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 2of7_1_A DATA FIRST_RESID 17 DATA SEQUENCE GLRERKKTRT REAIRAATYG LIRQQGYEAT TVEQIAERAE VSPSTVLRYF DATA SEQUENCE PTREDIVLTD EYDPVXAAEL AARPAGEPWS DSLRHVLRKA LGLGAGEEAE DATA SEQUENCE LIRLRTRLLA EVPAVRARXL ENXSDTGRXL ARAIADRTGL DPDGLEVRIV DATA SEQUENCE SXSLVGGLXE VSRYWAEHDH EESLAELVDR ALDALENGLP A 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 17 G HA2 0.000 nan 3.960 nan 0.000 0.244 17 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 17 G C 0.000 174.907 174.900 0.011 0.000 0.946 17 G CA 0.000 45.106 45.100 0.010 0.000 0.502 18 L N 2.063 123.293 121.223 0.012 0.000 3.029 18 L HA 0.599 4.939 4.340 -0.001 0.000 0.231 18 L C 1.505 178.385 176.870 0.017 0.000 1.327 18 L CA -0.106 54.742 54.840 0.013 0.000 1.166 18 L CB -0.101 41.964 42.059 0.011 0.000 1.532 18 L HN 0.208 nan 8.230 nan 0.000 0.473 19 R N -1.227 119.285 120.500 0.020 0.000 2.316 19 R HA 0.119 4.458 4.340 -0.001 0.000 0.201 19 R C 1.124 177.444 176.300 0.034 0.000 0.888 19 R CA 0.030 56.147 56.100 0.028 0.000 1.041 19 R CB 0.642 30.956 30.300 0.024 0.000 1.115 19 R HN 0.244 nan 8.270 nan 0.000 0.559 20 E N 0.710 120.924 120.200 0.025 0.000 2.358 20 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 20 E C 1.231 177.842 176.600 0.019 0.000 1.010 20 E CA 0.650 57.065 56.400 0.024 0.000 0.856 20 E CB 0.230 29.941 29.700 0.018 0.000 0.795 20 E HN 0.135 nan 8.360 nan 0.000 0.504 21 R N 0.008 120.518 120.500 0.016 0.000 2.404 21 R HA 0.024 4.364 4.340 -0.001 0.000 0.237 21 R C 1.799 178.104 176.300 0.008 0.000 0.907 21 R CA 0.301 56.406 56.100 0.009 0.000 1.063 21 R CB 0.427 30.731 30.300 0.006 0.000 1.134 21 R HN -0.084 nan 8.270 nan 0.000 0.529 22 K N 1.174 121.585 120.400 0.019 0.000 2.062 22 K HA -0.111 4.208 4.320 -0.001 0.000 0.205 22 K C 1.776 178.387 176.600 0.017 0.000 1.051 22 K CA 1.578 57.879 56.287 0.022 0.000 0.941 22 K CB -0.092 32.429 32.500 0.036 0.000 0.719 22 K HN -0.118 nan 8.250 nan 0.000 0.440 23 K N 0.491 120.916 120.400 0.042 0.000 2.015 23 K HA -0.231 4.088 4.320 -0.001 0.000 0.216 23 K C 2.180 178.722 176.600 -0.096 0.000 1.052 23 K CA 2.625 58.938 56.287 0.044 0.000 0.937 23 K CB -0.764 31.800 32.500 0.107 0.000 0.719 23 K HN 0.512 nan 8.250 nan 0.000 0.446 24 T N -0.982 113.542 114.554 -0.050 0.000 2.737 24 T HA -0.066 4.283 4.350 -0.001 0.000 0.265 24 T C 1.946 176.604 174.700 -0.070 0.000 1.038 24 T CA 0.660 62.723 62.100 -0.063 0.000 1.144 24 T CB -0.263 68.591 68.868 -0.023 0.000 0.866 24 T HN 0.130 nan 8.240 nan 0.000 0.434 25 R N 0.913 121.385 120.500 -0.046 0.000 2.211 25 R HA -0.019 4.320 4.340 -0.001 0.000 0.240 25 R C 2.659 178.924 176.300 -0.057 0.000 1.144 25 R CA 1.557 57.635 56.100 -0.036 0.000 0.992 25 R CB -1.703 28.587 30.300 -0.017 0.000 0.869 25 R HN 0.673 nan 8.270 nan 0.000 0.462 26 T N -0.618 113.865 114.554 -0.118 0.000 3.010 26 T HA 0.044 4.394 4.350 -0.001 0.000 0.252 26 T C 1.832 176.410 174.700 -0.205 0.000 1.047 26 T CA 0.186 62.197 62.100 -0.148 0.000 1.140 26 T CB 0.193 68.984 68.868 -0.128 0.000 0.885 26 T HN 0.116 nan 8.240 nan 0.000 0.464 27 R N 0.767 121.063 120.500 -0.340 0.000 2.113 27 R HA -0.117 4.223 4.340 -0.001 0.000 0.244 27 R C 2.430 178.771 176.300 0.069 0.000 1.142 27 R CA 2.139 58.157 56.100 -0.136 0.000 0.953 27 R CB -0.295 29.908 30.300 -0.161 0.000 0.860 27 R HN 0.612 nan 8.270 nan 0.000 0.438 28 E N -0.305 119.899 120.200 0.006 0.000 2.150 28 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 28 E C 1.896 178.508 176.600 0.021 0.000 0.985 28 E CA 1.018 57.431 56.400 0.022 0.000 0.814 28 E CB -0.020 29.681 29.700 0.002 0.000 0.752 28 E HN 0.363 nan 8.360 nan 0.000 0.466 29 A N 0.901 123.725 122.820 0.008 0.000 1.930 29 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 29 A C 2.105 179.701 177.584 0.021 0.000 1.176 29 A CA 0.666 52.711 52.037 0.013 0.000 0.632 29 A CB -0.360 18.644 19.000 0.007 0.000 0.819 29 A HN 0.106 nan 8.150 nan 0.000 0.445 30 I N -1.045 119.545 120.570 0.034 0.000 2.252 30 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 30 I C 2.754 178.838 176.117 -0.056 0.000 1.102 30 I CA 1.159 62.473 61.300 0.024 0.000 1.385 30 I CB -0.346 37.740 38.000 0.144 0.000 1.064 30 I HN 0.278 nan 8.210 nan 0.000 0.414 31 R N 0.774 121.257 120.500 -0.028 0.000 2.080 31 R HA -0.200 4.139 4.340 -0.001 0.000 0.236 31 R C 2.443 178.828 176.300 0.142 0.000 1.137 31 R CA 1.868 57.980 56.100 0.020 0.000 0.943 31 R CB -0.445 29.901 30.300 0.077 0.000 0.846 31 R HN 0.394 nan 8.270 nan 0.000 0.431 32 A N 0.755 123.627 122.820 0.087 0.000 1.902 32 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 32 A C 2.318 179.945 177.584 0.072 0.000 1.181 32 A CA 1.709 53.798 52.037 0.086 0.000 0.623 32 A CB -0.681 18.342 19.000 0.039 0.000 0.818 32 A HN 0.470 nan 8.150 nan 0.000 0.443 33 A N -0.545 122.293 122.820 0.029 0.000 1.842 33 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 33 A C 2.338 179.912 177.584 -0.017 0.000 1.206 33 A CA 2.738 54.777 52.037 0.004 0.000 0.630 33 A CB -1.657 17.336 19.000 -0.011 0.000 0.839 33 A HN 0.459 nan 8.150 nan 0.000 0.447 34 T N -1.008 113.503 114.554 -0.072 0.000 2.624 34 T HA -0.241 4.108 4.350 -0.001 0.000 0.268 34 T C 1.762 176.348 174.700 -0.190 0.000 1.041 34 T CA 2.052 64.050 62.100 -0.169 0.000 1.159 34 T CB -0.626 68.069 68.868 -0.288 0.000 0.863 34 T HN 0.478 nan 8.240 nan 0.000 0.434 35 Y N 1.566 121.843 120.300 -0.038 0.000 2.053 35 Y HA -0.094 4.456 4.550 -0.001 0.000 0.277 35 Y C 2.913 178.810 175.900 -0.006 0.000 1.159 35 Y CA 1.202 59.293 58.100 -0.014 0.000 1.125 35 Y CB -1.237 37.210 38.460 -0.021 0.000 0.969 35 Y HN 0.289 nan 8.280 nan 0.000 0.492 36 G N -0.074 108.806 108.800 0.133 0.000 2.513 36 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 36 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 36 G C 1.673 176.593 174.900 0.032 0.000 1.160 36 G CA 1.534 46.674 45.100 0.067 0.000 0.767 36 G HN 0.394 nan 8.290 nan 0.000 0.571 37 L N -0.192 121.031 121.223 0.001 0.000 2.201 37 L HA 0.084 4.424 4.340 -0.001 0.000 0.212 37 L C 2.760 179.621 176.870 -0.015 0.000 1.105 37 L CA 0.319 55.147 54.840 -0.020 0.000 0.775 37 L CB -0.194 41.834 42.059 -0.053 0.000 0.913 37 L HN 0.216 nan 8.230 nan 0.000 0.440 38 I N -0.852 119.713 120.570 -0.007 0.000 2.277 38 I HA -0.221 3.948 4.170 -0.001 0.000 0.243 38 I C 2.698 178.844 176.117 0.048 0.000 1.094 38 I CA 0.861 62.174 61.300 0.021 0.000 1.393 38 I CB -0.135 37.886 38.000 0.036 0.000 1.078 38 I HN 0.092 nan 8.210 nan 0.000 0.417 39 R N 0.645 121.183 120.500 0.063 0.000 2.122 39 R HA -0.270 4.069 4.340 -0.001 0.000 0.236 39 R C 2.361 178.682 176.300 0.036 0.000 1.129 39 R CA 2.252 58.387 56.100 0.058 0.000 0.925 39 R CB -0.426 29.913 30.300 0.064 0.000 0.850 39 R HN 0.430 nan 8.270 nan 0.000 0.431 40 Q N -0.398 119.418 119.800 0.026 0.000 2.061 40 Q HA -0.205 4.135 4.340 -0.001 0.000 0.204 40 Q C 1.365 177.371 176.000 0.010 0.000 0.984 40 Q CA 1.677 57.489 55.803 0.015 0.000 0.846 40 Q CB 0.064 28.807 28.738 0.008 0.000 0.902 40 Q HN 0.522 nan 8.270 nan 0.000 0.421 41 Q N -0.770 119.034 119.800 0.006 0.000 2.127 41 Q HA 0.330 4.669 4.340 -0.001 0.000 0.222 41 Q C 0.153 176.154 176.000 0.003 0.000 0.794 41 Q CA 0.121 55.923 55.803 -0.001 0.000 1.010 41 Q CB 1.869 30.599 28.738 -0.014 0.000 1.170 41 Q HN 0.288 nan 8.270 nan 0.000 0.479 42 G N 1.054 109.867 108.800 0.021 0.000 2.781 42 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.683 42 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.683 42 G C -0.380 174.558 174.900 0.063 0.000 1.390 42 G CA -0.118 45.009 45.100 0.046 0.000 0.850 42 G HN 0.193 nan 8.290 nan 0.000 0.557 43 Y N 0.635 120.912 120.300 -0.037 0.000 2.109 43 Y HA 0.045 4.594 4.550 -0.001 0.000 0.285 43 Y C 2.856 178.729 175.900 -0.045 0.000 1.131 43 Y CA 2.684 60.753 58.100 -0.051 0.000 1.121 43 Y CB -0.157 38.275 38.460 -0.047 0.000 0.987 43 Y HN 0.673 nan 8.280 nan 0.000 0.495 44 E N 0.238 120.449 120.200 0.019 0.000 2.204 44 E HA -0.094 4.256 4.350 -0.001 0.000 0.194 44 E C 2.028 178.570 176.600 -0.097 0.000 0.989 44 E CA 0.953 57.313 56.400 -0.067 0.000 0.824 44 E CB -0.454 29.259 29.700 0.020 0.000 0.756 44 E HN 0.497 nan 8.360 nan 0.000 0.477 45 A N -0.382 122.398 122.820 -0.068 0.000 2.172 45 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 45 A C 1.060 178.584 177.584 -0.100 0.000 1.154 45 A CA 0.935 52.933 52.037 -0.065 0.000 0.701 45 A CB -0.322 18.655 19.000 -0.037 0.000 0.789 45 A HN 0.115 nan 8.150 nan 0.000 0.465 46 T N 2.240 116.695 114.554 -0.166 0.000 2.739 46 T HA 0.374 4.724 4.350 -0.001 0.000 0.298 46 T C 0.348 174.919 174.700 -0.215 0.000 0.929 46 T CA 0.362 62.342 62.100 -0.200 0.000 1.014 46 T CB 0.284 68.999 68.868 -0.254 0.000 0.914 46 T HN 0.488 nan 8.240 nan 0.000 0.509 47 T N 0.317 114.789 114.554 -0.137 0.000 2.882 47 T HA 0.296 4.645 4.350 -0.001 0.000 0.287 47 T C 1.654 176.298 174.700 -0.093 0.000 0.992 47 T CA -0.802 61.233 62.100 -0.109 0.000 1.076 47 T CB 1.513 70.340 68.868 -0.069 0.000 0.961 47 T HN 0.245 nan 8.240 nan 0.000 0.490 48 V N 2.566 122.433 119.914 -0.079 0.000 2.277 48 V HA -0.290 3.829 4.120 -0.001 0.000 0.253 48 V C 2.212 178.291 176.094 -0.024 0.000 1.067 48 V CA 2.762 65.036 62.300 -0.044 0.000 1.047 48 V CB -0.980 30.833 31.823 -0.017 0.000 0.649 48 V HN 1.024 nan 8.190 nan 0.000 0.447 49 E N -0.021 120.165 120.200 -0.024 0.000 2.049 49 E HA -0.297 4.052 4.350 -0.001 0.000 0.198 49 E C 2.353 178.942 176.600 -0.018 0.000 1.007 49 E CA 2.197 58.588 56.400 -0.015 0.000 0.809 49 E CB -0.464 29.226 29.700 -0.016 0.000 0.749 49 E HN 0.738 nan 8.360 nan 0.000 0.450 50 Q N -0.046 119.735 119.800 -0.031 0.000 2.135 50 Q HA -0.180 4.159 4.340 -0.001 0.000 0.204 50 Q C 2.336 178.317 176.000 -0.031 0.000 0.981 50 Q CA 1.234 57.017 55.803 -0.033 0.000 0.856 50 Q CB -0.186 28.524 28.738 -0.047 0.000 0.902 50 Q HN 0.390 nan 8.270 nan 0.000 0.425 51 I N 0.250 120.797 120.570 -0.040 0.000 2.179 51 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 51 I C 2.475 178.589 176.117 -0.005 0.000 1.088 51 I CA 0.923 62.202 61.300 -0.036 0.000 1.357 51 I CB -0.548 37.418 38.000 -0.058 0.000 1.051 51 I HN 0.146 nan 8.210 nan 0.000 0.409 52 A N 0.949 123.775 122.820 0.009 0.000 1.869 52 A HA -0.349 3.970 4.320 -0.001 0.000 0.218 52 A C 2.280 179.875 177.584 0.018 0.000 1.203 52 A CA 2.474 54.527 52.037 0.027 0.000 0.638 52 A CB -1.007 18.010 19.000 0.029 0.000 0.831 52 A HN 0.562 nan 8.150 nan 0.000 0.450 53 E N -0.438 119.768 120.200 0.009 0.000 2.086 53 E HA -0.298 4.051 4.350 -0.001 0.000 0.200 53 E C 2.228 178.832 176.600 0.006 0.000 1.012 53 E CA 1.853 58.257 56.400 0.006 0.000 0.812 53 E CB -0.210 29.491 29.700 0.000 0.000 0.743 53 E HN 0.607 nan 8.360 nan 0.000 0.453 54 R N -0.393 120.108 120.500 0.002 0.000 2.115 54 R HA 0.013 4.352 4.340 -0.001 0.000 0.226 54 R C 1.996 178.301 176.300 0.007 0.000 1.100 54 R CA 1.072 57.173 56.100 0.002 0.000 0.980 54 R CB -0.170 30.127 30.300 -0.005 0.000 0.875 54 R HN 0.253 nan 8.270 nan 0.000 0.445 55 A N 1.346 124.173 122.820 0.012 0.000 2.169 55 A HA -0.030 4.289 4.320 -0.001 0.000 0.212 55 A C -0.205 177.393 177.584 0.022 0.000 1.153 55 A CA 0.652 52.700 52.037 0.019 0.000 0.756 55 A CB -0.215 18.802 19.000 0.028 0.000 0.813 55 A HN 0.606 nan 8.150 nan 0.000 0.471 56 E N -1.617 118.595 120.200 0.021 0.000 2.302 56 E HA -0.082 4.268 4.350 -0.001 0.000 0.186 56 E C -0.653 175.965 176.600 0.030 0.000 1.444 56 E CA 0.334 56.746 56.400 0.021 0.000 0.671 56 E CB -2.531 27.179 29.700 0.016 0.000 1.122 56 E HN 0.372 nan 8.360 nan 0.000 0.366 57 V N 0.918 120.854 119.914 0.037 0.000 3.167 57 V HA 0.326 4.445 4.120 -0.001 0.000 0.293 57 V C -0.124 176.000 176.094 0.051 0.000 1.379 57 V CA -0.329 62.003 62.300 0.053 0.000 1.019 57 V CB 2.383 34.249 31.823 0.072 0.000 1.115 57 V HN 0.602 nan 8.190 nan 0.000 0.442 58 S N 3.903 119.637 115.700 0.056 0.000 2.564 58 S HA 0.301 4.770 4.470 -0.001 0.000 0.278 58 S C -2.012 172.623 174.600 0.057 0.000 1.333 58 S CA -0.941 57.287 58.200 0.046 0.000 1.048 58 S CB 1.017 64.239 63.200 0.038 0.000 0.900 58 S HN 0.629 nan 8.310 nan 0.000 0.505 59 P HA -0.155 nan 4.420 nan 0.000 0.219 59 P C 1.298 178.627 177.300 0.048 0.000 1.144 59 P CA 1.491 64.617 63.100 0.042 0.000 0.806 59 P CB -0.069 31.645 31.700 0.024 0.000 0.771 60 S N -4.101 111.622 115.700 0.039 0.000 2.497 60 S HA 0.035 4.505 4.470 -0.001 0.000 0.218 60 S C 1.788 176.400 174.600 0.019 0.000 1.023 60 S CA 0.531 58.745 58.200 0.023 0.000 0.913 60 S CB -1.282 61.920 63.200 0.005 0.000 0.800 60 S HN 0.011 nan 8.310 nan 0.000 0.505 61 T N 3.072 117.656 114.554 0.049 0.000 2.684 61 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 61 T C 1.875 176.709 174.700 0.223 0.000 1.036 61 T CA 1.638 63.798 62.100 0.099 0.000 1.148 61 T CB -0.584 68.383 68.868 0.165 0.000 0.863 61 T HN 0.268 nan 8.240 nan 0.000 0.436 62 V N 1.401 121.445 119.914 0.216 0.000 2.233 62 V HA -0.155 3.965 4.120 -0.001 0.000 0.247 62 V C 2.499 178.759 176.094 0.277 0.000 1.050 62 V CA 1.438 63.918 62.300 0.299 0.000 1.010 62 V CB -0.797 31.144 31.823 0.197 0.000 0.637 62 V HN 0.291 nan 8.190 nan 0.000 0.444 63 L N -0.135 121.179 121.223 0.152 0.000 2.010 63 L HA -0.240 4.100 4.340 -0.001 0.000 0.219 63 L C 2.592 179.489 176.870 0.044 0.000 1.077 63 L CA 2.193 57.093 54.840 0.099 0.000 0.773 63 L CB -0.987 41.102 42.059 0.049 0.000 0.892 63 L HN 0.271 nan 8.230 nan 0.000 0.436 64 R N -2.385 118.096 120.500 -0.033 0.000 2.152 64 R HA -0.195 4.144 4.340 -0.001 0.000 0.232 64 R C 2.108 178.245 176.300 -0.272 0.000 1.117 64 R CA 1.287 57.284 56.100 -0.172 0.000 0.981 64 R CB -0.089 30.047 30.300 -0.273 0.000 0.870 64 R HN 0.324 nan 8.270 nan 0.000 0.451 65 Y N -1.550 118.663 120.300 -0.146 0.000 2.389 65 Y HA 0.128 4.677 4.550 -0.001 0.000 0.292 65 Y C -0.001 175.468 175.900 -0.719 0.000 1.117 65 Y CA 0.573 58.416 58.100 -0.428 0.000 1.195 65 Y CB 0.595 38.771 38.460 -0.473 0.000 1.076 65 Y HN -0.143 nan 8.280 nan 0.000 0.548 66 F N -0.400 119.650 119.950 0.167 0.000 2.771 66 F HA 0.374 4.900 4.527 -0.001 0.000 0.365 66 F C -2.024 173.814 175.800 0.062 0.000 1.169 66 F CA -2.811 55.250 58.000 0.101 0.000 1.093 66 F CB 1.326 40.378 39.000 0.087 0.000 1.363 66 F HN -0.195 nan 8.300 nan 0.000 0.496 67 P HA -0.103 nan 4.420 nan 0.000 0.215 67 P C 0.407 177.777 177.300 0.116 0.000 1.157 67 P CA 1.619 64.786 63.100 0.112 0.000 0.874 67 P CB 0.120 31.868 31.700 0.079 0.000 0.790 68 T N -4.912 109.724 114.554 0.137 0.000 2.924 68 T HA 0.434 4.783 4.350 -0.001 0.000 0.291 68 T C 0.820 175.585 174.700 0.108 0.000 1.045 68 T CA -0.983 61.180 62.100 0.106 0.000 1.015 68 T CB 1.838 70.761 68.868 0.093 0.000 1.103 68 T HN -0.162 nan 8.240 nan 0.000 0.496 69 R N 0.280 120.810 120.500 0.051 0.000 2.193 69 R HA -0.054 4.286 4.340 -0.001 0.000 0.229 69 R C 1.810 178.152 176.300 0.070 0.000 1.110 69 R CA 1.325 57.421 56.100 -0.007 0.000 0.988 69 R CB -0.341 29.897 30.300 -0.103 0.000 0.871 69 R HN 0.710 nan 8.270 nan 0.000 0.458 70 E N 0.516 120.797 120.200 0.134 0.000 2.150 70 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 70 E C 1.305 177.963 176.600 0.096 0.000 0.985 70 E CA 1.058 57.535 56.400 0.129 0.000 0.814 70 E CB -0.020 29.749 29.700 0.115 0.000 0.752 70 E HN 0.278 nan 8.360 nan 0.000 0.466 71 D N 0.156 120.630 120.400 0.123 0.000 2.149 71 D HA -0.081 4.558 4.640 -0.001 0.000 0.201 71 D C 1.946 178.341 176.300 0.159 0.000 0.972 71 D CA 0.792 54.916 54.000 0.208 0.000 0.835 71 D CB 0.056 41.057 40.800 0.335 0.000 0.966 71 D HN 0.226 nan 8.370 nan 0.000 0.476 72 I N 0.755 121.212 120.570 -0.189 0.000 2.179 72 I HA -0.225 3.944 4.170 -0.001 0.000 0.242 72 I C 2.574 178.527 176.117 -0.273 0.000 1.088 72 I CA 0.595 61.466 61.300 -0.716 0.000 1.357 72 I CB -0.413 37.128 38.000 -0.765 0.000 1.051 72 I HN -0.147 nan 8.210 nan 0.000 0.409 73 V N 1.028 120.853 119.914 -0.149 0.000 2.282 73 V HA -0.221 3.898 4.120 -0.001 0.000 0.249 73 V C 1.434 177.573 176.094 0.075 0.000 1.057 73 V CA 1.329 63.599 62.300 -0.050 0.000 1.032 73 V CB -0.488 31.322 31.823 -0.023 0.000 0.645 73 V HN 0.316 nan 8.190 nan 0.000 0.447 74 L N 0.697 121.960 121.223 0.065 0.000 3.035 74 L HA 0.202 4.542 4.340 -0.001 0.000 0.232 74 L C 1.436 178.359 176.870 0.088 0.000 1.341 74 L CA 0.675 55.555 54.840 0.066 0.000 1.177 74 L CB -1.078 41.052 42.059 0.117 0.000 1.555 74 L HN 0.324 nan 8.230 nan 0.000 0.473 75 T N -1.777 112.837 114.554 0.099 0.000 2.837 75 T HA -0.056 4.293 4.350 -0.001 0.000 0.248 75 T C 0.619 175.356 174.700 0.062 0.000 1.033 75 T CA 0.195 62.392 62.100 0.162 0.000 1.150 75 T CB 0.038 69.033 68.868 0.211 0.000 0.865 75 T HN 0.248 nan 8.240 nan 0.000 0.425 76 D N 1.954 122.354 120.400 -0.001 0.000 2.359 76 D HA 0.054 4.694 4.640 -0.001 0.000 0.273 76 D C 0.658 176.837 176.300 -0.202 0.000 1.362 76 D CA 0.161 54.107 54.000 -0.089 0.000 1.010 76 D CB 0.391 41.112 40.800 -0.130 0.000 1.090 76 D HN 0.313 nan 8.370 nan 0.000 0.521 77 E N 2.274 122.400 120.200 -0.124 0.000 2.478 77 E HA 0.002 4.351 4.350 -0.001 0.000 0.194 77 E C -0.040 176.552 176.600 -0.013 0.000 1.045 77 E CA 0.045 56.403 56.400 -0.069 0.000 0.868 77 E CB 0.256 29.981 29.700 0.043 0.000 0.885 77 E HN 0.564 nan 8.360 nan 0.000 0.505 78 Y N -0.915 119.412 120.300 0.045 0.000 2.822 78 Y HA -0.448 4.101 4.550 -0.001 0.000 0.469 78 Y C 1.535 177.457 175.900 0.036 0.000 1.227 78 Y CA 1.190 59.311 58.100 0.036 0.000 2.538 78 Y CB -1.689 36.793 38.460 0.038 0.000 1.181 78 Y HN 0.181 nan 8.280 nan 0.000 0.607 79 D N 1.463 121.999 120.400 0.226 0.000 2.108 79 D HA -0.139 4.500 4.640 -0.001 0.000 0.190 79 D C -0.715 175.645 176.300 0.100 0.000 0.995 79 D CA 2.815 56.898 54.000 0.138 0.000 0.834 79 D CB -0.925 39.943 40.800 0.113 0.000 0.967 79 D HN 0.409 nan 8.370 nan 0.000 0.446 80 P HA -0.075 nan 4.420 nan 0.000 0.218 80 P C 1.271 178.602 177.300 0.051 0.000 1.148 80 P CA 0.940 64.075 63.100 0.058 0.000 0.822 80 P CB -0.347 31.382 31.700 0.047 0.000 0.784 84 A N 0.260 123.112 122.820 0.053 0.000 1.892 84 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 84 A C 1.746 179.359 177.584 0.049 0.000 1.188 84 A CA 2.734 54.797 52.037 0.044 0.000 0.631 84 A CB -0.662 18.358 19.000 0.034 0.000 0.822 84 A HN 0.706 nan 8.150 nan 0.000 0.447 85 E N -0.571 119.666 120.200 0.060 0.000 2.130 85 E HA -0.203 4.146 4.350 -0.001 0.000 0.196 85 E C 1.730 178.380 176.600 0.082 0.000 0.998 85 E CA 1.551 58.002 56.400 0.085 0.000 0.806 85 E CB -0.327 29.436 29.700 0.104 0.000 0.738 85 E HN 0.488 nan 8.360 nan 0.000 0.459 86 L N -0.411 120.857 121.223 0.075 0.000 2.127 86 L HA 0.200 4.539 4.340 -0.001 0.000 0.203 86 L C 2.094 178.998 176.870 0.058 0.000 1.080 86 L CA 1.836 56.718 54.840 0.071 0.000 0.768 86 L CB -0.932 41.186 42.059 0.099 0.000 0.924 86 L HN 0.148 nan 8.230 nan 0.000 0.444 87 A N 0.141 122.993 122.820 0.054 0.000 1.858 87 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 87 A C 2.020 179.618 177.584 0.023 0.000 1.190 87 A CA 1.381 53.444 52.037 0.042 0.000 0.617 87 A CB -1.351 17.671 19.000 0.038 0.000 0.827 87 A HN 0.501 nan 8.150 nan 0.000 0.443 88 A N -0.575 122.255 122.820 0.017 0.000 2.358 88 A HA 0.163 4.482 4.320 -0.001 0.000 0.232 88 A C 1.526 179.091 177.584 -0.030 0.000 1.498 88 A CA 0.001 52.038 52.037 -0.001 0.000 1.400 88 A CB -0.599 18.404 19.000 0.006 0.000 0.852 88 A HN 0.332 nan 8.150 nan 0.000 0.605 89 R N 0.632 121.110 120.500 -0.036 0.000 2.115 89 R HA -0.040 4.300 4.340 -0.001 0.000 0.230 89 R C -0.989 175.257 176.300 -0.091 0.000 1.111 89 R CA 0.938 56.983 56.100 -0.092 0.000 0.976 89 R CB -1.327 28.932 30.300 -0.069 0.000 0.870 89 R HN 0.544 nan 8.270 nan 0.000 0.445 90 P HA 0.133 nan 4.420 nan 0.000 0.255 90 P C -0.493 176.796 177.300 -0.019 0.000 1.301 90 P CA 0.048 63.135 63.100 -0.022 0.000 0.817 90 P CB -0.055 31.638 31.700 -0.012 0.000 1.259 91 A N 1.068 123.865 122.820 -0.037 0.000 2.561 91 A HA 0.286 4.605 4.320 -0.001 0.000 0.251 91 A C 1.627 179.205 177.584 -0.010 0.000 1.062 91 A CA 0.365 52.384 52.037 -0.029 0.000 0.761 91 A CB -0.646 18.326 19.000 -0.048 0.000 0.986 91 A HN 0.254 nan 8.150 nan 0.000 0.510 92 G N 2.344 111.144 108.800 -0.001 0.000 3.215 92 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.208 92 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.208 92 G C 0.402 175.310 174.900 0.013 0.000 1.014 92 G CA 0.709 45.815 45.100 0.011 0.000 1.604 92 G HN 0.942 nan 8.290 nan 0.000 0.549 93 E N 1.143 121.349 120.200 0.010 0.000 2.338 93 E HA 0.258 4.607 4.350 -0.001 0.000 0.272 93 E C -1.490 175.133 176.600 0.038 0.000 1.029 93 E CA -1.909 54.495 56.400 0.006 0.000 0.872 93 E CB 0.881 30.568 29.700 -0.022 0.000 1.015 93 E HN 0.092 nan 8.360 nan 0.000 0.417 94 P HA -0.189 nan 4.420 nan 0.000 0.270 94 P C 0.228 177.598 177.300 0.118 0.000 1.216 94 P CA 0.055 63.201 63.100 0.077 0.000 0.788 94 P CB 0.266 31.995 31.700 0.049 0.000 0.883 95 W N 1.436 122.735 121.300 -0.003 0.000 2.378 95 W HA -0.181 4.478 4.660 -0.002 0.000 0.313 95 W C 1.609 178.131 176.519 0.004 0.000 1.197 95 W CA 1.860 59.206 57.345 0.000 0.000 1.304 95 W CB -0.991 28.469 29.460 -0.001 0.000 1.148 95 W HN 0.248 nan 8.180 nan 0.000 0.494 96 S N 1.332 116.933 115.700 -0.166 0.000 2.400 96 S HA -0.249 4.220 4.470 -0.001 0.000 0.234 96 S C 0.980 175.423 174.600 -0.262 0.000 1.049 96 S CA 2.175 60.217 58.200 -0.264 0.000 1.039 96 S CB -0.523 62.637 63.200 -0.068 0.000 0.856 96 S HN 0.324 nan 8.310 nan 0.000 0.465 97 D N 0.367 120.666 120.400 -0.168 0.000 2.327 97 D HA 0.157 4.797 4.640 -0.001 0.000 0.205 97 D C 1.850 178.081 176.300 -0.114 0.000 0.989 97 D CA 0.384 54.318 54.000 -0.111 0.000 0.873 97 D CB -0.255 40.511 40.800 -0.057 0.000 0.955 97 D HN 0.283 nan 8.370 nan 0.000 0.515 98 S N 0.765 116.358 115.700 -0.179 0.000 2.387 98 S HA -0.053 4.416 4.470 -0.001 0.000 0.226 98 S C 1.764 176.221 174.600 -0.238 0.000 1.026 98 S CA 0.197 58.301 58.200 -0.158 0.000 0.972 98 S CB 0.061 63.187 63.200 -0.123 0.000 0.814 98 S HN 0.122 nan 8.310 nan 0.000 0.477 99 L N 1.765 122.690 121.223 -0.497 0.000 2.179 99 L HA 0.209 4.549 4.340 -0.001 0.000 0.208 99 L C 2.192 178.892 176.870 -0.283 0.000 1.096 99 L CA 1.395 55.906 54.840 -0.548 0.000 0.779 99 L CB -0.426 41.038 42.059 -0.992 0.000 0.922 99 L HN 0.088 nan 8.230 nan 0.000 0.443 100 R N -1.739 118.630 120.500 -0.218 0.000 2.057 100 R HA -0.195 4.145 4.340 -0.001 0.000 0.229 100 R C 2.372 178.612 176.300 -0.100 0.000 1.136 100 R CA 1.575 57.591 56.100 -0.138 0.000 0.952 100 R CB -0.435 29.799 30.300 -0.110 0.000 0.848 100 R HN 0.517 nan 8.270 nan 0.000 0.430 101 H N 0.049 119.038 119.070 -0.135 0.000 2.257 101 H HA -0.192 4.364 4.556 -0.000 0.000 0.292 101 H C 1.931 177.205 175.328 -0.090 0.000 1.075 101 H CA 3.106 59.094 56.048 -0.099 0.000 1.212 101 H CB -0.511 29.199 29.762 -0.087 0.000 1.354 101 H HN 0.137 nan 8.280 nan 0.000 0.497 102 V N -0.314 119.584 119.914 -0.026 0.000 2.469 102 V HA -0.151 3.969 4.120 -0.001 0.000 0.251 102 V C 2.255 178.296 176.094 -0.088 0.000 1.064 102 V CA 2.001 64.275 62.300 -0.043 0.000 1.066 102 V CB -0.803 31.033 31.823 0.021 0.000 0.667 102 V HN 0.425 nan 8.190 nan 0.000 0.461 103 L N 0.473 121.631 121.223 -0.109 0.000 2.131 103 L HA 0.142 4.482 4.340 -0.001 0.000 0.206 103 L C 2.686 179.491 176.870 -0.109 0.000 1.087 103 L CA 1.675 56.459 54.840 -0.093 0.000 0.767 103 L CB -0.816 41.182 42.059 -0.101 0.000 0.917 103 L HN 0.238 nan 8.230 nan 0.000 0.441 104 R N -0.561 119.848 120.500 -0.152 0.000 2.081 104 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 104 R C 2.263 178.462 176.300 -0.168 0.000 1.131 104 R CA 1.585 57.585 56.100 -0.167 0.000 0.960 104 R CB -0.186 30.001 30.300 -0.188 0.000 0.856 104 R HN 0.189 nan 8.270 nan 0.000 0.436 105 K N 0.441 120.713 120.400 -0.212 0.000 2.025 105 K HA -0.023 4.296 4.320 -0.001 0.000 0.207 105 K C 1.964 178.516 176.600 -0.080 0.000 1.049 105 K CA 1.359 57.538 56.287 -0.181 0.000 0.933 105 K CB -0.229 32.122 32.500 -0.249 0.000 0.714 105 K HN 0.146 nan 8.250 nan 0.000 0.438 106 A N 0.410 123.213 122.820 -0.029 0.000 1.986 106 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 106 A C 1.994 179.662 177.584 0.141 0.000 1.171 106 A CA 1.601 53.691 52.037 0.089 0.000 0.640 106 A CB -0.645 18.439 19.000 0.140 0.000 0.811 106 A HN 0.292 nan 8.150 nan 0.000 0.451 107 L N -2.221 119.024 121.223 0.036 0.000 2.446 107 L HA 0.250 4.589 4.340 -0.001 0.000 0.219 107 L C 1.557 178.410 176.870 -0.028 0.000 1.116 107 L CA 0.675 55.524 54.840 0.015 0.000 0.844 107 L CB 0.083 42.108 42.059 -0.057 0.000 0.970 107 L HN 0.584 nan 8.230 nan 0.000 0.457 108 G N 0.125 108.890 108.800 -0.059 0.000 2.145 108 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.145 108 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.145 108 G C -0.127 174.713 174.900 -0.100 0.000 1.017 108 G CA -0.701 44.361 45.100 -0.064 0.000 0.682 108 G HN 0.080 nan 8.290 nan 0.000 0.504 109 L N 0.640 121.787 121.223 -0.127 0.000 2.305 109 L HA 0.675 5.014 4.340 -0.001 0.000 0.281 109 L C 0.996 177.798 176.870 -0.113 0.000 1.085 109 L CA 0.506 55.266 54.840 -0.134 0.000 0.813 109 L CB 1.368 43.334 42.059 -0.156 0.000 1.157 109 L HN 0.904 nan 8.230 nan 0.000 0.436 110 G N 1.660 110.408 108.800 -0.088 0.000 2.348 110 G HA2 0.298 4.258 3.960 -0.001 0.000 0.606 110 G HA3 0.298 4.258 3.960 -0.001 0.000 0.606 110 G C -0.903 173.969 174.900 -0.048 0.000 1.466 110 G CA -0.471 44.588 45.100 -0.068 0.000 0.950 110 G HN 0.824 nan 8.290 nan 0.000 0.657 111 A N -0.415 122.385 122.820 -0.034 0.000 2.429 111 A HA 0.995 5.314 4.320 -0.001 0.000 0.242 111 A C 1.417 178.985 177.584 -0.026 0.000 1.088 111 A CA 1.536 53.559 52.037 -0.024 0.000 0.784 111 A CB 0.142 19.132 19.000 -0.016 0.000 1.038 111 A HN 2.965 nan 8.150 nan 0.000 0.501 112 G N -0.202 108.585 108.800 -0.021 0.000 2.742 112 G HA2 0.169 4.128 3.960 -0.001 0.000 0.686 112 G HA3 0.169 4.128 3.960 -0.001 0.000 0.686 112 G C -0.468 174.417 174.900 -0.025 0.000 1.220 112 G CA 0.038 45.123 45.100 -0.025 0.000 0.783 112 G HN 0.730 nan 8.290 nan 0.000 0.646 113 E N 0.097 120.282 120.200 -0.025 0.000 2.474 113 E HA 0.136 4.486 4.350 -0.001 0.000 0.195 113 E C 1.784 178.357 176.600 -0.044 0.000 1.039 113 E CA 0.484 56.868 56.400 -0.025 0.000 0.881 113 E CB 0.590 30.280 29.700 -0.017 0.000 0.970 113 E HN 0.631 nan 8.360 nan 0.000 0.486 114 E N 0.780 120.949 120.200 -0.051 0.000 2.072 114 E HA -0.114 4.235 4.350 -0.001 0.000 0.190 114 E C 1.887 178.440 176.600 -0.078 0.000 0.982 114 E CA 0.882 57.238 56.400 -0.073 0.000 0.803 114 E CB 0.035 29.698 29.700 -0.061 0.000 0.755 114 E HN 0.262 nan 8.360 nan 0.000 0.453 115 A N 1.436 124.221 122.820 -0.059 0.000 1.948 115 A HA -0.268 4.052 4.320 -0.001 0.000 0.220 115 A C 2.005 179.565 177.584 -0.041 0.000 1.177 115 A CA 1.912 53.916 52.037 -0.055 0.000 0.636 115 A CB -0.614 18.356 19.000 -0.051 0.000 0.815 115 A HN 0.412 nan 8.150 nan 0.000 0.449 116 E N -0.773 119.408 120.200 -0.032 0.000 2.110 116 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 116 E C 1.890 178.483 176.600 -0.012 0.000 0.988 116 E CA 1.137 57.532 56.400 -0.009 0.000 0.804 116 E CB -0.162 29.537 29.700 -0.001 0.000 0.745 116 E HN 0.553 nan 8.360 nan 0.000 0.458 117 L N 0.574 121.757 121.223 -0.066 0.000 2.072 117 L HA -0.087 4.252 4.340 -0.001 0.000 0.205 117 L C 2.167 178.957 176.870 -0.132 0.000 1.079 117 L CA 1.104 55.861 54.840 -0.138 0.000 0.752 117 L CB -0.121 41.772 42.059 -0.277 0.000 0.906 117 L HN 0.197 nan 8.230 nan 0.000 0.436 118 I N -0.644 119.858 120.570 -0.113 0.000 2.163 118 I HA -0.338 3.832 4.170 -0.001 0.000 0.243 118 I C 2.540 178.678 176.117 0.034 0.000 1.085 118 I CA 1.281 62.547 61.300 -0.057 0.000 1.347 118 I CB -0.413 37.551 38.000 -0.060 0.000 1.044 118 I HN 0.228 nan 8.210 nan 0.000 0.408 119 R N 0.342 120.866 120.500 0.041 0.000 2.170 119 R HA -0.193 4.146 4.340 -0.001 0.000 0.242 119 R C 2.287 178.691 176.300 0.174 0.000 1.145 119 R CA 1.220 57.387 56.100 0.111 0.000 0.984 119 R CB -0.391 29.973 30.300 0.108 0.000 0.869 119 R HN 0.464 nan 8.270 nan 0.000 0.455 120 L N 0.495 121.802 121.223 0.140 0.000 2.095 120 L HA -0.121 4.219 4.340 -0.001 0.000 0.204 120 L C 2.587 179.565 176.870 0.181 0.000 1.080 120 L CA 1.216 56.154 54.840 0.164 0.000 0.759 120 L CB -0.265 41.912 42.059 0.196 0.000 0.914 120 L HN 0.139 nan 8.230 nan 0.000 0.439 121 R N -0.703 119.921 120.500 0.207 0.000 2.096 121 R HA -0.165 4.174 4.340 -0.001 0.000 0.235 121 R C 2.020 178.435 176.300 0.191 0.000 1.127 121 R CA 2.070 58.295 56.100 0.209 0.000 0.968 121 R CB -0.199 30.216 30.300 0.190 0.000 0.861 121 R HN 0.308 nan 8.270 nan 0.000 0.440 122 T N 0.940 115.617 114.554 0.205 0.000 2.684 122 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 122 T C 1.797 176.629 174.700 0.219 0.000 1.036 122 T CA 1.141 63.380 62.100 0.231 0.000 1.148 122 T CB -0.127 68.885 68.868 0.240 0.000 0.863 122 T HN 0.226 nan 8.240 nan 0.000 0.436 123 R N 0.863 121.483 120.500 0.200 0.000 2.075 123 R HA 0.094 4.433 4.340 -0.001 0.000 0.232 123 R C 2.530 178.843 176.300 0.021 0.000 1.126 123 R CA 0.899 57.051 56.100 0.088 0.000 0.963 123 R CB -1.161 29.160 30.300 0.036 0.000 0.858 123 R HN 0.422 nan 8.270 nan 0.000 0.435 124 L N 0.466 121.696 121.223 0.011 0.000 2.012 124 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 124 L C 2.423 179.250 176.870 -0.072 0.000 1.073 124 L CA 0.845 55.631 54.840 -0.091 0.000 0.748 124 L CB -0.711 41.252 42.059 -0.159 0.000 0.891 124 L HN 0.080 nan 8.230 nan 0.000 0.431 125 L N 0.294 121.524 121.223 0.012 0.000 2.054 125 L HA -0.317 4.023 4.340 -0.001 0.000 0.220 125 L C 2.614 179.493 176.870 0.014 0.000 1.081 125 L CA 2.371 57.232 54.840 0.034 0.000 0.780 125 L CB -0.937 41.175 42.059 0.089 0.000 0.893 125 L HN 0.277 nan 8.230 nan 0.000 0.438 126 A N -1.479 121.355 122.820 0.024 0.000 1.930 126 A HA -0.086 4.234 4.320 -0.001 0.000 0.215 126 A C 1.928 179.493 177.584 -0.031 0.000 1.176 126 A CA 1.231 53.273 52.037 0.008 0.000 0.632 126 A CB -0.323 18.686 19.000 0.016 0.000 0.819 126 A HN 0.574 nan 8.150 nan 0.000 0.445 127 E N -0.354 119.813 120.200 -0.056 0.000 2.442 127 E HA 0.103 4.453 4.350 -0.001 0.000 0.195 127 E C -0.425 176.128 176.600 -0.078 0.000 1.030 127 E CA 0.382 56.740 56.400 -0.070 0.000 0.869 127 E CB 0.172 29.826 29.700 -0.078 0.000 0.857 127 E HN 0.288 nan 8.360 nan 0.000 0.505 128 V N 3.288 123.141 119.914 -0.101 0.000 2.357 128 V HA 0.129 4.249 4.120 -0.001 0.000 0.281 128 V C -2.002 174.051 176.094 -0.068 0.000 1.015 128 V CA -1.301 60.928 62.300 -0.119 0.000 0.827 128 V CB 1.845 33.493 31.823 -0.292 0.000 1.018 128 V HN -0.107 nan 8.190 nan 0.000 0.432 129 P HA -0.080 nan 4.420 nan 0.000 0.219 129 P C 1.707 179.006 177.300 -0.002 0.000 1.150 129 P CA 1.473 64.566 63.100 -0.011 0.000 0.814 129 P CB 0.363 32.063 31.700 -0.001 0.000 0.787 130 A N -0.081 122.743 122.820 0.006 0.000 1.896 130 A HA -0.257 4.062 4.320 -0.001 0.000 0.220 130 A C 2.364 179.959 177.584 0.018 0.000 1.206 130 A CA 2.654 54.708 52.037 0.029 0.000 0.647 130 A CB -1.881 17.161 19.000 0.068 0.000 0.828 130 A HN 0.082 nan 8.150 nan 0.000 0.455 131 V N -0.293 119.597 119.914 -0.040 0.000 2.307 131 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 131 V C 2.679 178.775 176.094 0.004 0.000 1.045 131 V CA 2.350 64.624 62.300 -0.043 0.000 1.024 131 V CB -0.799 30.927 31.823 -0.161 0.000 0.651 131 V HN 0.705 nan 8.190 nan 0.000 0.449 132 R N 0.236 120.732 120.500 -0.007 0.000 2.092 132 R HA -0.122 4.218 4.340 -0.001 0.000 0.231 132 R C 2.321 178.634 176.300 0.021 0.000 1.119 132 R CA 1.497 57.605 56.100 0.012 0.000 0.970 132 R CB -0.497 29.805 30.300 0.003 0.000 0.864 132 R HN 0.457 nan 8.270 nan 0.000 0.440 133 A N 1.545 124.377 122.820 0.019 0.000 1.884 133 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 133 A C 1.568 179.175 177.584 0.038 0.000 1.197 133 A CA 1.531 53.584 52.037 0.027 0.000 0.637 133 A CB -0.587 18.430 19.000 0.027 0.000 0.827 133 A HN 0.421 nan 8.150 nan 0.000 0.450 137 E N 0.918 121.144 120.200 0.043 0.000 2.051 137 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 137 E C 0.561 177.192 176.600 0.051 0.000 0.991 137 E CA 1.168 57.594 56.400 0.043 0.000 0.799 137 E CB -0.059 29.666 29.700 0.043 0.000 0.748 137 E HN 0.473 nan 8.360 nan 0.000 0.449 141 D N 2.370 122.791 120.400 0.035 0.000 2.436 141 D HA 0.151 4.790 4.640 -0.001 0.000 0.229 141 D C 0.548 176.872 176.300 0.040 0.000 1.011 141 D CA 1.849 55.870 54.000 0.036 0.000 1.003 141 D CB -0.280 40.543 40.800 0.037 0.000 0.857 141 D HN 0.538 nan 8.370 nan 0.000 0.514 142 T N -4.135 110.445 114.554 0.043 0.000 2.652 142 T HA 0.222 4.571 4.350 -0.001 0.000 0.220 142 T C 0.704 175.435 174.700 0.051 0.000 2.326 142 T CA -0.055 62.070 62.100 0.043 0.000 0.968 142 T CB -0.482 68.410 68.868 0.039 0.000 2.427 142 T HN -0.052 nan 8.240 nan 0.000 0.334 143 G N -0.580 108.252 108.800 0.055 0.000 2.724 143 G HA2 0.508 4.468 3.960 -0.001 0.000 0.205 143 G HA3 0.508 4.468 3.960 -0.001 0.000 0.205 143 G C 0.292 175.218 174.900 0.043 0.000 1.112 143 G CA 0.955 46.086 45.100 0.052 0.000 0.793 143 G HN 0.852 nan 8.290 nan 0.000 0.526 147 A N 0.872 123.729 122.820 0.061 0.000 1.948 147 A HA -0.223 4.097 4.320 -0.001 0.000 0.220 147 A C 1.975 179.580 177.584 0.035 0.000 1.177 147 A CA 2.123 54.187 52.037 0.045 0.000 0.636 147 A CB -0.551 18.468 19.000 0.031 0.000 0.815 147 A HN 0.516 nan 8.150 nan 0.000 0.449 148 R N -0.969 119.553 120.500 0.036 0.000 2.090 148 R HA -0.007 4.332 4.340 -0.001 0.000 0.228 148 R C 2.399 178.721 176.300 0.036 0.000 1.110 148 R CA 1.049 57.167 56.100 0.029 0.000 0.973 148 R CB -0.348 29.968 30.300 0.027 0.000 0.869 148 R HN 0.523 nan 8.270 nan 0.000 0.440 149 A N 0.834 123.686 122.820 0.054 0.000 2.014 149 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 149 A C 2.023 179.662 177.584 0.093 0.000 1.163 149 A CA 0.840 52.919 52.037 0.070 0.000 0.652 149 A CB -0.253 18.796 19.000 0.081 0.000 0.808 149 A HN 0.151 nan 8.150 nan 0.000 0.449 150 I N -0.427 120.199 120.570 0.093 0.000 2.286 150 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 150 I C 2.945 179.053 176.117 -0.015 0.000 1.104 150 I CA 0.865 62.215 61.300 0.083 0.000 1.397 150 I CB -0.289 37.750 38.000 0.064 0.000 1.072 150 I HN 0.343 nan 8.210 nan 0.000 0.417 151 A N 0.978 123.790 122.820 -0.014 0.000 1.858 151 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 151 A C 1.933 179.506 177.584 -0.019 0.000 1.190 151 A CA 2.114 54.132 52.037 -0.033 0.000 0.617 151 A CB -0.701 18.287 19.000 -0.020 0.000 0.827 151 A HN 0.357 nan 8.150 nan 0.000 0.443 152 D N 0.250 120.654 120.400 0.007 0.000 2.177 152 D HA -0.216 4.423 4.640 -0.001 0.000 0.189 152 D C 1.825 178.133 176.300 0.014 0.000 1.002 152 D CA 1.885 55.893 54.000 0.013 0.000 0.845 152 D CB -0.556 40.260 40.800 0.026 0.000 0.960 152 D HN 0.667 nan 8.370 nan 0.000 0.447 153 R N 0.523 121.045 120.500 0.037 0.000 2.319 153 R HA 0.078 4.417 4.340 -0.001 0.000 0.204 153 R C 1.268 177.568 176.300 0.001 0.000 0.954 153 R CA 0.895 57.027 56.100 0.054 0.000 1.066 153 R CB -0.414 29.966 30.300 0.134 0.000 0.991 153 R HN 0.311 nan 8.270 nan 0.000 0.486 154 T N -4.823 109.687 114.554 -0.072 0.000 2.958 154 T HA 0.269 4.618 4.350 -0.001 0.000 0.256 154 T C 1.429 176.075 174.700 -0.091 0.000 0.983 154 T CA 0.398 62.414 62.100 -0.140 0.000 0.924 154 T CB 0.873 69.581 68.868 -0.268 0.000 1.136 154 T HN 0.297 nan 8.240 nan 0.000 0.506 155 G N 1.466 110.230 108.800 -0.060 0.000 2.205 155 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.261 155 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.261 155 G C 0.006 174.877 174.900 -0.047 0.000 0.980 155 G CA 0.101 45.176 45.100 -0.042 0.000 0.632 155 G HN 0.535 nan 8.290 nan 0.000 0.533 156 L N 1.326 122.508 121.223 -0.068 0.000 2.498 156 L HA 0.268 4.608 4.340 -0.001 0.000 0.293 156 L C 0.935 177.779 176.870 -0.042 0.000 1.271 156 L CA -0.110 54.691 54.840 -0.064 0.000 0.831 156 L CB 0.139 42.144 42.059 -0.090 0.000 1.091 156 L HN 0.351 nan 8.230 nan 0.000 0.535 157 D N 3.639 124.017 120.400 -0.036 0.000 2.412 157 D HA 0.019 4.658 4.640 -0.001 0.000 0.257 157 D C -1.506 174.781 176.300 -0.021 0.000 1.217 157 D CA -1.286 52.700 54.000 -0.025 0.000 0.897 157 D CB 0.890 41.677 40.800 -0.021 0.000 1.132 157 D HN 0.263 nan 8.370 nan 0.000 0.493 158 P HA -0.120 nan 4.420 nan 0.000 0.219 158 P C 0.100 177.399 177.300 -0.002 0.000 1.146 158 P CA 1.022 64.118 63.100 -0.006 0.000 0.808 158 P CB 0.434 32.133 31.700 -0.001 0.000 0.779 159 D N -0.996 119.401 120.400 -0.004 0.000 2.431 159 D HA 0.163 4.802 4.640 -0.001 0.000 0.213 159 D C 1.225 177.523 176.300 -0.004 0.000 1.130 159 D CA 0.069 54.068 54.000 -0.001 0.000 0.834 159 D CB 0.427 41.227 40.800 0.000 0.000 0.985 159 D HN 0.084 nan 8.370 nan 0.000 0.504 160 G N 0.662 109.456 108.800 -0.009 0.000 2.562 160 G HA2 0.200 4.160 3.960 -0.001 0.000 0.275 160 G HA3 0.200 4.160 3.960 -0.001 0.000 0.275 160 G C 0.967 175.861 174.900 -0.011 0.000 1.196 160 G CA -0.494 44.598 45.100 -0.012 0.000 0.908 160 G HN 0.023 nan 8.290 nan 0.000 0.524 161 L N -0.051 121.165 121.223 -0.012 0.000 2.042 161 L HA -0.027 4.312 4.340 -0.001 0.000 0.210 161 L C 2.627 179.489 176.870 -0.014 0.000 1.076 161 L CA 2.008 56.842 54.840 -0.010 0.000 0.749 161 L CB -0.753 41.300 42.059 -0.010 0.000 0.893 161 L HN 0.655 nan 8.230 nan 0.000 0.432 162 E N -1.433 118.753 120.200 -0.024 0.000 2.153 162 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 162 E C 2.256 178.834 176.600 -0.036 0.000 0.988 162 E CA 1.141 57.521 56.400 -0.034 0.000 0.811 162 E CB -0.229 29.442 29.700 -0.049 0.000 0.746 162 E HN 0.313 nan 8.360 nan 0.000 0.466 163 V N -0.040 119.854 119.914 -0.033 0.000 2.788 163 V HA -0.084 4.036 4.120 -0.001 0.000 0.251 163 V C 1.890 177.983 176.094 -0.001 0.000 1.068 163 V CA 1.126 63.408 62.300 -0.030 0.000 1.090 163 V CB -0.096 31.705 31.823 -0.036 0.000 0.710 163 V HN 0.134 nan 8.190 nan 0.000 0.467 164 R N -0.408 120.093 120.500 0.002 0.000 2.073 164 R HA -0.022 4.318 4.340 -0.001 0.000 0.229 164 R C 2.165 178.474 176.300 0.014 0.000 1.120 164 R CA 1.539 57.646 56.100 0.012 0.000 0.967 164 R CB -0.283 30.022 30.300 0.008 0.000 0.862 164 R HN 0.413 nan 8.270 nan 0.000 0.436 165 I N 0.118 120.692 120.570 0.006 0.000 2.099 165 I HA -0.320 3.849 4.170 -0.001 0.000 0.239 165 I C 2.237 178.365 176.117 0.019 0.000 1.066 165 I CA 1.405 62.710 61.300 0.008 0.000 1.324 165 I CB -0.380 37.620 38.000 0.000 0.000 1.037 165 I HN -0.025 nan 8.210 nan 0.000 0.401 166 V N 0.170 120.095 119.914 0.019 0.000 2.252 166 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 166 V C 1.691 177.829 176.094 0.074 0.000 1.056 166 V CA 1.687 64.016 62.300 0.048 0.000 1.022 166 V CB -0.765 31.076 31.823 0.031 0.000 0.641 166 V HN 0.502 nan 8.190 nan 0.000 0.445 170 L N 1.576 122.818 121.223 0.031 0.000 2.145 170 L HA 0.263 4.603 4.340 -0.001 0.000 0.201 170 L C 2.370 179.229 176.870 -0.018 0.000 1.075 170 L CA 1.038 55.889 54.840 0.019 0.000 0.773 170 L CB -0.843 41.246 42.059 0.050 0.000 0.936 170 L HN 0.194 nan 8.230 nan 0.000 0.451 171 V N 1.110 121.012 119.914 -0.020 0.000 2.324 171 V HA -0.252 3.867 4.120 -0.001 0.000 0.250 171 V C 2.531 178.573 176.094 -0.087 0.000 1.060 171 V CA 2.228 64.487 62.300 -0.069 0.000 1.042 171 V CB -1.255 30.545 31.823 -0.038 0.000 0.650 171 V HN 0.604 nan 8.190 nan 0.000 0.450 172 G N -0.754 108.019 108.800 -0.045 0.000 2.551 172 G HA2 0.023 3.983 3.960 -0.001 0.000 0.216 172 G HA3 0.023 3.983 3.960 -0.001 0.000 0.216 172 G C 1.529 176.407 174.900 -0.037 0.000 1.137 172 G CA 0.691 45.768 45.100 -0.039 0.000 0.798 172 G HN 0.578 nan 8.290 nan 0.000 0.536 173 G N 0.960 109.739 108.800 -0.036 0.000 2.402 173 G HA2 0.073 4.032 3.960 -0.001 0.000 0.216 173 G HA3 0.073 4.032 3.960 -0.001 0.000 0.216 173 G C 1.084 175.953 174.900 -0.051 0.000 1.162 173 G CA 0.956 46.033 45.100 -0.038 0.000 0.777 173 G HN 0.509 nan 8.290 nan 0.000 0.539 177 V N 2.474 122.428 119.914 0.067 0.000 2.358 177 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 177 V C 2.587 178.810 176.094 0.214 0.000 1.047 177 V CA 2.610 64.974 62.300 0.107 0.000 1.035 177 V CB -0.544 31.291 31.823 0.021 0.000 0.658 177 V HN 0.399 nan 8.190 nan 0.000 0.452 178 S N 0.300 116.100 115.700 0.165 0.000 2.371 178 S HA -0.161 4.309 4.470 -0.001 0.000 0.224 178 S C 2.101 176.843 174.600 0.236 0.000 1.029 178 S CA 0.767 59.108 58.200 0.235 0.000 0.978 178 S CB -0.392 62.902 63.200 0.157 0.000 0.833 178 S HN 0.516 nan 8.310 nan 0.000 0.466 179 R N -0.367 120.234 120.500 0.168 0.000 2.091 179 R HA -0.096 4.243 4.340 -0.001 0.000 0.238 179 R C 2.188 178.605 176.300 0.196 0.000 1.136 179 R CA 1.716 57.901 56.100 0.141 0.000 0.959 179 R CB -0.881 29.489 30.300 0.116 0.000 0.856 179 R HN 0.613 nan 8.270 nan 0.000 0.437 180 Y N 0.032 120.425 120.300 0.156 0.000 2.220 180 Y HA -0.248 4.302 4.550 -0.001 0.000 0.291 180 Y C 2.292 178.385 175.900 0.322 0.000 1.129 180 Y CA 1.264 59.497 58.100 0.222 0.000 1.161 180 Y CB -0.327 38.209 38.460 0.128 0.000 0.997 180 Y HN 0.096 nan 8.280 nan 0.000 0.522 181 W N 1.010 122.450 121.300 0.234 0.000 2.317 181 W HA -0.325 4.335 4.660 -0.000 0.000 0.318 181 W C 2.445 178.995 176.519 0.051 0.000 1.227 181 W CA 2.822 60.246 57.345 0.132 0.000 1.269 181 W CB -1.003 28.517 29.460 0.099 0.000 1.155 181 W HN 0.116 nan 8.180 nan 0.000 0.484 182 A N 0.054 122.825 122.820 -0.081 0.000 2.024 182 A HA -0.241 4.079 4.320 -0.001 0.000 0.220 182 A C 1.735 179.164 177.584 -0.258 0.000 1.164 182 A CA 2.097 53.947 52.037 -0.312 0.000 0.643 182 A CB -0.705 18.184 19.000 -0.185 0.000 0.806 182 A HN 0.571 nan 8.150 nan 0.000 0.451 183 E N -2.059 118.013 120.200 -0.215 0.000 2.400 183 E HA 0.031 4.380 4.350 -0.001 0.000 0.195 183 E C 0.636 176.892 176.600 -0.572 0.000 1.012 183 E CA 0.723 56.894 56.400 -0.382 0.000 0.875 183 E CB 0.063 29.498 29.700 -0.442 0.000 0.859 183 E HN 0.849 nan 8.360 nan 0.000 0.498 184 H N -0.017 118.933 119.070 -0.200 0.000 2.923 184 H HA 0.021 4.577 4.556 -0.001 0.000 0.268 184 H C 0.724 175.970 175.328 -0.136 0.000 1.148 184 H CA 0.153 56.073 56.048 -0.213 0.000 1.146 184 H CB 0.379 29.943 29.762 -0.330 0.000 1.607 184 H HN 0.152 nan 8.280 nan 0.000 0.566 185 D N 0.582 120.978 120.400 -0.006 0.000 2.191 185 D HA -0.316 4.324 4.640 -0.001 0.000 0.195 185 D C 1.580 177.930 176.300 0.084 0.000 1.003 185 D CA 2.076 56.105 54.000 0.047 0.000 0.867 185 D CB -0.654 39.980 40.800 -0.278 0.000 0.926 185 D HN 0.746 nan 8.370 nan 0.000 0.450 186 H N -1.174 117.907 119.070 0.018 0.000 2.524 186 H HA 0.155 4.710 4.556 -0.001 0.000 0.282 186 H C 1.607 176.974 175.328 0.064 0.000 1.016 186 H CA 1.132 57.196 56.048 0.027 0.000 1.270 186 H CB -0.229 29.526 29.762 -0.013 0.000 1.394 186 H HN 0.556 nan 8.280 nan 0.000 0.568 187 E N 0.095 120.090 120.200 -0.342 0.000 2.500 187 E HA 0.180 4.529 4.350 -0.001 0.000 0.217 187 E C -0.181 176.400 176.600 -0.033 0.000 0.848 187 E CA -0.168 56.114 56.400 -0.198 0.000 1.217 187 E CB 0.685 30.192 29.700 -0.323 0.000 1.217 187 E HN 0.441 nan 8.360 nan 0.000 0.573 188 E N 1.326 121.548 120.200 0.037 0.000 2.308 188 E HA 0.269 4.618 4.350 -0.001 0.000 0.275 188 E C -1.270 175.450 176.600 0.200 0.000 0.890 188 E CA -0.634 55.834 56.400 0.112 0.000 0.754 188 E CB 2.224 32.015 29.700 0.152 0.000 1.207 188 E HN 0.225 nan 8.360 nan 0.000 0.426 189 S N 1.915 117.682 115.700 0.111 0.000 2.669 189 S HA 0.188 4.657 4.470 -0.001 0.000 0.270 189 S C 0.887 175.406 174.600 -0.134 0.000 1.225 189 S CA -0.729 57.507 58.200 0.060 0.000 0.991 189 S CB 1.058 64.256 63.200 -0.004 0.000 0.987 189 S HN 0.517 nan 8.310 nan 0.000 0.552 190 L N 1.386 122.296 121.223 -0.523 0.000 2.046 190 L HA 0.060 4.400 4.340 -0.001 0.000 0.208 190 L C 2.573 179.212 176.870 -0.386 0.000 1.077 190 L CA 2.353 56.698 54.840 -0.825 0.000 0.747 190 L CB -1.878 39.392 42.059 -1.314 0.000 0.896 190 L HN 0.935 nan 8.230 nan 0.000 0.432 191 A N -0.042 122.611 122.820 -0.278 0.000 1.908 191 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 191 A C 2.185 179.697 177.584 -0.121 0.000 1.181 191 A CA 1.958 53.891 52.037 -0.173 0.000 0.627 191 A CB -0.738 18.185 19.000 -0.129 0.000 0.818 191 A HN 0.750 nan 8.150 nan 0.000 0.445 192 E N -0.140 120.006 120.200 -0.091 0.000 2.230 192 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 192 E C 1.879 178.442 176.600 -0.062 0.000 0.987 192 E CA 0.710 57.073 56.400 -0.061 0.000 0.841 192 E CB -0.415 29.266 29.700 -0.032 0.000 0.783 192 E HN 0.579 nan 8.360 nan 0.000 0.481 193 L N 1.134 122.323 121.223 -0.058 0.000 2.017 193 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 193 L C 2.652 179.466 176.870 -0.093 0.000 1.073 193 L CA 0.892 55.695 54.840 -0.061 0.000 0.745 193 L CB -0.476 41.590 42.059 0.011 0.000 0.894 193 L HN 0.056 nan 8.230 nan 0.000 0.432 194 V N 0.044 119.893 119.914 -0.110 0.000 2.324 194 V HA -0.329 3.790 4.120 -0.001 0.000 0.250 194 V C 2.151 178.187 176.094 -0.098 0.000 1.060 194 V CA 1.996 64.230 62.300 -0.110 0.000 1.042 194 V CB -0.542 31.202 31.823 -0.130 0.000 0.650 194 V HN 0.469 nan 8.190 nan 0.000 0.450 195 D N -0.680 119.666 120.400 -0.091 0.000 2.117 195 D HA -0.112 4.528 4.640 -0.001 0.000 0.198 195 D C 2.413 178.667 176.300 -0.076 0.000 0.982 195 D CA 0.945 54.898 54.000 -0.078 0.000 0.828 195 D CB -0.244 40.517 40.800 -0.066 0.000 0.967 195 D HN 0.336 nan 8.370 nan 0.000 0.464 196 R N 0.621 121.070 120.500 -0.085 0.000 2.070 196 R HA -0.069 4.270 4.340 -0.001 0.000 0.233 196 R C 2.274 178.513 176.300 -0.101 0.000 1.137 196 R CA 1.192 57.234 56.100 -0.098 0.000 0.945 196 R CB -0.365 29.856 30.300 -0.132 0.000 0.845 196 R HN 0.094 nan 8.270 nan 0.000 0.430 197 A N 1.357 124.113 122.820 -0.107 0.000 1.873 197 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 197 A C 2.281 179.822 177.584 -0.071 0.000 1.193 197 A CA 1.454 53.435 52.037 -0.093 0.000 0.629 197 A CB -0.741 18.206 19.000 -0.088 0.000 0.826 197 A HN 0.214 nan 8.150 nan 0.000 0.447 198 L N -0.716 120.463 121.223 -0.074 0.000 2.017 198 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 198 L C 2.399 179.241 176.870 -0.046 0.000 1.073 198 L CA 1.653 56.453 54.840 -0.067 0.000 0.745 198 L CB -0.719 41.287 42.059 -0.087 0.000 0.894 198 L HN 0.379 nan 8.230 nan 0.000 0.432 199 D N 0.162 120.533 120.400 -0.049 0.000 2.116 199 D HA -0.222 4.418 4.640 -0.001 0.000 0.193 199 D C 2.165 178.449 176.300 -0.026 0.000 0.998 199 D CA 1.762 55.741 54.000 -0.035 0.000 0.836 199 D CB 0.179 40.954 40.800 -0.041 0.000 0.951 199 D HN 0.353 nan 8.370 nan 0.000 0.449 200 A N 0.563 123.359 122.820 -0.039 0.000 1.902 200 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 200 A C 2.459 180.035 177.584 -0.013 0.000 1.181 200 A CA 0.825 52.842 52.037 -0.033 0.000 0.623 200 A CB -0.704 18.263 19.000 -0.055 0.000 0.818 200 A HN 0.240 nan 8.150 nan 0.000 0.443 201 L N -0.928 120.291 121.223 -0.007 0.000 2.141 201 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 201 L C 2.458 179.361 176.870 0.055 0.000 1.094 201 L CA 1.362 56.215 54.840 0.023 0.000 0.763 201 L CB -0.298 41.778 42.059 0.028 0.000 0.908 201 L HN 0.457 nan 8.230 nan 0.000 0.437 202 E N -0.540 119.689 120.200 0.047 0.000 2.276 202 E HA -0.007 4.343 4.350 -0.001 0.000 0.193 202 E C 0.862 177.493 176.600 0.052 0.000 0.983 202 E CA 0.465 56.911 56.400 0.077 0.000 0.861 202 E CB 0.316 30.060 29.700 0.073 0.000 0.817 202 E HN 0.516 nan 8.360 nan 0.000 0.485 203 N N -0.844 117.870 118.700 0.025 0.000 2.118 203 N HA 0.046 4.786 4.740 -0.001 0.000 0.226 203 N C 1.298 176.811 175.510 0.004 0.000 1.305 203 N CA 0.411 53.469 53.050 0.014 0.000 0.890 203 N CB 0.938 39.429 38.487 0.007 0.000 1.118 203 N HN 0.043 nan 8.380 nan 0.000 0.511 204 G N 1.674 110.474 108.800 0.000 0.000 2.454 204 G HA2 0.006 3.965 3.960 -0.001 0.000 0.214 204 G HA3 0.006 3.965 3.960 -0.001 0.000 0.214 204 G C 0.422 175.318 174.900 -0.007 0.000 1.217 204 G CA 0.346 45.440 45.100 -0.009 0.000 0.799 204 G HN 0.135 nan 8.290 nan 0.000 0.538 205 L N 2.246 123.467 121.223 -0.003 0.000 2.407 205 L HA 0.362 4.701 4.340 -0.001 0.000 0.282 205 L C -2.014 174.856 176.870 0.000 0.000 1.110 205 L CA -0.954 53.885 54.840 -0.002 0.000 0.863 205 L CB -0.153 41.906 42.059 -0.001 0.000 1.207 205 L HN -0.016 nan 8.230 nan 0.000 0.454 206 P HA -0.073 nan 4.420 nan 0.000 0.075 206 P C -0.159 177.140 177.300 -0.003 0.000 0.861 206 P CA 1.510 64.609 63.100 -0.002 0.000 1.017 206 P CB -0.315 31.384 31.700 -0.002 0.000 1.762 207 A N 0.000 122.819 122.820 -0.002 0.000 2.254 207 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 207 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 207 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 207 A HN 0.000 nan 8.150 nan 0.000 0.486