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 2i24_1_N DATA FIRST_RESID 2 DATA SEQUENCE RVDQTPQRIT KETGESLTIN cVVRDSRcVL STGYWYRKPP GSRNEESISD DATA SEQUENCE GGRYVETVNR GSKSFSLRIN DLTVKDSGTY RcKPESRYGS YDAVcAALND DATA SEQUENCE QYGGGTVVTV NAA 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.319 176.300 0.032 0.000 0.893 2 R CA 0.000 56.117 56.100 0.029 0.000 0.921 2 R CB 0.000 30.315 30.300 0.025 0.000 0.687 3 V N 3.519 123.453 119.914 0.034 0.000 2.313 3 V HA 0.326 4.446 4.120 -0.000 0.000 0.278 3 V C -0.885 175.221 176.094 0.019 0.000 1.017 3 V CA -0.694 61.624 62.300 0.030 0.000 0.823 3 V CB 1.457 33.304 31.823 0.039 0.000 1.010 3 V HN 0.586 nan 8.190 nan 0.000 0.443 4 D N 4.191 124.595 120.400 0.006 0.000 2.359 4 D HA 0.275 4.915 4.640 -0.000 0.000 0.230 4 D C -0.093 176.201 176.300 -0.010 0.000 1.118 4 D CA 0.104 54.107 54.000 0.006 0.000 0.844 4 D CB 1.749 42.553 40.800 0.007 0.000 1.059 4 D HN 0.577 nan 8.370 nan 0.000 0.493 5 Q N 1.632 121.437 119.800 0.009 0.000 2.271 5 Q HA 0.511 4.850 4.340 -0.000 0.000 0.258 5 Q C -0.852 175.172 176.000 0.040 0.000 0.936 5 Q CA -0.568 55.250 55.803 0.024 0.000 0.909 5 Q CB 1.049 29.822 28.738 0.058 0.000 1.253 5 Q HN 0.510 nan 8.270 nan 0.000 0.440 6 T N 1.229 115.807 114.554 0.039 0.000 2.903 6 T HA 0.665 5.015 4.350 -0.000 0.000 0.299 6 T C -2.724 171.991 174.700 0.025 0.000 1.093 6 T CA -1.818 60.300 62.100 0.030 0.000 1.002 6 T CB 1.705 70.581 68.868 0.013 0.000 1.127 6 T HN 0.418 nan 8.240 nan 0.000 0.488 7 P HA 0.265 nan 4.420 nan 0.000 0.275 7 P C 0.234 177.555 177.300 0.035 0.000 1.266 7 P CA -0.317 62.793 63.100 0.017 0.000 0.793 7 P CB 1.055 32.757 31.700 0.003 0.000 1.074 8 Q N -0.502 119.318 119.800 0.034 0.000 2.163 8 Q HA 0.051 4.391 4.340 -0.000 0.000 0.198 8 Q C 0.537 176.566 176.000 0.049 0.000 0.954 8 Q CA 1.073 56.903 55.803 0.044 0.000 0.851 8 Q CB 0.207 28.966 28.738 0.036 0.000 0.928 8 Q HN 0.427 nan 8.270 nan 0.000 0.459 9 R N -0.353 120.169 120.500 0.037 0.000 2.668 9 R HA 0.665 5.005 4.340 -0.000 0.000 0.272 9 R C -1.492 174.822 176.300 0.024 0.000 1.019 9 R CA -0.530 55.593 56.100 0.038 0.000 0.894 9 R CB 2.278 32.598 30.300 0.033 0.000 1.228 9 R HN -0.009 nan 8.270 nan 0.000 0.460 10 I N 0.110 120.694 120.570 0.023 0.000 2.785 10 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 10 I C -1.464 174.659 176.117 0.010 0.000 1.446 10 I CA -0.264 61.040 61.300 0.008 0.000 1.028 10 I CB 2.796 40.790 38.000 -0.010 0.000 1.349 10 I HN 0.598 nan 8.210 nan 0.000 0.438 11 T N 5.774 120.330 114.554 0.004 0.000 2.855 11 T HA 0.599 4.949 4.350 -0.000 0.000 0.281 11 T C -0.925 173.771 174.700 -0.007 0.000 1.007 11 T CA -0.439 61.663 62.100 0.004 0.000 1.009 11 T CB 0.805 69.677 68.868 0.006 0.000 0.983 11 T HN 0.466 nan 8.240 nan 0.000 0.455 12 K N 2.804 123.199 120.400 -0.008 0.000 2.444 12 K HA 0.487 4.807 4.320 -0.000 0.000 0.252 12 K C -0.730 175.863 176.600 -0.013 0.000 0.993 12 K CA -0.940 55.337 56.287 -0.018 0.000 0.847 12 K CB 1.812 34.293 32.500 -0.031 0.000 1.340 12 K HN 0.587 nan 8.250 nan 0.000 0.446 13 E N 1.127 121.316 120.200 -0.017 0.000 2.277 13 E HA 0.209 4.559 4.350 -0.000 0.000 0.274 13 E C -0.494 176.095 176.600 -0.019 0.000 1.022 13 E CA -0.395 55.996 56.400 -0.015 0.000 0.853 13 E CB 0.869 30.560 29.700 -0.015 0.000 1.086 13 E HN 0.355 nan 8.360 nan 0.000 0.397 14 T N 1.141 115.687 114.554 -0.014 0.000 2.905 14 T HA 0.250 4.600 4.350 -0.000 0.000 0.299 14 T C 1.193 175.879 174.700 -0.024 0.000 1.024 14 T CA 1.401 63.490 62.100 -0.017 0.000 1.151 14 T CB 0.147 69.008 68.868 -0.011 0.000 0.987 14 T HN 0.707 nan 8.240 nan 0.000 0.535 15 G N 2.958 111.739 108.800 -0.032 0.000 2.217 15 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.246 15 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.246 15 G C 0.112 174.985 174.900 -0.044 0.000 0.990 15 G CA 0.079 45.157 45.100 -0.037 0.000 0.627 15 G HN 0.680 nan 8.290 nan 0.000 0.522 16 E N 0.419 120.592 120.200 -0.045 0.000 2.405 16 E HA 0.581 4.931 4.350 -0.000 0.000 0.253 16 E C -0.018 176.540 176.600 -0.070 0.000 1.257 16 E CA 0.137 56.506 56.400 -0.051 0.000 0.960 16 E CB 0.692 30.365 29.700 -0.045 0.000 1.077 16 E HN 0.226 nan 8.360 nan 0.000 0.512 17 S N 0.193 115.847 115.700 -0.076 0.000 2.578 17 S HA 0.534 5.004 4.470 -0.000 0.000 0.301 17 S C -0.875 173.662 174.600 -0.106 0.000 1.091 17 S CA -0.812 57.328 58.200 -0.100 0.000 1.032 17 S CB 0.864 64.007 63.200 -0.094 0.000 1.064 17 S HN 0.389 nan 8.310 nan 0.000 0.508 18 L N -0.344 120.795 121.223 -0.140 0.000 2.371 18 L HA 0.935 5.275 4.340 -0.000 0.000 0.262 18 L C -0.635 176.124 176.870 -0.185 0.000 1.006 18 L CA -0.353 54.396 54.840 -0.151 0.000 0.818 18 L CB 1.702 43.661 42.059 -0.166 0.000 1.354 18 L HN 0.468 nan 8.230 nan 0.000 0.415 19 T N 2.935 117.389 114.554 -0.167 0.000 2.861 19 T HA 0.761 5.111 4.350 -0.000 0.000 0.287 19 T C -0.418 174.173 174.700 -0.182 0.000 1.003 19 T CA -0.138 61.853 62.100 -0.182 0.000 0.977 19 T CB 1.237 70.030 68.868 -0.125 0.000 0.996 19 T HN 0.567 nan 8.240 nan 0.000 0.448 20 I N 3.107 123.529 120.570 -0.247 0.000 2.509 20 I HA 0.471 4.641 4.170 -0.000 0.000 0.293 20 I C -0.476 175.603 176.117 -0.065 0.000 1.020 20 I CA -1.030 60.177 61.300 -0.155 0.000 1.088 20 I CB 1.914 39.798 38.000 -0.193 0.000 1.267 20 I HN 0.431 nan 8.210 nan 0.000 0.430 21 N N 3.725 122.451 118.700 0.044 0.000 2.269 21 N HA 0.493 5.233 4.740 -0.000 0.000 0.304 21 N C -1.610 173.909 175.510 0.015 0.000 1.072 21 N CA -0.338 52.738 53.050 0.043 0.000 0.802 21 N CB 2.609 41.094 38.487 -0.002 0.000 1.348 21 N HN 0.518 nan 8.380 nan 0.000 0.484 22 c N 1.734 120.227 118.600 -0.178 0.000 2.547 22 c HA 0.696 5.266 4.570 -0.000 0.000 0.313 22 c C -0.532 173.396 174.090 -0.269 0.000 1.191 22 c CA -0.424 55.682 56.329 -0.371 0.000 1.474 22 c CB 0.684 42.593 42.510 -1.002 0.000 2.081 22 c HN 0.489 nan 8.230 nan 0.000 0.476 23 V N 6.638 126.490 119.914 -0.104 0.000 2.789 23 V HA 0.681 4.801 4.120 -0.000 0.000 0.311 23 V C -0.839 175.272 176.094 0.028 0.000 1.073 23 V CA -0.320 61.977 62.300 -0.006 0.000 0.921 23 V CB 2.378 34.205 31.823 0.006 0.000 1.009 23 V HN 0.734 nan 8.190 nan 0.000 0.426 24 V N 7.794 127.750 119.914 0.070 0.000 2.348 24 V HA 0.638 4.757 4.120 -0.000 0.000 0.270 24 V C 0.171 176.293 176.094 0.045 0.000 1.037 24 V CA -0.595 61.744 62.300 0.065 0.000 0.872 24 V CB 1.008 32.881 31.823 0.082 0.000 1.002 24 V HN 0.785 nan 8.190 nan 0.000 0.464 25 R N 2.579 123.100 120.500 0.035 0.000 2.787 25 R HA 0.412 4.752 4.340 -0.000 0.000 0.271 25 R C -0.232 176.084 176.300 0.026 0.000 0.993 25 R CA -0.769 55.348 56.100 0.028 0.000 0.993 25 R CB 1.119 31.433 30.300 0.023 0.000 1.155 25 R HN 0.736 nan 8.270 nan 0.000 0.486 26 D N -0.002 120.412 120.400 0.023 0.000 2.723 26 D HA -0.163 4.477 4.640 -0.000 0.000 0.236 26 D C -0.756 175.557 176.300 0.022 0.000 1.138 26 D CA 1.142 55.154 54.000 0.021 0.000 0.676 26 D CB -0.737 40.074 40.800 0.019 0.000 1.069 26 D HN 0.394 nan 8.370 nan 0.000 0.430 27 S N -0.913 114.802 115.700 0.025 0.000 2.549 27 S HA 0.508 4.978 4.470 -0.000 0.000 0.280 27 S C 0.961 175.578 174.600 0.029 0.000 1.109 27 S CA -0.755 57.461 58.200 0.027 0.000 0.905 27 S CB 1.724 64.943 63.200 0.031 0.000 1.081 27 S HN 0.261 nan 8.310 nan 0.000 0.477 28 R N 1.381 121.899 120.500 0.029 0.000 2.299 28 R HA 0.194 4.533 4.340 -0.000 0.000 0.197 28 R C 0.161 176.487 176.300 0.044 0.000 0.971 28 R CA 0.094 56.213 56.100 0.031 0.000 1.030 28 R CB -1.128 29.187 30.300 0.025 0.000 0.932 28 R HN 0.489 nan 8.270 nan 0.000 0.477 29 c N 1.374 120.003 118.600 0.048 0.000 2.595 29 c HA 0.345 4.915 4.570 -0.000 0.000 0.384 29 c C 0.604 174.732 174.090 0.063 0.000 1.289 29 c CA -0.817 55.549 56.329 0.062 0.000 2.372 29 c CB 1.298 43.836 42.510 0.046 0.000 2.593 29 c HN 0.167 nan 8.230 nan 0.000 0.639 30 V N 3.328 123.291 119.914 0.083 0.000 2.394 30 V HA 0.254 4.373 4.120 -0.000 0.000 0.282 30 V C 0.007 176.092 176.094 -0.014 0.000 1.031 30 V CA -0.341 61.996 62.300 0.061 0.000 0.881 30 V CB 1.236 33.144 31.823 0.140 0.000 0.982 30 V HN 0.647 nan 8.190 nan 0.000 0.451 31 L N 4.506 125.716 121.223 -0.021 0.000 2.360 31 L HA 0.301 4.641 4.340 -0.000 0.000 0.276 31 L C 1.260 178.062 176.870 -0.112 0.000 1.121 31 L CA 1.047 55.849 54.840 -0.064 0.000 0.845 31 L CB 1.497 43.541 42.059 -0.026 0.000 1.143 31 L HN 0.745 nan 8.230 nan 0.000 0.452 32 S N 2.425 118.025 115.700 -0.166 0.000 2.452 32 S HA 0.188 4.658 4.470 -0.000 0.000 0.225 32 S C 0.740 175.211 174.600 -0.214 0.000 1.057 32 S CA 0.807 58.898 58.200 -0.182 0.000 0.949 32 S CB 0.138 63.224 63.200 -0.189 0.000 0.836 32 S HN 0.859 nan 8.310 nan 0.000 0.518 33 T N -1.570 112.791 114.554 -0.323 0.000 2.653 33 T HA 0.604 4.954 4.350 -0.000 0.000 0.306 33 T C -1.282 172.917 174.700 -0.835 0.000 1.426 33 T CA 0.033 61.848 62.100 -0.475 0.000 1.008 33 T CB 1.002 69.614 68.868 -0.427 0.000 1.692 33 T HN 0.548 nan 8.240 nan 0.000 0.483 34 G N -0.110 108.030 108.800 -1.099 0.000 2.692 34 G HA2 0.686 4.645 3.960 -0.000 0.000 0.291 34 G HA3 0.686 4.645 3.960 -0.000 0.000 0.291 34 G C -2.410 171.831 174.900 -1.100 0.000 1.423 34 G CA -0.510 43.674 45.100 -1.527 0.000 0.843 34 G HN 0.568 nan 8.290 nan 0.000 0.486 35 Y N -1.379 118.661 120.300 -0.432 0.000 2.570 35 Y HA 0.753 5.303 4.550 -0.000 0.000 0.345 35 Y C -0.844 174.729 175.900 -0.545 0.000 1.014 35 Y CA -0.775 57.136 58.100 -0.316 0.000 1.063 35 Y CB 2.402 40.717 38.460 -0.243 0.000 1.272 35 Y HN 0.603 nan 8.280 nan 0.000 0.477 36 W N 0.867 122.077 121.300 -0.151 0.000 2.915 36 W HA 0.674 5.334 4.660 -0.000 0.000 0.337 36 W C -1.726 174.499 176.519 -0.490 0.000 1.102 36 W CA -0.820 56.463 57.345 -0.102 0.000 1.224 36 W CB 1.418 30.914 29.460 0.059 0.000 1.416 36 W HN 0.286 nan 8.180 nan 0.000 0.503 37 Y N 0.932 121.484 120.300 0.419 0.000 2.553 37 Y HA 0.635 5.185 4.550 -0.000 0.000 0.347 37 Y C -0.240 175.726 175.900 0.110 0.000 1.019 37 Y CA -1.630 56.600 58.100 0.217 0.000 1.032 37 Y CB 2.389 40.944 38.460 0.158 0.000 1.284 37 Y HN 0.294 nan 8.280 nan 0.000 0.466 38 R N 2.080 122.627 120.500 0.078 0.000 2.628 38 R HA 0.486 4.826 4.340 -0.000 0.000 0.288 38 R C -1.615 174.613 176.300 -0.119 0.000 0.980 38 R CA -0.945 55.005 56.100 -0.250 0.000 0.891 38 R CB 1.645 31.643 30.300 -0.503 0.000 1.188 38 R HN 0.780 nan 8.270 nan 0.000 0.450 39 K N 6.001 126.318 120.400 -0.138 0.000 2.265 39 K HA 0.433 4.753 4.320 -0.000 0.000 0.267 39 K C -2.297 174.251 176.600 -0.087 0.000 0.994 39 K CA -2.143 54.096 56.287 -0.081 0.000 0.860 39 K CB 1.463 33.930 32.500 -0.056 0.000 1.099 39 K HN 0.337 nan 8.250 nan 0.000 0.448 40 P HA 0.140 nan 4.420 nan 0.000 0.272 40 P C -2.637 174.652 177.300 -0.018 0.000 1.240 40 P CA -1.395 61.684 63.100 -0.035 0.000 0.791 40 P CB -0.316 31.374 31.700 -0.017 0.000 0.978 41 P HA 0.047 nan 4.420 nan 0.000 0.265 41 P C 1.048 178.348 177.300 0.001 0.000 1.193 41 P CA 1.312 64.415 63.100 0.005 0.000 0.765 41 P CB -0.265 31.444 31.700 0.015 0.000 0.823 42 G N 1.209 110.009 108.800 -0.000 0.000 2.162 42 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 42 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 42 G C 0.373 175.269 174.900 -0.007 0.000 0.976 42 G CA 0.375 45.474 45.100 -0.002 0.000 0.655 42 G HN 0.793 nan 8.290 nan 0.000 0.533 43 S N -1.517 114.176 115.700 -0.012 0.000 2.607 43 S HA 0.706 5.176 4.470 -0.000 0.000 0.303 43 S C 1.344 175.930 174.600 -0.023 0.000 1.086 43 S CA -0.375 57.815 58.200 -0.017 0.000 0.995 43 S CB 1.290 64.480 63.200 -0.018 0.000 1.084 43 S HN 0.304 nan 8.310 nan 0.000 0.507 44 R N 1.364 121.848 120.500 -0.028 0.000 2.246 44 R HA 0.175 4.514 4.340 -0.000 0.000 0.199 44 R C -0.213 176.058 176.300 -0.049 0.000 0.984 44 R CA 0.369 56.446 56.100 -0.038 0.000 1.015 44 R CB -0.082 30.195 30.300 -0.038 0.000 0.930 44 R HN 0.573 nan 8.270 nan 0.000 0.475 45 N N 1.323 119.999 118.700 -0.040 0.000 2.422 45 N HA 0.088 4.827 4.740 -0.000 0.000 0.266 45 N C -1.036 174.451 175.510 -0.039 0.000 1.007 45 N CA -0.223 52.801 53.050 -0.043 0.000 0.941 45 N CB 1.479 39.947 38.487 -0.030 0.000 1.115 45 N HN 0.011 nan 8.380 nan 0.000 0.492 46 E N 1.486 121.657 120.200 -0.048 0.000 2.242 46 E HA 0.254 4.604 4.350 -0.000 0.000 0.275 46 E C -0.705 175.915 176.600 0.033 0.000 1.002 46 E CA -0.402 55.989 56.400 -0.016 0.000 0.841 46 E CB 1.085 30.749 29.700 -0.060 0.000 1.109 46 E HN 0.482 nan 8.360 nan 0.000 0.394 47 E N 0.587 120.846 120.200 0.098 0.000 2.392 47 E HA 0.243 4.593 4.350 -0.000 0.000 0.269 47 E C -1.047 175.701 176.600 0.247 0.000 0.924 47 E CA -0.836 55.653 56.400 0.149 0.000 0.784 47 E CB 1.854 31.595 29.700 0.067 0.000 1.292 47 E HN 0.532 nan 8.360 nan 0.000 0.447 48 S N 0.787 116.624 115.700 0.228 0.000 2.585 48 S HA 0.370 4.840 4.470 -0.000 0.000 0.273 48 S C 0.099 174.682 174.600 -0.029 0.000 1.339 48 S CA -0.446 57.797 58.200 0.073 0.000 1.028 48 S CB 0.259 63.488 63.200 0.047 0.000 0.906 48 S HN 0.376 nan 8.310 nan 0.000 0.528 49 I N 2.101 122.613 120.570 -0.096 0.000 2.525 49 I HA 0.458 4.628 4.170 -0.000 0.000 0.301 49 I C 0.090 176.114 176.117 -0.154 0.000 0.992 49 I CA -0.551 60.638 61.300 -0.186 0.000 1.162 49 I CB 2.220 40.144 38.000 -0.127 0.000 1.332 49 I HN 0.891 nan 8.210 nan 0.000 0.458 50 S N 1.708 117.261 115.700 -0.245 0.000 2.542 50 S HA 0.406 4.876 4.470 -0.000 0.000 0.293 50 S C -0.939 173.606 174.600 -0.090 0.000 1.089 50 S CA -1.015 57.125 58.200 -0.099 0.000 0.961 50 S CB 1.801 64.966 63.200 -0.058 0.000 1.062 50 S HN 0.635 nan 8.310 nan 0.000 0.483 51 D N 0.667 121.075 120.400 0.014 0.000 2.488 51 D HA 0.459 5.098 4.640 -0.000 0.000 0.238 51 D C 0.455 176.796 176.300 0.068 0.000 1.138 51 D CA 1.807 55.844 54.000 0.061 0.000 0.873 51 D CB 0.078 40.908 40.800 0.051 0.000 1.183 51 D HN 1.133 nan 8.370 nan 0.000 0.458 52 G N 1.193 110.062 108.800 0.115 0.000 2.306 52 G HA2 0.528 4.488 3.960 -0.000 0.000 0.340 52 G HA3 0.528 4.488 3.960 -0.000 0.000 0.340 52 G C 0.337 175.330 174.900 0.154 0.000 1.630 52 G CA -0.237 44.925 45.100 0.104 0.000 0.937 52 G HN 1.188 nan 8.290 nan 0.000 0.693 53 G N 1.340 110.194 108.800 0.090 0.000 2.565 53 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.295 53 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.295 53 G C 1.315 176.225 174.900 0.017 0.000 1.165 53 G CA 1.212 46.350 45.100 0.064 0.000 0.977 53 G HN 1.354 nan 8.290 nan 0.000 0.546 54 R N -0.265 120.202 120.500 -0.055 0.000 2.237 54 R HA 0.092 4.432 4.340 -0.000 0.000 0.219 54 R C 0.265 176.383 176.300 -0.303 0.000 1.080 54 R CA 0.836 56.796 56.100 -0.232 0.000 0.995 54 R CB -0.074 29.988 30.300 -0.397 0.000 0.875 54 R HN 0.443 nan 8.270 nan 0.000 0.462 55 Y N -0.000 120.277 120.300 -0.038 0.000 2.341 55 Y HA 0.288 4.838 4.550 -0.000 0.000 0.340 55 Y C -0.110 175.752 175.900 -0.063 0.000 0.997 55 Y CA -0.778 57.285 58.100 -0.062 0.000 1.149 55 Y CB 1.523 39.960 38.460 -0.038 0.000 1.171 55 Y HN -0.331 nan 8.280 nan 0.000 0.494 56 V N 4.143 124.076 119.914 0.031 0.000 2.443 56 V HA 0.319 4.439 4.120 -0.000 0.000 0.293 56 V C -0.408 175.671 176.094 -0.025 0.000 1.021 56 V CA -1.138 61.163 62.300 0.001 0.000 0.848 56 V CB 1.370 33.176 31.823 -0.029 0.000 0.998 56 V HN 0.728 nan 8.190 nan 0.000 0.424 57 E N 2.293 122.500 120.200 0.013 0.000 2.214 57 E HA 0.676 5.026 4.350 -0.000 0.000 0.274 57 E C -0.747 175.889 176.600 0.060 0.000 0.977 57 E CA -0.522 55.904 56.400 0.043 0.000 0.827 57 E CB 2.050 31.812 29.700 0.104 0.000 1.130 57 E HN 0.641 nan 8.360 nan 0.000 0.394 58 T N 1.336 115.951 114.554 0.101 0.000 2.881 58 T HA 0.378 4.728 4.350 -0.000 0.000 0.290 58 T C -0.840 173.953 174.700 0.155 0.000 1.000 58 T CA -0.607 61.548 62.100 0.091 0.000 0.978 58 T CB 1.322 70.226 68.868 0.060 0.000 0.997 58 T HN 0.114 nan 8.240 nan 0.000 0.443 59 V N 3.707 123.685 119.914 0.107 0.000 2.540 59 V HA 0.574 4.694 4.120 -0.000 0.000 0.302 59 V C -0.293 175.846 176.094 0.074 0.000 1.035 59 V CA -0.939 61.427 62.300 0.110 0.000 0.873 59 V CB 1.874 33.706 31.823 0.015 0.000 0.992 59 V HN 0.814 nan 8.190 nan 0.000 0.428 60 N N 3.653 122.409 118.700 0.092 0.000 2.696 60 N HA 0.271 5.011 4.740 -0.000 0.000 0.246 60 N C 0.906 176.448 175.510 0.053 0.000 1.057 60 N CA -0.433 52.653 53.050 0.061 0.000 0.867 60 N CB 1.298 39.822 38.487 0.062 0.000 1.141 60 N HN 0.700 nan 8.380 nan 0.000 0.517 61 R N 2.284 122.801 120.500 0.027 0.000 2.091 61 R HA -0.080 4.260 4.340 -0.000 0.000 0.238 61 R C 1.606 177.923 176.300 0.027 0.000 1.136 61 R CA 2.129 58.239 56.100 0.017 0.000 0.959 61 R CB -0.380 29.919 30.300 -0.001 0.000 0.856 61 R HN 0.540 nan 8.270 nan 0.000 0.437 62 G N -0.442 108.374 108.800 0.027 0.000 2.422 62 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 62 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 62 G C 1.314 176.233 174.900 0.032 0.000 1.146 62 G CA 0.948 46.064 45.100 0.027 0.000 0.769 62 G HN 0.533 nan 8.290 nan 0.000 0.547 63 S N -0.525 115.198 115.700 0.037 0.000 2.575 63 S HA 0.209 4.679 4.470 -0.000 0.000 0.215 63 S C 0.896 175.528 174.600 0.053 0.000 0.966 63 S CA 0.434 58.658 58.200 0.040 0.000 0.911 63 S CB -0.015 63.207 63.200 0.038 0.000 0.780 63 S HN 0.449 nan 8.310 nan 0.000 0.514 64 K N 1.312 121.749 120.400 0.062 0.000 3.077 64 K HA -0.155 4.164 4.320 -0.000 0.000 0.264 64 K C -0.157 176.523 176.600 0.134 0.000 1.008 64 K CA 0.793 57.131 56.287 0.084 0.000 0.740 64 K CB -2.565 29.976 32.500 0.067 0.000 1.273 64 K HN 0.765 nan 8.250 nan 0.000 0.477 65 S N 0.138 115.929 115.700 0.152 0.000 2.599 65 S HA 0.879 5.349 4.470 -0.000 0.000 0.294 65 S C -0.511 174.279 174.600 0.317 0.000 1.094 65 S CA -0.982 57.326 58.200 0.180 0.000 0.931 65 S CB 1.971 65.223 63.200 0.087 0.000 1.093 65 S HN 0.456 nan 8.310 nan 0.000 0.488 66 F N -1.504 118.498 119.950 0.087 0.000 2.654 66 F HA 0.887 5.414 4.527 -0.000 0.000 0.308 66 F C -0.986 175.001 175.800 0.312 0.000 1.108 66 F CA -0.821 57.268 58.000 0.150 0.000 0.957 66 F CB 1.252 40.314 39.000 0.103 0.000 1.309 66 F HN 0.614 nan 8.300 nan 0.000 0.446 67 S N 2.072 118.000 115.700 0.380 0.000 2.564 67 S HA 0.768 5.238 4.470 -0.000 0.000 0.274 67 S C -1.998 172.580 174.600 -0.036 0.000 1.124 67 S CA -0.651 57.654 58.200 0.175 0.000 0.869 67 S CB 2.106 65.327 63.200 0.036 0.000 1.105 67 S HN 0.903 nan 8.310 nan 0.000 0.472 68 L N 2.375 123.268 121.223 -0.549 0.000 2.356 68 L HA 0.649 4.989 4.340 -0.000 0.000 0.277 68 L C -0.431 176.162 176.870 -0.462 0.000 0.996 68 L CA -0.365 54.014 54.840 -0.769 0.000 0.822 68 L CB 1.329 42.392 42.059 -1.659 0.000 1.256 68 L HN 0.743 nan 8.230 nan 0.000 0.413 69 R N 5.498 125.830 120.500 -0.280 0.000 2.393 69 R HA 0.697 5.037 4.340 -0.000 0.000 0.310 69 R C -1.435 174.741 176.300 -0.206 0.000 0.968 69 R CA -0.598 55.373 56.100 -0.216 0.000 0.867 69 R CB 1.032 31.247 30.300 -0.142 0.000 1.124 69 R HN 0.767 nan 8.270 nan 0.000 0.450 70 I N 4.151 124.580 120.570 -0.235 0.000 2.382 70 I HA 0.287 4.456 4.170 -0.000 0.000 0.286 70 I C -0.396 175.580 176.117 -0.235 0.000 1.002 70 I CA -1.029 60.100 61.300 -0.285 0.000 1.135 70 I CB 1.682 39.502 38.000 -0.299 0.000 1.288 70 I HN 0.520 nan 8.210 nan 0.000 0.448 71 N N 4.785 123.345 118.700 -0.234 0.000 2.495 71 N HA 0.171 4.911 4.740 -0.000 0.000 0.280 71 N C -0.341 175.070 175.510 -0.164 0.000 1.168 71 N CA -0.224 52.726 53.050 -0.167 0.000 0.978 71 N CB 0.779 39.187 38.487 -0.132 0.000 1.191 71 N HN 0.521 nan 8.380 nan 0.000 0.497 72 D N 0.349 120.681 120.400 -0.114 0.000 2.697 72 D HA -0.183 4.457 4.640 -0.000 0.000 0.238 72 D C -0.226 176.018 176.300 -0.094 0.000 1.152 72 D CA 0.571 54.516 54.000 -0.092 0.000 0.666 72 D CB -1.119 39.631 40.800 -0.083 0.000 1.037 72 D HN 0.394 nan 8.370 nan 0.000 0.423 73 L N 0.156 121.327 121.223 -0.087 0.000 2.483 73 L HA 0.183 4.523 4.340 -0.000 0.000 0.276 73 L C 1.645 178.492 176.870 -0.038 0.000 1.213 73 L CA 0.766 55.565 54.840 -0.069 0.000 0.843 73 L CB 0.614 42.637 42.059 -0.060 0.000 1.107 73 L HN 0.282 nan 8.230 nan 0.000 0.487 74 T N -2.051 112.492 114.554 -0.018 0.000 2.838 74 T HA 0.320 4.670 4.350 -0.000 0.000 0.292 74 T C 0.985 175.695 174.700 0.017 0.000 1.113 74 T CA -0.236 61.863 62.100 -0.002 0.000 1.008 74 T CB 1.276 70.145 68.868 0.000 0.000 1.259 74 T HN 0.332 nan 8.240 nan 0.000 0.520 75 V N -0.306 119.619 119.914 0.018 0.000 2.546 75 V HA -0.104 4.015 4.120 -0.000 0.000 0.254 75 V C 2.194 178.312 176.094 0.041 0.000 1.076 75 V CA 1.579 63.895 62.300 0.028 0.000 1.087 75 V CB -1.381 30.454 31.823 0.021 0.000 0.674 75 V HN 0.896 nan 8.190 nan 0.000 0.470 76 K N 0.507 120.932 120.400 0.042 0.000 2.360 76 K HA -0.098 4.222 4.320 -0.000 0.000 0.201 76 K C 1.528 178.180 176.600 0.086 0.000 1.046 76 K CA 1.443 57.762 56.287 0.054 0.000 0.945 76 K CB -0.260 32.271 32.500 0.051 0.000 0.750 76 K HN 0.579 nan 8.250 nan 0.000 0.464 77 D N 0.628 121.089 120.400 0.101 0.000 2.349 77 D HA 0.014 4.654 4.640 -0.000 0.000 0.215 77 D C 0.054 176.491 176.300 0.227 0.000 1.016 77 D CA 0.305 54.414 54.000 0.181 0.000 0.870 77 D CB 0.286 41.169 40.800 0.139 0.000 0.917 77 D HN -0.036 nan 8.370 nan 0.000 0.524 78 S N 0.244 116.027 115.700 0.139 0.000 2.563 78 S HA 0.441 4.911 4.470 -0.000 0.000 0.284 78 S C 0.819 175.488 174.600 0.115 0.000 1.331 78 S CA 0.217 58.498 58.200 0.135 0.000 1.047 78 S CB 1.380 64.627 63.200 0.077 0.000 0.859 78 S HN 0.462 nan 8.310 nan 0.000 0.514 79 G N 1.199 110.076 108.800 0.128 0.000 2.356 79 G HA2 0.309 4.269 3.960 -0.000 0.000 0.288 79 G HA3 0.309 4.269 3.960 -0.000 0.000 0.288 79 G C -1.377 173.568 174.900 0.075 0.000 1.302 79 G CA -0.910 44.203 45.100 0.022 0.000 0.887 79 G HN 0.637 nan 8.290 nan 0.000 0.521 80 T N 0.949 115.495 114.554 -0.013 0.000 2.770 80 T HA 0.633 4.983 4.350 -0.000 0.000 0.283 80 T C -1.183 173.532 174.700 0.024 0.000 0.988 80 T CA 0.024 62.174 62.100 0.083 0.000 0.957 80 T CB 0.822 69.723 68.868 0.054 0.000 0.930 80 T HN 0.382 nan 8.240 nan 0.000 0.443 81 Y N 2.034 122.427 120.300 0.154 0.000 2.387 81 Y HA 0.631 5.181 4.550 -0.000 0.000 0.336 81 Y C 0.941 177.009 175.900 0.280 0.000 1.067 81 Y CA -1.016 57.230 58.100 0.243 0.000 1.114 81 Y CB 1.311 39.928 38.460 0.262 0.000 1.208 81 Y HN 0.332 nan 8.280 nan 0.000 0.458 82 R N 1.420 122.209 120.500 0.483 0.000 2.744 82 R HA 0.664 5.003 4.340 -0.000 0.000 0.279 82 R C -1.247 175.280 176.300 0.378 0.000 0.977 82 R CA -0.845 55.492 56.100 0.395 0.000 0.906 82 R CB 1.734 32.218 30.300 0.307 0.000 1.197 82 R HN 0.898 nan 8.270 nan 0.000 0.463 83 c N 0.147 118.765 118.600 0.031 0.000 2.358 83 c HA 0.738 5.308 4.570 -0.000 0.000 0.354 83 c C -0.209 173.894 174.090 0.022 0.000 1.183 83 c CA -0.858 55.207 56.329 -0.439 0.000 2.150 83 c CB 0.831 42.682 42.510 -1.098 0.000 2.361 83 c HN 0.842 nan 8.230 nan 0.000 0.535 84 K N 2.545 122.976 120.400 0.052 0.000 2.601 84 K HA 0.545 4.865 4.320 -0.000 0.000 0.249 84 K C -2.907 173.686 176.600 -0.012 0.000 0.966 84 K CA -1.090 55.190 56.287 -0.011 0.000 0.827 84 K CB 2.281 34.746 32.500 -0.059 0.000 1.178 84 K HN 0.623 nan 8.250 nan 0.000 0.437 85 P HA 0.134 nan 4.420 nan 0.000 0.276 85 P C -1.307 175.887 177.300 -0.176 0.000 1.252 85 P CA -0.257 62.694 63.100 -0.248 0.000 0.802 85 P CB 1.009 32.695 31.700 -0.023 0.000 1.035 86 E N 0.486 120.544 120.200 -0.236 0.000 2.218 86 E HA 0.340 4.690 4.350 -0.000 0.000 0.263 86 E C -0.487 176.039 176.600 -0.123 0.000 0.879 86 E CA -0.698 55.640 56.400 -0.103 0.000 0.762 86 E CB 1.213 30.904 29.700 -0.014 0.000 1.166 86 E HN 0.424 nan 8.360 nan 0.000 0.415 87 S N 3.274 118.930 115.700 -0.074 0.000 2.603 87 S HA 0.187 4.657 4.470 -0.000 0.000 0.268 87 S C 0.888 175.419 174.600 -0.116 0.000 1.317 87 S CA -0.604 57.556 58.200 -0.068 0.000 1.012 87 S CB 1.920 65.112 63.200 -0.013 0.000 0.926 87 S HN 0.687 nan 8.310 nan 0.000 0.539 88 R N 0.656 121.037 120.500 -0.198 0.000 2.127 88 R HA 0.142 4.482 4.340 -0.000 0.000 0.217 88 R C 0.020 176.022 176.300 -0.497 0.000 1.074 88 R CA 1.294 57.128 56.100 -0.444 0.000 0.991 88 R CB -0.492 29.369 30.300 -0.731 0.000 0.895 88 R HN 0.830 nan 8.270 nan 0.000 0.450 89 Y N -1.268 119.082 120.300 0.082 0.000 2.713 89 Y HA 0.408 4.958 4.550 -0.000 0.000 0.269 89 Y C 1.466 177.481 175.900 0.192 0.000 1.106 89 Y CA -0.292 57.920 58.100 0.186 0.000 1.174 89 Y CB 0.524 39.045 38.460 0.101 0.000 1.186 89 Y HN 0.115 nan 8.280 nan 0.000 0.555 90 G N -0.327 108.578 108.800 0.174 0.000 2.462 90 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 90 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 90 G C 1.706 176.658 174.900 0.087 0.000 1.121 90 G CA 1.321 46.487 45.100 0.110 0.000 0.758 90 G HN 0.359 nan 8.290 nan 0.000 0.559 91 S N -0.392 115.343 115.700 0.059 0.000 2.442 91 S HA -0.047 4.423 4.470 -0.000 0.000 0.236 91 S C 1.624 176.119 174.600 -0.176 0.000 1.007 91 S CA 0.785 58.922 58.200 -0.103 0.000 0.965 91 S CB -0.275 62.784 63.200 -0.234 0.000 0.773 91 S HN 0.610 nan 8.310 nan 0.000 0.504 92 Y N 0.311 120.651 120.300 0.067 0.000 2.458 92 Y HA 0.338 4.888 4.550 -0.000 0.000 0.254 92 Y C 0.395 176.315 175.900 0.033 0.000 1.120 92 Y CA -0.367 57.761 58.100 0.046 0.000 1.282 92 Y CB 0.654 39.141 38.460 0.045 0.000 1.109 92 Y HN 0.067 nan 8.280 nan 0.000 0.526 93 D N -0.337 120.171 120.400 0.180 0.000 2.478 93 D HA 0.359 4.999 4.640 -0.000 0.000 0.240 93 D C 0.497 176.842 176.300 0.075 0.000 1.364 93 D CA -0.017 54.053 54.000 0.117 0.000 0.987 93 D CB 1.481 42.359 40.800 0.129 0.000 1.328 93 D HN 0.070 nan 8.370 nan 0.000 0.584 94 A N 2.823 125.673 122.820 0.049 0.000 1.972 94 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 94 A C 2.090 179.691 177.584 0.028 0.000 1.169 94 A CA 1.463 53.519 52.037 0.031 0.000 0.635 94 A CB -0.252 18.760 19.000 0.021 0.000 0.810 94 A HN 0.467 nan 8.150 nan 0.000 0.446 95 V N -0.941 118.992 119.914 0.032 0.000 2.332 95 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 95 V C 2.551 178.663 176.094 0.030 0.000 1.055 95 V CA 2.169 64.486 62.300 0.028 0.000 1.038 95 V CB -0.990 30.850 31.823 0.028 0.000 0.651 95 V HN 0.717 nan 8.190 nan 0.000 0.450 96 c N -0.032 118.595 118.600 0.044 0.000 2.464 96 c HA 0.135 4.705 4.570 -0.000 0.000 0.278 96 c C 3.018 177.127 174.090 0.032 0.000 1.375 96 c CA 0.199 56.555 56.329 0.045 0.000 1.761 96 c CB -1.252 41.303 42.510 0.075 0.000 1.944 96 c HN 0.620 nan 8.230 nan 0.000 0.509 97 A N 0.933 123.772 122.820 0.032 0.000 1.940 97 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 97 A C 2.340 179.924 177.584 -0.001 0.000 1.176 97 A CA 1.990 54.035 52.037 0.013 0.000 0.631 97 A CB -0.723 18.283 19.000 0.010 0.000 0.814 97 A HN 0.570 nan 8.150 nan 0.000 0.446 98 A N -0.754 122.068 122.820 0.003 0.000 2.067 98 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 98 A C 2.014 179.590 177.584 -0.013 0.000 1.158 98 A CA 1.459 53.494 52.037 -0.003 0.000 0.661 98 A CB -0.499 18.504 19.000 0.006 0.000 0.801 98 A HN 0.637 nan 8.150 nan 0.000 0.452 99 L N 0.505 121.723 121.223 -0.009 0.000 2.127 99 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 99 L C 1.483 178.322 176.870 -0.053 0.000 1.089 99 L CA 2.013 56.841 54.840 -0.019 0.000 0.757 99 L CB -0.689 41.367 42.059 -0.006 0.000 0.899 99 L HN 0.336 nan 8.230 nan 0.000 0.434 100 N N -0.058 118.610 118.700 -0.053 0.000 2.519 100 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 100 N C 0.674 176.101 175.510 -0.138 0.000 1.062 100 N CA 1.156 54.160 53.050 -0.077 0.000 0.910 100 N CB -0.286 38.171 38.487 -0.050 0.000 0.958 100 N HN 0.480 nan 8.380 nan 0.000 0.445 101 D N -0.190 120.136 120.400 -0.124 0.000 2.395 101 D HA 0.002 4.642 4.640 -0.000 0.000 0.213 101 D C 0.009 176.202 176.300 -0.178 0.000 1.110 101 D CA 0.087 53.996 54.000 -0.153 0.000 0.835 101 D CB 0.327 41.103 40.800 -0.041 0.000 0.965 101 D HN 0.265 nan 8.370 nan 0.000 0.505 102 Q N 0.832 120.523 119.800 -0.180 0.000 2.390 102 Q HA 0.197 4.537 4.340 -0.000 0.000 0.249 102 Q C -1.077 174.840 176.000 -0.137 0.000 0.996 102 Q CA -0.461 55.295 55.803 -0.079 0.000 0.899 102 Q CB 0.469 29.195 28.738 -0.020 0.000 1.216 102 Q HN -0.002 nan 8.270 nan 0.000 0.465 103 Y N 1.104 121.417 120.300 0.021 0.000 2.307 103 Y HA 0.449 4.999 4.550 -0.000 0.000 0.324 103 Y C 1.190 177.104 175.900 0.024 0.000 1.238 103 Y CA -0.034 58.083 58.100 0.029 0.000 1.280 103 Y CB 1.059 39.527 38.460 0.013 0.000 1.248 103 Y HN 0.717 nan 8.280 nan 0.000 0.508 104 G N 0.141 109.042 108.800 0.168 0.000 2.699 104 G HA2 0.269 4.228 3.960 -0.000 0.000 0.246 104 G HA3 0.269 4.228 3.960 -0.000 0.000 0.246 104 G C 1.039 176.014 174.900 0.125 0.000 1.219 104 G CA -0.169 44.992 45.100 0.102 0.000 0.866 104 G HN 0.937 nan 8.290 nan 0.000 0.572 105 G N -1.272 107.581 108.800 0.089 0.000 2.744 105 G HA2 0.486 4.446 3.960 -0.000 0.000 0.211 105 G HA3 0.486 4.446 3.960 -0.000 0.000 0.211 105 G C 0.967 175.917 174.900 0.084 0.000 1.143 105 G CA 0.921 46.067 45.100 0.076 0.000 0.788 105 G HN 1.977 nan 8.290 nan 0.000 0.534 106 G N -1.863 107.007 108.800 0.117 0.000 2.629 106 G HA2 0.195 4.155 3.960 -0.000 0.000 0.686 106 G HA3 0.195 4.155 3.960 -0.000 0.000 0.686 106 G C -0.651 174.339 174.900 0.149 0.000 1.232 106 G CA -0.411 44.778 45.100 0.148 0.000 0.803 106 G HN 0.642 nan 8.290 nan 0.000 0.638 107 T N 0.528 115.201 114.554 0.198 0.000 2.881 107 T HA 0.544 4.894 4.350 -0.000 0.000 0.291 107 T C 0.118 174.935 174.700 0.194 0.000 0.990 107 T CA -0.463 61.737 62.100 0.167 0.000 0.976 107 T CB 1.844 70.804 68.868 0.152 0.000 0.970 107 T HN 1.046 nan 8.240 nan 0.000 0.438 108 V N 4.331 124.323 119.914 0.131 0.000 2.368 108 V HA 0.352 4.472 4.120 -0.000 0.000 0.266 108 V C 0.091 176.256 176.094 0.119 0.000 1.045 108 V CA -0.524 61.851 62.300 0.126 0.000 0.899 108 V CB 0.949 32.819 31.823 0.079 0.000 1.006 108 V HN 0.683 nan 8.190 nan 0.000 0.470 109 V N 4.498 124.511 119.914 0.166 0.000 2.459 109 V HA 0.521 4.641 4.120 -0.000 0.000 0.295 109 V C 0.226 176.386 176.094 0.110 0.000 1.029 109 V CA -0.263 62.116 62.300 0.131 0.000 0.874 109 V CB 2.122 34.056 31.823 0.185 0.000 0.985 109 V HN 0.911 nan 8.190 nan 0.000 0.438 110 T N 4.149 118.742 114.554 0.066 0.000 2.812 110 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 110 T C -0.482 174.240 174.700 0.036 0.000 0.990 110 T CA -0.399 61.732 62.100 0.052 0.000 0.960 110 T CB 1.628 70.519 68.868 0.037 0.000 0.948 110 T HN 0.323 nan 8.240 nan 0.000 0.438 111 V N 4.628 124.564 119.914 0.037 0.000 2.370 111 V HA 0.346 4.466 4.120 -0.000 0.000 0.283 111 V C 0.321 176.425 176.094 0.016 0.000 1.023 111 V CA -1.142 61.170 62.300 0.020 0.000 0.857 111 V CB 1.160 32.996 31.823 0.021 0.000 0.985 111 V HN 0.760 nan 8.190 nan 0.000 0.443 112 N N 2.874 121.579 118.700 0.008 0.000 2.479 112 N HA 0.350 5.090 4.740 -0.000 0.000 0.257 112 N C 0.373 175.886 175.510 0.005 0.000 1.232 112 N CA 0.020 53.074 53.050 0.006 0.000 0.920 112 N CB 1.323 39.811 38.487 0.003 0.000 1.105 112 N HN 0.868 nan 8.380 nan 0.000 0.444 113 A N 0.960 123.783 122.820 0.006 0.000 2.448 113 A HA 0.450 4.770 4.320 -0.000 0.000 0.239 113 A C 0.701 178.286 177.584 0.001 0.000 1.080 113 A CA -0.081 51.959 52.037 0.004 0.000 0.779 113 A CB -0.110 18.893 19.000 0.005 0.000 1.026 113 A HN 0.753 nan 8.150 nan 0.000 0.499 114 A N 0.000 122.820 122.820 -0.000 0.000 2.254 114 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 114 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 114 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486