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 1mff_1_C DATA FIRST_RESID 1 DATA SEQUENCE PMFIVNTNVP RASVPEGFLS ELTQQLAQAT GKPAQYIAVH VVPDQLMTFS DATA SEQUENCE GTNDPCALCS LHSIGKIGGA QNRNYSKLLC GLLSDRLHIS PDRVFINYYD DATA SEQUENCE MNAANVGWNG STFA 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.337 177.300 0.062 0.000 1.155 1 P CA 0.000 63.103 63.100 0.005 0.000 0.800 1 P CB 0.000 31.684 31.700 -0.026 0.000 0.726 2 M N 0.649 120.327 119.600 0.129 0.000 2.393 2 M HA 0.712 5.196 4.480 0.007 0.000 0.299 2 M C -1.564 174.903 176.300 0.279 0.000 1.103 2 M CA -0.594 54.805 55.300 0.166 0.000 0.910 2 M CB 2.879 35.552 32.600 0.121 0.000 1.659 2 M HN 0.311 nan 8.290 nan 0.000 0.445 3 F N 3.898 123.885 119.950 0.062 0.000 2.507 3 F HA 0.764 5.295 4.527 0.007 0.000 0.328 3 F C -1.757 174.080 175.800 0.062 0.000 1.136 3 F CA -1.021 57.007 58.000 0.046 0.000 0.930 3 F CB 1.213 40.201 39.000 -0.019 0.000 1.166 3 F HN 0.594 nan 8.300 nan 0.000 0.436 4 I N 6.479 126.783 120.570 -0.443 0.000 2.474 4 I HA 0.541 4.715 4.170 0.007 0.000 0.294 4 I C -1.109 174.588 176.117 -0.700 0.000 1.005 4 I CA -1.144 59.903 61.300 -0.421 0.000 1.113 4 I CB 2.002 39.895 38.000 -0.178 0.000 1.289 4 I HN 0.248 nan 8.210 nan 0.000 0.436 5 V N 5.673 125.279 119.914 -0.513 0.000 2.483 5 V HA 0.391 4.515 4.120 0.007 0.000 0.297 5 V C -0.443 175.527 176.094 -0.207 0.000 1.027 5 V CA -0.724 61.366 62.300 -0.350 0.000 0.855 5 V CB 1.734 33.464 31.823 -0.156 0.000 0.995 5 V HN 0.666 nan 8.190 nan 0.000 0.424 6 N N 2.500 121.117 118.700 -0.139 0.000 2.392 6 N HA 0.590 5.334 4.740 0.007 0.000 0.283 6 N C -0.662 174.828 175.510 -0.033 0.000 1.003 6 N CA -0.174 52.821 53.050 -0.093 0.000 0.892 6 N CB 2.403 40.848 38.487 -0.070 0.000 1.193 6 N HN 0.684 nan 8.380 nan 0.000 0.487 7 T N 0.139 114.680 114.554 -0.022 0.000 2.923 7 T HA 0.166 4.520 4.350 0.007 0.000 0.311 7 T C 0.452 175.150 174.700 -0.004 0.000 1.183 7 T CA -0.709 61.387 62.100 -0.006 0.000 1.020 7 T CB 0.752 69.615 68.868 -0.009 0.000 1.165 7 T HN 0.561 nan 8.240 nan 0.000 0.482 8 N N 2.592 121.292 118.700 0.001 0.000 2.461 8 N HA 0.029 4.773 4.740 0.007 0.000 0.188 8 N C 0.479 175.986 175.510 -0.006 0.000 1.134 8 N CA 0.065 53.116 53.050 0.002 0.000 0.878 8 N CB -0.317 38.175 38.487 0.010 0.000 0.972 8 N HN 0.318 nan 8.380 nan 0.000 0.456 9 V N 2.406 122.312 119.914 -0.013 0.000 2.655 9 V HA 0.127 4.251 4.120 0.007 0.000 0.300 9 V C -1.889 174.196 176.094 -0.015 0.000 1.044 9 V CA -1.076 61.213 62.300 -0.018 0.000 1.095 9 V CB 0.725 32.528 31.823 -0.033 0.000 0.952 9 V HN 0.166 nan 8.190 nan 0.000 0.485 10 P HA 0.116 nan 4.420 nan 0.000 0.269 10 P C 0.617 177.911 177.300 -0.009 0.000 1.215 10 P CA -0.191 62.904 63.100 -0.007 0.000 0.780 10 P CB 0.481 32.177 31.700 -0.006 0.000 0.898 11 R N 2.612 123.112 120.500 0.000 0.000 2.105 11 R HA -0.188 4.156 4.340 0.007 0.000 0.239 11 R C 1.826 178.126 176.300 0.000 0.000 1.135 11 R CA 1.906 58.010 56.100 0.005 0.000 0.967 11 R CB -0.902 29.407 30.300 0.016 0.000 0.861 11 R HN 0.533 nan 8.270 nan 0.000 0.442 12 A N 0.039 122.858 122.820 -0.001 0.000 2.024 12 A HA -0.118 4.206 4.320 0.007 0.000 0.220 12 A C 1.983 179.560 177.584 -0.011 0.000 1.164 12 A CA 1.871 53.907 52.037 -0.002 0.000 0.643 12 A CB -0.267 18.732 19.000 -0.001 0.000 0.806 12 A HN 0.451 nan 8.150 nan 0.000 0.451 13 S N -0.721 114.966 115.700 -0.020 0.000 2.527 13 S HA 0.121 4.595 4.470 0.007 0.000 0.222 13 S C 0.500 175.047 174.600 -0.087 0.000 0.985 13 S CA 0.058 58.239 58.200 -0.032 0.000 0.921 13 S CB -0.062 63.127 63.200 -0.018 0.000 0.772 13 S HN 0.239 nan 8.310 nan 0.000 0.529 14 V N 5.510 125.370 119.914 -0.090 0.000 2.439 14 V HA 0.173 4.298 4.120 0.007 0.000 0.271 14 V C -1.990 174.049 176.094 -0.091 0.000 1.040 14 V CA -1.967 60.240 62.300 -0.155 0.000 1.002 14 V CB -0.108 31.679 31.823 -0.060 0.000 1.000 14 V HN 0.221 nan 8.190 nan 0.000 0.477 15 P HA 0.085 nan 4.420 nan 0.000 0.264 15 P C -0.092 177.244 177.300 0.060 0.000 1.193 15 P CA -0.205 62.876 63.100 -0.031 0.000 0.763 15 P CB 0.631 32.302 31.700 -0.049 0.000 0.810 16 E N 1.774 122.006 120.200 0.053 0.000 2.452 16 E HA 0.151 4.505 4.350 0.007 0.000 0.261 16 E C 1.565 178.220 176.600 0.093 0.000 0.987 16 E CA 1.239 57.681 56.400 0.070 0.000 0.926 16 E CB -0.149 29.579 29.700 0.047 0.000 0.934 16 E HN 0.824 nan 8.360 nan 0.000 0.452 17 G N 2.879 111.743 108.800 0.107 0.000 2.175 17 G HA2 -0.349 3.615 3.960 0.007 0.000 0.244 17 G HA3 -0.349 3.615 3.960 0.007 0.000 0.244 17 G C 0.657 175.654 174.900 0.160 0.000 0.982 17 G CA 0.224 45.387 45.100 0.105 0.000 0.641 17 G HN 0.499 nan 8.290 nan 0.000 0.527 18 F N 0.947 120.911 119.950 0.023 0.000 2.134 18 F HA 0.164 4.696 4.527 0.008 0.000 0.299 18 F C 2.399 178.225 175.800 0.043 0.000 1.097 18 F CA 2.096 60.114 58.000 0.028 0.000 1.264 18 F CB -0.413 38.604 39.000 0.029 0.000 1.001 18 F HN 0.167 nan 8.300 nan 0.000 0.479 19 L N -0.782 120.441 121.223 0.000 0.000 2.056 19 L HA -0.172 4.172 4.340 0.007 0.000 0.207 19 L C 2.770 179.593 176.870 -0.078 0.000 1.078 19 L CA 1.812 56.597 54.840 -0.091 0.000 0.749 19 L CB -1.278 40.791 42.059 0.016 0.000 0.901 19 L HN 0.107 nan 8.230 nan 0.000 0.433 20 S N -1.062 114.624 115.700 -0.023 0.000 2.383 20 S HA -0.213 4.261 4.470 0.007 0.000 0.227 20 S C 2.029 176.607 174.600 -0.036 0.000 1.026 20 S CA 1.314 59.503 58.200 -0.017 0.000 0.981 20 S CB -0.079 63.127 63.200 0.010 0.000 0.818 20 S HN 0.490 nan 8.310 nan 0.000 0.472 21 E N 0.419 120.595 120.200 -0.039 0.000 2.031 21 E HA -0.105 4.249 4.350 0.007 0.000 0.193 21 E C 2.074 178.610 176.600 -0.107 0.000 0.994 21 E CA 1.122 57.496 56.400 -0.043 0.000 0.800 21 E CB -0.192 29.518 29.700 0.017 0.000 0.752 21 E HN 0.460 nan 8.360 nan 0.000 0.447 22 L N 0.460 121.551 121.223 -0.219 0.000 2.042 22 L HA -0.211 4.133 4.340 0.007 0.000 0.210 22 L C 2.661 179.443 176.870 -0.147 0.000 1.076 22 L CA 1.604 56.302 54.840 -0.237 0.000 0.749 22 L CB -0.577 41.292 42.059 -0.316 0.000 0.893 22 L HN 0.256 nan 8.230 nan 0.000 0.432 23 T N -1.105 113.388 114.554 -0.101 0.000 2.635 23 T HA -0.336 4.018 4.350 0.007 0.000 0.267 23 T C 1.791 176.454 174.700 -0.062 0.000 1.040 23 T CA 1.841 63.904 62.100 -0.063 0.000 1.156 23 T CB -0.244 68.601 68.868 -0.038 0.000 0.863 23 T HN 0.382 nan 8.240 nan 0.000 0.430 24 Q N 0.252 120.020 119.800 -0.054 0.000 2.030 24 Q HA -0.195 4.149 4.340 0.007 0.000 0.204 24 Q C 2.474 178.444 176.000 -0.050 0.000 0.986 24 Q CA 1.352 57.130 55.803 -0.041 0.000 0.843 24 Q CB -0.077 28.643 28.738 -0.030 0.000 0.904 24 Q HN 0.449 nan 8.270 nan 0.000 0.420 25 Q N 0.082 119.841 119.800 -0.067 0.000 2.124 25 Q HA -0.137 4.207 4.340 0.007 0.000 0.202 25 Q C 2.234 178.179 176.000 -0.092 0.000 0.977 25 Q CA 1.094 56.854 55.803 -0.072 0.000 0.850 25 Q CB -0.158 28.528 28.738 -0.088 0.000 0.901 25 Q HN 0.465 nan 8.270 nan 0.000 0.429 26 L N -0.030 121.115 121.223 -0.131 0.000 2.156 26 L HA -0.090 4.254 4.340 0.007 0.000 0.208 26 L C 2.460 179.272 176.870 -0.096 0.000 1.095 26 L CA 0.767 55.511 54.840 -0.160 0.000 0.770 26 L CB -0.542 41.400 42.059 -0.194 0.000 0.914 26 L HN 0.101 nan 8.230 nan 0.000 0.439 27 A N -0.159 122.623 122.820 -0.063 0.000 1.858 27 A HA -0.259 4.065 4.320 0.007 0.000 0.216 27 A C 2.231 179.802 177.584 -0.021 0.000 1.190 27 A CA 1.648 53.665 52.037 -0.034 0.000 0.617 27 A CB -0.494 18.492 19.000 -0.024 0.000 0.827 27 A HN 0.454 nan 8.150 nan 0.000 0.443 28 Q N -0.710 119.078 119.800 -0.020 0.000 2.050 28 Q HA -0.103 4.241 4.340 0.007 0.000 0.202 28 Q C 2.426 178.433 176.000 0.012 0.000 0.980 28 Q CA 1.473 57.273 55.803 -0.005 0.000 0.840 28 Q CB -0.398 28.336 28.738 -0.007 0.000 0.898 28 Q HN 0.673 nan 8.270 nan 0.000 0.424 29 A N 0.897 123.727 122.820 0.016 0.000 1.969 29 A HA -0.150 4.174 4.320 0.007 0.000 0.218 29 A C 2.216 179.890 177.584 0.150 0.000 1.169 29 A CA 1.833 53.925 52.037 0.092 0.000 0.635 29 A CB -0.629 18.451 19.000 0.133 0.000 0.810 29 A HN 0.521 nan 8.150 nan 0.000 0.445 30 T N -4.873 109.716 114.554 0.058 0.000 3.044 30 T HA 0.396 4.750 4.350 0.007 0.000 0.250 30 T C 1.327 176.049 174.700 0.037 0.000 1.081 30 T CA 1.071 63.214 62.100 0.073 0.000 1.040 30 T CB -0.004 68.844 68.868 -0.032 0.000 0.962 30 T HN 1.697 nan 8.240 nan 0.000 0.506 31 G N 2.076 110.886 108.800 0.017 0.000 2.221 31 G HA2 -0.204 3.760 3.960 0.007 0.000 0.265 31 G HA3 -0.204 3.760 3.960 0.007 0.000 0.265 31 G C -0.198 174.698 174.900 -0.006 0.000 1.041 31 G CA 0.039 45.142 45.100 0.005 0.000 0.807 31 G HN 0.626 nan 8.290 nan 0.000 0.502 32 K N 0.147 120.540 120.400 -0.011 0.000 2.267 32 K HA 0.525 4.849 4.320 0.007 0.000 0.246 32 K C -2.526 174.083 176.600 0.016 0.000 0.954 32 K CA -2.023 54.257 56.287 -0.012 0.000 0.824 32 K CB 2.285 34.764 32.500 -0.036 0.000 1.167 32 K HN 0.025 nan 8.250 nan 0.000 0.431 33 P HA 0.027 nan 4.420 nan 0.000 0.268 33 P C 0.210 177.537 177.300 0.044 0.000 1.205 33 P CA 0.029 63.169 63.100 0.066 0.000 0.771 33 P CB 0.549 32.329 31.700 0.132 0.000 0.858 34 A N 3.203 126.024 122.820 0.002 0.000 2.131 34 A HA -0.212 4.112 4.320 0.007 0.000 0.220 34 A C 1.893 179.443 177.584 -0.057 0.000 1.158 34 A CA 1.168 53.192 52.037 -0.021 0.000 0.665 34 A CB -0.801 18.185 19.000 -0.023 0.000 0.795 34 A HN 0.578 nan 8.150 nan 0.000 0.460 35 Q N -1.039 118.693 119.800 -0.113 0.000 2.167 35 Q HA -0.157 4.187 4.340 0.007 0.000 0.202 35 Q C 0.614 176.336 176.000 -0.462 0.000 0.970 35 Q CA 1.378 57.009 55.803 -0.286 0.000 0.855 35 Q CB -0.737 27.769 28.738 -0.385 0.000 0.911 35 Q HN 0.821 nan 8.270 nan 0.000 0.438 36 Y N 0.242 120.485 120.300 -0.095 0.000 2.493 36 Y HA 0.348 4.901 4.550 0.005 0.000 0.275 36 Y C 0.609 176.448 175.900 -0.100 0.000 1.183 36 Y CA -0.504 57.504 58.100 -0.153 0.000 1.258 36 Y CB 0.487 38.803 38.460 -0.241 0.000 1.108 36 Y HN -0.042 nan 8.280 nan 0.000 0.521 37 I N 1.017 121.597 120.570 0.018 0.000 2.336 37 I HA 0.512 4.686 4.170 0.007 0.000 0.292 37 I C -0.029 176.105 176.117 0.028 0.000 0.991 37 I CA -0.811 60.502 61.300 0.021 0.000 1.227 37 I CB 1.158 39.158 38.000 0.001 0.000 1.366 37 I HN -0.014 nan 8.210 nan 0.000 0.466 38 A N 6.750 129.602 122.820 0.053 0.000 2.331 38 A HA 0.804 5.129 4.320 0.007 0.000 0.320 38 A C -0.823 176.816 177.584 0.092 0.000 1.138 38 A CA -0.475 51.599 52.037 0.063 0.000 0.790 38 A CB 1.430 20.471 19.000 0.068 0.000 1.206 38 A HN 0.451 nan 8.150 nan 0.000 0.470 39 V N 2.915 122.881 119.914 0.087 0.000 2.656 39 V HA 0.469 4.593 4.120 0.007 0.000 0.307 39 V C -0.525 175.652 176.094 0.139 0.000 1.051 39 V CA -0.426 61.944 62.300 0.117 0.000 0.893 39 V CB 1.787 33.655 31.823 0.076 0.000 0.999 39 V HN 1.000 nan 8.190 nan 0.000 0.426 40 H N 3.181 122.245 119.070 -0.010 0.000 2.840 40 H HA 0.740 5.300 4.556 0.007 0.000 0.340 40 H C -1.975 173.330 175.328 -0.039 0.000 1.004 40 H CA -0.547 55.489 56.048 -0.019 0.000 1.288 40 H CB 2.092 31.839 29.762 -0.025 0.000 1.607 40 H HN 0.472 nan 8.280 nan 0.000 0.522 41 V N 6.086 126.075 119.914 0.126 0.000 2.495 41 V HA 0.270 4.394 4.120 0.007 0.000 0.298 41 V C -0.445 175.646 176.094 -0.004 0.000 1.031 41 V CA -0.746 61.568 62.300 0.024 0.000 0.871 41 V CB 1.742 33.662 31.823 0.162 0.000 0.988 41 V HN 0.542 nan 8.190 nan 0.000 0.432 42 V N 7.275 127.130 119.914 -0.098 0.000 2.340 42 V HA 0.418 4.542 4.120 0.007 0.000 0.277 42 V C -2.236 173.840 176.094 -0.030 0.000 1.017 42 V CA -1.233 61.022 62.300 -0.076 0.000 0.820 42 V CB 1.562 33.278 31.823 -0.177 0.000 1.028 42 V HN 0.726 nan 8.190 nan 0.000 0.436 43 P HA 0.451 nan 4.420 nan 0.000 0.301 43 P C -0.398 176.904 177.300 0.003 0.000 1.309 43 P CA -0.214 62.888 63.100 0.003 0.000 0.782 43 P CB 0.849 32.556 31.700 0.010 0.000 1.282 44 D N -2.757 117.644 120.400 0.002 0.000 2.911 44 D HA -0.120 4.524 4.640 0.007 0.000 0.227 44 D C -0.080 176.223 176.300 0.005 0.000 1.164 44 D CA 1.070 55.072 54.000 0.004 0.000 0.782 44 D CB -0.946 39.859 40.800 0.008 0.000 1.094 44 D HN 0.365 nan 8.370 nan 0.000 0.425 45 Q N -0.064 119.738 119.800 0.003 0.000 2.306 45 Q HA 0.387 4.731 4.340 0.007 0.000 0.241 45 Q C 0.407 176.413 176.000 0.010 0.000 0.948 45 Q CA -0.707 55.100 55.803 0.006 0.000 0.886 45 Q CB 1.233 29.972 28.738 0.002 0.000 1.227 45 Q HN 0.239 nan 8.270 nan 0.000 0.457 46 L N 4.204 125.434 121.223 0.012 0.000 2.334 46 L HA 0.288 4.632 4.340 0.007 0.000 0.286 46 L C -0.745 176.137 176.870 0.020 0.000 1.108 46 L CA 0.625 55.474 54.840 0.015 0.000 0.875 46 L CB -0.536 41.531 42.059 0.013 0.000 1.246 46 L HN 0.557 nan 8.230 nan 0.000 0.439 47 M N 2.805 122.421 119.600 0.027 0.000 2.569 47 M HA 0.737 5.221 4.480 0.007 0.000 0.279 47 M C -0.539 175.793 176.300 0.053 0.000 1.253 47 M CA -0.720 54.604 55.300 0.041 0.000 0.867 47 M CB 2.178 34.810 32.600 0.054 0.000 1.727 47 M HN 0.367 nan 8.290 nan 0.000 0.467 48 T N -1.398 113.195 114.554 0.064 0.000 2.906 48 T HA 0.838 5.192 4.350 0.007 0.000 0.295 48 T C -1.481 173.300 174.700 0.135 0.000 1.075 48 T CA -0.622 61.528 62.100 0.084 0.000 1.005 48 T CB 2.436 71.334 68.868 0.050 0.000 1.136 48 T HN 0.635 nan 8.240 nan 0.000 0.498 49 F N 1.087 121.021 119.950 -0.028 0.000 2.607 49 F HA 0.504 5.035 4.527 0.007 0.000 0.322 49 F C 0.482 176.256 175.800 -0.042 0.000 1.176 49 F CA -0.516 57.452 58.000 -0.053 0.000 0.977 49 F CB 1.565 40.499 39.000 -0.109 0.000 1.242 49 F HN 0.921 nan 8.300 nan 0.000 0.465 50 S N 2.904 118.672 115.700 0.113 0.000 3.476 50 S HA -0.138 4.336 4.470 0.007 0.000 0.309 50 S C 1.158 175.799 174.600 0.069 0.000 1.222 50 S CA 1.397 59.661 58.200 0.108 0.000 0.922 50 S CB -1.833 61.476 63.200 0.181 0.000 1.023 50 S HN 2.295 nan 8.310 nan 0.000 0.591 51 G N -0.314 108.515 108.800 0.048 0.000 2.199 51 G HA2 -0.296 3.668 3.960 0.007 0.000 0.254 51 G HA3 -0.296 3.668 3.960 0.007 0.000 0.254 51 G C 0.200 175.127 174.900 0.044 0.000 0.982 51 G CA 0.917 46.039 45.100 0.036 0.000 0.632 51 G HN 1.779 nan 8.290 nan 0.000 0.529 52 T N -1.855 112.737 114.554 0.063 0.000 2.940 52 T HA 0.579 4.933 4.350 0.007 0.000 0.288 52 T C 0.522 175.252 174.700 0.051 0.000 1.045 52 T CA 0.129 62.257 62.100 0.047 0.000 1.018 52 T CB 1.636 70.526 68.868 0.037 0.000 1.151 52 T HN 0.591 nan 8.240 nan 0.000 0.529 53 N N -0.733 117.985 118.700 0.030 0.000 2.273 53 N HA 0.165 4.909 4.740 0.007 0.000 0.231 53 N C -0.643 174.874 175.510 0.011 0.000 1.134 53 N CA -0.537 52.529 53.050 0.025 0.000 0.856 53 N CB -0.028 38.471 38.487 0.019 0.000 1.068 53 N HN 0.480 nan 8.380 nan 0.000 0.510 54 D N 1.421 121.823 120.400 0.003 0.000 2.361 54 D HA 0.138 4.782 4.640 0.007 0.000 0.239 54 D C -2.216 174.066 176.300 -0.031 0.000 1.200 54 D CA -1.066 52.923 54.000 -0.018 0.000 0.915 54 D CB 0.454 41.235 40.800 -0.031 0.000 1.170 54 D HN 0.123 nan 8.370 nan 0.000 0.444 55 P HA -0.032 nan 4.420 nan 0.000 0.260 55 P C -0.361 176.880 177.300 -0.099 0.000 1.172 55 P CA 0.136 63.206 63.100 -0.050 0.000 0.760 55 P CB 0.191 31.867 31.700 -0.040 0.000 0.773 56 C N 1.545 120.794 119.300 -0.084 0.000 3.340 56 C HA 0.969 5.433 4.460 0.007 0.000 0.333 56 C C -0.986 173.969 174.990 -0.059 0.000 1.464 56 C CA -0.973 57.959 59.018 -0.143 0.000 1.337 56 C CB 1.283 28.965 27.740 -0.095 0.000 1.740 56 C HN 0.659 nan 8.230 nan 0.000 0.450 57 A N 0.486 123.281 122.820 -0.042 0.000 2.589 57 A HA 0.825 5.149 4.320 0.007 0.000 0.296 57 A C -1.737 175.899 177.584 0.086 0.000 1.062 57 A CA -0.466 51.583 52.037 0.019 0.000 0.686 57 A CB 1.021 20.028 19.000 0.011 0.000 1.282 57 A HN 1.140 nan 8.150 nan 0.000 0.404 58 L N 1.182 122.452 121.223 0.078 0.000 2.372 58 L HA 0.540 4.884 4.340 0.007 0.000 0.274 58 L C -0.956 175.926 176.870 0.020 0.000 0.988 58 L CA -0.477 54.434 54.840 0.119 0.000 0.833 58 L CB 1.587 43.725 42.059 0.131 0.000 1.236 58 L HN 0.776 nan 8.230 nan 0.000 0.410 59 C N 0.957 120.265 119.300 0.013 0.000 2.667 59 C HA 0.812 5.276 4.460 0.007 0.000 0.323 59 C C 0.236 175.181 174.990 -0.076 0.000 1.214 59 C CA -0.641 58.307 59.018 -0.116 0.000 1.721 59 C CB 2.041 29.735 27.740 -0.077 0.000 2.275 59 C HN 0.784 nan 8.230 nan 0.000 0.491 60 S N 0.821 116.450 115.700 -0.118 0.000 2.536 60 S HA 0.781 5.255 4.470 0.007 0.000 0.287 60 S C -1.360 173.303 174.600 0.105 0.000 1.101 60 S CA -0.415 57.798 58.200 0.021 0.000 0.950 60 S CB 1.624 64.938 63.200 0.189 0.000 1.056 60 S HN 0.631 nan 8.310 nan 0.000 0.481 61 L N 3.528 124.794 121.223 0.073 0.000 2.404 61 L HA 0.600 4.944 4.340 0.007 0.000 0.272 61 L C -1.677 175.281 176.870 0.147 0.000 0.980 61 L CA -0.129 54.846 54.840 0.226 0.000 0.836 61 L CB 0.939 43.136 42.059 0.230 0.000 1.238 61 L HN 0.714 nan 8.230 nan 0.000 0.408 62 H N 2.610 121.816 119.070 0.228 0.000 2.459 62 H HA 0.835 5.395 4.556 0.007 0.000 0.332 62 H C -0.662 174.730 175.328 0.105 0.000 1.094 62 H CA -0.278 55.891 56.048 0.203 0.000 1.224 62 H CB 1.905 31.738 29.762 0.118 0.000 1.449 62 H HN 0.614 nan 8.280 nan 0.000 0.484 63 S N 2.089 117.898 115.700 0.182 0.000 2.550 63 S HA 0.450 4.924 4.470 0.007 0.000 0.270 63 S C -1.074 173.547 174.600 0.035 0.000 1.145 63 S CA -0.800 57.440 58.200 0.067 0.000 0.852 63 S CB 0.836 64.059 63.200 0.040 0.000 1.119 63 S HN 0.553 nan 8.310 nan 0.000 0.465 64 I N 4.035 124.570 120.570 -0.057 0.000 2.269 64 I HA 0.485 4.659 4.170 0.007 0.000 0.293 64 I C 1.040 177.122 176.117 -0.060 0.000 1.106 64 I CA 0.386 61.637 61.300 -0.081 0.000 1.248 64 I CB -0.187 37.687 38.000 -0.210 0.000 1.444 64 I HN 1.006 nan 8.210 nan 0.000 0.497 65 G N 5.810 114.603 108.800 -0.011 0.000 2.782 65 G HA2 -0.226 3.738 3.960 0.007 0.000 0.228 65 G HA3 -0.226 3.738 3.960 0.007 0.000 0.228 65 G C 0.250 175.162 174.900 0.019 0.000 1.372 65 G CA -0.698 44.398 45.100 -0.006 0.000 0.862 65 G HN 0.617 nan 8.290 nan 0.000 0.547 66 K N -2.090 118.325 120.400 0.024 0.000 3.160 66 K HA -0.173 4.151 4.320 0.007 0.000 0.280 66 K C 0.370 177.048 176.600 0.130 0.000 1.154 66 K CA 1.705 58.032 56.287 0.066 0.000 0.822 66 K CB -1.583 30.974 32.500 0.094 0.000 1.239 66 K HN 0.887 nan 8.250 nan 0.000 0.489 67 I N 0.064 120.677 120.570 0.072 0.000 2.545 67 I HA 0.706 4.881 4.170 0.007 0.000 0.292 67 I C 0.914 177.014 176.117 -0.028 0.000 1.040 67 I CA 0.022 61.360 61.300 0.063 0.000 1.068 67 I CB 1.843 39.898 38.000 0.092 0.000 1.251 67 I HN 0.310 nan 8.210 nan 0.000 0.424 68 G N 2.959 111.697 108.800 -0.104 0.000 2.320 68 G HA2 0.357 4.321 3.960 0.007 0.000 0.297 68 G HA3 0.357 4.321 3.960 0.007 0.000 0.297 68 G C 0.373 175.174 174.900 -0.165 0.000 1.344 68 G CA -0.174 44.862 45.100 -0.107 0.000 0.851 68 G HN 0.796 nan 8.290 nan 0.000 0.567 69 G N 0.316 109.041 108.800 -0.124 0.000 2.812 69 G HA2 0.086 4.051 3.960 0.007 0.000 0.218 69 G HA3 0.086 4.051 3.960 0.007 0.000 0.218 69 G C 2.143 176.944 174.900 -0.165 0.000 1.287 69 G CA 3.515 48.542 45.100 -0.122 0.000 0.796 69 G HN 1.911 nan 8.290 nan 0.000 0.649 70 A N -0.197 122.527 122.820 -0.160 0.000 1.902 70 A HA -0.084 4.240 4.320 0.007 0.000 0.217 70 A C 2.438 179.847 177.584 -0.291 0.000 1.181 70 A CA 2.317 54.244 52.037 -0.183 0.000 0.623 70 A CB -0.494 18.419 19.000 -0.145 0.000 0.818 70 A HN 0.472 nan 8.150 nan 0.000 0.443 71 Q N 0.207 119.787 119.800 -0.366 0.000 2.084 71 Q HA -0.132 4.213 4.340 0.007 0.000 0.202 71 Q C 1.802 177.218 176.000 -0.973 0.000 0.978 71 Q CA 1.710 57.113 55.803 -0.668 0.000 0.844 71 Q CB -0.258 28.132 28.738 -0.580 0.000 0.898 71 Q HN 0.656 nan 8.270 nan 0.000 0.426 72 N N 0.193 118.492 118.700 -0.669 0.000 2.244 72 N HA -0.080 4.664 4.740 0.007 0.000 0.183 72 N C 1.406 176.653 175.510 -0.437 0.000 1.016 72 N CA 0.869 53.460 53.050 -0.766 0.000 0.866 72 N CB -0.086 37.933 38.487 -0.779 0.000 0.980 72 N HN 0.208 nan 8.380 nan 0.000 0.430 73 R N 0.701 121.023 120.500 -0.295 0.000 2.083 73 R HA 0.019 4.363 4.340 0.007 0.000 0.237 73 R C 1.681 177.893 176.300 -0.146 0.000 1.137 73 R CA 1.060 57.066 56.100 -0.156 0.000 0.951 73 R CB -0.212 30.008 30.300 -0.134 0.000 0.851 73 R HN 0.335 nan 8.270 nan 0.000 0.434 74 N N -0.103 118.444 118.700 -0.254 0.000 2.084 74 N HA -0.170 4.574 4.740 0.007 0.000 0.190 74 N C 1.754 177.218 175.510 -0.076 0.000 1.030 74 N CA 1.370 54.303 53.050 -0.195 0.000 0.849 74 N CB -0.264 38.062 38.487 -0.269 0.000 1.012 74 N HN 0.220 nan 8.380 nan 0.000 0.423 75 Y N 1.755 121.999 120.300 -0.094 0.000 2.224 75 Y HA -0.041 4.513 4.550 0.007 0.000 0.289 75 Y C 2.753 178.688 175.900 0.058 0.000 1.146 75 Y CA 0.350 58.428 58.100 -0.037 0.000 1.182 75 Y CB -0.914 37.522 38.460 -0.040 0.000 0.983 75 Y HN 0.006 nan 8.280 nan 0.000 0.524 76 S N 0.013 115.855 115.700 0.238 0.000 2.383 76 S HA -0.149 4.326 4.470 0.007 0.000 0.227 76 S C 1.901 176.582 174.600 0.135 0.000 1.026 76 S CA 1.142 59.487 58.200 0.241 0.000 0.981 76 S CB -0.148 63.185 63.200 0.223 0.000 0.818 76 S HN 0.487 nan 8.310 nan 0.000 0.472 77 K N 1.164 121.612 120.400 0.079 0.000 2.002 77 K HA -0.078 4.246 4.320 0.007 0.000 0.209 77 K C 2.193 178.826 176.600 0.055 0.000 1.048 77 K CA 1.191 57.508 56.287 0.051 0.000 0.930 77 K CB -0.652 31.860 32.500 0.020 0.000 0.714 77 K HN 0.216 nan 8.250 nan 0.000 0.438 78 L N 1.351 122.610 121.223 0.060 0.000 1.989 78 L HA -0.191 4.153 4.340 0.007 0.000 0.211 78 L C 2.077 178.970 176.870 0.039 0.000 1.071 78 L CA 1.598 56.465 54.840 0.045 0.000 0.749 78 L CB -0.409 41.681 42.059 0.052 0.000 0.890 78 L HN 0.051 nan 8.230 nan 0.000 0.431 79 L N -0.796 120.457 121.223 0.049 0.000 2.109 79 L HA -0.154 4.190 4.340 0.007 0.000 0.207 79 L C 2.595 179.524 176.870 0.099 0.000 1.086 79 L CA 1.359 56.222 54.840 0.039 0.000 0.760 79 L CB -1.506 40.565 42.059 0.019 0.000 0.910 79 L HN 0.434 nan 8.230 nan 0.000 0.437 80 C N -0.713 118.647 119.300 0.100 0.000 2.440 80 C HA -0.030 4.434 4.460 0.007 0.000 0.278 80 C C 2.807 177.831 174.990 0.056 0.000 1.295 80 C CA 0.588 59.655 59.018 0.082 0.000 1.738 80 C CB -1.523 26.259 27.740 0.071 0.000 1.987 80 C HN 0.662 nan 8.230 nan 0.000 0.492 81 G N 0.194 109.023 108.800 0.049 0.000 2.402 81 G HA2 -0.128 3.837 3.960 0.007 0.000 0.216 81 G HA3 -0.128 3.837 3.960 0.007 0.000 0.216 81 G C 1.424 176.348 174.900 0.040 0.000 1.162 81 G CA 0.542 45.663 45.100 0.035 0.000 0.777 81 G HN 0.352 nan 8.290 nan 0.000 0.539 82 L N 0.406 121.666 121.223 0.062 0.000 2.093 82 L HA 0.139 4.484 4.340 0.007 0.000 0.208 82 L C 2.865 179.811 176.870 0.125 0.000 1.085 82 L CA 1.042 55.942 54.840 0.099 0.000 0.755 82 L CB -0.697 41.434 42.059 0.121 0.000 0.904 82 L HN 0.190 nan 8.230 nan 0.000 0.435 83 L N -2.063 119.236 121.223 0.127 0.000 2.109 83 L HA -0.162 4.182 4.340 0.007 0.000 0.207 83 L C 2.648 179.504 176.870 -0.023 0.000 1.086 83 L CA 1.216 56.110 54.840 0.091 0.000 0.760 83 L CB -0.677 41.451 42.059 0.115 0.000 0.910 83 L HN 0.242 nan 8.230 nan 0.000 0.437 84 S N -0.123 115.571 115.700 -0.010 0.000 2.356 84 S HA -0.197 4.277 4.470 0.007 0.000 0.223 84 S C 1.646 176.198 174.600 -0.080 0.000 1.032 84 S CA 1.659 59.840 58.200 -0.032 0.000 1.005 84 S CB -0.173 63.025 63.200 -0.004 0.000 0.867 84 S HN 0.389 nan 8.310 nan 0.000 0.449 85 D N 0.691 121.049 120.400 -0.070 0.000 2.117 85 D HA -0.012 4.632 4.640 0.007 0.000 0.198 85 D C 2.213 178.336 176.300 -0.294 0.000 0.982 85 D CA 0.957 54.893 54.000 -0.106 0.000 0.828 85 D CB -0.125 40.655 40.800 -0.033 0.000 0.967 85 D HN 0.355 nan 8.370 nan 0.000 0.464 86 R N -0.333 119.996 120.500 -0.285 0.000 2.206 86 R HA 0.244 4.588 4.340 0.007 0.000 0.198 86 R C 2.040 177.992 176.300 -0.580 0.000 0.986 86 R CA 0.097 55.965 56.100 -0.387 0.000 1.029 86 R CB 0.243 30.394 30.300 -0.249 0.000 0.966 86 R HN 0.245 nan 8.270 nan 0.000 0.487 87 L N -0.709 120.218 121.223 -0.492 0.000 2.638 87 L HA 0.195 4.539 4.340 0.007 0.000 0.232 87 L C -0.420 176.323 176.870 -0.212 0.000 1.099 87 L CA 0.057 54.684 54.840 -0.356 0.000 0.883 87 L CB -0.095 41.821 42.059 -0.239 0.000 1.136 87 L HN 0.310 nan 8.230 nan 0.000 0.492 88 H N -0.589 118.436 119.070 -0.075 0.000 2.882 88 H HA -0.111 4.449 4.556 0.007 0.000 0.314 88 H C -0.350 174.940 175.328 -0.064 0.000 1.270 88 H CA 0.095 56.107 56.048 -0.060 0.000 1.165 88 H CB -1.965 27.762 29.762 -0.057 0.000 1.436 88 H HN 0.208 nan 8.280 nan 0.000 0.431 89 I N 0.600 121.163 120.570 -0.012 0.000 2.354 89 I HA 0.173 4.347 4.170 0.007 0.000 0.292 89 I C 0.660 176.742 176.117 -0.059 0.000 0.989 89 I CA -0.443 60.830 61.300 -0.046 0.000 1.188 89 I CB 1.665 39.625 38.000 -0.066 0.000 1.342 89 I HN 0.321 nan 8.210 nan 0.000 0.457 90 S N 7.311 122.961 115.700 -0.083 0.000 2.558 90 S HA 0.108 4.582 4.470 0.007 0.000 0.288 90 S C -1.483 173.043 174.600 -0.124 0.000 1.318 90 S CA -0.816 57.329 58.200 -0.092 0.000 1.056 90 S CB 0.718 63.850 63.200 -0.112 0.000 0.853 90 S HN 0.393 nan 8.310 nan 0.000 0.505 91 P HA -0.034 nan 4.420 nan 0.000 0.226 91 P C 0.459 177.695 177.300 -0.107 0.000 1.153 91 P CA 0.811 63.870 63.100 -0.068 0.000 0.777 91 P CB -0.103 31.585 31.700 -0.019 0.000 0.794 92 D N -1.343 118.971 120.400 -0.143 0.000 2.340 92 D HA -0.061 4.584 4.640 0.007 0.000 0.220 92 D C 1.073 177.110 176.300 -0.438 0.000 1.039 92 D CA 0.345 54.243 54.000 -0.170 0.000 0.866 92 D CB -0.536 40.211 40.800 -0.088 0.000 0.913 92 D HN 0.127 nan 8.370 nan 0.000 0.523 93 R N 0.088 120.212 120.500 -0.626 0.000 2.652 93 R HA 0.339 4.683 4.340 0.007 0.000 0.372 93 R C -0.831 174.828 176.300 -1.068 0.000 1.104 93 R CA -0.253 55.030 56.100 -1.361 0.000 1.072 93 R CB 1.333 31.089 30.300 -0.907 0.000 1.367 93 R HN 0.011 nan 8.270 nan 0.000 0.577 94 V N 1.248 120.820 119.914 -0.570 0.000 2.555 94 V HA 0.478 4.602 4.120 0.007 0.000 0.302 94 V C -0.788 175.300 176.094 -0.010 0.000 1.038 94 V CA -0.714 61.473 62.300 -0.188 0.000 0.887 94 V CB 1.860 33.659 31.823 -0.040 0.000 0.991 94 V HN 0.011 nan 8.190 nan 0.000 0.434 95 F N 4.203 124.281 119.950 0.213 0.000 2.520 95 F HA 0.691 5.221 4.527 0.007 0.000 0.322 95 F C -0.054 175.775 175.800 0.049 0.000 1.103 95 F CA -1.362 56.730 58.000 0.154 0.000 0.926 95 F CB 1.815 40.900 39.000 0.142 0.000 1.154 95 F HN 0.214 nan 8.300 nan 0.000 0.453 96 I N 3.666 124.347 120.570 0.186 0.000 2.418 96 I HA 0.327 4.501 4.170 0.007 0.000 0.287 96 I C -0.728 175.185 176.117 -0.340 0.000 1.008 96 I CA -0.746 60.502 61.300 -0.086 0.000 1.104 96 I CB 1.514 39.416 38.000 -0.163 0.000 1.264 96 I HN 0.387 nan 8.210 nan 0.000 0.438 97 N N 5.383 123.865 118.700 -0.363 0.000 2.438 97 N HA 0.376 5.120 4.740 0.007 0.000 0.282 97 N C -1.304 173.747 175.510 -0.765 0.000 1.037 97 N CA -0.313 52.444 53.050 -0.489 0.000 0.942 97 N CB 1.107 39.413 38.487 -0.302 0.000 1.136 97 N HN 0.313 nan 8.380 nan 0.000 0.481 98 Y N 1.653 121.693 120.300 -0.433 0.000 2.331 98 Y HA 0.362 4.916 4.550 0.007 0.000 0.338 98 Y C -0.579 174.972 175.900 -0.581 0.000 0.992 98 Y CA -0.583 57.317 58.100 -0.334 0.000 1.121 98 Y CB 0.884 39.282 38.460 -0.104 0.000 1.184 98 Y HN 0.381 nan 8.280 nan 0.000 0.469 99 Y N 1.409 121.691 120.300 -0.030 0.000 2.326 99 Y HA 0.237 4.791 4.550 0.007 0.000 0.331 99 Y C -0.374 175.547 175.900 0.036 0.000 0.962 99 Y CA -1.442 56.627 58.100 -0.053 0.000 1.167 99 Y CB 1.338 39.668 38.460 -0.217 0.000 1.148 99 Y HN 0.507 nan 8.280 nan 0.000 0.463 100 D N 4.164 124.671 120.400 0.179 0.000 2.352 100 D HA 0.181 4.825 4.640 0.007 0.000 0.245 100 D C -0.562 175.822 176.300 0.140 0.000 1.224 100 D CA -0.074 54.004 54.000 0.130 0.000 0.879 100 D CB 0.560 41.409 40.800 0.081 0.000 1.057 100 D HN 0.290 nan 8.370 nan 0.000 0.491 101 M N 2.933 122.611 119.600 0.130 0.000 2.233 101 M HA 0.202 4.686 4.480 0.007 0.000 0.355 101 M C 0.508 176.849 176.300 0.069 0.000 1.191 101 M CA -0.587 54.783 55.300 0.116 0.000 1.101 101 M CB 0.958 33.629 32.600 0.118 0.000 1.592 101 M HN 0.346 nan 8.290 nan 0.000 0.461 102 N N 1.226 119.968 118.700 0.069 0.000 2.518 102 N HA 0.174 4.918 4.740 0.007 0.000 0.266 102 N C 0.581 176.127 175.510 0.060 0.000 1.196 102 N CA 0.245 53.327 53.050 0.053 0.000 0.947 102 N CB 1.358 39.877 38.487 0.053 0.000 1.098 102 N HN 0.740 nan 8.380 nan 0.000 0.450 103 A N 3.494 126.346 122.820 0.054 0.000 2.019 103 A HA -0.070 4.254 4.320 0.007 0.000 0.219 103 A C 1.934 179.603 177.584 0.141 0.000 1.164 103 A CA 1.763 53.854 52.037 0.091 0.000 0.644 103 A CB -0.559 18.491 19.000 0.083 0.000 0.805 103 A HN 0.775 nan 8.150 nan 0.000 0.449 104 A N -0.414 122.465 122.820 0.098 0.000 2.168 104 A HA -0.019 4.305 4.320 0.007 0.000 0.215 104 A C 1.331 178.968 177.584 0.088 0.000 1.152 104 A CA 0.995 53.086 52.037 0.090 0.000 0.716 104 A CB -0.260 18.777 19.000 0.062 0.000 0.794 104 A HN 0.486 nan 8.150 nan 0.000 0.465 105 N N -0.183 118.572 118.700 0.091 0.000 2.238 105 N HA 0.183 4.927 4.740 0.007 0.000 0.222 105 N C -0.839 174.731 175.510 0.100 0.000 1.133 105 N CA 0.294 53.392 53.050 0.080 0.000 0.854 105 N CB 1.214 39.740 38.487 0.064 0.000 1.041 105 N HN 0.139 nan 8.380 nan 0.000 0.510 106 V N 0.450 120.459 119.914 0.158 0.000 2.376 106 V HA 0.555 4.679 4.120 0.007 0.000 0.287 106 V C 0.572 176.832 176.094 0.276 0.000 1.015 106 V CA -1.078 61.356 62.300 0.223 0.000 0.834 106 V CB 1.367 33.359 31.823 0.281 0.000 1.001 106 V HN 0.100 nan 8.190 nan 0.000 0.428 107 G N 3.180 112.095 108.800 0.191 0.000 2.377 107 G HA2 0.561 4.525 3.960 0.007 0.000 0.299 107 G HA3 0.561 4.525 3.960 0.007 0.000 0.299 107 G C -1.549 173.488 174.900 0.229 0.000 1.150 107 G CA -0.421 44.763 45.100 0.140 0.000 0.847 107 G HN 0.833 nan 8.290 nan 0.000 0.501 108 W N 2.262 123.504 121.300 -0.098 0.000 4.020 108 W HA 0.384 5.046 4.660 0.004 0.000 0.293 108 W C -0.085 176.337 176.519 -0.160 0.000 1.236 108 W CA -0.877 56.401 57.345 -0.113 0.000 1.265 108 W CB 0.310 29.653 29.460 -0.196 0.000 1.248 108 W HN 0.818 nan 8.180 nan 0.000 0.501 109 N N 4.186 122.368 118.700 -0.864 0.000 2.754 109 N HA -0.201 4.544 4.740 0.007 0.000 0.248 109 N C 0.995 176.217 175.510 -0.479 0.000 1.093 109 N CA 1.664 54.147 53.050 -0.945 0.000 0.699 109 N CB -1.059 36.387 38.487 -1.736 0.000 1.016 109 N HN 1.820 nan 8.380 nan 0.000 0.552 110 G N -1.833 106.793 108.800 -0.289 0.000 2.162 110 G HA2 -0.301 3.663 3.960 0.007 0.000 0.260 110 G HA3 -0.301 3.663 3.960 0.007 0.000 0.260 110 G C 0.006 174.824 174.900 -0.137 0.000 0.976 110 G CA 1.015 46.008 45.100 -0.178 0.000 0.655 110 G HN 0.749 nan 8.290 nan 0.000 0.533 111 S N -1.838 113.776 115.700 -0.143 0.000 2.998 111 S HA 0.880 5.355 4.470 0.007 0.000 0.321 111 S C 0.237 174.804 174.600 -0.055 0.000 1.171 111 S CA 0.978 59.125 58.200 -0.088 0.000 0.882 111 S CB 1.291 64.435 63.200 -0.092 0.000 1.301 111 S HN 1.344 nan 8.310 nan 0.000 0.629 112 T N -1.051 113.485 114.554 -0.029 0.000 2.883 112 T HA 0.631 4.986 4.350 0.007 0.000 0.284 112 T C -0.174 174.521 174.700 -0.009 0.000 1.041 112 T CA -0.419 61.693 62.100 0.019 0.000 1.007 112 T CB 0.549 69.463 68.868 0.078 0.000 1.220 112 T HN 0.333 nan 8.240 nan 0.000 0.552 113 F N 0.863 120.872 119.950 0.098 0.000 2.797 113 F HA 0.527 5.057 4.527 0.005 0.000 0.302 113 F C 1.737 177.555 175.800 0.029 0.000 1.130 113 F CA -0.239 57.798 58.000 0.062 0.000 1.387 113 F CB -0.471 38.525 39.000 -0.006 0.000 1.107 113 F HN 0.807 nan 8.300 nan 0.000 0.577 114 A N 0.000 122.927 122.820 0.178 0.000 2.254 114 A HA 0.000 4.324 4.320 0.007 0.000 0.244 114 A CA 0.000 52.105 52.037 0.114 0.000 0.836 114 A CB 0.000 19.050 19.000 0.083 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486