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 2gdg_1_B DATA FIRST_RESID 1 DATA SEQUENCE PMFIVNTNVP RASVPEGFLS ELTQQLAQAT GKPAQYIAVH VVPDQLMTFS DATA SEQUENCE GTNDPCALCS LHSIGKIGGA QNRNYSKLLC GLLSDRLHIS PDRVYINYYD 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 0.000 177.311 177.300 0.018 0.000 1.155 1 P CA 0.000 63.076 63.100 -0.040 0.000 0.800 1 P CB 0.000 31.669 31.700 -0.051 0.000 0.726 2 M N 0.486 120.140 119.600 0.090 0.000 2.267 2 M HA 0.677 5.158 4.480 0.002 0.000 0.289 2 M C -1.722 174.724 176.300 0.244 0.000 1.043 2 M CA -0.505 54.869 55.300 0.124 0.000 0.928 2 M CB 2.573 35.213 32.600 0.068 0.000 1.613 2 M HN 0.295 nan 8.290 nan 0.000 0.450 3 F N 4.253 124.225 119.950 0.037 0.000 2.482 3 F HA 0.800 5.328 4.527 0.001 0.000 0.331 3 F C -1.612 174.220 175.800 0.053 0.000 1.115 3 F CA -1.339 56.677 58.000 0.028 0.000 0.955 3 F CB 1.287 40.266 39.000 -0.036 0.000 1.136 3 F HN 0.630 nan 8.300 nan 0.000 0.452 4 I N 6.212 126.389 120.570 -0.655 0.000 2.545 4 I HA 0.506 4.678 4.170 0.002 0.000 0.292 4 I C -1.239 174.399 176.117 -0.797 0.000 1.040 4 I CA -1.082 59.904 61.300 -0.524 0.000 1.068 4 I CB 2.117 39.987 38.000 -0.216 0.000 1.251 4 I HN 0.218 nan 8.210 nan 0.000 0.424 5 V N 5.710 125.295 119.914 -0.548 0.000 2.487 5 V HA 0.418 4.539 4.120 0.002 0.000 0.298 5 V C -0.464 175.501 176.094 -0.214 0.000 1.028 5 V CA -0.727 61.371 62.300 -0.336 0.000 0.860 5 V CB 1.829 33.585 31.823 -0.112 0.000 0.991 5 V HN 0.674 nan 8.190 nan 0.000 0.427 6 N N 2.473 121.086 118.700 -0.145 0.000 2.392 6 N HA 0.609 5.350 4.740 0.002 0.000 0.283 6 N C -0.706 174.786 175.510 -0.031 0.000 1.003 6 N CA -0.258 52.734 53.050 -0.096 0.000 0.892 6 N CB 2.571 41.012 38.487 -0.077 0.000 1.193 6 N HN 0.673 nan 8.380 nan 0.000 0.487 7 T N -0.055 114.486 114.554 -0.022 0.000 2.868 7 T HA 0.184 4.536 4.350 0.002 0.000 0.306 7 T C 0.114 174.814 174.700 -0.001 0.000 1.224 7 T CA -0.694 61.406 62.100 0.000 0.000 1.012 7 T CB 0.835 69.700 68.868 -0.004 0.000 1.221 7 T HN 0.575 nan 8.240 nan 0.000 0.499 8 N N 1.979 120.684 118.700 0.008 0.000 2.398 8 N HA 0.070 4.811 4.740 0.002 0.000 0.188 8 N C 0.367 175.875 175.510 -0.003 0.000 1.122 8 N CA -0.045 53.009 53.050 0.006 0.000 0.866 8 N CB -0.302 38.195 38.487 0.017 0.000 0.970 8 N HN 0.307 nan 8.380 nan 0.000 0.462 9 V N 3.078 122.983 119.914 -0.014 0.000 2.655 9 V HA 0.144 4.266 4.120 0.002 0.000 0.300 9 V C -1.771 174.310 176.094 -0.022 0.000 1.044 9 V CA -1.089 61.196 62.300 -0.025 0.000 1.095 9 V CB 0.806 32.597 31.823 -0.054 0.000 0.952 9 V HN 0.219 nan 8.190 nan 0.000 0.485 10 P HA 0.142 nan 4.420 nan 0.000 0.274 10 P C 0.547 177.837 177.300 -0.017 0.000 1.237 10 P CA -0.504 62.589 63.100 -0.012 0.000 0.793 10 P CB 0.557 32.253 31.700 -0.007 0.000 0.977 11 R N 1.878 122.374 120.500 -0.007 0.000 2.103 11 R HA -0.180 4.161 4.340 0.002 0.000 0.242 11 R C 1.765 178.059 176.300 -0.009 0.000 1.142 11 R CA 2.084 58.182 56.100 -0.004 0.000 0.960 11 R CB -1.710 28.595 30.300 0.008 0.000 0.858 11 R HN 0.391 nan 8.270 nan 0.000 0.439 12 A N 0.546 123.362 122.820 -0.007 0.000 2.168 12 A HA 0.050 4.371 4.320 0.002 0.000 0.215 12 A C 1.702 179.276 177.584 -0.017 0.000 1.152 12 A CA 1.058 53.091 52.037 -0.007 0.000 0.716 12 A CB -0.109 18.890 19.000 -0.002 0.000 0.794 12 A HN 0.416 nan 8.150 nan 0.000 0.465 13 S N -0.637 115.044 115.700 -0.031 0.000 2.575 13 S HA 0.180 4.651 4.470 0.002 0.000 0.215 13 S C 0.245 174.776 174.600 -0.115 0.000 0.966 13 S CA -0.085 58.086 58.200 -0.048 0.000 0.911 13 S CB 0.132 63.311 63.200 -0.035 0.000 0.780 13 S HN 0.201 nan 8.310 nan 0.000 0.514 14 V N 5.403 125.254 119.914 -0.105 0.000 2.318 14 V HA 0.282 4.403 4.120 0.002 0.000 0.271 14 V C -1.978 174.053 176.094 -0.104 0.000 1.030 14 V CA -2.083 60.113 62.300 -0.173 0.000 0.844 14 V CB 0.673 32.441 31.823 -0.092 0.000 1.015 14 V HN 0.211 nan 8.190 nan 0.000 0.460 15 P HA 0.123 nan 4.420 nan 0.000 0.272 15 P C -0.021 177.301 177.300 0.037 0.000 1.223 15 P CA -0.286 62.789 63.100 -0.042 0.000 0.784 15 P CB 0.752 32.420 31.700 -0.054 0.000 0.923 16 E N 0.955 121.184 120.200 0.048 0.000 2.418 16 E HA 0.110 4.461 4.350 0.002 0.000 0.261 16 E C 0.905 177.565 176.600 0.101 0.000 1.070 16 E CA 0.344 56.787 56.400 0.072 0.000 0.931 16 E CB -0.393 29.336 29.700 0.048 0.000 0.954 16 E HN 0.814 nan 8.360 nan 0.000 0.439 17 G N 2.115 110.980 108.800 0.109 0.000 2.225 17 G HA2 -0.367 3.594 3.960 0.002 0.000 0.254 17 G HA3 -0.367 3.594 3.960 0.002 0.000 0.254 17 G C 0.374 175.372 174.900 0.164 0.000 0.988 17 G CA 0.278 45.440 45.100 0.104 0.000 0.625 17 G HN 0.536 nan 8.290 nan 0.000 0.527 18 F N 1.055 121.017 119.950 0.020 0.000 2.186 18 F HA 0.291 4.819 4.527 0.002 0.000 0.299 18 F C 2.290 178.116 175.800 0.043 0.000 1.090 18 F CA 1.838 59.853 58.000 0.025 0.000 1.307 18 F CB -0.251 38.762 39.000 0.021 0.000 1.019 18 F HN 0.158 nan 8.300 nan 0.000 0.489 19 L N -0.742 120.487 121.223 0.010 0.000 2.156 19 L HA -0.111 4.230 4.340 0.002 0.000 0.208 19 L C 2.749 179.575 176.870 -0.074 0.000 1.095 19 L CA 1.610 56.401 54.840 -0.081 0.000 0.770 19 L CB -1.082 40.993 42.059 0.026 0.000 0.914 19 L HN 0.190 nan 8.230 nan 0.000 0.439 20 S N -0.735 114.951 115.700 -0.024 0.000 2.387 20 S HA -0.146 4.325 4.470 0.002 0.000 0.226 20 S C 1.910 176.483 174.600 -0.045 0.000 1.026 20 S CA 1.036 59.224 58.200 -0.021 0.000 0.972 20 S CB -0.053 63.152 63.200 0.009 0.000 0.814 20 S HN 0.478 nan 8.310 nan 0.000 0.477 21 E N 0.604 120.771 120.200 -0.054 0.000 2.077 21 E HA -0.094 4.257 4.350 0.002 0.000 0.193 21 E C 2.087 178.607 176.600 -0.133 0.000 0.989 21 E CA 1.289 57.653 56.400 -0.060 0.000 0.800 21 E CB -0.235 29.458 29.700 -0.013 0.000 0.746 21 E HN 0.479 nan 8.360 nan 0.000 0.452 22 L N 0.591 121.665 121.223 -0.249 0.000 2.093 22 L HA -0.140 4.201 4.340 0.002 0.000 0.208 22 L C 2.564 179.338 176.870 -0.161 0.000 1.085 22 L CA 1.007 55.689 54.840 -0.263 0.000 0.755 22 L CB -0.433 41.435 42.059 -0.318 0.000 0.904 22 L HN 0.162 nan 8.230 nan 0.000 0.435 23 T N -1.040 113.452 114.554 -0.103 0.000 2.652 23 T HA -0.215 4.136 4.350 0.002 0.000 0.267 23 T C 1.895 176.561 174.700 -0.058 0.000 1.039 23 T CA 1.228 63.291 62.100 -0.061 0.000 1.153 23 T CB -0.093 68.753 68.868 -0.037 0.000 0.863 23 T HN 0.245 nan 8.240 nan 0.000 0.428 24 Q N 0.344 120.112 119.800 -0.052 0.000 2.245 24 Q HA 0.086 4.427 4.340 0.002 0.000 0.201 24 Q C 2.338 178.313 176.000 -0.042 0.000 0.955 24 Q CA 0.997 56.780 55.803 -0.035 0.000 0.870 24 Q CB -0.245 28.478 28.738 -0.024 0.000 0.945 24 Q HN 0.444 nan 8.270 nan 0.000 0.461 25 Q N 0.150 119.913 119.800 -0.061 0.000 2.137 25 Q HA 0.067 4.408 4.340 0.002 0.000 0.198 25 Q C 2.076 178.033 176.000 -0.071 0.000 0.960 25 Q CA 0.668 56.437 55.803 -0.058 0.000 0.847 25 Q CB -0.058 28.633 28.738 -0.079 0.000 0.915 25 Q HN 0.284 nan 8.270 nan 0.000 0.448 26 L N -0.564 120.592 121.223 -0.112 0.000 2.093 26 L HA -0.129 4.212 4.340 0.002 0.000 0.208 26 L C 2.134 178.963 176.870 -0.068 0.000 1.085 26 L CA 1.105 55.869 54.840 -0.127 0.000 0.755 26 L CB -0.486 41.466 42.059 -0.177 0.000 0.904 26 L HN 0.197 nan 8.230 nan 0.000 0.435 27 A N -0.707 122.088 122.820 -0.042 0.000 1.968 27 A HA -0.228 4.093 4.320 0.002 0.000 0.217 27 A C 2.223 179.807 177.584 0.000 0.000 1.169 27 A CA 1.500 53.530 52.037 -0.012 0.000 0.638 27 A CB -0.358 18.639 19.000 -0.005 0.000 0.812 27 A HN 0.477 nan 8.150 nan 0.000 0.446 28 Q N -0.503 119.297 119.800 0.000 0.000 2.020 28 Q HA 0.005 4.347 4.340 0.002 0.000 0.198 28 Q C 2.109 178.128 176.000 0.030 0.000 0.974 28 Q CA 1.508 57.318 55.803 0.011 0.000 0.829 28 Q CB -0.324 28.417 28.738 0.005 0.000 0.894 28 Q HN 0.521 nan 8.270 nan 0.000 0.433 29 A N 0.048 122.899 122.820 0.051 0.000 1.970 29 A HA -0.095 4.226 4.320 0.002 0.000 0.216 29 A C 2.168 179.871 177.584 0.199 0.000 1.170 29 A CA 1.631 53.748 52.037 0.133 0.000 0.645 29 A CB -0.705 18.434 19.000 0.231 0.000 0.816 29 A HN 0.640 nan 8.150 nan 0.000 0.447 30 T N -4.783 109.852 114.554 0.136 0.000 3.054 30 T HA 0.364 4.715 4.350 0.002 0.000 0.259 30 T C 1.571 176.307 174.700 0.059 0.000 1.092 30 T CA 1.213 63.380 62.100 0.112 0.000 1.121 30 T CB -0.023 68.829 68.868 -0.028 0.000 0.912 30 T HN 1.625 nan 8.240 nan 0.000 0.489 31 G N 1.348 110.171 108.800 0.038 0.000 2.179 31 G HA2 -0.218 3.743 3.960 0.002 0.000 0.260 31 G HA3 -0.218 3.743 3.960 0.002 0.000 0.260 31 G C 0.061 174.970 174.900 0.015 0.000 0.977 31 G CA 0.187 45.300 45.100 0.023 0.000 0.641 31 G HN 0.608 nan 8.290 nan 0.000 0.533 32 K N 0.762 121.167 120.400 0.009 0.000 2.110 32 K HA 0.509 4.830 4.320 0.002 0.000 0.263 32 K C -2.447 174.201 176.600 0.081 0.000 0.975 32 K CA -1.951 54.347 56.287 0.019 0.000 0.895 32 K CB 1.463 33.951 32.500 -0.019 0.000 1.060 32 K HN 0.017 nan 8.250 nan 0.000 0.448 33 P HA 0.041 nan 4.420 nan 0.000 0.272 33 P C 0.162 177.512 177.300 0.084 0.000 1.230 33 P CA 0.087 63.260 63.100 0.121 0.000 0.788 33 P CB 0.612 32.421 31.700 0.181 0.000 0.949 34 A N 2.046 124.876 122.820 0.016 0.000 2.070 34 A HA -0.244 4.077 4.320 0.002 0.000 0.220 34 A C 2.146 179.690 177.584 -0.066 0.000 1.159 34 A CA 1.595 53.622 52.037 -0.016 0.000 0.656 34 A CB -1.215 17.773 19.000 -0.020 0.000 0.800 34 A HN 0.696 nan 8.150 nan 0.000 0.453 35 Q N -1.352 118.355 119.800 -0.155 0.000 2.112 35 Q HA -0.239 4.102 4.340 0.002 0.000 0.206 35 Q C 1.099 176.839 176.000 -0.434 0.000 0.987 35 Q CA 2.175 57.780 55.803 -0.330 0.000 0.858 35 Q CB -0.273 28.126 28.738 -0.565 0.000 0.905 35 Q HN 0.775 nan 8.270 nan 0.000 0.420 36 Y N -0.298 119.937 120.300 -0.107 0.000 2.466 36 Y HA 0.277 4.828 4.550 0.002 0.000 0.272 36 Y C 0.131 175.931 175.900 -0.167 0.000 1.169 36 Y CA -0.115 57.857 58.100 -0.214 0.000 1.285 36 Y CB 0.497 38.822 38.460 -0.225 0.000 1.078 36 Y HN 0.033 nan 8.280 nan 0.000 0.523 37 I N 0.775 121.342 120.570 -0.004 0.000 2.359 37 I HA 0.505 4.676 4.170 0.002 0.000 0.294 37 I C -0.032 176.081 176.117 -0.007 0.000 0.987 37 I CA -0.792 60.506 61.300 -0.002 0.000 1.225 37 I CB 1.179 39.176 38.000 -0.006 0.000 1.366 37 I HN -0.050 nan 8.210 nan 0.000 0.466 38 A N 6.481 129.307 122.820 0.011 0.000 2.350 38 A HA 0.858 5.179 4.320 0.002 0.000 0.324 38 A C -0.891 176.731 177.584 0.063 0.000 1.118 38 A CA -0.496 51.555 52.037 0.023 0.000 0.783 38 A CB 1.554 20.560 19.000 0.010 0.000 1.236 38 A HN 0.443 nan 8.150 nan 0.000 0.457 39 V N 2.429 122.385 119.914 0.069 0.000 2.709 39 V HA 0.499 4.620 4.120 0.002 0.000 0.308 39 V C -0.613 175.563 176.094 0.137 0.000 1.062 39 V CA -0.441 61.926 62.300 0.112 0.000 0.901 39 V CB 1.892 33.765 31.823 0.082 0.000 1.003 39 V HN 1.019 nan 8.190 nan 0.000 0.425 40 H N 2.844 121.902 119.070 -0.020 0.000 2.934 40 H HA 0.742 5.299 4.556 0.002 0.000 0.340 40 H C -2.102 173.200 175.328 -0.044 0.000 1.008 40 H CA -0.524 55.507 56.048 -0.029 0.000 1.317 40 H CB 2.141 31.876 29.762 -0.045 0.000 1.670 40 H HN 0.468 nan 8.280 nan 0.000 0.516 41 V N 6.178 126.142 119.914 0.083 0.000 2.487 41 V HA 0.263 4.385 4.120 0.002 0.000 0.298 41 V C -0.475 175.585 176.094 -0.056 0.000 1.028 41 V CA -0.723 61.572 62.300 -0.008 0.000 0.860 41 V CB 1.700 33.618 31.823 0.158 0.000 0.991 41 V HN 0.546 nan 8.190 nan 0.000 0.427 42 V N 7.478 127.304 119.914 -0.146 0.000 2.357 42 V HA 0.419 4.540 4.120 0.002 0.000 0.281 42 V C -2.170 173.894 176.094 -0.049 0.000 1.015 42 V CA -1.255 60.982 62.300 -0.104 0.000 0.827 42 V CB 1.546 33.251 31.823 -0.197 0.000 1.018 42 V HN 0.711 nan 8.190 nan 0.000 0.432 43 P HA 0.411 nan 4.420 nan 0.000 0.301 43 P C -0.396 176.900 177.300 -0.005 0.000 1.309 43 P CA -0.152 62.943 63.100 -0.010 0.000 0.782 43 P CB 0.889 32.586 31.700 -0.004 0.000 1.282 44 D N -2.768 117.629 120.400 -0.004 0.000 2.945 44 D HA -0.114 4.527 4.640 0.002 0.000 0.225 44 D C -0.041 176.260 176.300 0.002 0.000 1.158 44 D CA 1.043 55.043 54.000 0.000 0.000 0.805 44 D CB -0.885 39.917 40.800 0.004 0.000 1.098 44 D HN 0.375 nan 8.370 nan 0.000 0.426 45 Q N -0.051 119.749 119.800 0.000 0.000 2.260 45 Q HA 0.421 4.762 4.340 0.002 0.000 0.238 45 Q C 0.370 176.375 176.000 0.010 0.000 0.948 45 Q CA -0.713 55.092 55.803 0.003 0.000 0.895 45 Q CB 1.228 29.966 28.738 -0.001 0.000 1.218 45 Q HN 0.248 nan 8.270 nan 0.000 0.470 46 L N 4.078 125.307 121.223 0.011 0.000 2.312 46 L HA 0.315 4.656 4.340 0.002 0.000 0.287 46 L C -0.621 176.261 176.870 0.019 0.000 1.091 46 L CA 0.513 55.361 54.840 0.014 0.000 0.846 46 L CB -0.458 41.607 42.059 0.011 0.000 1.219 46 L HN 0.624 nan 8.230 nan 0.000 0.439 47 M N 2.839 122.456 119.600 0.027 0.000 2.520 47 M HA 0.788 5.269 4.480 0.002 0.000 0.280 47 M C -0.932 175.400 176.300 0.053 0.000 1.232 47 M CA -0.557 54.766 55.300 0.039 0.000 0.892 47 M CB 2.241 34.870 32.600 0.050 0.000 1.728 47 M HN 0.352 nan 8.290 nan 0.000 0.475 48 T N -1.129 113.461 114.554 0.059 0.000 2.906 48 T HA 0.831 5.182 4.350 0.002 0.000 0.295 48 T C -1.484 173.288 174.700 0.121 0.000 1.075 48 T CA -0.577 61.571 62.100 0.080 0.000 1.005 48 T CB 2.205 71.101 68.868 0.046 0.000 1.136 48 T HN 0.661 nan 8.240 nan 0.000 0.498 49 F N 1.032 120.973 119.950 -0.015 0.000 2.573 49 F HA 0.522 5.049 4.527 0.000 0.000 0.316 49 F C 0.483 176.266 175.800 -0.029 0.000 1.148 49 F CA -0.532 57.450 58.000 -0.031 0.000 0.940 49 F CB 1.774 40.728 39.000 -0.077 0.000 1.214 49 F HN 0.913 nan 8.300 nan 0.000 0.448 50 S N 3.060 118.838 115.700 0.131 0.000 3.561 50 S HA -0.125 4.346 4.470 0.002 0.000 0.318 50 S C 1.099 175.746 174.600 0.078 0.000 1.181 50 S CA 1.308 59.580 58.200 0.120 0.000 0.916 50 S CB -1.819 61.510 63.200 0.215 0.000 0.966 50 S HN 2.221 nan 8.310 nan 0.000 0.550 51 G N -0.375 108.455 108.800 0.050 0.000 2.205 51 G HA2 -0.299 3.662 3.960 0.002 0.000 0.261 51 G HA3 -0.299 3.662 3.960 0.002 0.000 0.261 51 G C 0.187 175.116 174.900 0.048 0.000 0.980 51 G CA 0.872 45.994 45.100 0.037 0.000 0.632 51 G HN 1.809 nan 8.290 nan 0.000 0.533 52 T N -1.735 112.860 114.554 0.068 0.000 2.942 52 T HA 0.586 4.937 4.350 0.002 0.000 0.289 52 T C 0.287 175.020 174.700 0.055 0.000 1.044 52 T CA 0.061 62.192 62.100 0.052 0.000 1.023 52 T CB 1.720 70.616 68.868 0.046 0.000 1.123 52 T HN 0.602 nan 8.240 nan 0.000 0.512 53 N N -0.392 118.332 118.700 0.039 0.000 2.389 53 N HA 0.208 4.949 4.740 0.002 0.000 0.260 53 N C -0.754 174.770 175.510 0.024 0.000 1.191 53 N CA -0.560 52.511 53.050 0.036 0.000 0.885 53 N CB 0.013 38.516 38.487 0.025 0.000 1.162 53 N HN 0.460 nan 8.380 nan 0.000 0.512 54 D N 1.238 121.649 120.400 0.019 0.000 2.369 54 D HA 0.188 4.829 4.640 0.002 0.000 0.241 54 D C -2.172 174.124 176.300 -0.007 0.000 1.271 54 D CA -1.309 52.692 54.000 0.002 0.000 0.942 54 D CB 0.143 40.935 40.800 -0.012 0.000 1.129 54 D HN 0.114 nan 8.370 nan 0.000 0.476 55 P HA 0.018 nan 4.420 nan 0.000 0.264 55 P C -0.551 176.716 177.300 -0.055 0.000 1.183 55 P CA 0.187 63.272 63.100 -0.025 0.000 0.763 55 P CB 0.337 32.023 31.700 -0.024 0.000 0.807 56 C N 1.351 120.633 119.300 -0.031 0.000 3.320 56 C HA 0.958 5.419 4.460 0.002 0.000 0.335 56 C C -1.269 173.726 174.990 0.008 0.000 1.430 56 C CA -0.961 58.025 59.018 -0.054 0.000 1.271 56 C CB 1.152 28.918 27.740 0.043 0.000 1.609 56 C HN 0.664 nan 8.230 nan 0.000 0.457 57 A N 0.589 123.432 122.820 0.039 0.000 2.589 57 A HA 0.819 5.140 4.320 0.002 0.000 0.296 57 A C -1.736 175.937 177.584 0.149 0.000 1.062 57 A CA -0.446 51.634 52.037 0.073 0.000 0.686 57 A CB 1.040 20.072 19.000 0.054 0.000 1.282 57 A HN 1.150 nan 8.150 nan 0.000 0.404 58 L N 1.286 122.577 121.223 0.113 0.000 2.349 58 L HA 0.591 4.932 4.340 0.002 0.000 0.278 58 L C -0.835 176.051 176.870 0.026 0.000 0.996 58 L CA -0.514 54.406 54.840 0.133 0.000 0.825 58 L CB 1.623 43.751 42.059 0.114 0.000 1.243 58 L HN 0.823 nan 8.230 nan 0.000 0.412 59 C N 0.843 120.156 119.300 0.021 0.000 2.913 59 C HA 0.841 5.302 4.460 0.002 0.000 0.322 59 C C 0.033 174.960 174.990 -0.105 0.000 1.292 59 C CA -0.687 58.257 59.018 -0.123 0.000 1.649 59 C CB 2.186 29.868 27.740 -0.097 0.000 2.139 59 C HN 0.799 nan 8.230 nan 0.000 0.475 60 S N 0.484 116.080 115.700 -0.174 0.000 2.540 60 S HA 0.723 5.194 4.470 0.002 0.000 0.275 60 S C -1.563 173.052 174.600 0.025 0.000 1.123 60 S CA -0.386 57.788 58.200 -0.044 0.000 0.907 60 S CB 1.649 64.927 63.200 0.131 0.000 1.081 60 S HN 0.620 nan 8.310 nan 0.000 0.476 61 L N 3.475 124.695 121.223 -0.006 0.000 2.343 61 L HA 0.619 4.960 4.340 0.002 0.000 0.278 61 L C -1.528 175.395 176.870 0.088 0.000 0.996 61 L CA -0.102 54.836 54.840 0.164 0.000 0.831 61 L CB 0.750 42.895 42.059 0.143 0.000 1.232 61 L HN 0.736 nan 8.230 nan 0.000 0.413 62 H N 2.530 121.706 119.070 0.178 0.000 2.469 62 H HA 0.826 5.383 4.556 0.002 0.000 0.342 62 H C -0.701 174.662 175.328 0.058 0.000 1.115 62 H CA -0.346 55.797 56.048 0.160 0.000 1.204 62 H CB 1.912 31.716 29.762 0.070 0.000 1.492 62 H HN 0.595 nan 8.280 nan 0.000 0.499 63 S N 2.047 117.830 115.700 0.138 0.000 2.537 63 S HA 0.401 4.872 4.470 0.002 0.000 0.270 63 S C -1.085 173.502 174.600 -0.021 0.000 1.142 63 S CA -0.803 57.404 58.200 0.013 0.000 0.870 63 S CB 0.763 63.957 63.200 -0.010 0.000 1.112 63 S HN 0.560 nan 8.310 nan 0.000 0.466 64 I N 4.297 124.791 120.570 -0.128 0.000 2.311 64 I HA 0.472 4.643 4.170 0.002 0.000 0.297 64 I C 1.124 177.182 176.117 -0.098 0.000 1.131 64 I CA 0.718 61.935 61.300 -0.139 0.000 1.289 64 I CB -0.390 37.437 38.000 -0.289 0.000 1.446 64 I HN 1.014 nan 8.210 nan 0.000 0.524 65 G N 5.500 114.278 108.800 -0.037 0.000 2.828 65 G HA2 -0.226 3.735 3.960 0.002 0.000 0.463 65 G HA3 -0.226 3.735 3.960 0.002 0.000 0.463 65 G C 0.274 175.176 174.900 0.003 0.000 1.394 65 G CA -0.560 44.529 45.100 -0.019 0.000 0.862 65 G HN 0.590 nan 8.290 nan 0.000 0.540 66 K N -2.388 118.025 120.400 0.021 0.000 3.281 66 K HA -0.153 4.168 4.320 0.002 0.000 0.295 66 K C 0.342 177.028 176.600 0.143 0.000 1.233 66 K CA 1.670 58.002 56.287 0.075 0.000 0.866 66 K CB -1.833 30.723 32.500 0.094 0.000 1.265 66 K HN 1.037 nan 8.250 nan 0.000 0.482 67 I N 0.208 120.823 120.570 0.075 0.000 2.465 67 I HA 0.705 4.876 4.170 0.002 0.000 0.291 67 I C 0.871 176.977 176.117 -0.018 0.000 1.014 67 I CA -0.197 61.144 61.300 0.070 0.000 1.093 67 I CB 1.775 39.820 38.000 0.075 0.000 1.267 67 I HN 0.242 nan 8.210 nan 0.000 0.431 68 G N 2.894 111.641 108.800 -0.089 0.000 2.466 68 G HA2 0.421 4.382 3.960 0.002 0.000 0.291 68 G HA3 0.421 4.382 3.960 0.002 0.000 0.291 68 G C 0.408 175.209 174.900 -0.165 0.000 1.460 68 G CA -0.079 44.958 45.100 -0.105 0.000 0.791 68 G HN 0.678 nan 8.290 nan 0.000 0.505 69 G N 0.005 108.726 108.800 -0.132 0.000 2.446 69 G HA2 0.141 4.103 3.960 0.002 0.000 0.217 69 G HA3 0.141 4.103 3.960 0.002 0.000 0.217 69 G C 1.954 176.746 174.900 -0.180 0.000 1.168 69 G CA 2.255 47.270 45.100 -0.142 0.000 0.771 69 G HN 1.513 nan 8.290 nan 0.000 0.551 70 A N 0.129 122.851 122.820 -0.164 0.000 1.929 70 A HA 0.042 4.363 4.320 0.002 0.000 0.216 70 A C 2.381 179.796 177.584 -0.282 0.000 1.176 70 A CA 1.938 53.867 52.037 -0.180 0.000 0.628 70 A CB -0.312 18.606 19.000 -0.137 0.000 0.816 70 A HN 0.381 nan 8.150 nan 0.000 0.444 71 Q N 0.496 120.095 119.800 -0.336 0.000 2.050 71 Q HA -0.146 4.196 4.340 0.002 0.000 0.202 71 Q C 1.789 177.254 176.000 -0.891 0.000 0.980 71 Q CA 1.825 57.265 55.803 -0.605 0.000 0.840 71 Q CB -0.303 28.168 28.738 -0.446 0.000 0.898 71 Q HN 0.622 nan 8.270 nan 0.000 0.424 72 N N 0.159 118.469 118.700 -0.649 0.000 2.244 72 N HA -0.094 4.647 4.740 0.002 0.000 0.183 72 N C 1.407 176.624 175.510 -0.487 0.000 1.016 72 N CA 0.945 53.528 53.050 -0.777 0.000 0.866 72 N CB -0.071 37.882 38.487 -0.890 0.000 0.980 72 N HN 0.213 nan 8.380 nan 0.000 0.430 73 R N 0.291 120.599 120.500 -0.321 0.000 2.115 73 R HA 0.002 4.343 4.340 0.002 0.000 0.226 73 R C 1.711 177.913 176.300 -0.164 0.000 1.100 73 R CA 0.825 56.827 56.100 -0.163 0.000 0.980 73 R CB -0.198 30.024 30.300 -0.130 0.000 0.875 73 R HN 0.262 nan 8.270 nan 0.000 0.445 74 N N 0.270 118.803 118.700 -0.277 0.000 2.058 74 N HA -0.202 4.539 4.740 0.002 0.000 0.191 74 N C 1.400 176.833 175.510 -0.129 0.000 1.037 74 N CA 1.556 54.467 53.050 -0.232 0.000 0.848 74 N CB -0.188 38.102 38.487 -0.328 0.000 1.021 74 N HN 0.101 nan 8.380 nan 0.000 0.422 75 Y N 0.651 120.902 120.300 -0.081 0.000 2.224 75 Y HA -0.021 4.530 4.550 0.002 0.000 0.289 75 Y C 2.776 178.703 175.900 0.044 0.000 1.146 75 Y CA 0.920 59.006 58.100 -0.025 0.000 1.182 75 Y CB -0.948 37.533 38.460 0.035 0.000 0.983 75 Y HN 0.079 nan 8.280 nan 0.000 0.524 76 S N -0.309 115.525 115.700 0.223 0.000 2.382 76 S HA -0.200 4.272 4.470 0.002 0.000 0.228 76 S C 2.052 176.722 174.600 0.116 0.000 1.027 76 S CA 1.487 59.818 58.200 0.219 0.000 0.991 76 S CB -0.205 63.116 63.200 0.202 0.000 0.823 76 S HN 0.429 nan 8.310 nan 0.000 0.469 77 K N 0.731 121.166 120.400 0.059 0.000 2.103 77 K HA -0.010 4.311 4.320 0.002 0.000 0.204 77 K C 2.094 178.716 176.600 0.036 0.000 1.052 77 K CA 0.795 57.103 56.287 0.035 0.000 0.945 77 K CB -0.171 32.331 32.500 0.004 0.000 0.722 77 K HN 0.262 nan 8.250 nan 0.000 0.443 78 L N 0.792 122.038 121.223 0.038 0.000 2.044 78 L HA -0.034 4.307 4.340 0.002 0.000 0.205 78 L C 1.746 178.626 176.870 0.017 0.000 1.075 78 L CA 1.477 56.331 54.840 0.023 0.000 0.747 78 L CB -0.235 41.837 42.059 0.022 0.000 0.903 78 L HN 0.163 nan 8.230 nan 0.000 0.435 79 L N -1.313 119.917 121.223 0.013 0.000 2.131 79 L HA -0.172 4.169 4.340 0.002 0.000 0.206 79 L C 2.578 179.494 176.870 0.078 0.000 1.087 79 L CA 0.955 55.788 54.840 -0.012 0.000 0.767 79 L CB -0.679 41.325 42.059 -0.091 0.000 0.917 79 L HN 0.365 nan 8.230 nan 0.000 0.441 80 C N 0.149 119.503 119.300 0.090 0.000 2.422 80 C HA -0.099 4.362 4.460 0.002 0.000 0.279 80 C C 2.869 177.897 174.990 0.063 0.000 1.305 80 C CA 0.890 59.956 59.018 0.080 0.000 1.757 80 C CB -1.543 26.235 27.740 0.062 0.000 1.962 80 C HN 0.702 nan 8.230 nan 0.000 0.499 81 G N 0.193 109.025 108.800 0.055 0.000 2.402 81 G HA2 -0.129 3.832 3.960 0.002 0.000 0.216 81 G HA3 -0.129 3.832 3.960 0.002 0.000 0.216 81 G C 1.576 176.516 174.900 0.067 0.000 1.162 81 G CA 0.481 45.610 45.100 0.047 0.000 0.777 81 G HN 0.510 nan 8.290 nan 0.000 0.539 82 L N -0.164 121.116 121.223 0.096 0.000 2.056 82 L HA 0.069 4.411 4.340 0.002 0.000 0.207 82 L C 2.860 179.862 176.870 0.220 0.000 1.078 82 L CA 0.475 55.422 54.840 0.180 0.000 0.749 82 L CB -0.285 41.889 42.059 0.193 0.000 0.901 82 L HN 0.175 nan 8.230 nan 0.000 0.433 83 L N -1.344 119.999 121.223 0.200 0.000 2.141 83 L HA -0.180 4.161 4.340 0.002 0.000 0.209 83 L C 2.744 179.613 176.870 -0.002 0.000 1.094 83 L CA 1.010 55.935 54.840 0.141 0.000 0.763 83 L CB -0.357 41.790 42.059 0.145 0.000 0.908 83 L HN 0.220 nan 8.230 nan 0.000 0.437 84 S N -0.534 115.176 115.700 0.017 0.000 2.362 84 S HA -0.139 4.332 4.470 0.002 0.000 0.221 84 S C 1.608 176.199 174.600 -0.015 0.000 1.032 84 S CA 1.063 59.265 58.200 0.003 0.000 0.973 84 S CB -0.043 63.170 63.200 0.023 0.000 0.849 84 S HN 0.370 nan 8.310 nan 0.000 0.465 85 D N 0.903 121.302 120.400 -0.002 0.000 2.149 85 D HA 0.021 4.662 4.640 0.002 0.000 0.201 85 D C 2.247 178.450 176.300 -0.162 0.000 0.972 85 D CA 0.766 54.762 54.000 -0.007 0.000 0.835 85 D CB -0.095 40.722 40.800 0.029 0.000 0.966 85 D HN 0.297 nan 8.370 nan 0.000 0.476 86 R N 0.059 120.433 120.500 -0.210 0.000 2.075 86 R HA 0.181 4.523 4.340 0.002 0.000 0.220 86 R C 2.220 178.120 176.300 -0.668 0.000 1.118 86 R CA 0.334 56.196 56.100 -0.396 0.000 0.986 86 R CB -0.426 29.683 30.300 -0.317 0.000 0.884 86 R HN 0.246 nan 8.270 nan 0.000 0.439 87 L N 0.537 121.408 121.223 -0.586 0.000 2.640 87 L HA 0.174 4.515 4.340 0.002 0.000 0.230 87 L C -0.273 176.377 176.870 -0.367 0.000 1.123 87 L CA -0.078 54.453 54.840 -0.514 0.000 0.900 87 L CB -0.237 41.614 42.059 -0.347 0.000 1.146 87 L HN 0.294 nan 8.230 nan 0.000 0.484 88 H N -0.260 118.760 119.070 -0.084 0.000 2.713 88 H HA -0.123 4.434 4.556 0.002 0.000 0.311 88 H C 0.041 175.332 175.328 -0.061 0.000 1.175 88 H CA 0.617 56.628 56.048 -0.061 0.000 1.143 88 H CB -2.069 27.659 29.762 -0.057 0.000 1.434 88 H HN 0.327 nan 8.280 nan 0.000 0.418 89 I N 0.460 121.020 120.570 -0.016 0.000 2.392 89 I HA 0.144 4.315 4.170 0.002 0.000 0.295 89 I C 0.975 177.063 176.117 -0.048 0.000 0.985 89 I CA -0.415 60.861 61.300 -0.040 0.000 1.221 89 I CB 1.791 39.758 38.000 -0.055 0.000 1.366 89 I HN 0.124 nan 8.210 nan 0.000 0.467 90 S N 6.364 122.016 115.700 -0.080 0.000 2.549 90 S HA 0.162 4.633 4.470 0.002 0.000 0.283 90 S C -1.560 172.962 174.600 -0.129 0.000 1.320 90 S CA -1.002 57.143 58.200 -0.091 0.000 1.058 90 S CB 0.885 64.016 63.200 -0.115 0.000 0.882 90 S HN 0.359 nan 8.310 nan 0.000 0.498 91 P HA -0.096 nan 4.420 nan 0.000 0.219 91 P C 0.400 177.609 177.300 -0.151 0.000 1.146 91 P CA 0.995 64.046 63.100 -0.082 0.000 0.808 91 P CB -0.023 31.658 31.700 -0.031 0.000 0.779 92 D N -1.831 118.456 120.400 -0.188 0.000 2.319 92 D HA -0.042 4.599 4.640 0.002 0.000 0.230 92 D C 0.831 176.793 176.300 -0.564 0.000 1.094 92 D CA 0.252 54.106 54.000 -0.243 0.000 0.856 92 D CB -0.540 40.178 40.800 -0.137 0.000 0.915 92 D HN 0.139 nan 8.370 nan 0.000 0.517 93 R N 0.022 120.098 120.500 -0.708 0.000 2.700 93 R HA 0.340 4.681 4.340 0.002 0.000 0.399 93 R C -1.040 174.599 176.300 -1.103 0.000 1.115 93 R CA -0.264 54.955 56.100 -1.468 0.000 1.058 93 R CB 1.434 31.263 30.300 -0.785 0.000 1.389 93 R HN -0.002 nan 8.270 nan 0.000 0.582 94 V N 0.957 120.486 119.914 -0.643 0.000 2.577 94 V HA 0.392 4.513 4.120 0.002 0.000 0.303 94 V C -0.868 175.251 176.094 0.042 0.000 1.042 94 V CA -0.817 61.394 62.300 -0.150 0.000 0.872 94 V CB 1.995 33.795 31.823 -0.038 0.000 0.998 94 V HN 0.202 nan 8.190 nan 0.000 0.423 95 Y N 4.366 124.835 120.300 0.282 0.000 2.377 95 Y HA 0.682 5.233 4.550 0.002 0.000 0.339 95 Y C 0.002 175.956 175.900 0.089 0.000 1.011 95 Y CA -0.982 57.241 58.100 0.205 0.000 1.093 95 Y CB 2.286 40.860 38.460 0.190 0.000 1.201 95 Y HN 0.461 nan 8.280 nan 0.000 0.455 96 I N 3.841 124.531 120.570 0.200 0.000 2.410 96 I HA 0.245 4.417 4.170 0.002 0.000 0.286 96 I C -0.906 175.036 176.117 -0.291 0.000 1.009 96 I CA -0.767 60.490 61.300 -0.072 0.000 1.111 96 I CB 1.079 39.004 38.000 -0.126 0.000 1.262 96 I HN 0.573 nan 8.210 nan 0.000 0.443 97 N N 5.543 124.062 118.700 -0.302 0.000 2.455 97 N HA 0.342 5.084 4.740 0.002 0.000 0.280 97 N C -1.166 173.927 175.510 -0.695 0.000 1.055 97 N CA -0.221 52.581 53.050 -0.413 0.000 0.961 97 N CB 1.177 39.507 38.487 -0.262 0.000 1.121 97 N HN 0.331 nan 8.380 nan 0.000 0.476 98 Y N 1.621 121.647 120.300 -0.457 0.000 2.342 98 Y HA 0.372 4.923 4.550 0.001 0.000 0.334 98 Y C -0.501 174.997 175.900 -0.670 0.000 1.067 98 Y CA -0.451 57.425 58.100 -0.374 0.000 1.128 98 Y CB 1.017 39.397 38.460 -0.133 0.000 1.200 98 Y HN 0.377 nan 8.280 nan 0.000 0.464 99 Y N 1.081 121.356 120.300 -0.041 0.000 2.373 99 Y HA 0.225 4.776 4.550 0.002 0.000 0.336 99 Y C -0.651 175.263 175.900 0.022 0.000 0.979 99 Y CA -1.476 56.591 58.100 -0.056 0.000 1.080 99 Y CB 1.543 39.870 38.460 -0.221 0.000 1.190 99 Y HN 0.484 nan 8.280 nan 0.000 0.446 100 D N 4.282 124.768 120.400 0.143 0.000 2.411 100 D HA 0.202 4.843 4.640 0.002 0.000 0.225 100 D C -0.572 175.794 176.300 0.111 0.000 1.156 100 D CA -0.194 53.867 54.000 0.102 0.000 0.874 100 D CB 0.537 41.372 40.800 0.059 0.000 1.034 100 D HN 0.318 nan 8.370 nan 0.000 0.502 101 M N 2.710 122.373 119.600 0.105 0.000 2.211 101 M HA 0.156 4.637 4.480 0.002 0.000 0.356 101 M C 0.607 176.930 176.300 0.038 0.000 1.216 101 M CA -0.432 54.920 55.300 0.087 0.000 1.134 101 M CB 0.546 33.192 32.600 0.076 0.000 1.564 101 M HN 0.313 nan 8.290 nan 0.000 0.463 102 N N 1.515 120.243 118.700 0.047 0.000 2.530 102 N HA 0.182 4.924 4.740 0.002 0.000 0.273 102 N C 0.646 176.179 175.510 0.038 0.000 1.173 102 N CA 0.286 53.358 53.050 0.036 0.000 0.967 102 N CB 1.318 39.831 38.487 0.044 0.000 1.109 102 N HN 0.723 nan 8.380 nan 0.000 0.453 103 A N 3.822 126.663 122.820 0.035 0.000 1.978 103 A HA -0.131 4.190 4.320 0.002 0.000 0.220 103 A C 2.014 179.688 177.584 0.150 0.000 1.170 103 A CA 2.001 54.086 52.037 0.080 0.000 0.636 103 A CB -0.783 18.276 19.000 0.098 0.000 0.810 103 A HN 0.804 nan 8.150 nan 0.000 0.448 104 A N -0.425 122.457 122.820 0.103 0.000 2.172 104 A HA -0.087 4.234 4.320 0.002 0.000 0.216 104 A C 1.425 179.065 177.584 0.093 0.000 1.154 104 A CA 1.257 53.352 52.037 0.098 0.000 0.701 104 A CB -0.607 18.433 19.000 0.066 0.000 0.789 104 A HN 0.711 nan 8.150 nan 0.000 0.465 105 N N -0.783 117.970 118.700 0.088 0.000 2.279 105 N HA 0.271 5.012 4.740 0.002 0.000 0.226 105 N C -1.161 174.402 175.510 0.088 0.000 1.126 105 N CA -0.191 52.903 53.050 0.074 0.000 0.846 105 N CB 1.062 39.582 38.487 0.056 0.000 1.050 105 N HN 0.132 nan 8.380 nan 0.000 0.502 106 V N 0.809 120.813 119.914 0.150 0.000 2.443 106 V HA 0.508 4.629 4.120 0.002 0.000 0.293 106 V C 0.465 176.740 176.094 0.302 0.000 1.021 106 V CA -0.947 61.476 62.300 0.206 0.000 0.848 106 V CB 1.413 33.352 31.823 0.193 0.000 0.998 106 V HN 0.122 nan 8.190 nan 0.000 0.424 107 G N 3.131 112.062 108.800 0.218 0.000 2.400 107 G HA2 0.571 4.532 3.960 0.002 0.000 0.301 107 G HA3 0.571 4.532 3.960 0.002 0.000 0.301 107 G C -1.679 173.410 174.900 0.316 0.000 1.154 107 G CA -0.323 44.897 45.100 0.199 0.000 0.852 107 G HN 0.742 nan 8.290 nan 0.000 0.511 108 W N 2.100 123.388 121.300 -0.019 0.000 3.707 108 W HA 0.415 5.076 4.660 0.002 0.000 0.294 108 W C -0.233 176.226 176.519 -0.100 0.000 1.248 108 W CA -1.174 56.146 57.345 -0.041 0.000 1.217 108 W CB 0.660 30.076 29.460 -0.074 0.000 1.306 108 W HN 0.668 nan 8.180 nan 0.000 0.532 109 N N 3.226 121.675 118.700 -0.419 0.000 2.735 109 N HA -0.150 4.591 4.740 0.002 0.000 0.248 109 N C 0.913 176.235 175.510 -0.314 0.000 1.083 109 N CA 3.046 55.744 53.050 -0.585 0.000 0.703 109 N CB -1.194 36.636 38.487 -1.096 0.000 1.005 109 N HN 1.831 nan 8.380 nan 0.000 0.550 110 G N -2.643 106.059 108.800 -0.163 0.000 2.189 110 G HA2 -0.279 3.682 3.960 0.002 0.000 0.267 110 G HA3 -0.279 3.682 3.960 0.002 0.000 0.267 110 G C 0.261 175.107 174.900 -0.090 0.000 0.975 110 G CA 1.497 46.533 45.100 -0.108 0.000 0.644 110 G HN 1.161 nan 8.290 nan 0.000 0.537 111 S N -1.881 113.758 115.700 -0.101 0.000 3.359 111 S HA 0.882 5.354 4.470 0.002 0.000 0.323 111 S C 0.067 174.650 174.600 -0.028 0.000 1.143 111 S CA 1.238 59.397 58.200 -0.068 0.000 0.989 111 S CB 1.238 64.374 63.200 -0.108 0.000 1.375 111 S HN 1.493 nan 8.310 nan 0.000 0.728 112 T N -1.033 113.512 114.554 -0.015 0.000 2.838 112 T HA 0.611 4.962 4.350 0.002 0.000 0.292 112 T C -0.095 174.627 174.700 0.037 0.000 1.113 112 T CA -0.499 61.635 62.100 0.057 0.000 1.008 112 T CB 0.553 69.483 68.868 0.104 0.000 1.259 112 T HN 0.340 nan 8.240 nan 0.000 0.520 113 F N 0.996 121.015 119.950 0.115 0.000 2.748 113 F HA 0.426 4.955 4.527 0.002 0.000 0.299 113 F C 1.894 177.731 175.800 0.061 0.000 1.154 113 F CA 0.238 58.298 58.000 0.100 0.000 1.446 113 F CB -0.304 38.734 39.000 0.064 0.000 1.112 113 F HN 0.802 nan 8.300 nan 0.000 0.584 114 A N 0.000 122.936 122.820 0.194 0.000 2.254 114 A HA 0.000 4.321 4.320 0.002 0.000 0.244 114 A CA 0.000 52.106 52.037 0.115 0.000 0.836 114 A CB 0.000 19.055 19.000 0.091 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486