.800 0.014 0.000 2.234 33 G HA2 -0.130 3.830 3.960 0.001 0.000 0.153 33 G HA3 -0.130 3.830 3.960 0.001 0.000 0.153 33 G C -0.267 174.641 174.900 0.014 0.000 1.013 33 G CA -0.012 45.095 45.100 0.012 0.000 0.712 33 G HN 0.582 nan 8.290 nan 0.000 0.491 34 N N 1.217 119.927 118.700 0.017 0.000 2.508 34 N HA 0.529 5.269 4.740 0.001 0.000 0.285 34 N C -1.107 174.414 175.510 0.017 0.000 1.144 34 N CA -0.609 52.452 53.050 0.018 0.000 0.978 34 N CB 1.036 39.538 38.487 0.025 0.000 1.180 34 N HN 0.034 nan 8.380 nan 0.000 0.484 35 D N 0.715 121.123 120.400 0.014 0.000 2.225 35 D HA 0.220 4.861 4.640 0.001 0.000 0.248 35 D C -0.871 175.438 176.300 0.015 0.000 1.096 35 D CA -0.137 53.870 54.000 0.012 0.000 0.863 35 D CB 1.716 42.519 40.800 0.004 0.000 1.156 35 D HN 0.079 nan 8.370 nan 0.000 0.450 36 V N 3.084 123.009 119.914 0.019 0.000 2.483 36 V HA 0.443 4.564 4.120 0.001 0.000 0.297 36 V C -0.974 175.135 176.094 0.025 0.000 1.027 36 V CA -0.668 61.649 62.300 0.029 0.000 0.855 36 V CB 1.802 33.650 31.823 0.041 0.000 0.995 36 V HN 0.297 nan 8.190 nan 0.000 0.424 37 V N 8.086 128.012 119.914 0.020 0.000 2.495 37 V HA 0.898 5.019 4.120 0.001 0.000 0.298 37 V C -0.692 175.429 176.094 0.044 0.000 1.031 37 V CA 0.181 62.488 62.300 0.011 0.000 0.871 37 V CB 1.858 33.658 31.823 -0.038 0.000 0.988 37 V HN 1.486 nan 8.190 nan 0.000 0.432 38 V N 5.463 125.416 119.914 0.066 0.000 2.769 38 V HA 0.928 5.048 4.120 0.001 0.000 0.312 38 V C -0.990 175.164 176.094 0.100 0.000 1.061 38 V CA -0.395 61.972 62.300 0.113 0.000 0.931 38 V CB 1.978 33.899 31.823 0.164 0.000 1.010 38 V HN 0.882 nan 8.190 nan 0.000 0.433 39 V N 3.321 123.305 119.914 0.117 0.000 2.709 39 V HA 0.571 4.692 4.120 0.001 0.000 0.308 39 V C -0.284 175.890 176.094 0.133 0.000 1.062 39 V CA -0.323 62.032 62.300 0.091 0.000 0.901 39 V CB 1.682 33.533 31.823 0.047 0.000 1.003 39 V HN 1.176 nan 8.190 nan 0.000 0.425 40 C N 2.630 121.994 119.300 0.107 0.000 2.417 40 C HA 0.683 5.144 4.460 0.001 0.000 0.324 40 C C 0.987 176.024 174.990 0.078 0.000 1.240 40 C CA -0.515 58.572 59.018 0.115 0.000 1.632 40 C CB 1.417 29.204 27.740 0.078 0.000 2.241 40 C HN 0.940 nan 8.230 nan 0.000 0.499 41 S N 1.233 116.983 115.700 0.084 0.000 2.626 41 S HA 0.532 5.003 4.470 0.001 0.000 0.257 41 S C 0.517 175.146 174.600 0.049 0.000 1.288 41 S CA -0.400 57.836 58.200 0.059 0.000 0.980 41 S CB 0.391 63.630 63.200 0.064 0.000 0.975 41 S HN 1.028 nan 8.310 nan 0.000 0.577 42 A N 0.880 123.723 122.820 0.038 0.000 2.406 42 A HA 0.385 4.705 4.320 0.001 0.000 0.243 42 A C 0.329 177.934 177.584 0.035 0.000 1.082 42 A CA -0.248 51.807 52.037 0.031 0.000 0.786 42 A CB -0.260 18.755 19.000 0.025 0.000 1.029 42 A HN 0.759 nan 8.150 nan 0.000 0.495 43 M N 1.779 121.396 119.600 0.028 0.000 2.252 43 M HA 0.269 4.750 4.480 0.001 0.000 0.348 43 M C 1.586 177.907 176.300 0.034 0.000 1.334 43 M CA 1.327 56.644 55.300 0.029 0.000 1.071 43 M CB -0.178 32.432 32.600 0.018 0.000 1.763 43 M HN 1.252 nan 8.290 nan 0.000 0.452 44 G N 3.175 112.001 108.800 0.044 0.000 2.702 44 G HA2 -0.313 3.648 3.960 0.001 0.000 0.342 44 G HA3 -0.313 3.648 3.960 0.001 0.000 0.342 44 G C 0.281 175.206 174.900 0.041 0.000 1.258 44 G CA 0.772 45.900 45.100 0.047 0.000 0.990 44 G HN 0.794 nan 8.290 nan 0.000 0.548 45 D N 0.785 121.204 120.400 0.033 0.000 2.463 45 D HA 0.222 4.863 4.640 0.001 0.000 0.224 45 D C 2.084 178.398 176.300 0.024 0.000 1.174 45 D CA 0.986 55.003 54.000 0.028 0.000 0.829 45 D CB 0.230 41.045 40.800 0.025 0.000 0.993 45 D HN 0.507 nan 8.370 nan 0.000 0.497 46 T N -1.195 113.373 114.554 0.023 0.000 2.833 46 T HA -0.156 4.195 4.350 0.001 0.000 0.269 46 T C 1.882 176.593 174.700 0.018 0.000 1.054 46 T CA 1.677 63.788 62.100 0.019 0.000 1.135 46 T CB -0.077 68.801 68.868 0.017 0.000 0.869 46 T HN -0.044 nan 8.240 nan 0.000 0.466 47 T N 1.591 116.157 114.554 0.020 0.000 2.720 47 T HA -0.099 4.252 4.350 0.001 0.000 0.268 47 T C 1.632 176.343 174.700 0.017 0.000 1.037 47 T CA 1.704 63.816 62.100 0.018 0.000 1.144 47 T CB -0.568 68.312 68.868 0.020 0.000 0.864 47 T HN 0.486 nan 8.240 nan 0.000 0.444 48 D N 0.896 121.307 120.400 0.019 0.000 2.117 48 D HA -0.036 4.605 4.640 0.001 0.000 0.198 48 D C 2.252 178.562 176.300 0.016 0.000 0.982 48 D CA 0.841 54.852 54.000 0.018 0.000 0.828 48 D CB -0.285 40.526 40.800 0.020 0.000 0.967 48 D HN 0.505 nan 8.370 nan 0.000 0.464 49 E N -0.148 120.062 120.200 0.016 0.000 2.118 49 E HA -0.170 4.181 4.350 0.001 0.000 0.195 49 E C 1.868 178.475 176.600 0.012 0.000 0.992 49 E CA 0.549 56.957 56.400 0.014 0.000 0.804 49 E CB 0.033 29.741 29.700 0.014 0.000 0.741 49 E HN 0.140 nan 8.360 nan 0.000 0.458 50 L N 0.199 121.430 121.223 0.013 0.000 2.095 50 L HA -0.124 4.217 4.340 0.001 0.000 0.204 50 L C 2.059 178.936 176.870 0.011 0.000 1.080 50 L CA 0.998 55.845 54.840 0.011 0.000 0.759 50 L CB -0.414 41.652 42.059 0.011 0.000 0.914 50 L HN 0.157 nan 8.230 nan 0.000 0.439 51 L N 0.094 121.324 121.223 0.012 0.000 2.079 51 L HA -0.189 4.152 4.340 0.001 0.000 0.210 51 L C 2.892 179.769 176.870 0.012 0.000 1.081 51 L CA 2.262 57.110 54.840 0.012 0.000 0.752 51 L CB -1.759 40.307 42.059 0.013 0.000 0.896 51 L HN 0.460 nan 8.230 nan 0.000 0.433 52 E N -0.777 119.430 120.200 0.012 0.000 2.106 52 E HA -0.135 4.216 4.350 0.001 0.000 0.192 52 E C 2.110 178.716 176.600 0.010 0.000 0.984 52 E CA 1.016 57.423 56.400 0.012 0.000 0.806 52 E CB -0.449 29.258 29.700 0.012 0.000 0.750 52 E HN 0.270 nan 8.360 nan 0.000 0.458 53 L N 0.137 121.366 121.223 0.010 0.000 2.056 53 L HA 0.018 4.359 4.340 0.001 0.000 0.207 53 L C 3.049 179.924 176.870 0.008 0.000 1.078 53 L CA 1.840 56.684 54.840 0.008 0.000 0.749 53 L CB -1.410 40.654 42.059 0.008 0.000 0.901 53 L HN 0.472 nan 8.230 nan 0.000 0.433 54 A N 0.164 122.989 122.820 0.008 0.000 1.892 54 A HA -0.248 4.073 4.320 0.001 0.000 0.218 54 A C 2.479 180.068 177.584 0.008 0.000 1.188 54 A CA 2.236 54.277 52.037 0.008 0.000 0.631 54 A CB -0.687 18.318 19.000 0.008 0.000 0.822 54 A HN 0.429 nan 8.150 nan 0.000 0.447 55 A N -0.734 122.092 122.820 0.009 0.000 1.969 55 A HA 0.269 4.590 4.320 0.001 0.000 0.218 55 A C 2.379 179.968 177.584 0.008 0.000 1.169 55 A CA 1.779 53.821 52.037 0.009 0.000 0.635 55 A CB -0.739 18.267 19.000 0.011 0.000 0.810 55 A HN 1.083 nan 8.150 nan 0.000 0.445 56 A N -0.954 121.871 122.820 0.008 0.000 2.067 56 A HA 0.189 4.510 4.320 0.001 0.000 0.217 56 A C 2.010 179.597 177.584 0.006 0.000 1.156 56 A CA 1.417 53.458 52.037 0.007 0.000 0.683 56 A CB -0.347 18.657 19.000 0.007 0.000 0.808 56 A HN 0.317 nan 8.150 nan 0.000 0.455 57 V N -0.368 119.550 119.914 0.006 0.000 2.878 57 V HA 0.066 4.187 4.120 0.001 0.000 0.250 57 V C 0.676 176.774 176.094 0.006 0.000 1.075 57 V CA 1.360 63.663 62.300 0.006 0.000 1.096 57 V CB -0.552 31.275 31.823 0.006 0.000 0.724 57 V HN 0.746 nan 8.190 nan 0.000 0.467 58 N N 0.364 119.068 118.700 0.006 0.000 2.752 58 N HA 0.201 4.942 4.740 0.001 0.000 0.268 58 N C -3.154 172.360 175.510 0.007 0.000 1.190 58 N CA -0.978 52.075 53.050 0.006 0.000 0.897 58 N CB 2.195 40.686 38.487 0.006 0.000 1.515 58 N HN -0.042 nan 8.380 nan 0.000 0.567 59 P HA 0.096 nan 4.420 nan 0.000 0.271 59 P C -0.174 177.131 177.300 0.008 0.000 1.216 59 P CA 0.339 63.443 63.100 0.008 0.000 0.771 59 P CB 1.082 32.786 31.700 0.008 0.000 0.864 60 V N 1.898 121.818 119.914 0.009 0.000 6.358 60 V HA -0.166 3.955 4.120 0.001 0.000 0.310 60 V C -2.282 173.817 176.094 0.008 0.000 0.525 60 V CA -0.368 61.937 62.300 0.009 0.000 0.682 60 V CB -2.458 29.371 31.823 0.009 0.000 0.430 60 V HN 0.612 nan 8.190 nan 0.000 0.720 61 P HA 0.433 nan 4.420 nan 0.000 0.276 61 P C -2.044 175.260 177.300 0.007 0.000 1.235 61 P CA -0.959 62.145 63.100 0.007 0.000 0.772 61 P CB 0.332 32.037 31.700 0.008 0.000 0.871 62 P HA 0.054 nan 4.420 nan 0.000 0.269 62 P C 0.622 177.926 177.300 0.007 0.000 1.215 62 P CA -0.020 63.084 63.100 0.007 0.000 0.780 62 P CB 0.490 32.194 31.700 0.006 0.000 0.898 63 A N 3.073 125.897 122.820 0.007 0.000 1.929 63 A HA -0.181 4.139 4.320 0.001 0.000 0.216 63 A C 1.917 179.505 177.584 0.006 0.000 1.176 63 A CA 1.248 53.289 52.037 0.007 0.000 0.628 63 A CB -0.588 18.416 19.000 0.007 0.000 0.816 63 A HN 0.466 nan 8.150 nan 0.000 0.444 64 R N 0.970 121.473 120.500 0.006 0.000 2.070 64 R HA -0.093 4.248 4.340 0.001 0.000 0.233 64 R C 1.811 178.115 176.300 0.006 0.000 1.137 64 R CA 1.595 57.699 56.100 0.006 0.000 0.945 64 R CB -0.641 29.662 30.300 0.006 0.000 0.845 64 R HN 0.525 nan 8.270 nan 0.000 0.430 65 E N 0.693 120.896 120.200 0.005 0.000 2.106 65 E HA -0.159 4.192 4.350 0.001 0.000 0.192 65 E C 1.908 178.512 176.600 0.006 0.000 0.984 65 E CA 0.964 57.367 56.400 0.005 0.000 0.806 65 E CB -0.436 29.267 29.700 0.005 0.000 0.750 65 E HN 0.238 nan 8.360 nan 0.000 0.458 66 M N 1.783 121.387 119.600 0.006 0.000 2.149 66 M HA -0.172 4.309 4.480 0.001 0.000 0.261 66 M C 1.575 177.878 176.300 0.005 0.000 1.064 66 M CA 1.734 57.038 55.300 0.006 0.000 1.102 66 M CB -0.264 32.340 32.600 0.006 0.000 1.369 66 M HN -0.049 nan 8.290 nan 0.000 0.408 67 D N -0.935 119.468 120.400 0.005 0.000 2.123 67 D HA -0.124 4.516 4.640 0.001 0.000 0.200 67 D C 1.951 178.254 176.300 0.005 0.000 0.976 67 D CA 1.338 55.341 54.000 0.004 0.000 0.831 67 D CB -0.019 40.784 40.800 0.004 0.000 0.974 67 D HN 0.383 nan 8.370 nan 0.000 0.469 68 M N -0.387 119.216 119.600 0.006 0.000 2.088 68 M HA -0.209 4.272 4.480 0.001 0.000 0.256 68 M C 2.060 178.364 176.300 0.006 0.000 1.071 68 M CA 1.194 56.497 55.300 0.006 0.000 1.097 68 M CB -0.324 32.279 32.600 0.005 0.000 1.315 68 M HN 0.199 nan 8.290 nan 0.000 0.406 69 L N 0.508 121.735 121.223 0.006 0.000 1.976 69 L HA -0.179 4.162 4.340 0.001 0.000 0.209 69 L C 2.100 178.975 176.870 0.007 0.000 1.071 69 L CA 1.871 56.714 54.840 0.006 0.000 0.746 69 L CB -0.658 41.405 42.059 0.007 0.000 0.890 69 L HN 0.267 nan 8.230 nan 0.000 0.432 70 L N -1.567 119.660 121.223 0.007 0.000 2.093 70 L HA -0.172 4.168 4.340 0.001 0.000 0.208 70 L C 2.344 179.220 176.870 0.010 0.000 1.085 70 L CA 1.481 56.326 54.840 0.009 0.000 0.755 70 L CB -1.227 40.836 42.059 0.007 0.000 0.904 70 L HN 0.275 nan 8.230 nan 0.000 0.435 71 T N 0.385 114.944 114.554 0.009 0.000 2.665 71 T HA -0.248 4.103 4.350 0.001 0.000 0.268 71 T C 2.079 176.786 174.700 0.011 0.000 1.035 71 T CA 1.601 63.708 62.100 0.011 0.000 1.151 71 T CB -0.306 68.568 68.868 0.010 0.000 0.862 71 T HN 0.468 nan 8.240 nan 0.000 0.438 72 A N 1.425 124.250 122.820 0.008 0.000 1.917 72 A HA 0.012 4.332 4.320 0.001 0.000 0.219 72 A C 2.660 180.249 177.584 0.008 0.000 1.182 72 A CA 2.102 54.143 52.037 0.007 0.000 0.633 72 A CB -1.504 17.499 19.000 0.005 0.000 0.819 72 A HN 0.535 nan 8.150 nan 0.000 0.448 73 G N -0.652 108.154 108.800 0.010 0.000 2.469 73 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 73 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 73 G C 1.445 176.353 174.900 0.015 0.000 1.150 73 G CA 1.204 46.312 45.100 0.012 0.000 0.763 73 G HN 0.671 nan 8.290 nan 0.000 0.561 74 E N -0.326 119.884 120.200 0.016 0.000 2.158 74 E HA 0.054 4.405 4.350 0.001 0.000 0.191 74 E C 2.735 179.347 176.600 0.019 0.000 0.982 74 E CA 0.105 56.517 56.400 0.021 0.000 0.823 74 E CB -0.022 29.692 29.700 0.023 0.000 0.766 74 E HN 0.266 nan 8.360 nan 0.000 0.468 75 R N 0.394 120.903 120.500 0.015 0.000 2.148 75 R HA -0.049 4.291 4.340 0.001 0.000 0.227 75 R C 2.260 178.563 176.300 0.005 0.000 1.103 75 R CA 0.710 56.817 56.100 0.011 0.000 0.983 75 R CB -0.211 30.093 30.300 0.007 0.000 0.874 75 R HN 0.236 nan 8.270 nan 0.000 0.451 76 I N 0.758 121.331 120.570 0.005 0.000 2.127 76 I HA -0.324 3.847 4.170 0.001 0.000 0.241 76 I C 2.277 178.394 176.117 -0.001 0.000 1.075 76 I CA 1.858 63.159 61.300 0.001 0.000 1.334 76 I CB -0.274 37.728 38.000 0.003 0.000 1.040 76 I HN 0.186 nan 8.210 nan 0.000 0.405 77 S N 0.303 116.005 115.700 0.003 0.000 2.436 77 S HA -0.052 4.419 4.470 0.001 0.000 0.228 77 S C 1.692 176.288 174.600 -0.006 0.000 1.014 77 S CA 0.596 58.795 58.200 -0.002 0.000 0.950 77 S CB -0.488 62.715 63.200 0.005 0.000 0.784 77 S HN 0.371 nan 8.310 nan 0.000 0.504 78 N N 2.851 121.555 118.700 0.007 0.000 2.104 78 N HA 0.001 4.742 4.740 0.001 0.000 0.190 78 N C 1.877 177.386 175.510 -0.003 0.000 1.024 78 N CA 1.639 54.695 53.050 0.010 0.000 0.853 78 N CB -0.846 37.656 38.487 0.024 0.000 1.008 78 N HN 0.585 nan 8.380 nan 0.000 0.424 79 A N 0.704 123.520 122.820 -0.007 0.000 1.898 79 A HA -0.003 4.318 4.320 0.001 0.000 0.216 79 A C 2.371 179.942 177.584 -0.021 0.000 1.181 79 A CA 0.831 52.859 52.037 -0.014 0.000 0.620 79 A CB -0.650 18.341 19.000 -0.014 0.000 0.819 79 A HN 0.214 nan 8.150 nan 0.000 0.442 80 L N -0.586 120.623 121.223 -0.023 0.000 2.056 80 L HA -0.127 4.213 4.340 0.001 0.000 0.207 80 L C 2.468 179.311 176.870 -0.045 0.000 1.078 80 L CA 0.860 55.681 54.840 -0.031 0.000 0.749 80 L CB -0.473 41.568 42.059 -0.030 0.000 0.901 80 L HN 0.226 nan 8.230 nan 0.000 0.433 81 V N 0.050 119.932 119.914 -0.053 0.000 2.407 81 V HA -0.264 3.856 4.120 0.001 0.000 0.248 81 V C 2.720 178.779 176.094 -0.057 0.000 1.055 81 V CA 1.688 63.942 62.300 -0.076 0.000 1.049 81 V CB -0.790 30.978 31.823 -0.091 0.000 0.662 81 V HN 0.471 nan 8.190 nan 0.000 0.455 82 A N -0.583 122.216 122.820 -0.035 0.000 1.902 82 A HA -0.222 4.098 4.320 0.001 0.000 0.217 82 A C 2.236 179.803 177.584 -0.029 0.000 1.181 82 A CA 2.090 54.113 52.037 -0.024 0.000 0.623 82 A CB -0.443 18.548 19.000 -0.015 0.000 0.818 82 A HN 0.485 nan 8.150 nan 0.000 0.443 83 M N -0.535 119.046 119.600 -0.031 0.000 2.086 83 M HA -0.152 4.329 4.480 0.001 0.000 0.261 83 M C 2.550 178.828 176.300 -0.036 0.000 1.067 83 M CA 1.499 56.781 55.300 -0.031 0.000 1.116 83 M CB -0.407 32.175 32.600 -0.029 0.000 1.348 83 M HN 0.479 nan 8.290 nan 0.000 0.407 84 A N 0.568 123.360 122.820 -0.047 0.000 1.877 84 A HA -0.154 4.166 4.320 0.001 0.000 0.216 84 A C 2.064 179.616 177.584 -0.054 0.000 1.186 84 A CA 1.572 53.575 52.037 -0.056 0.000 0.620 84 A CB -0.971 17.983 19.000 -0.078 0.000 0.822 84 A HN 0.467 nan 8.150 nan 0.000 0.443 85 I N -0.612 119.925 120.570 -0.054 0.000 2.286 85 I HA -0.272 3.899 4.170 0.001 0.000 0.248 85 I C 2.477 178.576 176.117 -0.031 0.000 1.115 85 I CA 1.704 62.977 61.300 -0.045 0.000 1.392 85 I CB -0.361 37.617 38.000 -0.037 0.000 1.065 85 I HN 0.413 nan 8.210 nan 0.000 0.418 86 E N 0.405 120.589 120.200 -0.027 0.000 2.106 86 E HA -0.182 4.169 4.350 0.001 0.000 0.192 86 E C 2.279 178.867 176.600 -0.020 0.000 0.984 86 E CA 1.585 57.973 56.400 -0.020 0.000 0.806 86 E CB -0.054 29.635 29.700 -0.019 0.000 0.750 86 E HN 0.510 nan 8.360 nan 0.000 0.458 87 S N 0.491 116.177 115.700 -0.024 0.000 2.419 87 S HA -0.085 4.385 4.470 0.001 0.000 0.233 87 S C 1.761 176.348 174.600 -0.022 0.000 1.016 87 S CA 0.596 58.782 58.200 -0.023 0.000 0.974 87 S CB -0.041 63.143 63.200 -0.025 0.000 0.786 87 S HN 0.096 nan 8.310 nan 0.000 0.492 88 L N 1.246 122.453 121.223 -0.026 0.000 2.554 88 L HA 0.297 4.638 4.340 0.001 0.000 0.226 88 L C 2.037 178.896 176.870 -0.018 0.000 1.137 88 L CA 1.432 56.257 54.840 -0.025 0.000 0.863 88 L CB -1.247 40.793 42.059 -0.033 0.000 0.985 88 L HN 0.703 nan 8.230 nan 0.000 0.451 89 G N -1.371 107.420 108.800 -0.016 0.000 2.211 89 G HA2 -0.140 3.821 3.960 0.001 0.000 0.201 89 G HA3 -0.140 3.821 3.960 0.001 0.000 0.201 89 G C 0.475 175.370 174.900 -0.008 0.000 0.997 89 G CA 0.056 45.149 45.100 -0.011 0.000 0.652 89 G HN 0.589 nan 8.290 nan 0.000 0.500 90 A N 0.060 122.874 122.820 -0.009 0.000 2.282 90 A HA 0.780 5.101 4.320 0.001 0.000 0.319 90 A C 0.039 177.623 177.584 -0.001 0.000 1.121 90 A CA -0.300 51.734 52.037 -0.004 0.000 0.836 90 A CB 0.730 19.727 19.000 -0.004 0.000 1.146 90 A HN 0.314 nan 8.150 nan 0.000 0.494 91 E N -0.005 120.198 120.200 0.006 0.000 2.197 91 E HA 0.529 4.879 4.350 0.001 0.000 0.281 91 E C -0.459 176.154 176.600 0.021 0.000 0.995 91 E CA -0.378 56.028 56.400 0.010 0.000 0.808 91 E CB 1.767 31.475 29.700 0.014 0.000 1.093 91 E HN 0.729 nan 8.360 nan 0.000 0.394 92 A N 3.414 126.245 122.820 0.019 0.000 2.401 92 A HA 0.486 4.807 4.320 0.001 0.000 0.310 92 A C -0.986 176.619 177.584 0.035 0.000 1.075 92 A CA -0.608 51.451 52.037 0.036 0.000 0.746 92 A CB 1.723 20.736 19.000 0.021 0.000 1.277 92 A HN 0.601 nan 8.150 nan 0.000 0.425 93 Q N 0.967 120.818 119.800 0.085 0.000 2.305 93 Q HA 0.585 4.926 4.340 0.001 0.000 0.271 93 Q C -1.305 174.739 176.000 0.073 0.000 1.046 93 Q CA -0.370 55.448 55.803 0.025 0.000 0.798 93 Q CB 1.868 30.644 28.738 0.064 0.000 1.286 93 Q HN 0.721 nan 8.270 nan 0.000 0.435 94 S N 3.230 118.861 115.700 -0.114 0.000 2.525 94 S HA 0.646 5.117 4.470 0.001 0.000 0.290 94 S C -1.037 173.431 174.600 -0.219 0.000 1.152 94 S CA -0.384 57.808 58.200 -0.014 0.000 1.072 94 S CB 0.527 63.712 63.200 -0.026 0.000 1.027 94 S HN 0.443 nan 8.310 nan 0.000 0.500 95 F N 0.599 120.549 119.950 -0.001 0.000 2.540 95 F HA 0.640 5.167 4.527 0.001 0.000 0.317 95 F C 0.623 176.422 175.800 -0.002 0.000 1.104 95 F CA -0.631 57.368 58.000 -0.002 0.000 0.913 95 F CB 2.429 41.428 39.000 -0.002 0.000 1.170 95 F HN 0.512 nan 8.300 nan 0.000 0.450 121 V N 1.831 121.541 119.914 -0.340 0.000 2.515 121 V HA -0.057 4.064 4.120 0.001 0.000 0.250 121 V C 2.326 178.256 176.094 -0.272 0.000 1.058 121 V CA 2.942 64.837 62.300 -0.676 0.000 1.064 121 V CB -0.243 31.058 31.823 -0.871 0.000 0.675 121 V HN 0.650 nan 8.190 nan 0.000 0.461 122 R N 0.343 120.747 120.500 -0.159 0.000 2.105 122 R HA -0.203 4.137 4.340 0.001 0.000 0.239 122 R C 2.180 178.458 176.300 -0.037 0.000 1.135 122 R CA 2.322 58.373 56.100 -0.081 0.000 0.967 122 R CB -0.542 29.724 30.300 -0.057 0.000 0.861 122 R HN 0.640 nan 8.270 nan 0.000 0.442 123 E N -0.193 119.999 120.200 -0.013 0.000 2.047 123 E HA -0.021 4.329 4.350 0.001 0.000 0.191 123 E C 1.775 178.401 176.600 0.044 0.000 0.987 123 E CA 1.546 57.959 56.400 0.022 0.000 0.799 123 E CB -0.281 29.443 29.700 0.040 0.000 0.752 123 E HN 0.439 nan 8.360 nan 0.000 0.449 124 A N 0.396 123.265 122.820 0.082 0.000 1.940 124 A HA -0.166 4.155 4.320 0.001 0.000 0.219 124 A C 2.051 179.674 177.584 0.065 0.000 1.176 124 A CA 1.232 53.342 52.037 0.122 0.000 0.631 124 A CB -0.704 18.473 19.000 0.295 0.000 0.814 124 A HN 0.312 nan 8.150 nan 0.000 0.446 125 L N 0.960 122.194 121.223 0.018 0.000 2.013 125 L HA -0.211 4.130 4.340 0.001 0.000 0.212 125 L C 1.697 178.574 176.870 0.011 0.000 1.073 125 L CA 2.664 57.505 54.840 0.002 0.000 0.753 125 L CB -0.994 41.047 42.059 -0.030 0.000 0.890 125 L HN 0.744 nan 8.230 nan 0.000 0.432 126 D N -2.766 117.640 120.400 0.010 0.000 2.328 126 D HA -0.055 4.585 4.640 0.001 0.000 0.221 126 D C 1.306 177.616 176.300 0.017 0.000 1.072 126 D CA 0.169 54.176 54.000 0.011 0.000 0.850 126 D CB -0.309 40.495 40.800 0.007 0.000 0.922 126 D HN 0.383 nan 8.370 nan 0.000 0.516 127 E N -0.052 120.163 120.200 0.025 0.000 2.489 127 E HA 0.197 4.548 4.350 0.001 0.000 0.193 127 E C 1.144 177.759 176.600 0.025 0.000 1.057 127 E CA 0.253 56.669 56.400 0.027 0.000 0.866 127 E CB 0.176 29.897 29.700 0.035 0.000 0.916 127 E HN 0.459 nan 8.360 nan 0.000 0.500 128 G N 1.823 110.637 108.800 0.024 0.000 2.176 128 G HA2 -0.252 3.708 3.960 0.001 0.000 0.232 128 G HA3 -0.252 3.708 3.960 0.001 0.000 0.232 128 G C 0.091 175.007 174.900 0.027 0.000 0.986 128 G CA -0.231 44.882 45.100 0.021 0.000 0.643 128 G HN 0.111 nan 8.290 nan 0.000 0.522 129 K N -0.004 120.420 120.400 0.040 0.000 2.144 129 K HA 0.633 4.954 4.320 0.001 0.000 0.270 129 K C 0.294 176.927 176.600 0.055 0.000 1.005 129 K CA -0.661 55.657 56.287 0.052 0.000 0.932 129 K CB 1.508 34.056 32.500 0.079 0.000 1.021 129 K HN 0.204 nan 8.250 nan 0.000 0.462 130 I N 1.841 122.444 120.570 0.054 0.000 2.395 130 I HA 0.066 4.236 4.170 0.001 0.000 0.289 130 I C -0.334 175.838 176.117 0.093 0.000 1.023 130 I CA -0.502 60.830 61.300 0.054 0.000 1.350 130 I CB 0.891 38.913 38.000 0.036 0.000 1.409 130 I HN 0.503 nan 8.210 nan 0.000 0.507 131 C N 7.471 126.823 119.300 0.086 0.000 2.271 131 C HA 0.490 4.950 4.460 0.001 0.000 0.323 131 C C 0.040 175.104 174.990 0.122 0.000 1.245 131 C CA -0.776 58.326 59.018 0.139 0.000 1.548 131 C CB -0.350 27.370 27.740 -0.032 0.000 2.214 131 C HN 0.385 nan 8.230 nan 0.000 0.477 132 I N 4.696 125.379 120.570 0.189 0.000 2.331 132 I HA 0.571 4.742 4.170 0.001 0.000 0.292 132 I C 0.151 176.383 176.117 0.192 0.000 0.998 132 I CA -0.280 61.104 61.300 0.141 0.000 1.267 132 I CB 0.947 39.006 38.000 0.098 0.000 1.386 132 I HN 0.438 nan 8.210 nan 0.000 0.476 133 V N 5.147 125.134 119.914 0.123 0.000 2.760 133 V HA 0.929 5.049 4.120 0.001 0.000 0.309 133 V C -0.248 175.891 176.094 0.075 0.000 1.077 133 V CA -0.384 61.990 62.300 0.123 0.000 0.910 133 V CB 1.756 33.626 31.823 0.080 0.000 1.008 133 V HN 0.952 nan 8.190 nan 0.000 0.424 153 G N 0.498 109.255 108.800 -0.072 0.000 2.621 153 G HA2 0.483 4.444 3.960 0.001 0.000 0.271 153 G HA3 0.483 4.444 3.960 0.001 0.000 0.271 153 G C 1.432 176.302 174.900 -0.049 0.000 1.236 153 G CA 0.594 45.665 45.100 -0.048 0.000 0.958 153 G HN 1.253 nan 8.290 nan 0.000 0.512 154 S N -0.730 114.955 115.700 -0.024 0.000 2.402 154 S HA -0.134 4.336 4.470 0.001 0.000 0.229 154 S C 1.571 176.155 174.600 -0.026 0.000 1.021 154 S CA 1.798 59.989 58.200 -0.014 0.000 0.974 154 S CB -0.276 62.932 63.200 0.012 0.000 0.800 154 S HN 0.499 nan 8.310 nan 0.000 0.484 155 D N 1.836 122.217 120.400 -0.033 0.000 2.104 155 D HA -0.045 4.596 4.640 0.001 0.000 0.194 155 D C 2.078 178.332 176.300 -0.077 0.000 0.994 155 D CA 1.910 55.886 54.000 -0.041 0.000 0.830 155 D CB -0.760 40.020 40.800 -0.034 0.000 0.959 155 D HN 0.467 nan 8.370 nan 0.000 0.452 156 T N -0.989 113.486 114.554 -0.131 0.000 2.821 156 T HA -0.150 4.201 4.350 0.001 0.000 0.267 156 T C 2.017 176.605 174.700 -0.188 0.000 1.046 156 T CA 1.660 63.616 62.100 -0.240 0.000 1.139 156 T CB -0.501 68.132 68.868 -0.391 0.000 0.871 156 T HN 0.253 nan 8.240 nan 0.000 0.454 157 T N 1.372 115.854 114.554 -0.120 0.000 2.821 157 T HA -0.008 4.343 4.350 0.001 0.000 0.267 157 T C 2.195 176.858 174.700 -0.062 0.000 1.046 157 T CA 1.458 63.509 62.100 -0.082 0.000 1.139 157 T CB -0.452 68.387 68.868 -0.048 0.000 0.871 157 T HN 0.329 nan 8.240 nan 0.000 0.454 158 A N 0.771 123.563 122.820 -0.048 0.000 1.858 158 A HA 0.042 4.363 4.320 0.001 0.000 0.216 158 A C 2.633 180.198 177.584 -0.032 0.000 1.190 158 A CA 1.974 53.993 52.037 -0.030 0.000 0.617 158 A CB -1.055 17.934 19.000 -0.018 0.000 0.827 158 A HN 0.470 nan 8.150 nan 0.000 0.443 159 V N -0.043 119.851 119.914 -0.034 0.000 2.427 159 V HA -0.202 3.919 4.120 0.001 0.000 0.248 159 V C 3.017 179.089 176.094 -0.036 0.000 1.051 159 V CA 1.719 64.014 62.300 -0.009 0.000 1.048 159 V CB -1.448 30.392 31.823 0.029 0.000 0.666 159 V HN 0.619 nan 8.190 nan 0.000 0.456 160 A N 0.218 122.998 122.820 -0.067 0.000 1.859 160 A HA -0.229 4.092 4.320 0.001 0.000 0.217 160 A C 2.250 179.761 177.584 -0.122 0.000 1.198 160 A CA 2.162 54.139 52.037 -0.101 0.000 0.629 160 A CB -0.732 18.214 19.000 -0.090 0.000 0.830 160 A HN 0.483 nan 8.150 nan 0.000 0.446 161 L N -1.001 120.170 121.223 -0.087 0.000 2.127 161 L HA -0.228 4.112 4.340 0.001 0.000 0.211 161 L C 3.002 179.828 176.870 -0.075 0.000 1.089 161 L CA 1.051 55.842 54.840 -0.082 0.000 0.757 161 L CB -0.391 41.628 42.059 -0.067 0.000 0.899 161 L HN 0.491 nan 8.230 nan 0.000 0.434 162 A N -0.593 122.193 122.820 -0.057 0.000 1.970 162 A HA -0.005 4.316 4.320 0.001 0.000 0.216 162 A C 2.470 180.033 177.584 -0.035 0.000 1.170 162 A CA 1.262 53.280 52.037 -0.031 0.000 0.645 162 A CB -0.423 18.575 19.000 -0.002 0.000 0.816 162 A HN 0.386 nan 8.150 nan 0.000 0.447 163 A N 0.149 122.918 122.820 -0.085 0.000 1.855 163 A HA 0.222 4.543 4.320 0.001 0.000 0.215 163 A C 2.518 180.040 177.584 -0.103 0.000 1.191 163 A CA 1.906 53.873 52.037 -0.118 0.000 0.613 163 A CB -1.111 17.629 19.000 -0.433 0.000 0.829 163 A HN 0.970 nan 8.150 nan 0.000 0.442 164 A N -0.231 122.503 122.820 -0.143 0.000 1.883 164 A HA -0.059 4.262 4.320 0.001 0.000 0.217 164 A C 2.041 179.590 177.584 -0.058 0.000 1.186 164 A CA 1.607 53.583 52.037 -0.100 0.000 0.624 164 A CB -0.666 18.270 19.000 -0.107 0.000 0.822 164 A HN 0.469 nan 8.150 nan 0.000 0.444 165 L N -1.090 120.098 121.223 -0.058 0.000 2.552 165 L HA 0.006 4.347 4.340 0.001 0.000 0.227 165 L C 0.768 177.625 176.870 -0.022 0.000 1.146 165 L CA 0.437 55.250 54.840 -0.044 0.000 0.858 165 L CB -0.625 41.401 42.059 -0.055 0.000 0.969 165 L HN 0.574 nan 8.230 nan 0.000 0.451 166 N N 0.771 119.464 118.700 -0.012 0.000 2.696 166 N HA -0.191 4.550 4.740 0.001 0.000 0.256 166 N C 0.018 175.535 175.510 0.011 0.000 1.031 166 N CA 0.603 53.659 53.050 0.010 0.000 0.730 166 N CB -0.479 38.018 38.487 0.017 0.000 0.894 166 N HN 0.390 nan 8.380 nan 0.000 0.544 167 A N 0.389 123.214 122.820 0.007 0.000 2.425 167 A HA 0.196 4.517 4.320 0.001 0.000 0.242 167 A C 1.140 178.739 177.584 0.024 0.000 1.077 167 A CA 0.348 52.391 52.037 0.011 0.000 0.781 167 A CB 0.329 19.333 19.000 0.007 0.000 1.020 167 A HN 0.481 nan 8.150 nan 0.000 0.494 168 D N -0.481 119.932 120.400 0.022 0.000 2.213 168 D HA 0.106 4.746 4.640 0.001 0.000 0.205 168 D C 0.251 176.568 176.300 0.028 0.000 0.961 168 D CA 1.396 55.411 54.000 0.025 0.000 0.853 168 D CB 0.048 40.858 40.800 0.018 0.000 0.967 168 D HN 0.275 nan 8.370 nan 0.000 0.496 169 V N -0.194 119.735 119.914 0.024 0.000 3.012 169 V HA 0.285 4.406 4.120 0.001 0.000 0.307 169 V C -0.800 175.306 176.094 0.020 0.000 1.166 169 V CA -1.236 61.077 62.300 0.021 0.000 0.974 169 V CB 2.555 34.382 31.823 0.007 0.000 1.040 169 V HN 0.054 nan 8.190 nan 0.000 0.428 170 C N 3.042 122.353 119.300 0.018 0.000 2.294 170 C HA 0.538 4.999 4.460 0.001 0.000 0.319 170 C C 0.148 175.122 174.990 -0.027 0.000 1.164 170 C CA -0.301 58.721 59.018 0.007 0.000 1.497 170 C CB -0.780 26.972 27.740 0.019 0.000 2.061 170 C HN 0.977 nan 8.230 nan 0.000 0.438 171 E N 4.390 124.565 120.200 -0.041 0.000 2.259 171 E HA 0.324 4.674 4.350 0.001 0.000 0.281 171 E C -0.797 175.698 176.600 -0.176 0.000 1.037 171 E CA -0.160 56.153 56.400 -0.146 0.000 0.854 171 E CB 1.201 30.833 29.700 -0.114 0.000 1.051 171 E HN 0.570 nan 8.360 nan 0.000 0.409 172 I N 3.608 124.028 120.570 -0.251 0.000 2.328 172 I HA 0.152 4.323 4.170 0.001 0.000 0.287 172 I C -0.816 175.136 176.117 -0.274 0.000 1.012 172 I CA -0.311 60.879 61.300 -0.183 0.000 1.195 172 I CB 0.237 38.179 38.000 -0.098 0.000 1.350 172 I HN 0.396 nan 8.210 nan 0.000 0.464 173 Y N 4.960 125.126 120.300 -0.222 0.000 2.342 173 Y HA 0.672 5.222 4.550 0.001 0.000 0.334 173 Y C 0.805 176.710 175.900 0.008 0.000 1.067 173 Y CA -0.019 57.997 58.100 -0.140 0.000 1.128 173 Y CB 1.725 40.003 38.460 -0.304 0.000 1.200 173 Y HN 0.685 nan 8.280 nan 0.000 0.464 174 S N -0.440 115.393 115.700 0.220 0.000 2.843 174 S HA 0.213 4.684 4.470 0.001 0.000 0.301 174 S C -0.188 174.598 174.600 0.309 0.000 1.206 174 S CA -0.452 57.887 58.200 0.231 0.000 0.875 174 S CB 0.817 64.097 63.200 0.133 0.000 1.248 174 S HN 0.557 nan 8.310 nan 0.000 0.555 175 D N 0.599 121.146 120.400 0.244 0.000 2.363 175 D HA 0.055 4.696 4.640 0.001 0.000 0.220 175 D C 1.077 177.428 176.300 0.085 0.000 0.994 175 D CA 0.604 54.687 54.000 0.138 0.000 0.890 175 D CB -0.686 40.059 40.800 -0.092 0.000 0.906 175 D HN 0.727 nan 8.370 nan 0.000 0.530 176 V N 0.088 120.064 119.914 0.105 0.000 2.465 176 V HA 0.360 4.481 4.120 0.001 0.000 0.279 176 V C 0.388 176.552 176.094 0.117 0.000 1.045 176 V CA -0.656 61.709 62.300 0.108 0.000 0.938 176 V CB 1.475 33.359 31.823 0.102 0.000 0.986 176 V HN -0.027 nan 8.190 nan 0.000 0.467 177 D N 2.998 123.486 120.400 0.147 0.000 2.328 177 D HA 0.444 5.085 4.640 0.001 0.000 0.226 177 D C 0.616 176.914 176.300 -0.003 0.000 1.066 177 D CA 0.838 54.896 54.000 0.096 0.000 0.861 177 D CB 0.425 41.300 40.800 0.125 0.000 0.912 177 D HN 1.198 nan 8.370 nan 0.000 0.521 178 G N -1.310 107.473 108.800 -0.029 0.000 2.321 178 G HA2 0.346 4.307 3.960 0.001 0.000 0.296 178 G HA3 0.346 4.307 3.960 0.001 0.000 0.296 178 G C -1.928 172.865 174.900 -0.178 0.000 1.287 178 G CA -0.328 44.656 45.100 -0.193 0.000 0.846 178 G HN 0.346 nan 8.290 nan 0.000 0.508 179 V N 0.577 120.351 119.914 -0.233 0.000 2.347 179 V HA 0.758 4.878 4.120 0.001 0.000 0.280 179 V C -0.970 174.997 176.094 -0.212 0.000 1.021 179 V CA -0.782 61.445 62.300 -0.122 0.000 0.847 179 V CB 0.172 31.956 31.823 -0.064 0.000 0.990 179 V HN 0.615 nan 8.190 nan 0.000 0.444 180 Y N 3.362 123.659 120.300 -0.006 0.000 2.374 180 Y HA 0.352 4.903 4.550 0.002 0.000 0.322 180 Y C 2.007 177.916 175.900 0.015 0.000 1.275 180 Y CA 0.340 58.441 58.100 0.001 0.000 1.307 180 Y CB 1.736 40.188 38.460 -0.013 0.000 1.282 180 Y HN 0.767 nan 8.280 nan 0.000 0.509 181 T N -1.408 113.280 114.554 0.223 0.000 2.962 181 T HA 0.361 4.712 4.350 0.001 0.000 0.270 181 T C 0.450 175.251 174.700 0.169 0.000 1.088 181 T CA 0.769 62.989 62.100 0.201 0.000 1.127 181 T CB -0.166 68.901 68.868 0.332 0.000 0.883 181 T HN 0.669 nan 8.240 nan 0.000 0.493 182 A N 0.458 123.330 122.820 0.085 0.000 2.586 182 A HA 0.492 4.813 4.320 0.001 0.000 0.290 182 A C -1.433 176.133 177.584 -0.029 0.000 1.086 182 A CA -0.785 51.249 52.037 -0.005 0.000 0.665 182 A CB 0.566 19.481 19.000 -0.141 0.000 1.279 182 A HN 0.139 nan 8.150 nan 0.000 0.423 183 D N 1.480 121.851 120.400 -0.049 0.000 2.451 183 D HA 0.080 4.720 4.640 0.001 0.000 0.254 183 D C -1.198 174.996 176.300 -0.177 0.000 1.204 183 D CA -0.767 53.178 54.000 -0.091 0.000 0.896 183 D CB 1.000 41.762 40.800 -0.064 0.000 1.136 183 D HN 0.173 nan 8.370 nan 0.000 0.499 184 P HA -0.118 nan 4.420 nan 0.000 0.222 184 P C 1.001 178.171 177.300 -0.216 0.000 1.147 184 P CA 0.566 63.467 63.100 -0.331 0.000 0.790 184 P CB 0.371 31.713 31.700 -0.596 0.000 0.780 185 R N -0.448 119.945 120.500 -0.178 0.000 2.090 185 R HA 0.032 4.372 4.340 0.001 0.000 0.228 185 R C 2.129 178.371 176.300 -0.096 0.000 1.110 185 R CA 0.909 56.936 56.100 -0.121 0.000 0.973 185 R CB -1.360 28.882 30.300 -0.097 0.000 0.869 185 R HN 0.287 nan 8.270 nan 0.000 0.440 186 I N -0.009 120.502 120.570 -0.098 0.000 2.731 186 I HA 0.027 4.198 4.170 0.001 0.000 0.260 186 I C 0.634 176.697 176.117 -0.091 0.000 1.138 186 I CA 0.435 61.689 61.300 -0.077 0.000 1.461 186 I CB -0.298 37.665 38.000 -0.062 0.000 1.128 186 I HN -0.265 nan 8.210 nan 0.000 0.438 187 V N 3.853 123.687 119.914 -0.134 0.000 2.275 187 V HA 0.215 4.336 4.120 0.001 0.000 0.272 187 V C -1.568 174.419 176.094 -0.179 0.000 1.028 187 V CA -0.916 61.278 62.300 -0.177 0.000 0.810 187 V CB 1.247 32.880 31.823 -0.316 0.000 1.043 187 V HN 0.039 nan 8.190 nan 0.000 0.453 188 P HA -0.112 nan 4.420 nan 0.000 0.220 188 P C 1.441 178.708 177.300 -0.056 0.000 1.148 188 P CA 0.999 64.050 63.100 -0.083 0.000 0.803 188 P CB 0.213 31.884 31.700 -0.048 0.000 0.782 189 N N 0.001 118.682 118.700 -0.031 0.000 2.494 189 N HA -0.028 4.713 4.740 0.001 0.000 0.182 189 N C 0.206 175.767 175.510 0.086 0.000 1.076 189 N CA -0.020 53.066 53.050 0.059 0.000 0.908 189 N CB -0.192 38.386 38.487 0.151 0.000 0.967 189 N HN -0.087 nan 8.380 nan 0.000 0.449 190 A N 1.770 124.502 122.820 -0.147 0.000 2.580 190 A HA -0.029 4.291 4.320 0.001 0.000 0.244 190 A C 0.312 177.981 177.584 0.143 0.000 1.045 190 A CA 0.205 52.158 52.037 -0.141 0.000 0.761 190 A CB -0.060 18.790 19.000 -0.250 0.000 0.962 190 A HN 0.515 nan 8.150 nan 0.000 0.512 191 Q N 2.319 122.287 119.800 0.281 0.000 2.301 191 Q HA 0.500 4.841 4.340 0.001 0.000 0.267 191 Q C -0.458 175.705 176.000 0.272 0.000 1.035 191 Q CA -1.074 54.907 55.803 0.297 0.000 0.856 191 Q CB 1.631 30.471 28.738 0.170 0.000 1.337 191 Q HN 0.641 nan 8.270 nan 0.000 0.450 192 K N 1.338 121.755 120.400 0.028 0.000 2.412 192 K HA 0.251 4.571 4.320 0.001 0.000 0.284 192 K C -0.288 176.173 176.600 -0.231 0.000 1.046 192 K CA -0.089 55.879 56.287 -0.532 0.000 0.999 192 K CB -0.018 32.167 32.500 -0.524 0.000 0.941 192 K HN 0.619 nan 8.250 nan 0.000 0.474 193 L N 3.243 124.332 121.223 -0.223 0.000 2.456 193 L HA 0.236 4.577 4.340 0.001 0.000 0.272 193 L C 1.440 178.229 176.870 -0.134 0.000 1.189 193 L CA 0.919 55.685 54.840 -0.124 0.000 0.846 193 L CB -0.469 41.531 42.059 -0.098 0.000 1.111 193 L HN 1.032 nan 8.230 nan 0.000 0.475 194 E N 1.629 121.773 120.200 -0.094 0.000 2.140 194 E HA 0.205 4.555 4.350 0.001 0.000 0.191 194 E C 1.096 177.640 176.600 -0.094 0.000 0.973 194 E CA 1.276 57.623 56.400 -0.088 0.000 0.829 194 E CB 0.180 29.842 29.700 -0.063 0.000 0.781 194 E HN 0.818 nan 8.360 nan 0.000 0.466 195 K N -0.850 119.495 120.400 -0.091 0.000 2.551 195 K HA 0.532 4.853 4.320 0.001 0.000 0.269 195 K C -2.035 174.503 176.600 -0.102 0.000 0.949 195 K CA -0.702 55.523 56.287 -0.103 0.000 0.849 195 K CB 1.790 34.233 32.500 -0.094 0.000 1.411 195 K HN 0.254 nan 8.250 nan 0.000 0.432 196 L N -1.029 120.118 121.223 -0.127 0.000 2.720 196 L HA 0.554 4.895 4.340 0.001 0.000 0.261 196 L C -0.442 176.326 176.870 -0.171 0.000 1.046 196 L CA -0.973 53.796 54.840 -0.118 0.000 0.886 196 L CB 0.463 42.470 42.059 -0.087 0.000 1.493 196 L HN 0.647 nan 8.230 nan 0.000 0.407 197 S N -0.775 114.843 115.700 -0.136 0.000 2.617 197 S HA 0.556 5.027 4.470 0.001 0.000 0.269 197 S C 0.960 175.486 174.600 -0.123 0.000 1.292 197 S CA -0.297 57.804 58.200 -0.163 0.000 1.010 197 S CB 0.302 63.465 63.200 -0.061 0.000 0.944 197 S HN 0.456 nan 8.310 nan 0.000 0.536 198 F N 1.669 121.611 119.950 -0.013 0.000 2.091 198 F HA -0.121 4.407 4.527 0.001 0.000 0.299 198 F C 2.675 178.471 175.800 -0.007 0.000 1.103 198 F CA 1.946 59.943 58.000 -0.006 0.000 1.228 198 F CB -0.712 38.288 39.000 -0.000 0.000 0.984 198 F HN 0.644 nan 8.300 nan 0.000 0.477 199 E N 0.536 120.846 120.200 0.183 0.000 2.077 199 E HA -0.207 4.143 4.350 0.001 0.000 0.193 199 E C 1.961 178.593 176.600 0.053 0.000 0.989 199 E CA 1.425 57.882 56.400 0.095 0.000 0.800 199 E CB -0.876 28.859 29.700 0.059 0.000 0.746 199 E HN 0.533 nan 8.360 nan 0.000 0.452 200 E N 0.592 120.809 120.200 0.029 0.000 2.058 200 E HA -0.198 4.153 4.350 0.001 0.000 0.194 200 E C 2.055 178.662 176.600 0.012 0.000 0.997 200 E CA 1.593 57.995 56.400 0.004 0.000 0.801 200 E CB -0.202 29.486 29.700 -0.020 0.000 0.746 200 E HN 0.080 nan 8.360 nan 0.000 0.450 201 M N 0.605 120.217 119.600 0.021 0.000 2.086 201 M HA -0.142 4.339 4.480 0.001 0.000 0.261 201 M C 1.983 178.312 176.300 0.047 0.000 1.067 201 M CA 1.179 56.496 55.300 0.029 0.000 1.116 201 M CB -0.263 32.359 32.600 0.037 0.000 1.348 201 M HN 0.092 nan 8.290 nan 0.000 0.407 202 L N 0.225 121.490 121.223 0.070 0.000 2.043 202 L HA -0.229 4.112 4.340 0.001 0.000 0.212 202 L C 2.307 179.199 176.870 0.037 0.000 1.075 202 L CA 2.139 57.016 54.840 0.061 0.000 0.752 202 L CB -1.161 40.938 42.059 0.068 0.000 0.891 202 L HN 0.425 nan 8.230 nan 0.000 0.432 203 E N -1.009 119.207 120.200 0.027 0.000 2.072 203 E HA -0.146 4.205 4.350 0.001 0.000 0.190 203 E C 2.274 178.883 176.600 0.015 0.000 0.982 203 E CA 0.975 57.383 56.400 0.014 0.000 0.803 203 E CB -0.223 29.479 29.700 0.004 0.000 0.755 203 E HN 0.444 nan 8.360 nan 0.000 0.453 204 L N -0.078 121.155 121.223 0.017 0.000 1.989 204 L HA -0.222 4.118 4.340 0.001 0.000 0.211 204 L C 2.459 179.344 176.870 0.025 0.000 1.071 204 L CA 1.457 56.310 54.840 0.021 0.000 0.749 204 L CB -0.591 41.481 42.059 0.021 0.000 0.890 204 L HN 0.208 nan 8.230 nan 0.000 0.431 205 A N -0.342 122.495 122.820 0.028 0.000 2.019 205 A HA -0.154 4.167 4.320 0.001 0.000 0.219 205 A C 2.420 180.020 177.584 0.027 0.000 1.164 205 A CA 1.621 53.676 52.037 0.029 0.000 0.644 205 A CB -0.670 18.349 19.000 0.033 0.000 0.805 205 A HN 0.446 nan 8.150 nan 0.000 0.449 206 A N -1.086 121.749 122.820 0.024 0.000 2.067 206 A HA 0.209 4.529 4.320 0.001 0.000 0.219 206 A C 1.377 178.973 177.584 0.020 0.000 1.158 206 A CA 1.652 53.702 52.037 0.020 0.000 0.661 206 A CB -0.131 18.878 19.000 0.015 0.000 0.801 206 A HN 0.626 nan 8.150 nan 0.000 0.452 207 V N -2.308 117.620 119.914 0.022 0.000 3.199 207 V HA 0.486 4.607 4.120 0.001 0.000 0.331 207 V C 1.075 177.187 176.094 0.029 0.000 1.446 207 V CA 0.452 62.766 62.300 0.024 0.000 1.120 207 V CB 0.013 31.848 31.823 0.019 0.000 1.051 207 V HN 0.671 nan 8.190 nan 0.000 0.495 208 G N -0.365 108.452 108.800 0.030 0.000 3.847 208 G HA2 -0.084 3.877 3.960 0.001 0.000 0.189 208 G HA3 -0.084 3.877 3.960 0.001 0.000 0.189 208 G C 0.340 175.258 174.900 0.031 0.000 0.907 208 G CA 0.457 45.576 45.100 0.031 0.000 0.893 208 G HN 0.250 nan 8.290 nan 0.000 0.379 209 S N 1.357 117.076 115.700 0.032 0.000 2.510 209 S HA 0.501 4.971 4.470 0.001 0.000 0.279 209 S C 1.152 175.770 174.600 0.030 0.000 1.284 209 S CA 1.145 59.365 58.200 0.033 0.000 1.059 209 S CB 1.160 64.380 63.200 0.033 0.000 0.901 209 S HN 1.006 nan 8.310 nan 0.000 0.491 210 K N 4.158 124.576 120.400 0.030 0.000 2.397 210 K HA 0.277 4.598 4.320 0.001 0.000 0.202 210 K C 1.158 177.775 176.600 0.028 0.000 1.022 210 K CA 0.065 56.369 56.287 0.028 0.000 1.141 210 K CB -0.371 32.146 32.500 0.027 0.000 0.857 210 K HN 0.713 nan 8.250 nan 0.000 0.514 211 I N 0.236 120.823 120.570 0.029 0.000 2.353 211 I HA 0.093 4.264 4.170 0.001 0.000 0.248 211 I C 0.053 176.181 176.117 0.019 0.000 1.119 211 I CA 0.485 61.801 61.300 0.026 0.000 1.417 211 I CB 0.203 38.218 38.000 0.026 0.000 1.078 211 I HN 0.202 nan 8.210 nan 0.000 0.421 212 L N -0.073 121.161 121.223 0.019 0.000 2.342 212 L HA 0.394 4.735 4.340 0.001 0.000 0.271 212 L C -0.232 176.648 176.870 0.018 0.000 1.008 212 L CA -0.891 53.959 54.840 0.017 0.000 0.818 212 L CB 1.301 43.374 42.059 0.022 0.000 1.296 212 L HN -0.424 nan 8.230 nan 0.000 0.427 213 V N 3.450 123.370 119.914 0.010 0.000 2.585 213 V HA 0.016 4.137 4.120 0.001 0.000 0.296 213 V C 1.779 177.880 176.094 0.012 0.000 1.035 213 V CA -0.022 62.281 62.300 0.005 0.000 1.084 213 V CB 1.041 32.856 31.823 -0.013 0.000 0.953 213 V HN 0.652 nan 8.190 nan 0.000 0.483 214 L N 3.655 124.890 121.223 0.020 0.000 2.013 214 L HA -0.211 4.130 4.340 0.001 0.000 0.212 214 L C 2.660 179.556 176.870 0.045 0.000 1.073 214 L CA 1.503 56.364 54.840 0.034 0.000 0.753 214 L CB -0.337 41.741 42.059 0.031 0.000 0.890 214 L HN 0.671 nan 8.230 nan 0.000 0.432 215 R N 0.319 120.836 120.500 0.028 0.000 2.091 215 R HA -0.161 4.180 4.340 0.001 0.000 0.238 215 R C 2.574 178.896 176.300 0.037 0.000 1.136 215 R CA 1.897 58.023 56.100 0.044 0.000 0.959 215 R CB -0.842 29.441 30.300 -0.028 0.000 0.856 215 R HN 0.548 nan 8.270 nan 0.000 0.437 216 S N -1.053 114.624 115.700 -0.038 0.000 2.419 216 S HA -0.084 4.387 4.470 0.001 0.000 0.233 216 S C 1.960 176.603 174.600 0.071 0.000 1.016 216 S CA 1.275 59.451 58.200 -0.040 0.000 0.974 216 S CB -0.454 62.714 63.200 -0.054 0.000 0.786 216 S HN 0.092 nan 8.310 nan 0.000 0.492 217 V N 1.673 121.638 119.914 0.085 0.000 2.488 217 V HA -0.014 4.107 4.120 0.001 0.000 0.246 217 V C 2.854 179.005 176.094 0.094 0.000 1.046 217 V CA 1.814 64.183 62.300 0.116 0.000 1.053 217 V CB -0.835 31.056 31.823 0.114 0.000 0.679 217 V HN 0.470 nan 8.190 nan 0.000 0.458 218 E N 0.097 120.364 120.200 0.112 0.000 2.106 218 E HA -0.196 4.155 4.350 0.001 0.000 0.192 218 E C 1.982 178.636 176.600 0.089 0.000 0.984 218 E CA 1.596 58.042 56.400 0.077 0.000 0.806 218 E CB -0.497 29.264 29.700 0.102 0.000 0.750 218 E HN 0.677 nan 8.360 nan 0.000 0.458 219 Y N 0.036 120.337 120.300 0.002 0.000 2.128 219 Y HA -0.235 4.316 4.550 0.002 0.000 0.284 219 Y C 2.379 178.303 175.900 0.041 0.000 1.154 219 Y CA 1.128 59.280 58.100 0.087 0.000 1.149 219 Y CB -0.416 38.083 38.460 0.066 0.000 0.976 219 Y HN 0.183 nan 8.280 nan 0.000 0.505 220 A N 0.311 123.190 122.820 0.099 0.000 1.908 220 A HA -0.261 4.060 4.320 0.001 0.000 0.218 220 A C 2.244 179.426 177.584 -0.670 0.000 1.181 220 A CA 1.928 53.925 52.037 -0.067 0.000 0.627 220 A CB -0.765 18.305 19.000 0.117 0.000 0.818 220 A HN 0.447 nan 8.150 nan 0.000 0.445 221 R N -0.384 119.546 120.500 -0.949 0.000 2.081 221 R HA -0.095 4.246 4.340 0.001 0.000 0.235 221 R C 2.281 178.203 176.300 -0.630 0.000 1.131 221 R CA 1.505 56.820 56.100 -1.308 0.000 0.960 221 R CB -0.414 29.531 30.300 -0.592 0.000 0.856 221 R HN 0.437 nan 8.270 nan 0.000 0.436 222 A N 0.284 122.878 122.820 -0.377 0.000 1.873 222 A HA -0.078 4.243 4.320 0.001 0.000 0.215 222 A C 1.313 178.605 177.584 -0.487 0.000 1.186 222 A CA 0.930 52.728 52.037 -0.398 0.000 0.616 222 A CB -0.337 18.411 19.000 -0.419 0.000 0.823 222 A HN 0.361 nan 8.150 nan 0.000 0.442 223 F N 0.402 120.225 119.950 -0.213 0.000 2.713 223 F HA 0.262 4.790 4.527 0.001 0.000 0.294 223 F C 0.808 176.546 175.800 -0.104 0.000 1.152 223 F CA -0.356 57.565 58.000 -0.132 0.000 1.385 223 F CB -0.899 38.049 39.000 -0.086 0.000 0.981 223 F HN 0.348 nan 8.300 nan 0.000 0.514 224 N N 1.342 120.005 118.700 -0.062 0.000 2.700 224 N HA -0.198 4.543 4.740 0.001 0.000 0.265 224 N C -0.986 174.616 175.510 0.153 0.000 0.975 224 N CA -0.198 52.864 53.050 0.021 0.000 0.800 224 N CB -0.302 38.224 38.487 0.065 0.000 0.908 224 N HN 0.023 nan 8.380 nan 0.000 0.551 225 V N 2.387 122.395 119.914 0.157 0.000 2.311 225 V HA 0.324 4.444 4.120 0.001 0.000 0.275 225 V C -1.898 174.414 176.094 0.363 0.000 1.022 225 V CA -1.272 61.152 62.300 0.207 0.000 0.830 225 V CB 1.507 33.412 31.823 0.137 0.000 1.012 225 V HN 0.210 nan 8.190 nan 0.000 0.452 226 P HA 0.247 nan 4.420 nan 0.000 0.268 226 P C -0.655 176.711 177.300 0.110 0.000 1.205 226 P CA 0.122 63.320 63.100 0.164 0.000 0.771 226 P CB 0.589 32.316 31.700 0.045 0.000 0.858 227 L N 2.604 123.869 121.223 0.070 0.000 2.313 227 L HA 0.682 5.023 4.340 0.001 0.000 0.268 227 L C 0.548 177.387 176.870 -0.051 0.000 1.010 227 L CA -0.957 53.897 54.840 0.022 0.000 0.814 227 L CB 1.690 43.780 42.059 0.052 0.000 1.304 227 L HN 0.271 nan 8.230 nan 0.000 0.441 228 R N 0.475 120.923 120.500 -0.086 0.000 2.514 228 R HA 0.529 4.870 4.340 0.001 0.000 0.296 228 R C -1.705 174.482 176.300 -0.187 0.000 1.012 228 R CA -0.532 55.488 56.100 -0.133 0.000 0.897 228 R CB 2.083 32.299 30.300 -0.139 0.000 1.184 228 R HN 0.435 nan 8.270 nan 0.000 0.440 229 V N 5.851 125.665 119.914 -0.167 0.000 2.389 229 V HA 0.413 4.534 4.120 0.001 0.000 0.264 229 V C 0.218 176.181 176.094 -0.218 0.000 1.049 229 V CA -0.109 62.085 62.300 -0.177 0.000 0.932 229 V CB 0.854 32.610 31.823 -0.112 0.000 1.011 229 V HN 0.708 nan 8.190 nan 0.000 0.475 230 R N 2.773 123.069 120.500 -0.339 0.000 2.888 230 R HA 0.649 4.990 4.340 0.001 0.000 0.266 230 R C -0.512 175.690 176.300 -0.162 0.000 1.020 230 R CA -0.653 55.246 56.100 -0.334 0.000 0.963 230 R CB 2.108 32.018 30.300 -0.651 0.000 1.197 230 R HN 0.594 nan 8.270 nan 0.000 0.481 231 S N -0.194 115.532 115.700 0.044 0.000 2.541 231 S HA 0.098 4.569 4.470 0.001 0.000 0.283 231 S C 0.867 175.712 174.600 0.409 0.000 1.196 231 S CA -0.598 57.744 58.200 0.237 0.000 1.062 231 S CB 1.135 64.479 63.200 0.239 0.000 1.009 231 S HN 0.676 nan 8.310 nan 0.000 0.502 232 S N 3.495 119.463 115.700 0.448 0.000 2.631 232 S HA 0.153 4.624 4.470 0.001 0.000 0.217 232 S C 0.416 174.945 174.600 -0.117 0.000 0.958 232 S CA -0.034 58.298 58.200 0.220 0.000 0.920 232 S CB -0.490 62.784 63.200 0.123 0.000 0.776 232 S HN 0.821 nan 8.310 nan 0.000 0.517 233 Y N 2.221 122.606 120.300 0.141 0.000 2.481 233 Y HA 0.387 4.937 4.550 0.001 0.000 0.247 233 Y C 1.056 177.005 175.900 0.080 0.000 1.151 233 Y CA -0.138 58.016 58.100 0.090 0.000 1.238 233 Y CB 0.608 39.113 38.460 0.075 0.000 1.179 233 Y HN 0.501 nan 8.280 nan 0.000 0.524 234 S N -1.596 114.229 115.700 0.208 0.000 2.615 234 S HA 0.311 4.781 4.470 0.001 0.000 0.269 234 S C -0.373 174.305 174.600 0.130 0.000 1.161 234 S CA -0.969 57.319 58.200 0.148 0.000 0.817 234 S CB 1.196 64.481 63.200 0.141 0.000 1.131 234 S HN 0.094 nan 8.310 nan 0.000 0.467 235 N N 0.897 119.655 118.700 0.097 0.000 2.280 235 N HA 0.080 4.821 4.740 0.001 0.000 0.192 235 N C -0.483 175.070 175.510 0.071 0.000 1.109 235 N CA 0.044 53.147 53.050 0.087 0.000 0.855 235 N CB -0.008 38.518 38.487 0.065 0.000 0.974 235 N HN 0.711 nan 8.380 nan 0.000 0.482 236 D N 2.402 122.842 120.400 0.066 0.000 2.493 236 D HA -0.017 4.624 4.640 0.001 0.000 0.240 236 D C -1.243 175.067 176.300 0.018 0.000 1.142 236 D CA -1.037 52.986 54.000 0.039 0.000 0.872 236 D CB 1.649 42.472 40.800 0.039 0.000 1.173 236 D HN 0.103 nan 8.370 nan 0.000 0.467 237 P HA 0.009 nan 4.420 nan 0.000 0.226 237 P C 0.884 178.144 177.300 -0.067 0.000 1.153 237 P CA 0.804 63.889 63.100 -0.026 0.000 0.777 237 P CB 0.137 31.824 31.700 -0.023 0.000 0.794 238 G N -0.241 108.514 108.800 -0.074 0.000 2.562 238 G HA2 -0.187 3.774 3.960 0.001 0.000 0.250 238 G HA3 -0.187 3.774 3.960 0.001 0.000 0.250 238 G C -0.597 174.224 174.900 -0.132 0.000 1.269 238 G CA -0.024 45.007 45.100 -0.116 0.000 0.919 238 G HN 0.291 nan 8.290 nan 0.000 0.574 239 T N 0.903 115.367 114.554 -0.150 0.000 2.771 239 T HA 0.528 4.879 4.350 0.001 0.000 0.281 239 T C 0.065 174.688 174.700 -0.128 0.000 0.982 239 T CA -0.262 61.752 62.100 -0.144 0.000 0.978 239 T CB 1.743 70.516 68.868 -0.158 0.000 0.930 239 T HN 0.875 nan 8.240 nan 0.000 0.447 240 L N 4.526 125.677 121.223 -0.120 0.000 2.331 240 L HA 0.613 4.954 4.340 0.001 0.000 0.278 240 L C -0.447 176.331 176.870 -0.154 0.000 1.106 240 L CA -0.489 54.276 54.840 -0.124 0.000 0.824 240 L CB 0.368 42.360 42.059 -0.112 0.000 1.142 240 L HN 0.719 nan 8.230 nan 0.000 0.443 241 I N 4.982 125.447 120.570 -0.174 0.000 2.382 241 I HA 0.691 4.862 4.170 0.001 0.000 0.286 241 I C -0.059 175.758 176.117 -0.500 0.000 1.002 241 I CA 0.377 61.508 61.300 -0.283 0.000 1.135 241 I CB 1.356 39.247 38.000 -0.181 0.000 1.288 241 I HN 0.778 nan 8.210 nan 0.000 0.448 242 A N 4.867 127.246 122.820 -0.734 0.000 1.626 242 A HA 0.420 4.741 4.320 0.001 0.000 0.201 242 A C 0.997 178.184 177.584 -0.663 0.000 1.920 242 A CA 0.453 52.083 52.037 -0.679 0.000 1.499 242 A CB -0.648 18.194 19.000 -0.263 0.000 1.498 242 A HN 0.732 nan 8.150 nan 0.000 0.333 243 G N 0.708 109.237 108.800 -0.453 0.000 2.441 243 G HA2 0.417 4.378 3.960 0.001 0.000 0.243 243 G HA3 0.417 4.378 3.960 0.001 0.000 0.243 243 G C 0.107 174.930 174.900 -0.127 0.000 1.281 243 G CA 0.800 45.770 45.100 -0.216 0.000 0.854 243 G HN 0.466 nan 8.290 nan 0.000 0.560 244 S N 1.325 117.084 115.700 0.097 0.000 2.562 244 S HA 0.228 4.698 4.470 0.001 0.000 0.275 244 S C 1.592 176.227 174.600 0.058 0.000 1.281 244 S CA -0.431 57.872 58.200 0.173 0.000 1.045 244 S CB 0.717 64.018 63.200 0.169 0.000 0.962 244 S HN 0.623 nan 8.310 nan 0.000 0.503 245 M N 3.865 123.494 119.600 0.048 0.000 2.492 245 M HA 0.040 4.521 4.480 0.001 0.000 0.262 245 M C 1.508 177.810 176.300 0.004 0.000 1.090 245 M CA 1.530 56.837 55.300 0.010 0.000 1.110 245 M CB -0.463 32.141 32.600 0.006 0.000 1.407 245 M HN 0.809 nan 8.290 nan 0.000 0.470 246 E N 0.374 120.580 120.200 0.011 0.000 2.274 246 E HA -0.180 4.171 4.350 0.001 0.000 0.194 246 E C 0.725 177.326 176.600 0.001 0.000 0.996 246 E CA 1.348 57.750 56.400 0.003 0.000 0.840 246 E CB -0.304 29.397 29.700 0.003 0.000 0.772 246 E HN 0.516 nan 8.360 nan 0.000 0.491 247 D N 1.745 122.148 120.400 0.004 0.000 2.289 247 D HA 0.027 4.668 4.640 0.001 0.000 0.207 247 D C 1.188 177.483 176.300 -0.009 0.000 0.966 247 D CA 0.374 54.374 54.000 0.000 0.000 0.868 247 D CB -0.188 40.617 40.800 0.007 0.000 0.943 247 D HN 0.461 nan 8.370 nan 0.000 0.514 248 I N 0.076 120.638 120.570 -0.014 0.000 2.556 248 I HA 0.246 4.416 4.170 0.001 0.000 0.284 248 I C -2.258 173.846 176.117 -0.021 0.000 1.114 248 I CA -1.630 59.656 61.300 -0.023 0.000 1.418 248 I CB 0.130 38.110 38.000 -0.034 0.000 1.394 248 I HN -0.341 nan 8.210 nan 0.000 0.552 249 P HA 0.126 nan 4.420 nan 0.000 0.267 249 P C 0.570 177.857 177.300 -0.022 0.000 1.200 249 P CA -0.113 62.977 63.100 -0.018 0.000 0.772 249 P CB 0.406 32.096 31.700 -0.017 0.000 0.855 254 V N 2.942 122.805 119.914 -0.085 0.000 3.158 254 V HA 0.711 4.832 4.120 0.001 0.000 0.311 254 V C -1.026 175.023 176.094 -0.074 0.000 1.181 254 V CA -1.012 61.240 62.300 -0.079 0.000 1.054 254 V CB 2.300 34.091 31.823 -0.054 0.000 1.085 254 V HN 0.821 nan 8.190 nan 0.000 0.446 255 L N 2.429 123.616 121.223 -0.059 0.000 2.257 255 L HA 0.421 4.762 4.340 0.001 0.000 0.290 255 L C 0.939 177.776 176.870 -0.056 0.000 1.044 255 L CA -0.151 54.642 54.840 -0.079 0.000 0.810 255 L CB 1.377 43.375 42.059 -0.102 0.000 1.193 255 L HN 0.765 nan 8.230 nan 0.000 0.425 256 T N 1.054 115.575 114.554 -0.055 0.000 2.904 256 T HA 0.266 4.617 4.350 0.001 0.000 0.243 256 T C 0.653 175.355 174.700 0.003 0.000 1.024 256 T CA 0.579 62.662 62.100 -0.028 0.000 1.158 256 T CB 0.469 69.317 68.868 -0.033 0.000 0.867 256 T HN 0.766 nan 8.240 nan 0.000 0.429 257 G N -0.142 108.662 108.800 0.007 0.000 2.550 257 G HA2 0.533 4.494 3.960 0.001 0.000 0.293 257 G HA3 0.533 4.494 3.960 0.001 0.000 0.293 257 G C -2.174 172.759 174.900 0.054 0.000 1.402 257 G CA -0.517 44.617 45.100 0.056 0.000 0.784 257 G HN 0.144 nan 8.290 nan 0.000 0.482 258 V N 0.322 120.290 119.914 0.089 0.000 2.531 258 V HA 0.771 4.892 4.120 0.001 0.000 0.301 258 V C 0.313 176.447 176.094 0.067 0.000 1.034 258 V CA -0.287 62.063 62.300 0.084 0.000 0.865 258 V CB 1.166 33.054 31.823 0.108 0.000 0.995 258 V HN 1.353 nan 8.190 nan 0.000 0.424 259 A N 3.091 125.948 122.820 0.063 0.000 2.337 259 A HA 0.907 5.228 4.320 0.001 0.000 0.331 259 A C -0.166 177.448 177.584 0.050 0.000 1.137 259 A CA -0.558 51.509 52.037 0.050 0.000 0.807 259 A CB 1.892 20.919 19.000 0.044 0.000 1.250 259 A HN 0.784 nan 8.150 nan 0.000 0.468 260 T N 0.146 114.722 114.554 0.038 0.000 2.848 260 T HA 0.556 4.907 4.350 0.001 0.000 0.285 260 T C -1.951 172.766 174.700 0.029 0.000 0.995 260 T CA -0.451 61.669 62.100 0.032 0.000 0.970 260 T CB 1.182 70.062 68.868 0.020 0.000 0.976 260 T HN 0.673 nan 8.240 nan 0.000 0.441 261 D N 2.501 122.919 120.400 0.029 0.000 2.788 261 D HA 0.574 5.215 4.640 0.001 0.000 0.247 261 D C 0.035 176.348 176.300 0.021 0.000 1.236 261 D CA -0.494 53.521 54.000 0.026 0.000 0.898 261 D CB 1.540 42.358 40.800 0.030 0.000 1.401 261 D HN 0.651 nan 8.370 nan 0.000 0.549 262 K N 0.896 121.306 120.400 0.018 0.000 2.506 262 K HA 0.234 4.555 4.320 0.001 0.000 0.204 262 K C 0.943 177.553 176.600 0.016 0.000 1.045 262 K CA 0.409 56.703 56.287 0.013 0.000 1.074 262 K CB -0.080 32.426 32.500 0.009 0.000 0.842 262 K HN 0.392 nan 8.250 nan 0.000 0.514 263 S N -0.720 114.994 115.700 0.023 0.000 2.568 263 S HA 0.249 4.720 4.470 0.001 0.000 0.232 263 S C -0.061 174.563 174.600 0.040 0.000 0.975 263 S CA -0.348 57.871 58.200 0.031 0.000 0.949 263 S CB -0.074 63.147 63.200 0.034 0.000 0.829 263 S HN 0.539 nan 8.310 nan 0.000 0.479 264 E N 0.257 120.475 120.200 0.029 0.000 2.369 264 E HA 0.737 5.088 4.350 0.001 0.000 0.270 264 E C -1.087 175.507 176.600 -0.010 0.000 0.909 264 E CA -1.066 55.354 56.400 0.033 0.000 0.775 264 E CB 2.313 32.036 29.700 0.039 0.000 1.270 264 E HN 0.312 nan 8.360 nan 0.000 0.445 265 A N 1.487 124.294 122.820 -0.021 0.000 2.311 265 A HA 0.512 4.833 4.320 0.001 0.000 0.334 265 A C -0.708 176.765 177.584 -0.185 0.000 1.139 265 A CA -0.615 51.314 52.037 -0.180 0.000 0.830 265 A CB 1.104 19.946 19.000 -0.263 0.000 1.234 265 A HN 0.474 nan 8.150 nan 0.000 0.483 266 K N 1.897 122.120 120.400 -0.294 0.000 2.334 266 K HA 0.523 4.843 4.320 0.001 0.000 0.265 266 K C -1.366 175.039 176.600 -0.324 0.000 1.039 266 K CA -0.309 55.828 56.287 -0.252 0.000 0.920 266 K CB 0.729 33.117 32.500 -0.185 0.000 1.160 266 K HN 0.428 nan 8.250 nan 0.000 0.451 267 V N 3.426 123.073 119.914 -0.446 0.000 2.509 267 V HA 0.300 4.420 4.120 0.001 0.000 0.284 267 V C -0.109 175.681 176.094 -0.506 0.000 1.047 267 V CA -0.316 61.663 62.300 -0.534 0.000 0.952 267 V CB 1.659 32.872 31.823 -1.016 0.000 0.988 267 V HN 0.806 nan 8.190 nan 0.000 0.469 268 T N 3.732 118.116 114.554 -0.283 0.000 2.881 268 T HA 0.440 4.791 4.350 0.001 0.000 0.291 268 T C -0.601 174.011 174.700 -0.147 0.000 0.990 268 T CA -0.371 61.614 62.100 -0.191 0.000 0.976 268 T CB 1.579 70.375 68.868 -0.120 0.000 0.970 268 T HN 0.319 nan 8.240 nan 0.000 0.438 269 V N 5.879 125.684 119.914 -0.181 0.000 2.364 269 V HA 0.507 4.628 4.120 0.001 0.000 0.272 269 V C 0.005 175.922 176.094 -0.294 0.000 1.036 269 V CA -0.742 61.377 62.300 -0.301 0.000 0.880 269 V CB 0.530 32.023 31.823 -0.551 0.000 0.991 269 V HN 0.676 nan 8.190 nan 0.000 0.460 270 L N 2.399 123.504 121.223 -0.198 0.000 2.346 270 L HA 0.979 5.320 4.340 0.001 0.000 0.274 270 L C 0.768 177.614 176.870 -0.039 0.000 1.007 270 L CA -0.754 54.026 54.840 -0.100 0.000 0.818 270 L CB 1.565 43.606 42.059 -0.030 0.000 1.284 270 L HN 0.759 nan 8.230 nan 0.000 0.424 271 G N 2.317 111.112 108.800 -0.008 0.000 2.204 271 G HA2 -0.195 3.766 3.960 0.001 0.000 0.244 271 G HA3 -0.195 3.766 3.960 0.001 0.000 0.244 271 G C -0.228 174.742 174.900 0.116 0.000 1.062 271 G CA -0.251 44.894 45.100 0.076 0.000 0.798 271 G HN 0.564 nan 8.290 nan 0.000 0.496 272 I N 1.649 122.211 120.570 -0.013 0.000 2.474 272 I HA 0.289 4.460 4.170 0.001 0.000 0.287 272 I C 1.326 177.489 176.117 0.076 0.000 1.048 272 I CA -0.092 61.211 61.300 0.005 0.000 1.383 272 I CB 1.258 39.145 38.000 -0.187 0.000 1.412 272 I HN 0.387 nan 8.210 nan 0.000 0.531 273 S N 2.949 118.730 115.700 0.135 0.000 2.510 273 S HA 0.033 4.504 4.470 0.001 0.000 0.279 273 S C -0.096 174.546 174.600 0.070 0.000 1.284 273 S CA -0.832 57.429 58.200 0.102 0.000 1.059 273 S CB 0.768 64.036 63.200 0.114 0.000 0.901 273 S HN 0.576 nan 8.310 nan 0.000 0.491 274 D N 2.603 123.036 120.400 0.054 0.000 2.545 274 D HA 0.395 5.036 4.640 0.001 0.000 0.227 274 D C 0.047 176.369 176.300 0.037 0.000 1.150 274 D CA 0.239 54.262 54.000 0.039 0.000 1.046 274 D CB -0.708 40.111 40.800 0.032 0.000 1.098 274 D HN 0.833 nan 8.370 nan 0.000 0.502 275 K N 2.201 122.626 120.400 0.043 0.000 2.523 275 K HA 0.561 4.882 4.320 0.001 0.000 0.257 275 K C -2.893 173.732 176.600 0.042 0.000 0.932 275 K CA -1.558 54.753 56.287 0.039 0.000 0.812 275 K CB 0.246 32.772 32.500 0.044 0.000 1.326 275 K HN 0.065 nan 8.250 nan 0.000 0.433 276 P HA 0.161 nan 4.420 nan 0.000 0.259 276 P C 1.087 178.414 177.300 0.044 0.000 1.163 276 P CA 2.331 65.451 63.100 0.034 0.000 0.760 276 P CB 0.545 32.261 31.700 0.025 0.000 0.762 277 G N 2.759 111.590 108.800 0.051 0.000 2.213 277 G HA2 -0.252 3.709 3.960 0.001 0.000 0.226 277 G HA3 -0.252 3.709 3.960 0.001 0.000 0.226 277 G C 1.137 176.085 174.900 0.081 0.000 0.992 277 G CA 0.327 45.464 45.100 0.060 0.000 0.632 277 G HN 0.496 nan 8.290 nan 0.000 0.511 278 E N 0.936 121.187 120.200 0.085 0.000 2.072 278 E HA 0.312 4.663 4.350 0.001 0.000 0.190 278 E C 2.800 179.453 176.600 0.088 0.000 0.982 278 E CA 2.193 58.659 56.400 0.109 0.000 0.803 278 E CB -0.564 29.198 29.700 0.104 0.000 0.755 278 E HN 0.860 nan 8.360 nan 0.000 0.453 279 A N 0.702 123.574 122.820 0.087 0.000 1.933 279 A HA -0.083 4.237 4.320 0.001 0.000 0.218 279 A C 2.381 180.098 177.584 0.222 0.000 1.175 279 A CA 1.933 54.059 52.037 0.149 0.000 0.628 279 A CB -0.928 18.209 19.000 0.227 0.000 0.814 279 A HN 0.330 nan 8.150 nan 0.000 0.444 280 A N 0.182 123.099 122.820 0.161 0.000 1.873 280 A HA -0.241 4.080 4.320 0.001 0.000 0.218 280 A C 2.105 179.764 177.584 0.126 0.000 1.193 280 A CA 2.084 54.207 52.037 0.144 0.000 0.629 280 A CB -0.548 18.507 19.000 0.091 0.000 0.826 280 A HN 0.554 nan 8.150 nan 0.000 0.447 281 K N -0.573 119.890 120.400 0.106 0.000 2.097 281 K HA -0.063 4.258 4.320 0.001 0.000 0.206 281 K C 1.775 178.428 176.600 0.089 0.000 1.049 281 K CA 1.351 57.700 56.287 0.104 0.000 0.933 281 K CB -0.366 32.214 32.500 0.134 0.000 0.717 281 K HN 0.307 nan 8.250 nan 0.000 0.442 282 V N 0.399 120.324 119.914 0.018 0.000 2.407 282 V HA -0.201 3.919 4.120 0.001 0.000 0.248 282 V C 1.579 177.431 176.094 -0.404 0.000 1.055 282 V CA 1.691 63.863 62.300 -0.213 0.000 1.049 282 V CB -0.405 31.094 31.823 -0.540 0.000 0.662 282 V HN 0.192 nan 8.190 nan 0.000 0.455 283 F N -1.540 118.396 119.950 -0.025 0.000 2.717 283 F HA 0.244 4.772 4.527 0.001 0.000 0.295 283 F C 2.315 178.085 175.800 -0.050 0.000 1.117 283 F CA 0.046 57.994 58.000 -0.087 0.000 1.361 283 F CB -0.234 38.699 39.000 -0.113 0.000 1.112 283 F HN -0.137 nan 8.300 nan 0.000 0.594 284 R N 0.890 121.466 120.500 0.126 0.000 2.066 284 R HA -0.049 4.292 4.340 0.001 0.000 0.232 284 R C 2.317 178.649 176.300 0.054 0.000 1.131 284 R CA 1.317 57.465 56.100 0.079 0.000 0.955 284 R CB -0.809 29.531 30.300 0.066 0.000 0.851 284 R HN 0.282 nan 8.270 nan 0.000 0.432 285 A N 1.148 123.995 122.820 0.045 0.000 1.865 285 A HA -0.161 4.160 4.320 0.001 0.000 0.217 285 A C 2.403 180.006 177.584 0.032 0.000 1.191 285 A CA 1.419 53.478 52.037 0.037 0.000 0.623 285 A CB -0.704 18.323 19.000 0.045 0.000 0.826 285 A HN 0.289 nan 8.150 nan 0.000 0.444 286 L N -1.008 120.226 121.223 0.017 0.000 2.141 286 L HA -0.144 4.197 4.340 0.001 0.000 0.209 286 L C 3.047 179.933 176.870 0.026 0.000 1.094 286 L CA 0.885 55.732 54.840 0.011 0.000 0.763 286 L CB -0.546 41.473 42.059 -0.066 0.000 0.908 286 L HN 0.447 nan 8.230 nan 0.000 0.437 287 A N -0.133 122.711 122.820 0.040 0.000 1.930 287 A HA -0.206 4.115 4.320 0.001 0.000 0.217 287 A C 1.911 179.512 177.584 0.028 0.000 1.175 287 A CA 1.772 53.830 52.037 0.033 0.000 0.627 287 A CB -0.414 18.609 19.000 0.039 0.000 0.815 287 A HN 0.321 nan 8.150 nan 0.000 0.443 288 D N 0.199 120.617 120.400 0.029 0.000 2.178 288 D HA -0.012 4.629 4.640 0.001 0.000 0.201 288 D C 1.668 177.982 176.300 0.024 0.000 0.980 288 D CA 1.409 55.424 54.000 0.025 0.000 0.842 288 D CB -0.269 40.545 40.800 0.024 0.000 0.948 288 D HN 0.412 nan 8.370 nan 0.000 0.472 289 A N -0.044 122.792 122.820 0.027 0.000 2.412 289 A HA 0.386 4.707 4.320 0.001 0.000 0.253 289 A C 1.078 178.680 177.584 0.030 0.000 1.334 289 A CA 1.192 53.246 52.037 0.028 0.000 0.929 289 A CB -1.088 17.932 19.000 0.032 0.000 0.983 289 A HN 0.210 nan 8.150 nan 0.000 0.508 290 E N -2.785 117.431 120.200 0.027 0.000 2.883 290 E HA -0.180 4.171 4.350 0.001 0.000 0.271 290 E C 0.546 177.167 176.600 0.035 0.000 1.049 290 E CA 1.422 57.838 56.400 0.027 0.000 0.817 290 E CB -2.917 26.798 29.700 0.025 0.000 1.407 290 E HN 2.174 nan 8.360 nan 0.000 0.434 291 I N 1.172 121.766 120.570 0.040 0.000 2.436 291 I HA 0.483 4.654 4.170 0.001 0.000 0.289 291 I C 0.543 176.690 176.117 0.049 0.000 1.083 291 I CA -0.078 61.257 61.300 0.057 0.000 1.372 291 I CB 0.502 38.546 38.000 0.072 0.000 1.408 291 I HN 0.422 nan 8.210 nan 0.000 0.516 292 N N 7.154 125.890 118.700 0.061 0.000 2.406 292 N HA 0.258 4.999 4.740 0.001 0.000 0.269 292 N C -0.139 175.414 175.510 0.072 0.000 1.210 292 N CA 0.288 53.370 53.050 0.054 0.000 0.966 292 N CB 0.921 39.441 38.487 0.056 0.000 1.293 292 N HN 0.855 nan 8.380 nan 0.000 0.491 293 I N -0.983 119.605 120.570 0.030 0.000 2.301 293 I HA 0.226 4.397 4.170 0.001 0.000 0.292 293 I C 0.743 176.876 176.117 0.027 0.000 1.046 293 I CA -0.586 60.729 61.300 0.025 0.000 1.282 293 I CB 1.056 38.981 38.000 -0.124 0.000 1.409 293 I HN 0.117 nan 8.210 nan 0.000 0.484 294 D N 6.252 126.708 120.400 0.093 0.000 2.113 294 D HA 0.009 4.650 4.640 0.001 0.000 0.206 294 D C 0.423 176.747 176.300 0.040 0.000 0.979 294 D CA 1.285 55.322 54.000 0.062 0.000 0.862 294 D CB 0.382 41.231 40.800 0.081 0.000 1.013 294 D HN 0.695 nan 8.370 nan 0.000 0.455 295 M N 1.166 120.819 119.600 0.088 0.000 2.327 295 M HA 0.413 4.894 4.480 0.001 0.000 0.298 295 M C -1.913 174.462 176.300 0.126 0.000 1.065 295 M CA -0.765 54.574 55.300 0.064 0.000 0.916 295 M CB 2.458 35.091 32.600 0.056 0.000 1.630 295 M HN -0.111 nan 8.290 nan 0.000 0.442 296 V N 6.370 126.327 119.914 0.072 0.000 2.604 296 V HA 0.685 4.806 4.120 0.001 0.000 0.305 296 V C -1.877 174.273 176.094 0.094 0.000 1.043 296 V CA -0.642 61.746 62.300 0.147 0.000 0.888 296 V CB 2.021 33.887 31.823 0.073 0.000 0.995 296 V HN 0.856 nan 8.190 nan 0.000 0.429 297 L N 6.356 127.653 121.223 0.123 0.000 2.381 297 L HA 0.680 5.021 4.340 0.001 0.000 0.274 297 L C -0.388 176.530 176.870 0.079 0.000 0.988 297 L CA -0.028 54.856 54.840 0.073 0.000 0.824 297 L CB 1.385 43.474 42.059 0.051 0.000 1.263 297 L HN 0.906 nan 8.230 nan 0.000 0.410 298 Q N 3.207 123.041 119.800 0.057 0.000 2.377 298 Q HA 0.522 4.863 4.340 0.001 0.000 0.279 298 Q C -1.760 174.261 176.000 0.035 0.000 1.049 298 Q CA -0.598 55.236 55.803 0.050 0.000 0.825 298 Q CB 3.068 31.840 28.738 0.057 0.000 1.401 298 Q HN 0.604 nan 8.270 nan 0.000 0.404 299 N N 1.830 120.556 118.700 0.042 0.000 2.542 299 N HA 0.396 5.136 4.740 0.001 0.000 0.288 299 N C -1.286 174.248 175.510 0.039 0.000 1.115 299 N CA -0.038 53.029 53.050 0.028 0.000 0.924 299 N CB 1.657 40.177 38.487 0.055 0.000 1.526 299 N HN 0.589 nan 8.380 nan 0.000 0.515 300 V N 2.034 121.919 119.914 -0.048 0.000 3.096 300 V HA 0.619 4.740 4.120 0.001 0.000 0.306 300 V C -0.247 175.757 176.094 -0.151 0.000 1.088 300 V CA 0.722 62.987 62.300 -0.058 0.000 1.129 300 V CB 0.092 31.859 31.823 -0.094 0.000 1.014 300 V HN 0.700 nan 8.190 nan 0.000 0.486 308 T N -0.028 114.558 114.554 0.053 0.000 2.742 308 T HA 0.713 5.064 4.350 0.001 0.000 0.282 308 T C -1.810 172.895 174.700 0.008 0.000 1.025 308 T CA -0.544 61.589 62.100 0.054 0.000 1.020 308 T CB 1.776 70.677 68.868 0.055 0.000 1.317 308 T HN 0.780 nan 8.240 nan 0.000 0.538 309 D N 0.616 121.018 120.400 0.004 0.000 2.490 309 D HA 0.593 5.234 4.640 0.001 0.000 0.232 309 D C -0.711 175.567 176.300 -0.036 0.000 1.053 309 D CA -0.284 53.689 54.000 -0.044 0.000 0.914 309 D CB 1.843 42.624 40.800 -0.031 0.000 1.431 309 D HN 0.501 nan 8.370 nan 0.000 0.483 310 I N 0.610 121.136 120.570 -0.073 0.000 2.582 310 I HA 0.277 4.447 4.170 0.001 0.000 0.292 310 I C -0.502 175.624 176.117 0.016 0.000 1.066 310 I CA -0.585 60.714 61.300 -0.001 0.000 1.053 310 I CB 2.316 40.317 38.000 0.002 0.000 1.241 310 I HN 0.177 nan 8.210 nan 0.000 0.421 311 T N 4.496 119.097 114.554 0.079 0.000 2.841 311 T HA 0.764 5.114 4.350 0.001 0.000 0.283 311 T C -0.653 174.158 174.700 0.186 0.000 1.000 311 T CA -0.645 61.476 62.100 0.034 0.000 0.977 311 T CB 1.657 70.529 68.868 0.006 0.000 0.979 311 T HN 0.451 nan 8.240 nan 0.000 0.446 312 F N -1.250 118.739 119.950 0.065 0.000 2.685 312 F HA 0.855 5.382 4.527 0.001 0.000 0.315 312 F C -1.106 174.737 175.800 0.071 0.000 1.126 312 F CA -1.040 57.021 58.000 0.102 0.000 0.950 312 F CB 1.250 40.384 39.000 0.224 0.000 1.360 312 F HN 0.468 nan 8.300 nan 0.000 0.469 313 T N 1.545 116.345 114.554 0.411 0.000 2.863 313 T HA 0.682 5.033 4.350 0.001 0.000 0.285 313 T C -1.162 173.750 174.700 0.353 0.000 1.009 313 T CA -0.332 61.906 62.100 0.229 0.000 0.989 313 T CB 1.108 70.048 68.868 0.121 0.000 1.004 313 T HN 1.120 nan 8.240 nan 0.000 0.455 314 C N 2.490 121.943 119.300 0.256 0.000 3.288 314 C HA 0.817 5.278 4.460 0.001 0.000 0.318 314 C C -3.098 171.991 174.990 0.165 0.000 1.356 314 C CA -2.603 56.562 59.018 0.245 0.000 1.359 314 C CB 0.868 28.821 27.740 0.356 0.000 1.688 314 C HN 0.523 nan 8.230 nan 0.000 0.467 315 P HA 0.194 nan 4.420 nan 0.000 0.265 315 P C 0.546 177.930 177.300 0.140 0.000 1.187 315 P CA 0.381 63.549 63.100 0.112 0.000 0.766 315 P CB 0.400 32.154 31.700 0.092 0.000 0.820 316 R N 1.424 122.001 120.500 0.129 0.000 2.152 316 R HA -0.093 4.248 4.340 0.001 0.000 0.232 316 R C 2.048 178.430 176.300 0.137 0.000 1.117 316 R CA 1.523 57.728 56.100 0.175 0.000 0.981 316 R CB -0.575 29.807 30.300 0.137 0.000 0.870 316 R HN 0.506 nan 8.270 nan 0.000 0.451 317 S N 1.229 116.985 115.700 0.094 0.000 2.374 317 S HA -0.147 4.324 4.470 0.001 0.000 0.227 317 S C 0.992 175.629 174.600 0.062 0.000 1.037 317 S CA 1.525 59.764 58.200 0.066 0.000 1.024 317 S CB -0.144 63.089 63.200 0.055 0.000 0.861 317 S HN 0.323 nan 8.310 nan 0.000 0.456 318 D N 0.452 120.902 120.400 0.085 0.000 2.339 318 D HA 0.206 4.847 4.640 0.001 0.000 0.217 318 D C 1.805 178.160 176.300 0.091 0.000 1.050 318 D CA 0.349 54.398 54.000 0.082 0.000 0.856 318 D CB -0.352 40.507 40.800 0.099 0.000 0.922 318 D HN 0.445 nan 8.370 nan 0.000 0.518 319 G N 0.778 109.641 108.800 0.105 0.000 2.394 319 G HA2 -0.247 3.714 3.960 0.001 0.000 0.215 319 G HA3 -0.247 3.714 3.960 0.001 0.000 0.215 319 G C 1.644 176.380 174.900 -0.273 0.000 1.165 319 G CA 0.087 45.240 45.100 0.090 0.000 0.784 319 G HN 0.172 nan 8.290 nan 0.000 0.535 320 R N 0.592 120.933 120.500 -0.264 0.000 2.075 320 R HA -0.062 4.279 4.340 0.001 0.000 0.232 320 R C 2.997 179.218 176.300 -0.132 0.000 1.126 320 R CA 1.668 57.607 56.100 -0.268 0.000 0.963 320 R CB -0.292 29.907 30.300 -0.167 0.000 0.858 320 R HN 0.324 nan 8.270 nan 0.000 0.435 321 R N 0.320 120.785 120.500 -0.058 0.000 2.115 321 R HA 0.043 4.384 4.340 0.001 0.000 0.230 321 R C 2.139 178.445 176.300 0.011 0.000 1.111 321 R CA 1.519 57.610 56.100 -0.015 0.000 0.976 321 R CB -1.170 29.134 30.300 0.007 0.000 0.870 321 R HN 0.497 nan 8.270 nan 0.000 0.445 322 A N -0.324 122.516 122.820 0.033 0.000 2.067 322 A HA 0.166 4.487 4.320 0.001 0.000 0.217 322 A C 2.238 179.881 177.584 0.099 0.000 1.156 322 A CA 1.265 53.362 52.037 0.101 0.000 0.683 322 A CB -0.065 19.052 19.000 0.196 0.000 0.808 322 A HN 0.427 nan 8.150 nan 0.000 0.455 323 M N -0.763 118.852 119.600 0.024 0.000 2.334 323 M HA -0.006 4.474 4.480 0.001 0.000 0.266 323 M C 2.386 178.703 176.300 0.029 0.000 1.082 323 M CA 1.546 56.861 55.300 0.026 0.000 1.141 323 M CB -1.160 31.404 32.600 -0.060 0.000 1.380 323 M HN 0.639 nan 8.290 nan 0.000 0.440 324 E N 1.021 121.224 120.200 0.005 0.000 2.072 324 E HA -0.112 4.239 4.350 0.001 0.000 0.190 324 E C 1.853 178.466 176.600 0.023 0.000 0.982 324 E CA 1.234 57.638 56.400 0.007 0.000 0.803 324 E CB -0.828 28.867 29.700 -0.008 0.000 0.755 324 E HN 0.418 nan 8.360 nan 0.000 0.453 325 I N -0.145 120.446 120.570 0.034 0.000 2.208 325 I HA -0.162 4.009 4.170 0.001 0.000 0.245 325 I C 2.270 178.426 176.117 0.066 0.000 1.097 325 I CA 1.601 62.927 61.300 0.043 0.000 1.363 325 I CB -0.423 37.606 38.000 0.049 0.000 1.051 325 I HN 0.338 nan 8.210 nan 0.000 0.413 326 L N 1.760 123.043 121.223 0.101 0.000 2.395 326 L HA -0.048 4.293 4.340 0.001 0.000 0.218 326 L C 2.776 179.737 176.870 0.152 0.000 1.130 326 L CA 1.816 56.755 54.840 0.164 0.000 0.826 326 L CB -1.068 41.115 42.059 0.206 0.000 0.941 326 L HN 0.305 nan 8.230 nan 0.000 0.451 327 K N -0.072 120.379 120.400 0.085 0.000 2.062 327 K HA -0.085 4.236 4.320 0.001 0.000 0.205 327 K C 2.347 178.947 176.600 0.000 0.000 1.051 327 K CA 1.726 58.044 56.287 0.051 0.000 0.941 327 K CB -1.292 31.225 32.500 0.028 0.000 0.719 327 K HN 0.412 nan 8.250 nan 0.000 0.440 328 K N 0.594 120.989 120.400 -0.009 0.000 2.063 328 K HA 0.059 4.380 4.320 0.001 0.000 0.208 328 K C 2.245 178.784 176.600 -0.102 0.000 1.048 328 K CA 1.644 57.904 56.287 -0.045 0.000 0.928 328 K CB -0.842 31.642 32.500 -0.027 0.000 0.713 328 K HN 0.259 nan 8.250 nan 0.000 0.442 329 L N 1.229 122.400 121.223 -0.086 0.000 2.353 329 L HA -0.086 4.255 4.340 0.001 0.000 0.220 329 L C 2.787 179.286 176.870 -0.619 0.000 1.133 329 L CA 1.713 56.428 54.840 -0.210 0.000 0.798 329 L CB -0.559 41.511 42.059 0.019 0.000 0.922 329 L HN 0.610 nan 8.230 nan 0.000 0.445 330 Q N 0.156 119.660 119.800 -0.494 0.000 2.135 330 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 330 Q C 0.879 176.482 176.000 -0.662 0.000 0.981 330 Q CA 1.188 56.531 55.803 -0.766 0.000 0.856 330 Q CB 0.044 28.639 28.738 -0.239 0.000 0.902 330 Q HN 0.435 nan 8.270 nan 0.000 0.425 331 V N 1.266 120.949 119.914 -0.385 0.000 2.220 331 V HA 0.045 4.166 4.120 0.001 0.000 0.236 331 V C -0.074 175.847 176.094 -0.287 0.000 1.314 331 V CA -0.344 61.797 62.300 -0.264 0.000 1.349 331 V CB -0.633 31.093 31.823 -0.162 0.000 1.428 331 V HN 0.157 nan 8.190 nan 0.000 0.495 336 T N 0.418 115.170 114.554 0.330 0.000 2.643 336 T HA -0.049 4.301 4.350 0.001 0.000 0.264 336 T C 0.255 175.063 174.700 0.181 0.000 1.045 336 T CA 2.043 64.252 62.100 0.181 0.000 1.155 336 T CB -0.436 68.504 68.868 0.120 0.000 0.863 336 T HN 0.505 nan 8.240 nan 0.000 0.420 337 N N -0.588 118.252 118.700 0.233 0.000 3.127 337 N HA 0.404 5.145 4.740 0.001 0.000 0.239 337 N C -2.126 173.496 175.510 0.186 0.000 1.407 337 N CA -0.599 52.560 53.050 0.181 0.000 0.891 337 N CB 1.759 40.303 38.487 0.096 0.000 1.447 337 N HN 0.136 nan 8.380 nan 0.000 0.507 338 V N -0.568 119.437 119.914 0.152 0.000 2.789 338 V HA 0.745 4.866 4.120 0.001 0.000 0.311 338 V C -0.797 175.337 176.094 0.066 0.000 1.073 338 V CA -0.762 61.598 62.300 0.101 0.000 0.921 338 V CB 1.539 33.461 31.823 0.164 0.000 1.009 338 V HN 0.518 nan 8.190 nan 0.000 0.426 339 L N 4.004 125.241 121.223 0.023 0.000 2.342 339 L HA 0.645 4.986 4.340 0.001 0.000 0.271 339 L C -1.289 175.613 176.870 0.053 0.000 1.008 339 L CA -0.743 54.114 54.840 0.029 0.000 0.818 339 L CB 2.209 44.260 42.059 -0.014 0.000 1.296 339 L HN 0.838 nan 8.230 nan 0.000 0.427 340 Y N 1.578 121.846 120.300 -0.052 0.000 2.350 340 Y HA 0.418 4.969 4.550 0.001 0.000 0.338 340 Y C -1.133 174.739 175.900 -0.046 0.000 0.961 340 Y CA -0.878 57.187 58.100 -0.060 0.000 1.100 340 Y CB 1.611 40.053 38.460 -0.031 0.000 1.179 340 Y HN 0.531 nan 8.280 nan 0.000 0.454 341 D N 5.226 125.252 120.400 -0.624 0.000 2.375 341 D HA 0.167 4.808 4.640 0.001 0.000 0.259 341 D C -0.909 175.017 176.300 -0.622 0.000 1.235 341 D CA -0.538 53.184 54.000 -0.462 0.000 0.924 341 D CB 0.373 41.030 40.800 -0.238 0.000 1.143 341 D HN 0.642 nan 8.370 nan 0.000 0.529 342 D N 1.582 121.557 120.400 -0.708 0.000 2.346 342 D HA 0.080 4.721 4.640 0.001 0.000 0.249 342 D C 0.315 176.512 176.300 -0.171 0.000 1.308 342 D CA 0.068 53.859 54.000 -0.348 0.000 0.987 342 D CB 0.144 40.889 40.800 -0.092 0.000 1.114 342 D HN 0.449 nan 8.370 nan 0.000 0.529 343 Q N -3.221 116.529 119.800 -0.085 0.000 2.460 343 Q HA -0.139 4.202 4.340 0.001 0.000 0.248 343 Q C -0.820 175.144 176.000 -0.059 0.000 0.847 343 Q CA 0.507 56.278 55.803 -0.054 0.000 1.214 343 Q CB -2.065 26.646 28.738 -0.044 0.000 1.523 343 Q HN 0.337 nan 8.270 nan 0.000 0.602 344 V N 0.638 120.506 119.914 -0.077 0.000 2.432 344 V HA 0.642 4.762 4.120 0.001 0.000 0.275 344 V C 0.955 177.031 176.094 -0.029 0.000 1.043 344 V CA 0.114 62.379 62.300 -0.059 0.000 0.925 344 V CB 1.532 33.306 31.823 -0.081 0.000 0.985 344 V HN 0.255 nan 8.190 nan 0.000 0.466 345 G N 3.473 112.266 108.800 -0.011 0.000 2.388 345 G HA2 0.556 4.517 3.960 0.001 0.000 0.330 345 G HA3 0.556 4.517 3.960 0.001 0.000 0.330 345 G C -0.810 174.101 174.900 0.018 0.000 1.142 345 G CA -0.627 44.476 45.100 0.005 0.000 0.908 345 G HN 0.606 nan 8.290 nan 0.000 0.473 346 K N 1.257 121.673 120.400 0.027 0.000 2.206 346 K HA 0.576 4.897 4.320 0.001 0.000 0.264 346 K C -1.331 175.305 176.600 0.059 0.000 0.967 346 K CA -0.596 55.716 56.287 0.041 0.000 0.844 346 K CB 2.077 34.597 32.500 0.035 0.000 1.099 346 K HN 0.302 nan 8.250 nan 0.000 0.441 347 V N 2.777 122.747 119.914 0.094 0.000 2.656 347 V HA 0.583 4.704 4.120 0.001 0.000 0.307 347 V C -1.362 174.852 176.094 0.199 0.000 1.051 347 V CA -0.213 62.162 62.300 0.125 0.000 0.893 347 V CB 2.198 34.091 31.823 0.116 0.000 0.999 347 V HN 0.870 nan 8.190 nan 0.000 0.426 348 S N 5.496 121.304 115.700 0.179 0.000 2.564 348 S HA 0.772 5.243 4.470 0.001 0.000 0.274 348 S C -1.341 173.373 174.600 0.189 0.000 1.124 348 S CA -0.493 57.808 58.200 0.170 0.000 0.869 348 S CB 1.845 65.085 63.200 0.067 0.000 1.105 348 S HN 0.855 nan 8.310 nan 0.000 0.472 349 L N 2.935 124.261 121.223 0.172 0.000 2.365 349 L HA 0.901 5.241 4.340 0.001 0.000 0.273 349 L C -1.075 175.780 176.870 -0.026 0.000 1.000 349 L CA -0.595 54.286 54.840 0.069 0.000 0.819 349 L CB 1.770 43.876 42.059 0.078 0.000 1.284 349 L HN 0.577 nan 8.230 nan 0.000 0.418 350 V N 1.487 121.374 119.914 -0.044 0.000 2.789 350 V HA 1.091 5.212 4.120 0.001 0.000 0.311 350 V C -0.576 175.479 176.094 -0.066 0.000 1.073 350 V CA 0.313 62.584 62.300 -0.049 0.000 0.921 350 V CB 1.458 33.267 31.823 -0.023 0.000 1.009 350 V HN 1.151 nan 8.190 nan 0.000 0.426 351 G N 2.252 111.012 108.800 -0.066 0.000 2.657 351 G HA2 0.665 4.626 3.960 0.001 0.000 0.303 351 G HA3 0.665 4.626 3.960 0.001 0.000 0.303 351 G C 0.220 175.085 174.900 -0.059 0.000 1.457 351 G CA 0.069 45.128 45.100 -0.069 0.000 0.982 351 G HN 1.627 nan 8.290 nan 0.000 0.583 352 A N 0.812 123.600 122.820 -0.052 0.000 2.024 352 A HA 0.190 4.510 4.320 0.001 0.000 0.220 352 A C 2.534 180.082 177.584 -0.060 0.000 1.164 352 A CA 2.647 54.657 52.037 -0.046 0.000 0.643 352 A CB -0.481 18.494 19.000 -0.042 0.000 0.806 352 A HN 1.746 nan 8.150 nan 0.000 0.451 353 G N 0.066 108.812 108.800 -0.089 0.000 2.625 353 G HA2 -0.053 3.908 3.960 0.001 0.000 0.214 353 G HA3 -0.053 3.908 3.960 0.001 0.000 0.214 353 G C 1.329 176.155 174.900 -0.123 0.000 1.132 353 G CA 0.976 45.985 45.100 -0.151 0.000 0.782 353 G HN 0.787 nan 8.290 nan 0.000 0.538 354 M N -0.905 118.671 119.600 -0.041 0.000 2.431 354 M HA 0.467 4.948 4.480 0.001 0.000 0.237 354 M C 1.780 178.105 176.300 0.041 0.000 1.130 354 M CA 0.419 55.739 55.300 0.033 0.000 1.002 354 M CB 0.345 32.951 32.600 0.009 0.000 1.524 354 M HN 0.035 nan 8.290 nan 0.000 0.482 355 K N 1.432 121.842 120.400 0.017 0.000 2.007 355 K HA 0.055 4.376 4.320 0.001 0.000 0.206 355 K C 0.434 177.058 176.600 0.041 0.000 1.047 355 K CA 1.488 57.785 56.287 0.018 0.000 0.937 355 K CB 0.196 32.697 32.500 0.002 0.000 0.718 355 K HN 0.388 nan 8.250 nan 0.000 0.438 356 S N 0.243 115.981 115.700 0.063 0.000 2.581 356 S HA 0.153 4.624 4.470 0.001 0.000 0.245 356 S C -1.012 173.686 174.600 0.163 0.000 1.115 356 S CA -0.552 57.697 58.200 0.082 0.000 1.093 356 S CB 0.152 63.388 63.200 0.059 0.000 0.853 356 S HN 0.291 nan 8.310 nan 0.000 0.479 357 H N 1.394 120.473 119.070 0.015 0.000 3.092 357 H HA 0.204 4.761 4.556 0.001 0.000 0.308 357 H C -2.263 173.085 175.328 0.034 0.000 1.047 357 H CA -1.692 54.371 56.048 0.026 0.000 1.466 357 H CB 1.715 31.498 29.762 0.035 0.000 1.597 357 H HN 0.043 nan 8.280 nan 0.000 0.512 358 P HA -0.137 nan 4.420 nan 0.000 0.216 358 P C 1.562 178.847 177.300 -0.025 0.000 1.154 358 P CA 1.423 64.495 63.100 -0.046 0.000 0.865 358 P CB 0.147 31.802 31.700 -0.076 0.000 0.789 359 G N -1.106 107.654 108.800 -0.068 0.000 2.572 359 G HA2 -0.090 3.871 3.960 0.001 0.000 0.216 359 G HA3 -0.090 3.871 3.960 0.001 0.000 0.216 359 G C 1.507 176.478 174.900 0.118 0.000 1.133 359 G CA 0.176 45.280 45.100 0.007 0.000 0.791 359 G HN 0.154 nan 8.290 nan 0.000 0.538 360 V N 0.948 120.971 119.914 0.182 0.000 2.261 360 V HA -0.209 3.912 4.120 0.001 0.000 0.246 360 V C 3.112 179.395 176.094 0.315 0.000 1.047 360 V CA 2.424 64.910 62.300 0.310 0.000 1.015 360 V CB -0.860 31.107 31.823 0.240 0.000 0.642 360 V HN 0.521 nan 8.190 nan 0.000 0.446 361 T N -0.122 114.538 114.554 0.177 0.000 2.708 361 T HA -0.182 4.168 4.350 0.001 0.000 0.266 361 T C 1.957 176.780 174.700 0.206 0.000 1.037 361 T CA 2.001 64.191 62.100 0.150 0.000 1.146 361 T CB -0.339 68.544 68.868 0.026 0.000 0.865 361 T HN 0.507 nan 8.240 nan 0.000 0.435 362 A N 1.341 124.247 122.820 0.144 0.000 1.884 362 A HA -0.210 4.111 4.320 0.001 0.000 0.219 362 A C 2.219 179.888 177.584 0.142 0.000 1.197 362 A CA 2.366 54.473 52.037 0.117 0.000 0.637 362 A CB -1.030 18.009 19.000 0.066 0.000 0.827 362 A HN 0.776 nan 8.150 nan 0.000 0.450 363 E N -1.766 118.532 120.200 0.164 0.000 2.106 363 E HA -0.137 4.214 4.350 0.001 0.000 0.192 363 E C 1.761 178.466 176.600 0.175 0.000 0.984 363 E CA 1.063 57.509 56.400 0.076 0.000 0.806 363 E CB -0.254 29.421 29.700 -0.041 0.000 0.750 363 E HN 0.715 nan 8.360 nan 0.000 0.458 364 F N 1.024 121.167 119.950 0.321 0.000 2.046 364 F HA -0.310 4.217 4.527 0.001 0.000 0.297 364 F C 2.321 178.212 175.800 0.153 0.000 1.123 364 F CA 1.489 59.689 58.000 0.332 0.000 1.199 364 F CB -0.094 39.051 39.000 0.241 0.000 0.972 364 F HN -0.046 nan 8.300 nan 0.000 0.474 365 M N 0.896 120.773 119.600 0.463 0.000 2.151 365 M HA -0.325 4.156 4.480 0.001 0.000 0.256 365 M C 2.005 178.370 176.300 0.109 0.000 1.072 365 M CA 2.242 57.701 55.300 0.264 0.000 1.090 365 M CB -0.778 31.933 32.600 0.184 0.000 1.294 365 M HN 0.223 nan 8.290 nan 0.000 0.415 366 E N -1.047 119.192 120.200 0.066 0.000 2.204 366 E HA -0.136 4.215 4.350 0.001 0.000 0.195 366 E C 1.925 178.503 176.600 -0.037 0.000 0.990 366 E CA 1.048 57.451 56.400 0.004 0.000 0.821 366 E CB -0.275 29.415 29.700 -0.016 0.000 0.750 366 E HN 0.595 nan 8.360 nan 0.000 0.477 367 A N 0.824 123.602 122.820 -0.071 0.000 1.929 367 A HA -0.094 4.227 4.320 0.001 0.000 0.216 367 A C 2.092 179.617 177.584 -0.099 0.000 1.176 367 A CA 0.826 52.795 52.037 -0.113 0.000 0.628 367 A CB -0.309 18.592 19.000 -0.165 0.000 0.816 367 A HN 0.137 nan 8.150 nan 0.000 0.444 368 L N -1.215 119.949 121.223 -0.098 0.000 2.179 368 L HA -0.052 4.289 4.340 0.001 0.000 0.208 368 L C 2.667 179.525 176.870 -0.020 0.000 1.096 368 L CA 1.191 55.994 54.840 -0.063 0.000 0.779 368 L CB -0.508 41.526 42.059 -0.041 0.000 0.922 368 L HN 0.503 nan 8.230 nan 0.000 0.443 369 R N 0.834 121.331 120.500 -0.006 0.000 2.103 369 R HA -0.199 4.142 4.340 0.001 0.000 0.242 369 R C 1.143 177.435 176.300 -0.012 0.000 1.142 369 R CA 1.909 58.008 56.100 -0.001 0.000 0.960 369 R CB -0.129 30.174 30.300 0.005 0.000 0.858 369 R HN 0.253 nan 8.270 nan 0.000 0.439 370 D N 0.442 120.828 120.400 -0.024 0.000 2.358 370 D HA -0.011 4.629 4.640 0.001 0.000 0.241 370 D C 0.183 176.470 176.300 -0.023 0.000 1.094 370 D CA 0.534 54.519 54.000 -0.026 0.000 0.907 370 D CB 0.261 41.040 40.800 -0.036 0.000 0.893 370 D HN 0.138 nan 8.370 nan 0.000 0.528 371 V N -0.869 119.033 119.914 -0.020 0.000 3.160 371 V HA 0.337 4.458 4.120 0.001 0.000 0.310 371 V C -0.636 175.452 176.094 -0.009 0.000 1.181 371 V CA -0.985 61.306 62.300 -0.015 0.000 1.047 371 V CB 2.197 34.010 31.823 -0.016 0.000 1.068 371 V HN -0.279 nan 8.190 nan 0.000 0.441 372 N N 2.093 120.789 118.700 -0.006 0.000 3.167 372 N HA 0.139 4.880 4.740 0.001 0.000 0.318 372 N C -0.409 175.100 175.510 -0.001 0.000 1.268 372 N CA 0.326 53.375 53.050 -0.003 0.000 1.197 372 N CB -0.217 38.269 38.487 -0.003 0.000 1.464 372 N HN 0.501 nan 8.380 nan 0.000 0.555 373 V N 1.710 121.624 119.914 -0.000 0.000 2.320 373 V HA 0.098 4.219 4.120 0.001 0.000 0.265 373 V C 0.497 176.601 176.094 0.017 0.000 1.048 373 V CA -0.931 61.372 62.300 0.005 0.000 0.865 373 V CB 0.380 32.202 31.823 -0.002 0.000 1.043 373 V HN 0.286 nan 8.190 nan 0.000 0.474 374 N N 4.237 122.947 118.700 0.017 0.000 2.458 374 N HA 0.342 5.083 4.740 0.001 0.000 0.270 374 N C -0.568 174.963 175.510 0.035 0.000 1.102 374 N CA -0.233 52.831 53.050 0.023 0.000 0.967 374 N CB 0.761 39.256 38.487 0.013 0.000 1.078 374 N HN 0.524 nan 8.380 nan 0.000 0.471 375 I N 2.591 123.191 120.570 0.049 0.000 2.441 375 I HA 0.107 4.277 4.170 0.001 0.000 0.287 375 I C 1.329 177.468 176.117 0.037 0.000 1.049 375 I CA 0.250 61.587 61.300 0.062 0.000 1.381 375 I CB 1.159 39.213 38.000 0.091 0.000 1.409 375 I HN 0.713 nan 8.210 nan 0.000 0.523 376 E N 5.898 126.115 120.200 0.029 0.000 2.601 376 E HA 0.400 4.751 4.350 0.001 0.000 0.219 376 E C -0.432 176.173 176.600 0.007 0.000 0.964 376 E CA -0.195 56.212 56.400 0.012 0.000 1.050 376 E CB 0.887 30.587 29.700 0.000 0.000 1.068 376 E HN 0.363 nan 8.360 nan 0.000 0.496 377 L N 1.247 122.479 121.223 0.015 0.000 2.643 377 L HA 0.457 4.798 4.340 0.001 0.000 0.257 377 L C -1.957 174.918 176.870 0.009 0.000 0.922 377 L CA -0.408 54.437 54.840 0.008 0.000 0.909 377 L CB 2.161 44.221 42.059 0.001 0.000 1.424 377 L HN 0.105 nan 8.230 nan 0.000 0.422 378 I N 1.976 122.545 120.570 -0.002 0.000 2.689 378 I HA 0.823 4.994 4.170 0.001 0.000 0.299 378 I C -0.652 175.446 176.117 -0.033 0.000 1.059 378 I CA -0.734 60.550 61.300 -0.028 0.000 1.055 378 I CB 2.222 40.201 38.000 -0.036 0.000 1.243 378 I HN 0.559 nan 8.210 nan 0.000 0.425 379 S N 3.006 118.671 115.700 -0.059 0.000 2.562 379 S HA 0.689 5.160 4.470 0.001 0.000 0.274 379 S C -0.850 173.703 174.600 -0.078 0.000 1.160 379 S CA -0.400 57.771 58.200 -0.048 0.000 0.933 379 S CB 1.796 64.981 63.200 -0.025 0.000 1.100 379 S HN 0.852 nan 8.310 nan 0.000 0.468 380 T N 0.469 114.983 114.554 -0.068 0.000 2.906 380 T HA 0.869 5.219 4.350 0.001 0.000 0.295 380 T C -0.050 174.616 174.700 -0.055 0.000 1.075 380 T CA -0.197 61.855 62.100 -0.080 0.000 1.005 380 T CB 1.443 70.262 68.868 -0.083 0.000 1.136 380 T HN 1.441 nan 8.240 nan 0.000 0.498 381 S N 0.088 115.755 115.700 -0.055 0.000 2.751 381 S HA 0.467 4.938 4.470 0.001 0.000 0.310 381 S C 1.023 175.600 174.600 -0.039 0.000 1.128 381 S CA -0.572 57.604 58.200 -0.040 0.000 0.931 381 S CB 1.514 64.695 63.200 -0.031 0.000 1.177 381 S HN 0.934 nan 8.310 nan 0.000 0.530 382 E N -0.013 120.170 120.200 -0.029 0.000 2.097 382 E HA -0.180 4.170 4.350 0.001 0.000 0.196 382 E C 1.282 177.867 176.600 -0.025 0.000 1.000 382 E CA 1.989 58.375 56.400 -0.023 0.000 0.804 382 E CB -0.333 29.357 29.700 -0.017 0.000 0.740 382 E HN 0.724 nan 8.360 nan 0.000 0.454 383 I N -2.052 118.501 120.570 -0.029 0.000 3.877 383 I HA 0.350 4.520 4.170 0.001 0.000 0.332 383 I C 0.032 176.121 176.117 -0.047 0.000 1.525 383 I CA -0.550 60.729 61.300 -0.034 0.000 1.146 383 I CB 0.500 38.484 38.000 -0.026 0.000 1.137 383 I HN -0.142 nan 8.210 nan 0.000 0.424 384 R N 1.478 121.943 120.500 -0.059 0.000 2.604 384 R HA 0.667 5.008 4.340 0.001 0.000 0.270 384 R C -2.134 174.092 176.300 -0.124 0.000 1.052 384 R CA -0.662 55.392 56.100 -0.077 0.000 0.902 384 R CB 2.321 32.590 30.300 -0.052 0.000 1.233 384 R HN 0.305 nan 8.270 nan 0.000 0.455 385 I N 2.701 123.157 120.570 -0.191 0.000 2.410 385 I HA 0.300 4.471 4.170 0.001 0.000 0.286 385 I C -0.656 175.263 176.117 -0.329 0.000 1.009 385 I CA -0.430 60.656 61.300 -0.355 0.000 1.111 385 I CB 2.230 39.828 38.000 -0.671 0.000 1.262 385 I HN 0.523 nan 8.210 nan 0.000 0.443 386 S N 4.760 120.330 115.700 -0.216 0.000 2.501 386 S HA 0.747 5.217 4.470 0.001 0.000 0.301 386 S C -0.593 173.954 174.600 -0.088 0.000 1.096 386 S CA -0.650 57.492 58.200 -0.096 0.000 1.063 386 S CB 2.423 65.600 63.200 -0.038 0.000 1.042 386 S HN 0.285 nan 8.310 nan 0.000 0.494 387 V N 3.360 123.288 119.914 0.023 0.000 2.760 387 V HA 0.409 4.530 4.120 0.001 0.000 0.309 387 V C -0.900 175.238 176.094 0.074 0.000 1.077 387 V CA -0.703 61.635 62.300 0.064 0.000 0.910 387 V CB 1.907 33.845 31.823 0.192 0.000 1.008 387 V HN 0.751 nan 8.190 nan 0.000 0.424 388 L N 6.310 127.560 121.223 0.044 0.000 2.290 388 L HA 0.612 4.952 4.340 0.001 0.000 0.284 388 L C -0.022 176.870 176.870 0.037 0.000 1.078 388 L CA -0.078 54.780 54.840 0.031 0.000 0.815 388 L CB 0.957 43.019 42.059 0.005 0.000 1.162 388 L HN 0.642 nan 8.230 nan 0.000 0.435 389 I N -0.278 120.312 120.570 0.033 0.000 3.457 389 I HA 0.599 4.770 4.170 0.001 0.000 0.307 389 I C -0.329 175.792 176.117 0.007 0.000 1.138 389 I CA -1.417 59.899 61.300 0.026 0.000 0.974 389 I CB 1.748 39.772 38.000 0.039 0.000 1.324 389 I HN 0.332 nan 8.210 nan 0.000 0.485 390 R N 1.916 122.418 120.500 0.003 0.000 2.489 390 R HA 0.062 4.403 4.340 0.001 0.000 0.287 390 R C 1.353 177.650 176.300 -0.004 0.000 1.053 390 R CA 0.654 56.750 56.100 -0.006 0.000 1.036 390 R CB 0.436 30.733 30.300 -0.006 0.000 0.966 390 R HN 0.839 nan 8.270 nan 0.000 0.432 391 E N 1.993 122.188 120.200 -0.010 0.000 2.136 391 E HA -0.303 4.048 4.350 0.001 0.000 0.202 391 E C 0.014 176.612 176.600 -0.003 0.000 1.019 391 E CA 1.972 58.369 56.400 -0.006 0.000 0.819 391 E CB -0.206 29.488 29.700 -0.009 0.000 0.739 391 E HN 0.708 nan 8.360 nan 0.000 0.458 392 D N 0.097 120.495 120.400 -0.004 0.000 2.413 392 D HA 0.011 4.652 4.640 0.001 0.000 0.237 392 D C 0.074 176.372 176.300 -0.003 0.000 1.171 392 D CA 0.025 54.023 54.000 -0.004 0.000 0.839 392 D CB 0.313 41.111 40.800 -0.004 0.000 0.950 392 D HN 0.104 nan 8.370 nan 0.000 0.499 393 D N -0.448 119.952 120.400 -0.001 0.000 2.474 393 D HA 0.045 4.686 4.640 0.001 0.000 0.213 393 D C 1.881 178.182 176.300 0.001 0.000 1.120 393 D CA -0.320 53.680 54.000 -0.000 0.000 0.836 393 D CB 0.533 41.335 40.800 0.003 0.000 1.019 393 D HN 0.032 nan 8.370 nan 0.000 0.507 394 L N 1.377 122.603 121.223 0.004 0.000 1.971 394 L HA -0.197 4.144 4.340 0.001 0.000 0.215 394 L C 1.643 178.513 176.870 -0.000 0.000 1.072 394 L CA 1.853 56.697 54.840 0.007 0.000 0.758 394 L CB -1.001 41.062 42.059 0.007 0.000 0.889 394 L HN 0.003 nan 8.230 nan 0.000 0.433 395 D N -0.640 119.757 120.400 -0.006 0.000 2.116 395 D HA -0.182 4.459 4.640 0.001 0.000 0.193 395 D C 2.141 178.433 176.300 -0.013 0.000 0.998 395 D CA 1.696 55.689 54.000 -0.013 0.000 0.836 395 D CB -0.041 40.750 40.800 -0.015 0.000 0.951 395 D HN 0.373 nan 8.370 nan 0.000 0.449 396 A N 0.301 123.114 122.820 -0.011 0.000 1.929 396 A HA 0.140 4.461 4.320 0.001 0.000 0.216 396 A C 2.222 179.796 177.584 -0.017 0.000 1.176 396 A CA 1.753 53.783 52.037 -0.013 0.000 0.628 396 A CB -0.570 18.422 19.000 -0.013 0.000 0.816 396 A HN 0.224 nan 8.150 nan 0.000 0.444 397 A N -0.011 122.798 122.820 -0.018 0.000 1.898 397 A HA 0.215 4.535 4.320 0.001 0.000 0.216 397 A C 2.476 180.039 177.584 -0.035 0.000 1.181 397 A CA 1.945 53.960 52.037 -0.036 0.000 0.620 397 A CB -0.916 18.073 19.000 -0.017 0.000 0.819 397 A HN 0.918 nan 8.150 nan 0.000 0.442 398 A N -0.468 122.348 122.820 -0.006 0.000 1.854 398 A HA 0.087 4.408 4.320 0.001 0.000 0.214 398 A C 2.497 180.102 177.584 0.035 0.000 1.192 398 A CA 2.531 54.577 52.037 0.015 0.000 0.611 398 A CB -1.021 17.984 19.000 0.008 0.000 0.832 398 A HN 0.709 nan 8.150 nan 0.000 0.442 399 R N -0.489 120.018 120.500 0.012 0.000 2.103 399 R HA 0.029 4.370 4.340 0.001 0.000 0.242 399 R C 2.484 178.817 176.300 0.055 0.000 1.142 399 R CA 2.432 58.549 56.100 0.028 0.000 0.960 399 R CB -1.717 28.583 30.300 0.001 0.000 0.858 399 R HN 0.943 nan 8.270 nan 0.000 0.439 400 A N 0.297 123.127 122.820 0.016 0.000 1.929 400 A HA 0.318 4.638 4.320 0.001 0.000 0.216 400 A C 2.877 180.463 177.584 0.003 0.000 1.176 400 A CA 2.092 54.125 52.037 -0.007 0.000 0.628 400 A CB -0.688 18.287 19.000 -0.042 0.000 0.816 400 A HN 1.147 nan 8.150 nan 0.000 0.444 401 L N -1.194 120.038 121.223 0.015 0.000 2.109 401 L HA -0.033 4.308 4.340 0.001 0.000 0.207 401 L C 2.568 179.580 176.870 0.238 0.000 1.086 401 L CA 2.857 57.748 54.840 0.085 0.000 0.760 401 L CB -1.985 40.059 42.059 -0.025 0.000 0.910 401 L HN 0.772 nan 8.230 nan 0.000 0.437 402 H N -0.571 118.552 119.070 0.087 0.000 2.357 402 H HA -0.200 4.357 4.556 0.002 0.000 0.301 402 H C 2.268 177.649 175.328 0.088 0.000 1.082 402 H CA 2.094 58.200 56.048 0.095 0.000 1.342 402 H CB 0.141 29.934 29.762 0.052 0.000 1.389 402 H HN 0.738 nan 8.280 nan 0.000 0.511 403 E N -0.435 119.820 120.200 0.092 0.000 2.047 403 E HA -0.244 4.106 4.350 0.001 0.000 0.191 403 E C 2.543 179.111 176.600 -0.053 0.000 0.987 403 E CA 1.402 57.806 56.400 0.007 0.000 0.799 403 E CB -0.204 29.515 29.700 0.030 0.000 0.752 403 E HN 0.700 nan 8.360 nan 0.000 0.449 404 Q N -0.094 119.661 119.800 -0.074 0.000 2.170 404 Q HA -0.144 4.197 4.340 0.001 0.000 0.203 404 Q C 1.704 177.506 176.000 -0.329 0.000 0.976 404 Q CA 1.801 57.470 55.803 -0.222 0.000 0.858 404 Q CB -0.813 27.732 28.738 -0.321 0.000 0.907 404 Q HN 0.449 nan 8.270 nan 0.000 0.433 405 F N 0.310 120.220 119.950 -0.067 0.000 2.727 405 F HA 0.191 4.718 4.527 0.001 0.000 0.302 405 F C 0.569 176.309 175.800 -0.101 0.000 1.097 405 F CA 0.350 58.315 58.000 -0.058 0.000 1.330 405 F CB 0.844 39.825 39.000 -0.032 0.000 1.084 405 F HN 0.253 nan 8.300 nan 0.000 0.578 406 Q N 0.118 119.901 119.800 -0.028 0.000 2.487 406 Q HA -0.181 4.160 4.340 0.001 0.000 0.279 406 Q C -0.215 175.711 176.000 -0.122 0.000 1.228 406 Q CA 0.387 56.143 55.803 -0.078 0.000 0.873 406 Q CB -2.216 26.505 28.738 -0.027 0.000 1.260 406 Q HN 0.238 nan 8.270 nan 0.000 0.471 407 L N 0.000 121.053 121.223 -0.283 0.000 2.949 407 L HA 0.000 4.341 4.340 0.001 0.000 0.249 407 L CA 0.000 54.698 54.840 -0.237 0.000 0.813 407 L CB 0.000 41.922 42.059 -0.227 0.000 0.961 407 L HN 0.000 nan 8.230 nan 0.000 0.502