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 1akj_1_E DATA FIRST_RESID 1 DATA SEQUENCE SQFRVSPLDR TWNLGETVEL KcQVLLSNPT SGCSWLFQPR GAAASPTFLL DATA SEQUENCE YLSQNKPKAA EGLDTQRFSG KRLGDTFVLT LSDFRRENEG YYFcSALSNS DATA SEQUENCE IMYFSHFVPV FLPA 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.656 174.600 0.093 0.000 1.055 1 S CA 0.000 58.248 58.200 0.080 0.000 1.107 1 S CB 0.000 63.182 63.200 -0.031 0.000 0.593 2 Q N 0.366 120.208 119.800 0.069 0.000 2.329 2 Q HA 0.386 4.726 4.340 -0.000 0.000 0.208 2 Q C -1.010 174.738 176.000 -0.420 0.000 0.934 2 Q CA 0.454 56.119 55.803 -0.230 0.000 0.951 2 Q CB -0.692 27.733 28.738 -0.522 0.000 1.017 2 Q HN 0.597 nan 8.270 nan 0.000 0.490 3 F N -0.658 119.286 119.950 -0.009 0.000 2.664 3 F HA 0.559 5.086 4.527 -0.000 0.000 0.329 3 F C 0.090 175.934 175.800 0.074 0.000 1.090 3 F CA -1.328 56.689 58.000 0.028 0.000 0.978 3 F CB 1.323 40.344 39.000 0.036 0.000 1.378 3 F HN -0.326 nan 8.300 nan 0.000 0.495 4 R N 1.351 122.039 120.500 0.312 0.000 2.539 4 R HA 0.640 4.980 4.340 -0.000 0.000 0.295 4 R C -1.897 174.557 176.300 0.255 0.000 1.138 4 R CA -0.468 55.772 56.100 0.233 0.000 0.936 4 R CB 1.095 31.487 30.300 0.153 0.000 1.182 4 R HN 0.576 nan 8.270 nan 0.000 0.459 5 V N 0.959 121.035 119.914 0.269 0.000 3.096 5 V HA 0.958 5.078 4.120 -0.000 0.000 0.319 5 V C -0.427 175.817 176.094 0.251 0.000 1.082 5 V CA -0.365 62.108 62.300 0.289 0.000 1.022 5 V CB 1.869 33.893 31.823 0.335 0.000 1.103 5 V HN 0.876 nan 8.190 nan 0.000 0.455 6 S N 0.418 116.278 115.700 0.266 0.000 2.565 6 S HA 0.660 5.130 4.470 -0.000 0.000 0.274 6 S C -3.477 171.261 174.600 0.230 0.000 1.144 6 S CA -1.082 57.249 58.200 0.218 0.000 0.849 6 S CB 1.411 64.712 63.200 0.168 0.000 1.103 6 S HN 0.703 nan 8.310 nan 0.000 0.455 7 P HA 0.494 nan 4.420 nan 0.000 0.292 7 P C -0.322 177.105 177.300 0.210 0.000 1.287 7 P CA -0.608 62.608 63.100 0.193 0.000 0.800 7 P CB 0.574 32.372 31.700 0.163 0.000 0.945 8 L N 2.465 123.780 121.223 0.154 0.000 2.741 8 L HA 0.208 4.548 4.340 -0.000 0.000 0.237 8 L C 0.395 177.324 176.870 0.099 0.000 1.178 8 L CA 0.320 55.254 54.840 0.156 0.000 0.973 8 L CB -0.119 42.027 42.059 0.146 0.000 1.255 8 L HN 0.406 nan 8.230 nan 0.000 0.498 9 D N -0.787 119.638 120.400 0.041 0.000 2.908 9 D HA 0.164 4.804 4.640 -0.000 0.000 0.361 9 D C 0.129 176.370 176.300 -0.097 0.000 1.416 9 D CA -0.273 53.722 54.000 -0.007 0.000 0.796 9 D CB 0.716 41.511 40.800 -0.009 0.000 1.185 9 D HN 0.084 nan 8.370 nan 0.000 0.451 10 R N -0.263 120.138 120.500 -0.164 0.000 2.764 10 R HA 0.609 4.949 4.340 -0.000 0.000 0.270 10 R C -1.248 174.734 176.300 -0.530 0.000 1.014 10 R CA -0.427 55.407 56.100 -0.445 0.000 0.904 10 R CB 2.098 31.953 30.300 -0.742 0.000 1.236 10 R HN 0.171 nan 8.270 nan 0.000 0.466 11 T N -2.103 112.069 114.554 -0.637 0.000 2.906 11 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 11 T C -0.988 173.409 174.700 -0.504 0.000 1.075 11 T CA -0.751 61.168 62.100 -0.302 0.000 1.005 11 T CB 1.432 70.280 68.868 -0.033 0.000 1.136 11 T HN 0.423 nan 8.240 nan 0.000 0.498 12 W N 0.927 122.190 121.300 -0.060 0.000 2.864 12 W HA 0.475 5.135 4.660 -0.000 0.000 0.343 12 W C -0.177 176.418 176.519 0.127 0.000 1.109 12 W CA -0.850 56.433 57.345 -0.104 0.000 1.192 12 W CB 2.262 31.424 29.460 -0.498 0.000 1.426 12 W HN 0.680 nan 8.180 nan 0.000 0.529 13 N N 1.016 119.920 118.700 0.340 0.000 2.518 13 N HA 0.351 5.091 4.740 -0.000 0.000 0.284 13 N C -0.494 175.219 175.510 0.338 0.000 1.230 13 N CA -0.819 52.407 53.050 0.292 0.000 0.941 13 N CB 1.317 39.893 38.487 0.148 0.000 1.219 13 N HN 0.002 nan 8.380 nan 0.000 0.560 14 L N 0.986 122.326 121.223 0.196 0.000 2.490 14 L HA 0.052 4.392 4.340 -0.000 0.000 0.274 14 L C 1.748 178.682 176.870 0.106 0.000 1.201 14 L CA 1.198 56.107 54.840 0.115 0.000 0.869 14 L CB -0.790 41.289 42.059 0.034 0.000 1.123 14 L HN 0.981 nan 8.230 nan 0.000 0.484 15 G N 2.467 111.321 108.800 0.090 0.000 2.205 15 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.261 15 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.261 15 G C 0.429 175.371 174.900 0.070 0.000 0.980 15 G CA 0.462 45.596 45.100 0.058 0.000 0.632 15 G HN 0.639 nan 8.290 nan 0.000 0.533 16 E N 0.962 121.239 120.200 0.130 0.000 2.301 16 E HA 0.515 4.865 4.350 -0.000 0.000 0.275 16 E C -0.001 176.632 176.600 0.055 0.000 1.030 16 E CA -0.193 56.276 56.400 0.115 0.000 0.852 16 E CB 0.501 30.311 29.700 0.184 0.000 1.060 16 E HN 0.098 nan 8.360 nan 0.000 0.401 17 T N 3.134 117.692 114.554 0.006 0.000 2.794 17 T HA 0.208 4.558 4.350 -0.000 0.000 0.296 17 T C -0.480 174.119 174.700 -0.169 0.000 0.949 17 T CA -0.523 61.518 62.100 -0.098 0.000 1.101 17 T CB 0.761 69.582 68.868 -0.079 0.000 0.905 17 T HN 0.221 nan 8.240 nan 0.000 0.516 18 V N 4.206 123.843 119.914 -0.463 0.000 2.394 18 V HA 0.391 4.511 4.120 -0.000 0.000 0.282 18 V C 0.290 176.049 176.094 -0.557 0.000 1.031 18 V CA -0.618 61.172 62.300 -0.851 0.000 0.881 18 V CB 1.305 32.251 31.823 -1.462 0.000 0.982 18 V HN 0.857 nan 8.190 nan 0.000 0.451 19 E N 5.435 125.433 120.200 -0.337 0.000 2.182 19 E HA 0.567 4.917 4.350 -0.000 0.000 0.258 19 E C -1.545 174.937 176.600 -0.196 0.000 0.879 19 E CA -0.538 55.718 56.400 -0.240 0.000 0.754 19 E CB 1.313 30.958 29.700 -0.092 0.000 1.162 19 E HN 0.638 nan 8.360 nan 0.000 0.419 20 L N 3.418 124.448 121.223 -0.322 0.000 2.334 20 L HA 0.622 4.962 4.340 -0.000 0.000 0.272 20 L C -0.121 176.764 176.870 0.024 0.000 1.020 20 L CA -0.935 53.784 54.840 -0.201 0.000 0.812 20 L CB 1.719 43.490 42.059 -0.479 0.000 1.264 20 L HN 0.396 nan 8.230 nan 0.000 0.439 21 K N 1.210 121.784 120.400 0.290 0.000 2.469 21 K HA 0.695 5.014 4.320 -0.000 0.000 0.254 21 K C -1.468 175.448 176.600 0.525 0.000 0.939 21 K CA -0.653 55.890 56.287 0.426 0.000 0.812 21 K CB 2.569 35.214 32.500 0.242 0.000 1.301 21 K HN 0.783 nan 8.250 nan 0.000 0.433 22 c N 0.248 119.136 118.600 0.481 0.000 2.716 22 c HA 0.389 4.959 4.570 -0.000 0.000 0.366 22 c C -0.779 173.511 174.090 0.334 0.000 1.073 22 c CA -0.857 55.673 56.329 0.335 0.000 1.260 22 c CB 0.996 43.560 42.510 0.090 0.000 1.755 22 c HN 0.946 nan 8.230 nan 0.000 0.475 23 Q N 3.133 123.101 119.800 0.280 0.000 2.296 23 Q HA 0.555 4.895 4.340 -0.000 0.000 0.257 23 Q C -0.679 175.424 176.000 0.172 0.000 0.942 23 Q CA -0.321 55.602 55.803 0.201 0.000 0.939 23 Q CB 1.416 30.225 28.738 0.119 0.000 1.198 23 Q HN 0.811 nan 8.270 nan 0.000 0.429 24 V N 6.976 126.964 119.914 0.123 0.000 2.427 24 V HA 0.057 4.177 4.120 -0.000 0.000 0.268 24 V C 0.580 176.533 176.094 -0.234 0.000 1.046 24 V CA 0.135 62.325 62.300 -0.184 0.000 0.970 24 V CB 0.640 32.452 31.823 -0.019 0.000 1.001 24 V HN 0.810 nan 8.190 nan 0.000 0.476 25 L N 6.105 127.097 121.223 -0.386 0.000 2.984 25 L HA 0.356 4.696 4.340 -0.000 0.000 0.246 25 L C 0.276 176.961 176.870 -0.309 0.000 1.268 25 L CA 0.050 54.737 54.840 -0.254 0.000 1.054 25 L CB -0.058 41.899 42.059 -0.170 0.000 1.393 25 L HN 0.478 nan 8.230 nan 0.000 0.532 26 L N -0.832 120.165 121.223 -0.377 0.000 2.464 26 L HA 0.093 4.433 4.340 -0.000 0.000 0.264 26 L C 1.777 178.515 176.870 -0.221 0.000 1.199 26 L CA 0.225 54.844 54.840 -0.368 0.000 0.818 26 L CB 1.319 43.140 42.059 -0.397 0.000 1.102 26 L HN 0.127 nan 8.230 nan 0.000 0.473 27 S N 0.801 116.383 115.700 -0.197 0.000 2.368 27 S HA -0.037 4.433 4.470 -0.000 0.000 0.224 27 S C 0.846 175.395 174.600 -0.085 0.000 1.029 27 S CA 0.974 59.103 58.200 -0.118 0.000 0.988 27 S CB -0.015 63.127 63.200 -0.096 0.000 0.838 27 S HN 0.709 nan 8.310 nan 0.000 0.462 28 N N 2.252 120.900 118.700 -0.085 0.000 2.818 28 N HA 0.317 5.057 4.740 -0.000 0.000 0.301 28 N C -2.991 172.492 175.510 -0.046 0.000 1.821 28 N CA -0.879 52.142 53.050 -0.048 0.000 0.930 28 N CB 1.394 39.867 38.487 -0.024 0.000 1.263 28 N HN 0.443 nan 8.380 nan 0.000 0.487 29 P HA 0.350 nan 4.420 nan 0.000 0.292 29 P C 0.009 177.316 177.300 0.012 0.000 1.326 29 P CA 0.029 63.107 63.100 -0.037 0.000 0.787 29 P CB 1.847 33.508 31.700 -0.064 0.000 0.903 30 T N -0.193 114.384 114.554 0.038 0.000 3.384 30 T HA -0.007 4.343 4.350 -0.000 0.000 0.271 30 T C 0.777 175.524 174.700 0.077 0.000 0.837 30 T CA 0.026 62.163 62.100 0.061 0.000 0.888 30 T CB -0.447 68.445 68.868 0.040 0.000 1.224 30 T HN 0.279 nan 8.240 nan 0.000 0.612 31 S N 2.951 118.690 115.700 0.065 0.000 3.844 31 S HA 0.450 4.920 4.470 -0.000 0.000 0.193 31 S C 1.275 175.928 174.600 0.090 0.000 1.255 31 S CA 0.277 58.529 58.200 0.086 0.000 1.028 31 S CB -1.200 62.046 63.200 0.077 0.000 1.436 31 S HN 0.925 nan 8.310 nan 0.000 0.442 32 G N 0.360 109.175 108.800 0.025 0.000 2.774 32 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.279 32 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.279 32 G C -0.151 174.493 174.900 -0.426 0.000 1.372 32 G CA -0.148 44.807 45.100 -0.242 0.000 0.913 32 G HN 0.910 nan 8.290 nan 0.000 0.562 33 C N -0.102 118.719 119.300 -0.799 0.000 2.811 33 C HA 0.723 5.183 4.460 -0.000 0.000 0.352 33 C C 0.078 174.767 174.990 -0.501 0.000 1.098 33 C CA 0.146 58.679 59.018 -0.808 0.000 1.295 33 C CB 0.933 27.583 27.740 -1.817 0.000 1.758 33 C HN 1.198 nan 8.230 nan 0.000 0.488 34 S N 3.543 119.099 115.700 -0.240 0.000 2.451 34 S HA 0.545 5.015 4.470 -0.000 0.000 0.301 34 S C -1.134 173.279 174.600 -0.312 0.000 1.116 34 S CA -0.251 57.905 58.200 -0.073 0.000 1.093 34 S CB 0.761 64.109 63.200 0.246 0.000 1.017 34 S HN 0.742 nan 8.310 nan 0.000 0.482 35 W N 3.733 124.893 121.300 -0.232 0.000 2.332 35 W HA 0.521 5.181 4.660 -0.000 0.000 0.306 35 W C -0.445 175.873 176.519 -0.334 0.000 1.149 35 W CA -0.560 56.654 57.345 -0.218 0.000 1.271 35 W CB 0.511 29.902 29.460 -0.115 0.000 1.243 35 W HN 0.373 nan 8.180 nan 0.000 0.459 36 L N 3.896 125.021 121.223 -0.164 0.000 2.332 36 L HA 0.684 5.023 4.340 -0.000 0.000 0.269 36 L C -0.779 175.965 176.870 -0.209 0.000 1.016 36 L CA -1.310 53.297 54.840 -0.388 0.000 0.809 36 L CB 1.333 42.797 42.059 -0.993 0.000 1.280 36 L HN 0.243 nan 8.230 nan 0.000 0.447 37 F N 1.144 120.943 119.950 -0.251 0.000 2.569 37 F HA 0.502 5.029 4.527 0.000 0.000 0.312 37 F C -0.837 174.943 175.800 -0.033 0.000 1.109 37 F CA -0.248 57.589 58.000 -0.271 0.000 0.919 37 F CB 1.911 40.632 39.000 -0.465 0.000 1.211 37 F HN 0.447 nan 8.300 nan 0.000 0.446 38 Q N 8.067 127.254 119.800 -1.022 0.000 2.275 38 Q HA 0.418 4.758 4.340 -0.000 0.000 0.258 38 Q C -2.894 172.543 176.000 -0.938 0.000 0.960 38 Q CA -2.317 53.070 55.803 -0.693 0.000 0.801 38 Q CB 2.788 31.346 28.738 -0.300 0.000 1.302 38 Q HN 0.371 nan 8.270 nan 0.000 0.433 39 P HA 0.038 nan 4.420 nan 0.000 0.272 39 P C -0.907 176.345 177.300 -0.079 0.000 1.230 39 P CA -0.257 62.640 63.100 -0.339 0.000 0.788 39 P CB 0.789 32.481 31.700 -0.013 0.000 0.949 40 R N 0.609 121.116 120.500 0.012 0.000 2.491 40 R HA 0.488 4.828 4.340 -0.000 0.000 0.283 40 R C 0.045 176.410 176.300 0.109 0.000 1.072 40 R CA 0.681 56.860 56.100 0.132 0.000 1.048 40 R CB -0.429 29.937 30.300 0.111 0.000 0.983 40 R HN 0.884 nan 8.270 nan 0.000 0.450 41 G N 1.822 110.698 108.800 0.127 0.000 2.521 41 G HA2 0.235 4.195 3.960 -0.000 0.000 0.589 41 G HA3 0.235 4.195 3.960 -0.000 0.000 0.589 41 G C -0.968 173.975 174.900 0.071 0.000 1.501 41 G CA -0.532 44.616 45.100 0.079 0.000 0.887 41 G HN 0.819 nan 8.290 nan 0.000 0.654 42 A N 1.254 124.106 122.820 0.052 0.000 2.492 42 A HA 0.757 5.077 4.320 -0.000 0.000 0.236 42 A C 1.871 179.474 177.584 0.032 0.000 1.078 42 A CA 1.935 53.995 52.037 0.038 0.000 0.773 42 A CB -0.023 18.992 19.000 0.026 0.000 1.023 42 A HN 2.873 nan 8.150 nan 0.000 0.504 43 A N -0.782 122.053 122.820 0.024 0.000 2.829 43 A HA 0.075 4.395 4.320 -0.000 0.000 0.267 43 A C 0.923 178.522 177.584 0.025 0.000 1.370 43 A CA 1.345 53.394 52.037 0.020 0.000 0.900 43 A CB -2.176 16.834 19.000 0.018 0.000 1.044 43 A HN 2.641 nan 8.150 nan 0.000 0.691 44 A N 0.064 122.902 122.820 0.030 0.000 2.362 44 A HA 0.645 4.965 4.320 -0.000 0.000 0.276 44 A C 0.544 178.144 177.584 0.026 0.000 1.153 44 A CA 0.766 52.821 52.037 0.030 0.000 0.813 44 A CB 0.403 19.420 19.000 0.028 0.000 1.081 44 A HN 1.363 nan 8.150 nan 0.000 0.507 45 S N 2.177 117.898 115.700 0.035 0.000 2.617 45 S HA 0.621 5.091 4.470 -0.000 0.000 0.283 45 S C -2.444 172.197 174.600 0.068 0.000 1.189 45 S CA -1.277 56.951 58.200 0.046 0.000 1.036 45 S CB 0.474 63.701 63.200 0.046 0.000 1.014 45 S HN 0.576 nan 8.310 nan 0.000 0.522 46 P HA 0.241 nan 4.420 nan 0.000 0.269 46 P C -1.121 176.269 177.300 0.149 0.000 1.215 46 P CA -0.052 63.148 63.100 0.168 0.000 0.780 46 P CB 0.561 32.406 31.700 0.242 0.000 0.898 47 T N 2.255 116.908 114.554 0.165 0.000 2.881 47 T HA 0.385 4.735 4.350 -0.000 0.000 0.290 47 T C -0.784 174.002 174.700 0.144 0.000 1.000 47 T CA -0.277 61.921 62.100 0.164 0.000 0.978 47 T CB 0.446 69.435 68.868 0.201 0.000 0.997 47 T HN 0.148 nan 8.240 nan 0.000 0.443 48 F N 3.298 123.252 119.950 0.007 0.000 2.429 48 F HA 0.490 5.017 4.527 -0.000 0.000 0.348 48 F C 0.243 176.022 175.800 -0.035 0.000 1.109 48 F CA -0.314 57.680 58.000 -0.010 0.000 1.232 48 F CB 0.397 39.390 39.000 -0.011 0.000 1.157 48 F HN 0.515 nan 8.300 nan 0.000 0.564 49 L N 3.578 124.284 121.223 -0.861 0.000 2.862 49 L HA 0.382 4.722 4.340 -0.000 0.000 0.169 49 L C -0.580 175.835 176.870 -0.759 0.000 1.164 49 L CA -0.143 54.323 54.840 -0.623 0.000 0.858 49 L CB 0.096 41.960 42.059 -0.325 0.000 1.329 49 L HN 0.438 nan 8.230 nan 0.000 0.514 50 L N -1.398 119.337 121.223 -0.813 0.000 2.424 50 L HA 0.398 4.738 4.340 -0.000 0.000 0.258 50 L C -1.814 174.976 176.870 -0.133 0.000 0.995 50 L CA -0.719 53.918 54.840 -0.339 0.000 0.821 50 L CB 3.069 45.125 42.059 -0.005 0.000 1.383 50 L HN -0.078 nan 8.230 nan 0.000 0.410 51 Y N 2.730 123.102 120.300 0.120 0.000 2.332 51 Y HA 0.600 5.150 4.550 -0.000 0.000 0.326 51 Y C -1.445 174.535 175.900 0.134 0.000 0.978 51 Y CA -0.711 57.509 58.100 0.200 0.000 1.205 51 Y CB 1.070 39.744 38.460 0.357 0.000 1.131 51 Y HN 0.313 nan 8.280 nan 0.000 0.462 52 L N 6.984 127.984 121.223 -0.372 0.000 2.272 52 L HA 0.688 5.028 4.340 -0.000 0.000 0.289 52 L C 0.007 176.614 176.870 -0.439 0.000 1.032 52 L CA -0.340 54.379 54.840 -0.202 0.000 0.810 52 L CB 1.183 43.343 42.059 0.169 0.000 1.205 52 L HN 0.798 nan 8.230 nan 0.000 0.422 53 S N 1.045 116.595 115.700 -0.250 0.000 2.973 53 S HA 0.272 4.742 4.470 -0.000 0.000 0.317 53 S C 0.339 174.954 174.600 0.025 0.000 1.196 53 S CA -0.824 57.289 58.200 -0.146 0.000 0.894 53 S CB 1.416 64.504 63.200 -0.188 0.000 1.292 53 S HN 0.564 nan 8.310 nan 0.000 0.614 54 Q N 0.573 120.402 119.800 0.049 0.000 2.364 54 Q HA 0.093 4.433 4.340 -0.000 0.000 0.207 54 Q C -0.065 175.967 176.000 0.053 0.000 0.970 54 Q CA 0.824 56.658 55.803 0.052 0.000 0.888 54 Q CB -0.153 28.616 28.738 0.052 0.000 0.951 54 Q HN 0.450 nan 8.270 nan 0.000 0.469 55 N N 1.169 119.910 118.700 0.067 0.000 2.530 55 N HA 0.119 4.859 4.740 -0.000 0.000 0.283 55 N C -0.589 174.966 175.510 0.073 0.000 1.238 55 N CA -0.403 52.690 53.050 0.071 0.000 0.971 55 N CB 0.549 39.090 38.487 0.090 0.000 1.195 55 N HN 0.062 nan 8.380 nan 0.000 0.583 56 K N 0.050 120.494 120.400 0.073 0.000 2.494 56 K HA 0.174 4.494 4.320 -0.000 0.000 0.273 56 K C -2.406 174.254 176.600 0.099 0.000 0.970 56 K CA -0.778 55.554 56.287 0.075 0.000 0.963 56 K CB -0.635 31.905 32.500 0.066 0.000 0.913 56 K HN 0.215 nan 8.250 nan 0.000 0.502 57 P HA -0.006 nan 4.420 nan 0.000 0.267 57 P C -1.169 176.226 177.300 0.158 0.000 1.205 57 P CA -0.095 63.080 63.100 0.125 0.000 0.765 57 P CB 0.545 32.310 31.700 0.109 0.000 0.828 58 K N 3.371 123.916 120.400 0.241 0.000 2.292 58 K HA 0.575 4.895 4.320 -0.000 0.000 0.270 58 K C -0.543 176.233 176.600 0.294 0.000 1.062 58 K CA -0.533 55.906 56.287 0.253 0.000 0.916 58 K CB -0.021 32.649 32.500 0.283 0.000 1.166 58 K HN 0.438 nan 8.250 nan 0.000 0.458 59 A N 3.232 126.167 122.820 0.191 0.000 2.304 59 A HA 0.675 4.995 4.320 -0.000 0.000 0.271 59 A C -0.117 177.602 177.584 0.224 0.000 1.091 59 A CA -0.212 51.914 52.037 0.149 0.000 0.812 59 A CB 0.333 19.367 19.000 0.057 0.000 1.056 59 A HN 0.908 nan 8.150 nan 0.000 0.489 60 A N 0.839 123.782 122.820 0.206 0.000 2.425 60 A HA 0.379 4.699 4.320 -0.000 0.000 0.242 60 A C 0.329 177.965 177.584 0.087 0.000 1.077 60 A CA -0.236 51.958 52.037 0.263 0.000 0.781 60 A CB -0.151 18.984 19.000 0.224 0.000 1.020 60 A HN 0.825 nan 8.150 nan 0.000 0.494 61 E N 0.291 120.530 120.200 0.064 0.000 2.480 61 E HA 0.311 4.661 4.350 -0.000 0.000 0.258 61 E C 0.961 177.560 176.600 -0.002 0.000 0.984 61 E CA 1.113 57.526 56.400 0.021 0.000 0.930 61 E CB 0.181 29.886 29.700 0.009 0.000 0.936 61 E HN 1.288 nan 8.360 nan 0.000 0.466 62 G N 3.205 111.999 108.800 -0.009 0.000 2.256 62 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.272 62 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.272 62 G C -0.456 174.411 174.900 -0.055 0.000 1.076 62 G CA 0.005 45.091 45.100 -0.023 0.000 0.882 62 G HN 0.355 nan 8.290 nan 0.000 0.497 63 L N 0.369 121.549 121.223 -0.070 0.000 2.307 63 L HA 0.668 5.008 4.340 -0.000 0.000 0.284 63 L C 0.040 176.879 176.870 -0.052 0.000 1.023 63 L CA -1.148 53.598 54.840 -0.157 0.000 0.810 63 L CB 1.553 43.465 42.059 -0.246 0.000 1.231 63 L HN 0.129 nan 8.230 nan 0.000 0.423 64 D N 2.451 122.864 120.400 0.022 0.000 2.357 64 D HA -0.013 4.627 4.640 -0.000 0.000 0.265 64 D C 1.010 177.437 176.300 0.212 0.000 1.334 64 D CA 0.458 54.544 54.000 0.143 0.000 0.984 64 D CB 0.855 41.780 40.800 0.209 0.000 1.077 64 D HN 0.743 nan 8.370 nan 0.000 0.514 65 T N 0.623 115.244 114.554 0.112 0.000 3.118 65 T HA -0.085 4.265 4.350 -0.000 0.000 0.260 65 T C 1.347 176.096 174.700 0.081 0.000 1.139 65 T CA 0.399 62.562 62.100 0.105 0.000 1.085 65 T CB 0.220 69.126 68.868 0.064 0.000 0.934 65 T HN 0.205 nan 8.240 nan 0.000 0.518 66 Q N 0.817 120.657 119.800 0.067 0.000 2.331 66 Q HA 0.198 4.538 4.340 -0.000 0.000 0.203 66 Q C 2.136 178.136 176.000 0.001 0.000 0.944 66 Q CA 0.749 56.569 55.803 0.028 0.000 0.892 66 Q CB 0.104 28.854 28.738 0.019 0.000 0.983 66 Q HN 0.627 nan 8.270 nan 0.000 0.482 67 R N -1.625 118.881 120.500 0.010 0.000 2.257 67 R HA 0.207 4.547 4.340 -0.000 0.000 0.195 67 R C -0.055 176.103 176.300 -0.236 0.000 0.921 67 R CA -0.007 56.014 56.100 -0.130 0.000 1.069 67 R CB 0.678 30.860 30.300 -0.197 0.000 1.115 67 R HN 0.010 nan 8.270 nan 0.000 0.571 68 F N 1.519 121.424 119.950 -0.074 0.000 2.420 68 F HA 0.321 4.848 4.527 -0.000 0.000 0.342 68 F C 0.409 176.165 175.800 -0.073 0.000 1.113 68 F CA -0.412 57.532 58.000 -0.094 0.000 1.059 68 F CB 1.848 40.794 39.000 -0.091 0.000 1.128 68 F HN -0.104 nan 8.300 nan 0.000 0.475 69 S N 1.216 116.964 115.700 0.080 0.000 2.565 69 S HA 0.926 5.396 4.470 -0.000 0.000 0.269 69 S C -0.857 173.755 174.600 0.019 0.000 1.153 69 S CA -0.745 57.483 58.200 0.046 0.000 0.835 69 S CB 1.652 64.861 63.200 0.015 0.000 1.122 69 S HN 1.002 nan 8.310 nan 0.000 0.462 70 G N 0.198 109.033 108.800 0.057 0.000 2.725 70 G HA2 0.847 4.807 3.960 -0.000 0.000 0.288 70 G HA3 0.847 4.807 3.960 -0.000 0.000 0.288 70 G C -1.865 173.102 174.900 0.111 0.000 1.399 70 G CA -1.038 44.119 45.100 0.095 0.000 0.859 70 G HN 1.069 nan 8.290 nan 0.000 0.479 71 K N -0.686 119.805 120.400 0.151 0.000 2.587 71 K HA 0.587 4.907 4.320 -0.000 0.000 0.276 71 K C -1.372 175.290 176.600 0.104 0.000 0.956 71 K CA -1.083 55.269 56.287 0.107 0.000 0.857 71 K CB 2.350 34.879 32.500 0.049 0.000 1.431 71 K HN 0.574 nan 8.250 nan 0.000 0.420 72 R N 2.478 122.985 120.500 0.011 0.000 2.346 72 R HA 0.417 4.757 4.340 -0.000 0.000 0.311 72 R C -1.103 175.077 176.300 -0.201 0.000 0.983 72 R CA -0.682 55.289 56.100 -0.215 0.000 0.880 72 R CB 0.761 30.942 30.300 -0.198 0.000 1.100 72 R HN 0.748 nan 8.270 nan 0.000 0.453 73 L N 5.953 127.012 121.223 -0.273 0.000 2.488 73 L HA 0.320 4.660 4.340 -0.000 0.000 0.250 73 L C 0.650 177.402 176.870 -0.198 0.000 1.280 73 L CA -0.169 54.571 54.840 -0.166 0.000 0.929 73 L CB 1.228 43.233 42.059 -0.091 0.000 1.200 73 L HN 1.168 nan 8.230 nan 0.000 0.495 74 G N 2.272 110.947 108.800 -0.208 0.000 2.552 74 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.267 74 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.267 74 G C 0.293 175.038 174.900 -0.258 0.000 1.174 74 G CA 0.383 45.379 45.100 -0.174 0.000 0.955 74 G HN 0.685 nan 8.290 nan 0.000 0.546 75 D N 0.827 121.114 120.400 -0.187 0.000 2.368 75 D HA 0.324 4.964 4.640 -0.000 0.000 0.218 75 D C 0.584 176.801 176.300 -0.139 0.000 1.112 75 D CA 0.938 54.851 54.000 -0.146 0.000 0.834 75 D CB 0.038 40.809 40.800 -0.048 0.000 0.953 75 D HN 0.475 nan 8.370 nan 0.000 0.505 76 T N 0.781 115.180 114.554 -0.258 0.000 2.815 76 T HA 0.410 4.760 4.350 -0.000 0.000 0.289 76 T C -0.707 173.856 174.700 -0.229 0.000 1.000 76 T CA -0.537 61.506 62.100 -0.095 0.000 0.958 76 T CB 0.636 69.505 68.868 0.002 0.000 0.944 76 T HN -0.104 nan 8.240 nan 0.000 0.442 77 F N 2.010 122.041 119.950 0.136 0.000 2.408 77 F HA 0.578 5.105 4.527 0.000 0.000 0.344 77 F C 0.211 176.261 175.800 0.417 0.000 1.112 77 F CA -1.034 57.091 58.000 0.209 0.000 1.096 77 F CB 1.200 40.270 39.000 0.117 0.000 1.129 77 F HN 0.178 nan 8.300 nan 0.000 0.486 78 V N 4.844 125.044 119.914 0.478 0.000 2.417 78 V HA 0.414 4.534 4.120 -0.000 0.000 0.291 78 V C -0.659 175.512 176.094 0.127 0.000 1.024 78 V CA -0.771 61.712 62.300 0.306 0.000 0.861 78 V CB 1.648 33.544 31.823 0.120 0.000 0.985 78 V HN 0.541 nan 8.190 nan 0.000 0.436 79 L N 4.653 125.701 121.223 -0.292 0.000 2.307 79 L HA 0.794 5.134 4.340 -0.000 0.000 0.284 79 L C 0.020 176.624 176.870 -0.442 0.000 1.023 79 L CA 0.617 55.069 54.840 -0.646 0.000 0.810 79 L CB 1.978 43.078 42.059 -1.598 0.000 1.231 79 L HN 0.751 nan 8.230 nan 0.000 0.423 80 T N 6.286 120.655 114.554 -0.309 0.000 2.890 80 T HA 0.487 4.837 4.350 -0.000 0.000 0.295 80 T C -1.244 173.254 174.700 -0.336 0.000 0.993 80 T CA -0.212 61.714 62.100 -0.289 0.000 0.979 80 T CB 0.998 69.761 68.868 -0.175 0.000 0.967 80 T HN 0.490 nan 8.240 nan 0.000 0.441 81 L N 4.485 125.428 121.223 -0.467 0.000 2.298 81 L HA 0.718 5.058 4.340 -0.000 0.000 0.284 81 L C 0.124 176.737 176.870 -0.428 0.000 1.013 81 L CA -0.370 54.101 54.840 -0.615 0.000 0.824 81 L CB 1.213 42.800 42.059 -0.786 0.000 1.221 81 L HN 0.646 nan 8.230 nan 0.000 0.418 82 S N 2.323 117.818 115.700 -0.342 0.000 2.578 82 S HA 0.546 5.016 4.470 -0.000 0.000 0.283 82 S C -0.095 174.404 174.600 -0.168 0.000 1.195 82 S CA -0.316 57.762 58.200 -0.205 0.000 1.050 82 S CB 1.160 64.274 63.200 -0.142 0.000 1.012 82 S HN 0.828 nan 8.310 nan 0.000 0.511 83 D N -0.018 120.331 120.400 -0.085 0.000 2.990 83 D HA -0.206 4.434 4.640 -0.000 0.000 0.245 83 D C -0.736 175.559 176.300 -0.010 0.000 1.120 83 D CA 0.210 54.186 54.000 -0.039 0.000 0.838 83 D CB -1.549 39.218 40.800 -0.055 0.000 1.000 83 D HN 0.543 nan 8.370 nan 0.000 0.420 84 F N 1.939 121.795 119.950 -0.156 0.000 2.612 84 F HA 0.226 4.753 4.527 -0.000 0.000 0.389 84 F C 1.041 176.791 175.800 -0.084 0.000 1.055 84 F CA 0.479 58.385 58.000 -0.157 0.000 1.232 84 F CB 0.342 39.267 39.000 -0.124 0.000 1.044 84 F HN 0.163 nan 8.300 nan 0.000 0.560 85 R N 4.794 125.014 120.500 -0.467 0.000 2.873 85 R HA 0.357 4.697 4.340 -0.000 0.000 0.264 85 R C 1.193 177.112 176.300 -0.636 0.000 1.026 85 R CA -1.042 54.812 56.100 -0.411 0.000 1.002 85 R CB 1.408 31.581 30.300 -0.211 0.000 1.174 85 R HN 0.682 nan 8.270 nan 0.000 0.488 86 R N 1.606 121.885 120.500 -0.368 0.000 2.127 86 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 86 R C 1.533 177.711 176.300 -0.203 0.000 1.134 86 R CA 2.314 58.249 56.100 -0.276 0.000 0.975 86 R CB 0.026 30.250 30.300 -0.127 0.000 0.865 86 R HN 0.739 nan 8.270 nan 0.000 0.447 87 E N -0.412 119.688 120.200 -0.166 0.000 2.204 87 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 87 E C 0.814 177.370 176.600 -0.073 0.000 0.990 87 E CA 1.596 57.946 56.400 -0.084 0.000 0.821 87 E CB -0.333 29.321 29.700 -0.076 0.000 0.750 87 E HN 0.517 nan 8.360 nan 0.000 0.477 88 N N 0.958 119.561 118.700 -0.162 0.000 2.461 88 N HA 0.003 4.743 4.740 -0.000 0.000 0.188 88 N C -0.414 175.280 175.510 0.308 0.000 1.134 88 N CA -0.017 53.032 53.050 -0.002 0.000 0.878 88 N CB 0.190 38.711 38.487 0.057 0.000 0.972 88 N HN 0.243 nan 8.380 nan 0.000 0.456 89 E N 0.602 120.897 120.200 0.157 0.000 2.360 89 E HA 0.381 4.731 4.350 -0.000 0.000 0.269 89 E C 0.551 177.259 176.600 0.181 0.000 1.022 89 E CA -0.205 56.340 56.400 0.242 0.000 0.887 89 E CB 0.961 30.817 29.700 0.260 0.000 0.990 89 E HN 0.323 nan 8.360 nan 0.000 0.426 90 G N 1.843 110.430 108.800 -0.356 0.000 2.345 90 G HA2 0.054 4.014 3.960 -0.000 0.000 0.285 90 G HA3 0.054 4.014 3.960 -0.000 0.000 0.285 90 G C -1.936 172.460 174.900 -0.840 0.000 1.297 90 G CA -1.037 43.660 45.100 -0.673 0.000 0.875 90 G HN 0.341 nan 8.290 nan 0.000 0.506 91 Y N -0.151 119.803 120.300 -0.577 0.000 2.320 91 Y HA 0.698 5.248 4.550 -0.000 0.000 0.334 91 Y C -0.380 175.317 175.900 -0.337 0.000 1.055 91 Y CA -0.453 57.371 58.100 -0.460 0.000 1.143 91 Y CB 1.391 39.209 38.460 -1.070 0.000 1.193 91 Y HN 0.450 nan 8.280 nan 0.000 0.477 92 Y N 4.135 124.539 120.300 0.174 0.000 2.364 92 Y HA 0.583 5.133 4.550 0.000 0.000 0.340 92 Y C -0.566 175.756 175.900 0.703 0.000 0.975 92 Y CA -1.542 56.804 58.100 0.410 0.000 1.089 92 Y CB 1.202 39.804 38.460 0.238 0.000 1.192 92 Y HN 0.483 nan 8.280 nan 0.000 0.454 93 F N -0.705 119.536 119.950 0.486 0.000 2.685 93 F HA 0.812 5.339 4.527 0.000 0.000 0.315 93 F C -1.301 174.523 175.800 0.041 0.000 1.126 93 F CA -2.114 56.094 58.000 0.346 0.000 0.950 93 F CB 0.231 39.475 39.000 0.407 0.000 1.360 93 F HN 0.371 nan 8.300 nan 0.000 0.469 94 c N 0.735 119.151 118.600 -0.307 0.000 2.399 94 c HA 0.858 5.428 4.570 -0.000 0.000 0.348 94 c C -0.080 173.623 174.090 -0.646 0.000 1.183 94 c CA -0.369 55.510 56.329 -0.750 0.000 2.023 94 c CB 1.379 43.294 42.510 -0.991 0.000 2.361 94 c HN 0.857 nan 8.230 nan 0.000 0.521 95 S N 0.649 116.050 115.700 -0.499 0.000 2.548 95 S HA 0.841 5.311 4.470 -0.000 0.000 0.276 95 S C -1.052 173.476 174.600 -0.120 0.000 1.129 95 S CA -0.174 57.815 58.200 -0.352 0.000 0.931 95 S CB 1.271 64.280 63.200 -0.319 0.000 1.068 95 S HN 1.207 nan 8.310 nan 0.000 0.480 96 A N 3.896 126.769 122.820 0.088 0.000 2.539 96 A HA 0.832 5.152 4.320 -0.000 0.000 0.296 96 A C -1.587 176.070 177.584 0.121 0.000 1.073 96 A CA -0.675 51.433 52.037 0.120 0.000 0.700 96 A CB 1.112 20.217 19.000 0.174 0.000 1.296 96 A HN 0.766 nan 8.150 nan 0.000 0.405 97 L N 0.754 122.028 121.223 0.084 0.000 2.334 97 L HA 0.839 5.179 4.340 -0.000 0.000 0.272 97 L C 0.298 177.232 176.870 0.107 0.000 1.020 97 L CA -0.633 54.254 54.840 0.079 0.000 0.812 97 L CB 2.057 44.132 42.059 0.028 0.000 1.264 97 L HN 0.647 nan 8.230 nan 0.000 0.439 98 S N 2.164 117.940 115.700 0.128 0.000 2.461 98 S HA 0.251 4.721 4.470 -0.000 0.000 0.245 98 S C -0.605 174.052 174.600 0.095 0.000 1.039 98 S CA -0.615 57.652 58.200 0.112 0.000 1.077 98 S CB 0.032 63.310 63.200 0.131 0.000 1.171 98 S HN 0.818 nan 8.310 nan 0.000 0.433 99 N N 3.072 121.801 118.700 0.049 0.000 2.708 99 N HA -0.170 4.570 4.740 -0.000 0.000 0.255 99 N C 0.109 175.628 175.510 0.015 0.000 1.046 99 N CA 0.794 53.862 53.050 0.030 0.000 0.715 99 N CB -1.268 37.240 38.487 0.034 0.000 0.895 99 N HN 0.882 nan 8.380 nan 0.000 0.545 100 S N -2.339 113.361 115.700 0.001 0.000 2.981 100 S HA -0.207 4.262 4.470 -0.000 0.000 0.274 100 S C 0.284 174.851 174.600 -0.056 0.000 1.297 100 S CA 0.994 59.180 58.200 -0.023 0.000 1.266 100 S CB -0.570 62.617 63.200 -0.020 0.000 1.542 100 S HN 0.545 nan 8.310 nan 0.000 0.674 101 I N 1.463 121.994 120.570 -0.066 0.000 2.336 101 I HA 0.467 4.637 4.170 -0.000 0.000 0.292 101 I C 0.305 176.223 176.117 -0.331 0.000 0.991 101 I CA -0.206 60.966 61.300 -0.213 0.000 1.227 101 I CB 1.179 39.032 38.000 -0.244 0.000 1.366 101 I HN 0.304 nan 8.210 nan 0.000 0.466 102 M N 6.428 125.786 119.600 -0.403 0.000 2.264 102 M HA 0.389 4.869 4.480 -0.000 0.000 0.352 102 M C -1.672 174.231 176.300 -0.661 0.000 1.173 102 M CA -0.174 54.879 55.300 -0.410 0.000 1.075 102 M CB 1.033 33.460 32.600 -0.288 0.000 1.621 102 M HN 0.351 nan 8.290 nan 0.000 0.457 103 Y N 3.505 123.615 120.300 -0.317 0.000 2.425 103 Y HA 0.568 5.118 4.550 0.000 0.000 0.344 103 Y C -1.212 174.478 175.900 -0.351 0.000 0.969 103 Y CA -0.532 57.481 58.100 -0.144 0.000 1.052 103 Y CB 1.506 40.040 38.460 0.123 0.000 1.215 103 Y HN 0.498 nan 8.280 nan 0.000 0.451 104 F N 0.811 120.915 119.950 0.257 0.000 2.532 104 F HA 0.571 5.098 4.527 0.000 0.000 0.321 104 F C 0.427 176.142 175.800 -0.142 0.000 1.089 104 F CA -0.952 57.059 58.000 0.018 0.000 0.926 104 F CB 1.946 41.003 39.000 0.095 0.000 1.168 104 F HN 0.459 nan 8.300 nan 0.000 0.459 105 S N 1.137 116.666 115.700 -0.284 0.000 2.686 105 S HA 0.421 4.890 4.470 -0.000 0.000 0.270 105 S C -0.243 174.324 174.600 -0.055 0.000 1.194 105 S CA -0.743 57.310 58.200 -0.245 0.000 0.990 105 S CB 0.541 63.483 63.200 -0.431 0.000 1.029 105 S HN 0.564 nan 8.310 nan 0.000 0.560 106 H N -0.426 118.705 119.070 0.101 0.000 2.546 106 H HA 0.356 4.911 4.556 -0.000 0.000 0.365 106 H C -0.308 175.146 175.328 0.210 0.000 1.220 106 H CA -0.321 55.745 56.048 0.030 0.000 1.386 106 H CB 0.175 29.971 29.762 0.056 0.000 1.510 106 H HN 0.457 nan 8.280 nan 0.000 0.591 107 F N 0.495 120.535 119.950 0.150 0.000 2.471 107 F HA 0.031 4.558 4.527 -0.000 0.000 0.353 107 F C 0.587 176.566 175.800 0.300 0.000 1.113 107 F CA -0.457 57.633 58.000 0.150 0.000 1.262 107 F CB 0.320 39.277 39.000 -0.073 0.000 1.146 107 F HN 0.048 nan 8.300 nan 0.000 0.578 108 V N 5.771 126.034 119.914 0.581 0.000 2.275 108 V HA 0.228 4.348 4.120 -0.000 0.000 0.272 108 V C -2.107 174.243 176.094 0.426 0.000 1.028 108 V CA -1.831 60.745 62.300 0.460 0.000 0.810 108 V CB 0.980 33.056 31.823 0.420 0.000 1.043 108 V HN 0.496 nan 8.190 nan 0.000 0.453 109 P HA 0.111 nan 4.420 nan 0.000 0.266 109 P C -0.562 176.863 177.300 0.209 0.000 1.215 109 P CA 0.205 63.541 63.100 0.394 0.000 0.763 109 P CB 1.309 33.399 31.700 0.649 0.000 0.806 110 V N 5.738 125.500 119.914 -0.253 0.000 2.289 110 V HA 0.365 4.485 4.120 -0.000 0.000 0.272 110 V C -0.231 175.669 176.094 -0.325 0.000 1.026 110 V CA -0.162 62.008 62.300 -0.217 0.000 0.807 110 V CB -0.431 31.013 31.823 -0.632 0.000 1.044 110 V HN 0.355 nan 8.190 nan 0.000 0.443 111 F N 2.427 122.599 119.950 0.370 0.000 2.631 111 F HA 0.662 5.189 4.527 -0.000 0.000 0.328 111 F C 0.145 176.189 175.800 0.407 0.000 1.067 111 F CA -1.063 57.152 58.000 0.359 0.000 0.969 111 F CB 1.569 40.680 39.000 0.186 0.000 1.332 111 F HN 0.121 nan 8.300 nan 0.000 0.490 112 L N 1.871 123.436 121.223 0.570 0.000 2.439 112 L HA 0.408 4.748 4.340 -0.000 0.000 0.261 112 L C -2.258 174.765 176.870 0.255 0.000 1.153 112 L CA -1.773 53.303 54.840 0.394 0.000 0.808 112 L CB 0.362 42.585 42.059 0.274 0.000 1.126 112 L HN 0.286 nan 8.230 nan 0.000 0.460 113 P HA 0.156 nan 4.420 nan 0.000 0.268 113 P C -0.906 176.441 177.300 0.078 0.000 1.205 113 P CA -0.042 63.116 63.100 0.097 0.000 0.771 113 P CB 0.915 32.651 31.700 0.059 0.000 0.858 114 A N 0.000 122.851 122.820 0.052 0.000 2.254 114 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 114 A CA 0.000 52.055 52.037 0.030 0.000 0.836 114 A CB 0.000 19.005 19.000 0.009 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486