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 2qbf_1_M DATA FIRST_RESID 1 DATA SEQUENCE ARIAGINIPD HKHAVIALTS IYGVGKTRSK AILAAAGIAE DVKISELSEG DATA SEQUENCE QIDTLRDEVA KFVVEGDLRR EISMSIKRLM DLGCYRGLRH RRGLPVRGQR DATA SEQUENCE TKTNARTRKG PRK 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.581 177.584 -0.006 0.000 1.274 1 A CA 0.000 52.040 52.037 0.005 0.000 0.836 1 A CB 0.000 19.001 19.000 0.002 0.000 0.831 2 R N 0.360 120.853 120.500 -0.011 0.000 2.096 2 R HA 0.069 4.409 4.340 0.000 0.000 0.235 2 R C 1.249 177.524 176.300 -0.041 0.000 1.127 2 R CA 2.129 58.213 56.100 -0.026 0.000 0.968 2 R CB -0.839 29.448 30.300 -0.021 0.000 0.861 2 R HN 0.879 nan 8.270 nan 0.000 0.440 3 I N -2.207 118.346 120.570 -0.029 0.000 4.906 3 I HA -0.512 3.658 4.170 0.000 0.000 0.038 3 I C 1.568 177.660 176.117 -0.040 0.000 0.635 3 I CA 1.624 62.906 61.300 -0.031 0.000 0.214 3 I CB -1.422 36.557 38.000 -0.035 0.000 0.324 3 I HN 0.232 nan 8.210 nan 0.000 0.150 4 A N 1.128 123.912 122.820 -0.060 0.000 2.015 4 A HA 0.423 4.743 4.320 0.000 0.000 0.219 4 A C 1.041 178.576 177.584 -0.083 0.000 1.163 4 A CA 1.935 53.932 52.037 -0.066 0.000 0.646 4 A CB -0.632 18.316 19.000 -0.086 0.000 0.806 4 A HN 1.882 nan 8.150 nan 0.000 0.448 5 G N -2.251 106.485 108.800 -0.107 0.000 2.046 5 G HA2 0.416 4.376 3.960 0.000 0.000 0.245 5 G HA3 0.416 4.376 3.960 0.000 0.000 0.245 5 G C 0.149 174.982 174.900 -0.112 0.000 1.723 5 G CA -0.303 44.740 45.100 -0.095 0.000 0.909 5 G HN 0.554 nan 8.290 nan 0.000 0.737 6 I N -0.111 120.427 120.570 -0.054 0.000 4.848 6 I HA -0.415 3.755 4.170 0.000 0.000 0.040 6 I C 1.317 177.410 176.117 -0.040 0.000 0.633 6 I CA 1.952 63.234 61.300 -0.030 0.000 0.429 6 I CB -1.341 36.658 38.000 -0.000 0.000 0.454 6 I HN 0.827 nan 8.210 nan 0.000 0.152 7 N N 3.486 122.138 118.700 -0.079 0.000 1.531 7 N HA -0.048 4.692 4.740 0.000 0.000 0.357 7 N C -0.101 175.390 175.510 -0.031 0.000 1.248 7 N CA 0.794 53.804 53.050 -0.067 0.000 0.793 7 N CB -0.308 38.070 38.487 -0.182 0.000 1.023 7 N HN 0.531 nan 8.380 nan 0.000 0.521 8 I N -0.312 120.258 120.570 0.001 0.000 2.802 8 I HA 0.322 4.492 4.170 0.000 0.000 0.307 8 I C -2.286 173.848 176.117 0.029 0.000 1.232 8 I CA -2.195 59.113 61.300 0.014 0.000 1.060 8 I CB 0.485 38.497 38.000 0.020 0.000 1.866 8 I HN 0.166 nan 8.210 nan 0.000 0.568 9 P HA 0.227 nan 4.420 nan 0.000 0.269 9 P C -0.897 176.448 177.300 0.075 0.000 1.263 9 P CA 0.614 63.740 63.100 0.043 0.000 0.813 9 P CB 0.969 32.687 31.700 0.030 0.000 0.868 10 D N 1.776 122.253 120.400 0.128 0.000 2.592 10 D HA 0.198 4.838 4.640 0.000 0.000 0.263 10 D C 0.185 176.718 176.300 0.388 0.000 1.132 10 D CA -0.342 53.807 54.000 0.250 0.000 0.996 10 D CB 0.883 41.898 40.800 0.359 0.000 1.442 10 D HN 0.354 nan 8.370 nan 0.000 0.486 11 H N -1.404 117.678 119.070 0.020 0.000 3.047 11 H HA -0.133 4.423 4.556 -0.000 0.000 0.263 11 H C -0.352 174.987 175.328 0.019 0.000 1.168 11 H CA 1.060 57.120 56.048 0.020 0.000 1.152 11 H CB -1.044 28.724 29.762 0.010 0.000 1.278 11 H HN 0.048 nan 8.280 nan 0.000 0.339 12 K N -0.131 120.348 120.400 0.132 0.000 2.409 12 K HA 0.426 4.746 4.320 0.000 0.000 0.252 12 K C 0.005 176.699 176.600 0.157 0.000 1.036 12 K CA -0.798 55.535 56.287 0.077 0.000 0.871 12 K CB 1.262 33.787 32.500 0.041 0.000 1.374 12 K HN 0.355 nan 8.250 nan 0.000 0.459 13 H N 0.162 119.244 119.070 0.019 0.000 2.764 13 H HA 0.071 4.627 4.556 -0.000 0.000 0.341 13 H C 1.265 176.596 175.328 0.006 0.000 1.072 13 H CA 0.023 56.076 56.048 0.008 0.000 1.444 13 H CB 1.315 31.080 29.762 0.005 0.000 1.458 13 H HN 0.782 nan 8.280 nan 0.000 0.572 14 A N 4.262 127.148 122.820 0.109 0.000 1.909 14 A HA -0.285 4.035 4.320 0.000 0.000 0.221 14 A C 2.352 179.965 177.584 0.048 0.000 1.223 14 A CA 2.665 54.732 52.037 0.051 0.000 0.658 14 A CB -1.208 17.800 19.000 0.014 0.000 0.831 14 A HN 0.608 nan 8.150 nan 0.000 0.462 15 V N -0.120 119.827 119.914 0.055 0.000 2.250 15 V HA -0.349 3.771 4.120 0.000 0.000 0.240 15 V C 2.338 178.455 176.094 0.038 0.000 1.025 15 V CA 2.030 64.353 62.300 0.038 0.000 0.999 15 V CB -1.477 30.373 31.823 0.045 0.000 0.646 15 V HN 0.663 nan 8.190 nan 0.000 0.470 16 I N 1.218 121.818 120.570 0.050 0.000 2.113 16 I HA -0.361 3.809 4.170 0.000 0.000 0.242 16 I C 2.568 178.704 176.117 0.032 0.000 1.057 16 I CA 2.679 63.999 61.300 0.033 0.000 1.314 16 I CB -0.695 37.315 38.000 0.018 0.000 1.022 16 I HN 0.461 nan 8.210 nan 0.000 0.408 17 A N 0.797 123.641 122.820 0.041 0.000 1.948 17 A HA -0.247 4.073 4.320 0.000 0.000 0.220 17 A C 2.366 179.967 177.584 0.029 0.000 1.177 17 A CA 2.065 54.125 52.037 0.039 0.000 0.636 17 A CB -1.038 17.994 19.000 0.053 0.000 0.815 17 A HN 0.654 nan 8.150 nan 0.000 0.449 18 L N -0.101 121.135 121.223 0.022 0.000 2.141 18 L HA -0.129 4.211 4.340 0.000 0.000 0.209 18 L C 2.901 179.776 176.870 0.008 0.000 1.094 18 L CA 1.800 56.644 54.840 0.007 0.000 0.763 18 L CB -0.366 41.692 42.059 -0.002 0.000 0.908 18 L HN 0.682 nan 8.230 nan 0.000 0.437 19 T N -4.683 109.881 114.554 0.017 0.000 3.051 19 T HA -0.119 4.231 4.350 0.000 0.000 0.269 19 T C 1.829 176.559 174.700 0.050 0.000 1.127 19 T CA 1.210 63.326 62.100 0.027 0.000 1.107 19 T CB -0.261 68.623 68.868 0.027 0.000 0.898 19 T HN 0.224 nan 8.240 nan 0.000 0.517 20 S N 0.994 116.722 115.700 0.046 0.000 2.440 20 S HA 0.102 4.572 4.470 0.000 0.000 0.238 20 S C 0.850 175.503 174.600 0.090 0.000 1.010 20 S CA 0.371 58.615 58.200 0.073 0.000 0.972 20 S CB -0.699 62.531 63.200 0.051 0.000 0.774 20 S HN 0.626 nan 8.310 nan 0.000 0.501 21 I N 2.125 122.709 120.570 0.023 0.000 2.668 21 I HA -0.085 4.085 4.170 0.000 0.000 0.285 21 I C 0.985 177.174 176.117 0.118 0.000 1.168 21 I CA 0.155 61.430 61.300 -0.041 0.000 1.424 21 I CB 0.217 38.197 38.000 -0.033 0.000 1.377 21 I HN 0.317 nan 8.210 nan 0.000 0.560 22 Y N 4.504 124.826 120.300 0.035 0.000 2.639 22 Y HA -0.183 4.367 4.550 0.000 0.000 0.289 22 Y C 2.069 177.998 175.900 0.049 0.000 1.155 22 Y CA 0.010 58.131 58.100 0.034 0.000 1.379 22 Y CB -0.185 38.290 38.460 0.025 0.000 0.967 22 Y HN 0.827 nan 8.280 nan 0.000 0.569 23 G N -0.299 108.618 108.800 0.194 0.000 2.945 23 G HA2 0.213 4.173 3.960 0.000 0.000 0.225 23 G HA3 0.213 4.173 3.960 0.000 0.000 0.225 23 G C 0.015 175.050 174.900 0.225 0.000 1.046 23 G CA 0.336 45.547 45.100 0.185 0.000 0.842 23 G HN 0.109 nan 8.290 nan 0.000 0.543 24 V N -1.041 118.968 119.914 0.158 0.000 2.630 24 V HA 0.955 5.075 4.120 0.000 0.000 0.305 24 V C 0.348 176.481 176.094 0.064 0.000 1.046 24 V CA -0.261 62.098 62.300 0.097 0.000 0.934 24 V CB 1.317 33.148 31.823 0.013 0.000 1.003 24 V HN 0.203 nan 8.190 nan 0.000 0.451 25 G N 1.677 110.495 108.800 0.030 0.000 2.932 25 G HA2 0.412 4.372 3.960 0.000 0.000 0.283 25 G HA3 0.412 4.372 3.960 0.000 0.000 0.283 25 G C 0.243 175.141 174.900 -0.004 0.000 1.336 25 G CA -0.648 44.469 45.100 0.027 0.000 1.056 25 G HN 0.728 nan 8.290 nan 0.000 0.522 26 K N -0.542 119.861 120.400 0.005 0.000 2.059 26 K HA -0.134 4.186 4.320 0.000 0.000 0.212 26 K C 2.544 179.133 176.600 -0.019 0.000 1.050 26 K CA 2.319 58.605 56.287 -0.002 0.000 0.927 26 K CB -0.833 31.671 32.500 0.006 0.000 0.714 26 K HN 0.469 nan 8.250 nan 0.000 0.447 27 T N 1.057 115.597 114.554 -0.023 0.000 2.708 27 T HA -0.113 4.237 4.350 0.000 0.000 0.266 27 T C 1.973 176.622 174.700 -0.085 0.000 1.037 27 T CA 0.936 63.012 62.100 -0.039 0.000 1.146 27 T CB -0.068 68.784 68.868 -0.025 0.000 0.865 27 T HN 0.182 nan 8.240 nan 0.000 0.435 28 R N 0.824 121.245 120.500 -0.131 0.000 2.081 28 R HA -0.013 4.327 4.340 0.000 0.000 0.235 28 R C 2.871 179.069 176.300 -0.170 0.000 1.131 28 R CA 1.429 57.381 56.100 -0.246 0.000 0.960 28 R CB -0.906 29.163 30.300 -0.386 0.000 0.856 28 R HN 0.375 nan 8.270 nan 0.000 0.436 29 S N 0.438 116.077 115.700 -0.102 0.000 2.368 29 S HA -0.099 4.371 4.470 0.000 0.000 0.224 29 S C 1.871 176.441 174.600 -0.050 0.000 1.029 29 S CA 1.177 59.339 58.200 -0.064 0.000 0.988 29 S CB -0.018 63.164 63.200 -0.030 0.000 0.838 29 S HN 0.247 nan 8.310 nan 0.000 0.462 30 K N 0.022 120.397 120.400 -0.041 0.000 2.360 30 K HA 0.051 4.371 4.320 0.000 0.000 0.201 30 K C 1.748 178.325 176.600 -0.039 0.000 1.046 30 K CA 0.918 57.187 56.287 -0.030 0.000 0.945 30 K CB -0.171 32.316 32.500 -0.020 0.000 0.750 30 K HN 0.473 nan 8.250 nan 0.000 0.464 31 A N 0.405 123.190 122.820 -0.060 0.000 2.035 31 A HA 0.087 4.407 4.320 0.000 0.000 0.208 31 A C 1.790 179.334 177.584 -0.067 0.000 1.206 31 A CA -0.113 51.887 52.037 -0.061 0.000 0.773 31 A CB -0.126 18.829 19.000 -0.075 0.000 0.878 31 A HN 0.277 nan 8.150 nan 0.000 0.469 32 I N -0.036 120.482 120.570 -0.087 0.000 2.226 32 I HA -0.227 3.943 4.170 0.000 0.000 0.245 32 I C 2.169 178.257 176.117 -0.049 0.000 1.100 32 I CA 1.205 62.458 61.300 -0.079 0.000 1.374 32 I CB -0.069 37.873 38.000 -0.097 0.000 1.057 32 I HN 0.335 nan 8.210 nan 0.000 0.413 33 L N 0.762 121.961 121.223 -0.041 0.000 1.970 33 L HA -0.258 4.082 4.340 0.000 0.000 0.212 33 L C 2.868 179.722 176.870 -0.027 0.000 1.071 33 L CA 1.705 56.527 54.840 -0.029 0.000 0.751 33 L CB -0.984 41.061 42.059 -0.024 0.000 0.889 33 L HN 0.328 nan 8.230 nan 0.000 0.432 34 A N -0.038 122.766 122.820 -0.027 0.000 1.873 34 A HA -0.278 4.042 4.320 0.000 0.000 0.218 34 A C 2.493 180.064 177.584 -0.022 0.000 1.193 34 A CA 2.164 54.187 52.037 -0.024 0.000 0.629 34 A CB -1.020 17.966 19.000 -0.023 0.000 0.826 34 A HN 0.459 nan 8.150 nan 0.000 0.447 35 A N -0.704 122.101 122.820 -0.025 0.000 2.032 35 A HA 0.158 4.478 4.320 0.000 0.000 0.221 35 A C 2.147 179.721 177.584 -0.017 0.000 1.165 35 A CA 2.014 54.039 52.037 -0.021 0.000 0.645 35 A CB -0.693 18.292 19.000 -0.025 0.000 0.807 35 A HN 1.245 nan 8.150 nan 0.000 0.453 36 A N -1.635 121.173 122.820 -0.019 0.000 2.345 36 A HA 0.455 4.775 4.320 0.000 0.000 0.225 36 A C 1.517 179.092 177.584 -0.014 0.000 1.243 36 A CA 0.907 52.935 52.037 -0.015 0.000 0.875 36 A CB -0.995 17.995 19.000 -0.017 0.000 0.929 36 A HN 1.880 nan 8.150 nan 0.000 0.502 37 G N 0.109 108.899 108.800 -0.015 0.000 2.295 37 G HA2 -0.184 3.776 3.960 0.000 0.000 0.287 37 G HA3 -0.184 3.776 3.960 0.000 0.000 0.287 37 G C -0.217 174.673 174.900 -0.017 0.000 1.055 37 G CA 0.544 45.635 45.100 -0.015 0.000 0.922 37 G HN 0.393 nan 8.290 nan 0.000 0.503 38 I N -0.469 120.090 120.570 -0.019 0.000 2.608 38 I HA 0.747 4.917 4.170 0.000 0.000 0.295 38 I C 0.854 176.956 176.117 -0.025 0.000 1.049 38 I CA -0.887 60.400 61.300 -0.021 0.000 1.063 38 I CB 1.173 39.161 38.000 -0.019 0.000 1.248 38 I HN 0.262 nan 8.210 nan 0.000 0.424 39 A N 4.973 127.775 122.820 -0.030 0.000 2.495 39 A HA 0.403 4.723 4.320 0.000 0.000 0.260 39 A C 0.862 178.422 177.584 -0.040 0.000 1.608 39 A CA 0.412 52.426 52.037 -0.038 0.000 0.834 39 A CB 0.434 19.404 19.000 -0.049 0.000 1.526 39 A HN 0.825 nan 8.150 nan 0.000 0.578 40 E N -1.909 118.256 120.200 -0.058 0.000 2.502 40 E HA -0.015 4.335 4.350 0.000 0.000 0.206 40 E C 0.713 177.235 176.600 -0.130 0.000 0.821 40 E CA 0.630 57.000 56.400 -0.051 0.000 1.354 40 E CB 0.029 29.712 29.700 -0.029 0.000 1.336 40 E HN 0.800 nan 8.360 nan 0.000 0.675 41 D N 1.820 122.084 120.400 -0.226 0.000 2.392 41 D HA -0.075 4.565 4.640 0.000 0.000 0.228 41 D C 0.799 176.887 176.300 -0.354 0.000 1.003 41 D CA 0.205 53.913 54.000 -0.488 0.000 0.917 41 D CB -0.233 40.372 40.800 -0.325 0.000 0.890 41 D HN -0.008 nan 8.370 nan 0.000 0.532 42 V N -1.280 118.536 119.914 -0.163 0.000 2.508 42 V HA 0.178 4.298 4.120 0.000 0.000 0.281 42 V C 0.229 176.311 176.094 -0.020 0.000 1.041 42 V CA -1.185 61.068 62.300 -0.079 0.000 1.016 42 V CB 0.655 32.449 31.823 -0.050 0.000 0.984 42 V HN -0.079 nan 8.190 nan 0.000 0.478 43 K N 4.420 124.821 120.400 0.003 0.000 2.315 43 K HA 0.295 4.615 4.320 0.000 0.000 0.291 43 K C 0.930 177.534 176.600 0.008 0.000 1.074 43 K CA -0.324 55.986 56.287 0.038 0.000 0.936 43 K CB 0.804 33.316 32.500 0.019 0.000 1.049 43 K HN 0.739 nan 8.250 nan 0.000 0.471 44 I N 0.884 121.469 120.570 0.025 0.000 2.300 44 I HA -0.409 3.761 4.170 0.000 0.000 0.252 44 I C 2.075 178.192 176.117 -0.000 0.000 1.119 44 I CA 1.517 62.826 61.300 0.014 0.000 1.384 44 I CB -1.259 36.758 38.000 0.028 0.000 1.062 44 I HN 0.564 nan 8.210 nan 0.000 0.426 45 S N 2.381 118.075 115.700 -0.011 0.000 2.354 45 S HA -0.265 4.205 4.470 0.000 0.000 0.219 45 S C 1.769 176.324 174.600 -0.075 0.000 1.035 45 S CA 1.450 59.615 58.200 -0.059 0.000 1.037 45 S CB -1.084 61.981 63.200 -0.224 0.000 0.956 45 S HN 0.734 nan 8.310 nan 0.000 0.428 46 E N 1.249 121.397 120.200 -0.087 0.000 2.494 46 E HA 0.272 4.622 4.350 0.000 0.000 0.193 46 E C 0.428 177.004 176.600 -0.039 0.000 1.074 46 E CA -0.308 56.053 56.400 -0.066 0.000 0.867 46 E CB -0.388 29.271 29.700 -0.069 0.000 0.924 46 E HN 0.318 nan 8.360 nan 0.000 0.502 47 L N 1.834 123.039 121.223 -0.030 0.000 2.506 47 L HA 0.082 4.422 4.340 0.000 0.000 0.281 47 L C -0.049 176.811 176.870 -0.018 0.000 1.228 47 L CA 0.387 55.214 54.840 -0.021 0.000 0.850 47 L CB 0.423 42.474 42.059 -0.014 0.000 1.110 47 L HN 0.137 nan 8.230 nan 0.000 0.496 48 S N 3.146 118.836 115.700 -0.016 0.000 2.525 48 S HA -0.037 4.433 4.470 0.000 0.000 0.285 48 S C 1.108 175.702 174.600 -0.011 0.000 1.283 48 S CA -0.239 57.953 58.200 -0.014 0.000 1.072 48 S CB 0.901 64.093 63.200 -0.013 0.000 0.867 48 S HN 0.635 nan 8.310 nan 0.000 0.492 49 E N 4.598 124.793 120.200 -0.009 0.000 2.048 49 E HA -0.197 4.153 4.350 0.000 0.000 0.202 49 E C 2.136 178.732 176.600 -0.006 0.000 1.021 49 E CA 2.195 58.591 56.400 -0.007 0.000 0.825 49 E CB -1.042 28.655 29.700 -0.005 0.000 0.756 49 E HN 0.765 nan 8.360 nan 0.000 0.454 50 G N 0.147 108.943 108.800 -0.007 0.000 2.505 50 G HA2 -0.352 3.608 3.960 0.000 0.000 0.220 50 G HA3 -0.352 3.608 3.960 0.000 0.000 0.220 50 G C 1.511 176.407 174.900 -0.007 0.000 1.145 50 G CA 1.056 46.153 45.100 -0.006 0.000 0.761 50 G HN 0.414 nan 8.290 nan 0.000 0.571 51 Q N -0.685 119.110 119.800 -0.009 0.000 2.437 51 Q HA 0.003 4.343 4.340 0.000 0.000 0.210 51 Q C 2.322 178.316 176.000 -0.009 0.000 0.972 51 Q CA 0.379 56.176 55.803 -0.010 0.000 0.903 51 Q CB -0.027 28.703 28.738 -0.012 0.000 0.967 51 Q HN 0.464 nan 8.270 nan 0.000 0.486 52 I N 0.964 121.529 120.570 -0.007 0.000 2.400 52 I HA -0.157 4.013 4.170 0.000 0.000 0.248 52 I C 1.154 177.268 176.117 -0.006 0.000 1.109 52 I CA 1.267 62.563 61.300 -0.006 0.000 1.425 52 I CB -0.292 37.705 38.000 -0.005 0.000 1.094 52 I HN 0.077 nan 8.210 nan 0.000 0.425 53 D N -0.360 120.037 120.400 -0.005 0.000 2.265 53 D HA -0.174 4.466 4.640 0.000 0.000 0.208 53 D C 1.953 178.250 176.300 -0.005 0.000 0.977 53 D CA 1.614 55.611 54.000 -0.005 0.000 0.871 53 D CB -0.199 40.598 40.800 -0.004 0.000 0.925 53 D HN 0.379 nan 8.370 nan 0.000 0.485 54 T N 0.100 114.651 114.554 -0.006 0.000 2.809 54 T HA -0.032 4.318 4.350 0.000 0.000 0.260 54 T C 2.126 176.822 174.700 -0.006 0.000 1.039 54 T CA 0.396 62.493 62.100 -0.006 0.000 1.141 54 T CB -0.501 68.363 68.868 -0.007 0.000 0.869 54 T HN 0.118 nan 8.240 nan 0.000 0.437 55 L N 0.817 122.035 121.223 -0.008 0.000 1.963 55 L HA -0.199 4.141 4.340 0.000 0.000 0.220 55 L C 3.010 179.876 176.870 -0.007 0.000 1.076 55 L CA 1.852 56.687 54.840 -0.010 0.000 0.772 55 L CB -0.828 41.225 42.059 -0.011 0.000 0.892 55 L HN 0.143 nan 8.230 nan 0.000 0.435 56 R N 0.306 120.802 120.500 -0.006 0.000 2.133 56 R HA -0.257 4.083 4.340 0.000 0.000 0.245 56 R C 1.976 178.277 176.300 0.002 0.000 1.137 56 R CA 2.556 58.654 56.100 -0.004 0.000 0.947 56 R CB -0.384 29.913 30.300 -0.005 0.000 0.865 56 R HN 0.370 nan 8.270 nan 0.000 0.437 57 D N -0.512 119.889 120.400 0.002 0.000 2.104 57 D HA -0.183 4.457 4.640 0.000 0.000 0.194 57 D C 1.786 178.093 176.300 0.010 0.000 0.994 57 D CA 1.561 55.564 54.000 0.005 0.000 0.830 57 D CB -0.008 40.793 40.800 0.003 0.000 0.959 57 D HN 0.380 nan 8.370 nan 0.000 0.452 58 E N -0.448 119.756 120.200 0.007 0.000 2.158 58 E HA -0.062 4.288 4.350 0.000 0.000 0.191 58 E C 1.897 178.509 176.600 0.020 0.000 0.982 58 E CA 0.139 56.545 56.400 0.010 0.000 0.823 58 E CB 0.181 29.879 29.700 -0.003 0.000 0.766 58 E HN 0.038 nan 8.360 nan 0.000 0.468 59 V N 0.471 120.394 119.914 0.015 0.000 2.913 59 V HA -0.100 4.020 4.120 0.000 0.000 0.260 59 V C 1.912 178.045 176.094 0.066 0.000 1.098 59 V CA 1.542 63.860 62.300 0.030 0.000 1.121 59 V CB -0.213 31.617 31.823 0.011 0.000 0.714 59 V HN 0.404 nan 8.190 nan 0.000 0.487 60 A N -0.362 122.486 122.820 0.047 0.000 2.121 60 A HA -0.084 4.236 4.320 0.000 0.000 0.218 60 A C 2.138 179.762 177.584 0.067 0.000 1.154 60 A CA 1.139 53.204 52.037 0.046 0.000 0.679 60 A CB -0.324 18.692 19.000 0.026 0.000 0.795 60 A HN 0.498 nan 8.150 nan 0.000 0.458 61 K N -0.755 119.699 120.400 0.090 0.000 2.057 61 K HA 0.021 4.341 4.320 0.000 0.000 0.206 61 K C 0.225 176.929 176.600 0.174 0.000 1.050 61 K CA 0.393 56.747 56.287 0.112 0.000 0.935 61 K CB -0.526 32.044 32.500 0.117 0.000 0.715 61 K HN 0.435 nan 8.250 nan 0.000 0.439 62 F N 1.169 121.119 119.950 -0.000 0.000 2.389 62 F HA 0.076 4.603 4.527 -0.000 0.000 0.337 62 F C 0.445 176.246 175.800 0.003 0.000 1.112 62 F CA -1.031 56.971 58.000 0.003 0.000 1.192 62 F CB 0.694 39.696 39.000 0.004 0.000 1.185 62 F HN -0.343 nan 8.300 nan 0.000 0.552 63 V N 5.422 125.235 119.914 -0.170 0.000 2.583 63 V HA 0.419 4.539 4.120 0.000 0.000 0.287 63 V C -0.111 175.981 176.094 -0.003 0.000 1.051 63 V CA -0.229 62.013 62.300 -0.096 0.000 1.010 63 V CB 0.938 32.660 31.823 -0.169 0.000 0.988 63 V HN 0.641 nan 8.190 nan 0.000 0.478 64 V N 1.674 121.606 119.914 0.030 0.000 3.158 64 V HA 0.672 4.792 4.120 0.000 0.000 0.311 64 V C 1.024 177.155 176.094 0.061 0.000 1.181 64 V CA -0.639 61.697 62.300 0.061 0.000 1.054 64 V CB 1.631 33.483 31.823 0.048 0.000 1.085 64 V HN 0.767 nan 8.190 nan 0.000 0.446 65 E N 1.589 121.858 120.200 0.114 0.000 2.813 65 E HA -0.409 3.941 4.350 0.000 0.000 0.233 65 E C 1.669 178.331 176.600 0.103 0.000 0.922 65 E CA 2.488 58.997 56.400 0.181 0.000 1.351 65 E CB -1.833 28.010 29.700 0.239 0.000 1.349 65 E HN 1.387 nan 8.360 nan 0.000 0.485 66 G N 2.759 111.601 108.800 0.071 0.000 2.912 66 G HA2 -0.353 3.607 3.960 0.000 0.000 0.214 66 G HA3 -0.353 3.607 3.960 0.000 0.000 0.214 66 G C 1.098 176.013 174.900 0.025 0.000 1.341 66 G CA 1.669 46.795 45.100 0.043 0.000 0.794 66 G HN 0.475 nan 8.290 nan 0.000 0.691 67 D N 0.310 120.717 120.400 0.011 0.000 2.309 67 D HA -0.056 4.584 4.640 0.000 0.000 0.212 67 D C 2.349 178.643 176.300 -0.009 0.000 0.968 67 D CA 0.390 54.388 54.000 -0.003 0.000 0.882 67 D CB 0.038 40.830 40.800 -0.013 0.000 0.918 67 D HN 0.301 nan 8.370 nan 0.000 0.503 68 L N 1.228 122.453 121.223 0.003 0.000 1.925 68 L HA -0.169 4.171 4.340 0.000 0.000 0.214 68 L C 2.619 179.489 176.870 0.001 0.000 1.091 68 L CA 1.125 55.964 54.840 -0.001 0.000 0.768 68 L CB -0.098 41.978 42.059 0.029 0.000 0.887 68 L HN -0.155 nan 8.230 nan 0.000 0.433 69 R N -0.332 120.179 120.500 0.018 0.000 2.133 69 R HA -0.277 4.063 4.340 0.000 0.000 0.247 69 R C 2.230 178.527 176.300 -0.006 0.000 1.151 69 R CA 1.735 57.839 56.100 0.006 0.000 0.971 69 R CB -0.855 29.453 30.300 0.014 0.000 0.866 69 R HN 0.364 nan 8.270 nan 0.000 0.447 70 R N 1.554 122.053 120.500 -0.003 0.000 2.094 70 R HA -0.175 4.165 4.340 0.000 0.000 0.239 70 R C 2.035 178.324 176.300 -0.019 0.000 1.137 70 R CA 2.176 58.270 56.100 -0.009 0.000 0.943 70 R CB -0.404 29.892 30.300 -0.006 0.000 0.850 70 R HN 0.385 nan 8.270 nan 0.000 0.433 71 E N -0.480 119.706 120.200 -0.022 0.000 2.112 71 E HA -0.085 4.265 4.350 0.000 0.000 0.190 71 E C 2.060 178.640 176.600 -0.033 0.000 0.979 71 E CA 0.881 57.264 56.400 -0.029 0.000 0.814 71 E CB -0.131 29.549 29.700 -0.034 0.000 0.762 71 E HN 0.428 nan 8.360 nan 0.000 0.460 72 I N 0.656 121.208 120.570 -0.030 0.000 2.300 72 I HA -0.333 3.837 4.170 0.000 0.000 0.252 72 I C 1.853 177.943 176.117 -0.046 0.000 1.119 72 I CA 1.126 62.407 61.300 -0.032 0.000 1.384 72 I CB 0.079 38.066 38.000 -0.021 0.000 1.062 72 I HN 0.111 nan 8.210 nan 0.000 0.426 73 S N 0.002 115.674 115.700 -0.047 0.000 2.388 73 S HA -0.048 4.422 4.470 0.000 0.000 0.223 73 S C 1.897 176.457 174.600 -0.066 0.000 1.034 73 S CA 0.771 58.933 58.200 -0.064 0.000 0.963 73 S CB -0.065 63.105 63.200 -0.051 0.000 0.827 73 S HN 0.314 nan 8.310 nan 0.000 0.481 74 M N 2.341 121.913 119.600 -0.048 0.000 2.103 74 M HA -0.183 4.297 4.480 0.000 0.000 0.255 74 M C 2.522 178.794 176.300 -0.047 0.000 1.074 74 M CA 2.004 57.279 55.300 -0.042 0.000 1.090 74 M CB -1.890 30.691 32.600 -0.031 0.000 1.325 74 M HN 0.513 nan 8.290 nan 0.000 0.403 75 S N 0.823 116.495 115.700 -0.047 0.000 2.365 75 S HA -0.175 4.295 4.470 0.000 0.000 0.221 75 S C 1.962 176.524 174.600 -0.065 0.000 1.037 75 S CA 1.633 59.807 58.200 -0.043 0.000 1.060 75 S CB -1.188 61.991 63.200 -0.035 0.000 0.974 75 S HN 0.480 nan 8.310 nan 0.000 0.427 76 I N 2.349 122.851 120.570 -0.113 0.000 2.087 76 I HA -0.304 3.866 4.170 0.000 0.000 0.240 76 I C 2.925 178.946 176.117 -0.160 0.000 1.054 76 I CA 2.078 63.246 61.300 -0.220 0.000 1.311 76 I CB -0.508 37.281 38.000 -0.351 0.000 1.024 76 I HN 0.389 nan 8.210 nan 0.000 0.402 77 K N 1.038 121.368 120.400 -0.116 0.000 2.034 77 K HA -0.303 4.017 4.320 0.000 0.000 0.214 77 K C 2.318 178.892 176.600 -0.044 0.000 1.051 77 K CA 2.088 58.332 56.287 -0.073 0.000 0.931 77 K CB -0.275 32.193 32.500 -0.053 0.000 0.715 77 K HN 0.229 nan 8.250 nan 0.000 0.446 78 R N 0.887 121.365 120.500 -0.036 0.000 2.148 78 R HA -0.221 4.119 4.340 0.000 0.000 0.230 78 R C 2.539 178.837 176.300 -0.004 0.000 1.120 78 R CA 2.588 58.678 56.100 -0.017 0.000 0.902 78 R CB -0.800 29.491 30.300 -0.014 0.000 0.839 78 R HN 0.312 nan 8.270 nan 0.000 0.431 79 L N -0.388 120.837 121.223 0.003 0.000 2.261 79 L HA -0.073 4.267 4.340 0.000 0.000 0.216 79 L C 2.572 179.465 176.870 0.039 0.000 1.114 79 L CA 1.822 56.680 54.840 0.031 0.000 0.777 79 L CB -0.697 41.395 42.059 0.055 0.000 0.910 79 L HN 0.346 nan 8.230 nan 0.000 0.440 80 M N 1.339 120.949 119.600 0.017 0.000 2.074 80 M HA -0.118 4.362 4.480 0.000 0.000 0.258 80 M C 0.765 177.072 176.300 0.012 0.000 1.083 80 M CA 1.885 57.198 55.300 0.022 0.000 1.128 80 M CB -0.204 32.386 32.600 -0.016 0.000 1.301 80 M HN 0.540 nan 8.290 nan 0.000 0.417 81 D N 0.786 121.186 120.400 0.000 0.000 2.841 81 D HA 0.010 4.650 4.640 0.000 0.000 0.244 81 D C 0.891 177.194 176.300 0.006 0.000 1.228 81 D CA 0.315 54.316 54.000 0.001 0.000 0.872 81 D CB -0.397 40.400 40.800 -0.005 0.000 1.082 81 D HN 0.443 nan 8.370 nan 0.000 0.457 82 L N -1.128 120.103 121.223 0.013 0.000 2.713 82 L HA 0.348 4.688 4.340 0.000 0.000 0.223 82 L C 1.599 178.481 176.870 0.021 0.000 1.040 82 L CA 0.604 55.454 54.840 0.016 0.000 0.894 82 L CB 0.552 42.623 42.059 0.021 0.000 1.361 82 L HN 0.382 nan 8.230 nan 0.000 0.490 83 G N -0.084 108.731 108.800 0.025 0.000 2.168 83 G HA2 -0.245 3.715 3.960 0.000 0.000 0.197 83 G HA3 -0.245 3.715 3.960 0.000 0.000 0.197 83 G C 0.287 175.214 174.900 0.045 0.000 0.997 83 G CA -0.034 45.083 45.100 0.029 0.000 0.658 83 G HN 0.431 nan 8.290 nan 0.000 0.513 84 C N -1.077 118.254 119.300 0.053 0.000 2.604 84 C HA 0.706 5.166 4.460 0.000 0.000 0.396 84 C C 1.739 176.790 174.990 0.102 0.000 1.282 84 C CA -0.232 58.836 59.018 0.082 0.000 2.292 84 C CB 0.260 28.047 27.740 0.078 0.000 2.633 84 C HN 0.546 nan 8.230 nan 0.000 0.620 85 Y N 1.945 122.250 120.300 0.008 0.000 2.139 85 Y HA -0.177 4.373 4.550 0.000 0.000 0.282 85 Y C 2.709 178.602 175.900 -0.011 0.000 1.179 85 Y CA 2.572 60.670 58.100 -0.004 0.000 1.161 85 Y CB -0.355 38.099 38.460 -0.010 0.000 0.970 85 Y HN 0.790 nan 8.280 nan 0.000 0.511 86 R N -0.721 119.815 120.500 0.060 0.000 2.097 86 R HA -0.195 4.145 4.340 0.000 0.000 0.236 86 R C 2.632 178.924 176.300 -0.012 0.000 1.135 86 R CA 1.488 57.583 56.100 -0.010 0.000 0.934 86 R CB -1.222 29.137 30.300 0.098 0.000 0.846 86 R HN 0.511 nan 8.270 nan 0.000 0.431 87 G N 1.328 110.179 108.800 0.085 0.000 2.459 87 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 87 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 87 G C 1.478 176.394 174.900 0.026 0.000 1.183 87 G CA 0.883 46.062 45.100 0.132 0.000 0.776 87 G HN 0.138 nan 8.290 nan 0.000 0.552 88 L N -0.097 121.088 121.223 -0.063 0.000 2.034 88 L HA -0.195 4.145 4.340 0.000 0.000 0.217 88 L C 3.135 179.893 176.870 -0.186 0.000 1.077 88 L CA 1.462 56.234 54.840 -0.114 0.000 0.769 88 L CB -0.521 41.451 42.059 -0.145 0.000 0.890 88 L HN 0.064 nan 8.230 nan 0.000 0.435 89 R N -0.615 119.677 120.500 -0.347 0.000 2.091 89 R HA -0.156 4.184 4.340 0.000 0.000 0.238 89 R C 2.282 178.421 176.300 -0.269 0.000 1.136 89 R CA 1.430 57.293 56.100 -0.395 0.000 0.959 89 R CB -0.845 29.128 30.300 -0.546 0.000 0.856 89 R HN 0.554 nan 8.270 nan 0.000 0.437 90 H N 0.656 119.659 119.070 -0.112 0.000 2.270 90 H HA -0.119 4.437 4.556 0.000 0.000 0.299 90 H C 2.214 177.506 175.328 -0.059 0.000 1.077 90 H CA 2.062 58.068 56.048 -0.070 0.000 1.294 90 H CB -0.132 29.598 29.762 -0.054 0.000 1.371 90 H HN 0.208 nan 8.280 nan 0.000 0.491 91 R N 1.143 121.686 120.500 0.072 0.000 2.127 91 R HA -0.064 4.276 4.340 0.000 0.000 0.238 91 R C 1.905 178.201 176.300 -0.006 0.000 1.134 91 R CA 1.271 57.385 56.100 0.023 0.000 0.975 91 R CB -0.206 30.099 30.300 0.008 0.000 0.865 91 R HN 0.085 nan 8.270 nan 0.000 0.447 92 R N 0.102 120.582 120.500 -0.035 0.000 2.275 92 R HA 0.131 4.471 4.340 0.000 0.000 0.199 92 R C 0.977 177.251 176.300 -0.043 0.000 0.989 92 R CA 0.826 56.898 56.100 -0.046 0.000 1.016 92 R CB 0.016 30.270 30.300 -0.076 0.000 0.918 92 R HN 0.634 nan 8.270 nan 0.000 0.473 93 G N 1.552 110.329 108.800 -0.039 0.000 2.160 93 G HA2 -0.263 3.697 3.960 0.000 0.000 0.251 93 G HA3 -0.263 3.697 3.960 0.000 0.000 0.251 93 G C 0.071 174.939 174.900 -0.053 0.000 1.008 93 G CA 0.194 45.276 45.100 -0.030 0.000 0.724 93 G HN 0.189 nan 8.290 nan 0.000 0.514 94 L N 0.821 121.989 121.223 -0.093 0.000 2.352 94 L HA 0.507 4.847 4.340 0.000 0.000 0.269 94 L C -1.587 175.207 176.870 -0.127 0.000 1.034 94 L CA -2.638 52.145 54.840 -0.094 0.000 0.806 94 L CB 1.405 43.406 42.059 -0.098 0.000 1.244 94 L HN -0.113 nan 8.230 nan 0.000 0.447 95 P HA -0.029 nan 4.420 nan 0.000 0.260 95 P C 0.643 177.882 177.300 -0.101 0.000 1.207 95 P CA 0.100 63.155 63.100 -0.074 0.000 0.780 95 P CB 0.809 32.493 31.700 -0.027 0.000 0.789 96 V N 4.718 124.533 119.914 -0.164 0.000 2.453 96 V HA -0.160 3.960 4.120 0.000 0.000 0.247 96 V C 2.567 178.652 176.094 -0.015 0.000 1.048 96 V CA 1.532 63.728 62.300 -0.174 0.000 1.049 96 V CB -1.142 30.489 31.823 -0.319 0.000 0.672 96 V HN 0.411 nan 8.190 nan 0.000 0.457 97 R N 0.831 121.326 120.500 -0.007 0.000 2.249 97 R HA 0.026 4.366 4.340 0.000 0.000 0.230 97 R C 1.294 177.622 176.300 0.047 0.000 1.121 97 R CA 0.848 56.964 56.100 0.025 0.000 0.997 97 R CB -0.735 29.575 30.300 0.016 0.000 0.867 97 R HN 0.670 nan 8.270 nan 0.000 0.465 98 G N 0.195 109.033 108.800 0.065 0.000 2.638 98 G HA2 -0.230 3.730 3.960 0.000 0.000 0.269 98 G HA3 -0.230 3.730 3.960 0.000 0.000 0.269 98 G C -0.476 174.450 174.900 0.045 0.000 1.141 98 G CA -0.023 45.128 45.100 0.085 0.000 1.081 98 G HN 0.276 nan 8.290 nan 0.000 0.527 99 Q N -0.590 119.231 119.800 0.034 0.000 2.796 99 Q HA 0.793 5.133 4.340 0.000 0.000 0.178 99 Q C 1.006 177.019 176.000 0.021 0.000 1.063 99 Q CA -0.276 55.539 55.803 0.020 0.000 0.848 99 Q CB 0.442 29.187 28.738 0.011 0.000 3.016 99 Q HN 0.755 nan 8.270 nan 0.000 0.413 100 R N -0.687 119.821 120.500 0.014 0.000 2.343 100 R HA 0.433 4.773 4.340 0.000 0.000 0.320 100 R C 0.251 176.557 176.300 0.010 0.000 0.956 100 R CA -0.115 55.992 56.100 0.013 0.000 0.836 100 R CB 0.915 31.220 30.300 0.008 0.000 1.151 100 R HN 0.669 nan 8.270 nan 0.000 0.450 101 T N -0.358 114.203 114.554 0.012 0.000 2.978 101 T HA -0.089 4.261 4.350 0.000 0.000 0.262 101 T C 1.585 176.288 174.700 0.005 0.000 1.063 101 T CA 0.642 62.746 62.100 0.007 0.000 1.140 101 T CB -0.079 68.794 68.868 0.008 0.000 0.886 101 T HN 0.674 nan 8.240 nan 0.000 0.470 102 K N 1.393 121.797 120.400 0.006 0.000 2.228 102 K HA -0.082 4.238 4.320 0.000 0.000 0.205 102 K C -0.323 176.279 176.600 0.003 0.000 1.045 102 K CA 1.264 57.554 56.287 0.005 0.000 0.931 102 K CB -0.105 32.398 32.500 0.005 0.000 0.727 102 K HN 0.468 nan 8.250 nan 0.000 0.458 103 T N 0.277 114.833 114.554 0.003 0.000 2.942 103 T HA 0.205 4.555 4.350 0.000 0.000 0.327 103 T C -1.684 173.017 174.700 0.002 0.000 1.360 103 T CA -0.955 61.146 62.100 0.002 0.000 1.055 103 T CB 1.423 70.292 68.868 0.002 0.000 1.261 103 T HN 0.247 nan 8.240 nan 0.000 0.485 104 N N 0.656 119.356 118.700 0.001 0.000 2.568 104 N HA 0.004 4.744 4.740 0.000 0.000 0.285 104 N C 0.030 175.539 175.510 -0.000 0.000 1.602 104 N CA 0.999 54.049 53.050 0.000 0.000 1.043 104 N CB -0.838 37.649 38.487 0.001 0.000 0.920 104 N HN 1.160 nan 8.380 nan 0.000 0.467 105 A N 2.026 124.845 122.820 -0.002 0.000 2.408 105 A HA 0.110 4.430 4.320 0.000 0.000 0.195 105 A C 1.512 179.093 177.584 -0.005 0.000 2.215 105 A CA -0.086 51.949 52.037 -0.004 0.000 1.224 105 A CB 0.198 19.195 19.000 -0.006 0.000 0.924 105 A HN 0.349 nan 8.150 nan 0.000 0.450 106 R N 0.664 121.162 120.500 -0.003 0.000 2.244 106 R HA -0.148 4.192 4.340 0.000 0.000 0.252 106 R C 1.595 177.893 176.300 -0.004 0.000 1.177 106 R CA 2.067 58.165 56.100 -0.004 0.000 1.004 106 R CB -1.036 29.262 30.300 -0.003 0.000 0.873 106 R HN 0.599 nan 8.270 nan 0.000 0.469 107 T N 0.258 114.810 114.554 -0.003 0.000 2.706 107 T HA -0.069 4.281 4.350 0.000 0.000 0.255 107 T C 1.883 176.582 174.700 -0.003 0.000 1.048 107 T CA 1.141 63.240 62.100 -0.002 0.000 1.153 107 T CB -0.161 68.707 68.868 -0.001 0.000 0.865 107 T HN 0.113 nan 8.240 nan 0.000 0.414 108 R N 2.472 122.969 120.500 -0.005 0.000 2.081 108 R HA -0.012 4.328 4.340 0.000 0.000 0.235 108 R C 0.944 177.238 176.300 -0.009 0.000 1.131 108 R CA 1.350 57.445 56.100 -0.009 0.000 0.960 108 R CB -0.237 30.052 30.300 -0.019 0.000 0.856 108 R HN 0.549 nan 8.270 nan 0.000 0.436 109 K N -1.593 118.801 120.400 -0.010 0.000 2.288 109 K HA 0.550 4.870 4.320 0.000 0.000 0.234 109 K C 0.271 176.867 176.600 -0.007 0.000 1.037 109 K CA -0.570 55.712 56.287 -0.010 0.000 0.914 109 K CB 0.689 33.182 32.500 -0.012 0.000 1.197 109 K HN 0.042 nan 8.250 nan 0.000 0.471 110 G N 0.483 109.280 108.800 -0.006 0.000 2.684 110 G HA2 0.199 4.159 3.960 0.000 0.000 0.255 110 G HA3 0.199 4.159 3.960 0.000 0.000 0.255 110 G C -1.697 173.200 174.900 -0.005 0.000 1.219 110 G CA -1.240 43.857 45.100 -0.005 0.000 0.901 110 G HN 0.585 nan 8.290 nan 0.000 0.548 111 P HA 0.041 nan 4.420 nan 0.000 0.215 111 P C -0.020 177.278 177.300 -0.004 0.000 1.173 111 P CA 0.248 63.346 63.100 -0.004 0.000 0.663 111 P CB 0.375 32.073 31.700 -0.004 0.000 0.720 112 R N 0.162 120.660 120.500 -0.003 0.000 2.486 112 R HA 0.539 4.879 4.340 0.000 0.000 0.286 112 R C 0.404 176.702 176.300 -0.003 0.000 0.999 112 R CA -0.336 55.762 56.100 -0.003 0.000 0.993 112 R CB 0.968 31.266 30.300 -0.003 0.000 1.084 112 R HN 0.367 nan 8.270 nan 0.000 0.487 113 K N 0.000 120.398 120.400 -0.003 0.000 2.780 113 K HA 0.000 4.320 4.320 0.000 0.000 0.191 113 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 113 K CB 0.000 32.498 32.500 -0.003 0.000 1.064 113 K HN 0.000 nan 8.250 nan 0.000 0.543