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 3lin_1_H DATA FIRST_RESID 1 DATA SEQUENCE PVIPLDPARR PVIKAQVDTQ TSHPKTIEAL LDTGADMTVI PIALFSSNTP DATA SEQUENCE LKNTSVLGAG GQTQDHFKLT SLPVLIRLPF RTTPIVLTSC LVDTKNNWAI DATA SEQUENCE IGRDALQQCQ GVLYLP 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 0.000 177.177 177.300 -0.204 0.000 1.155 1 P CA 0.000 62.921 63.100 -0.298 0.000 0.800 1 P CB 0.000 31.538 31.700 -0.271 0.000 0.726 2 V N 1.616 121.458 119.914 -0.120 0.000 2.461 2 V HA 0.330 4.451 4.120 0.001 0.000 0.275 2 V C 0.469 176.533 176.094 -0.050 0.000 1.047 2 V CA -0.213 62.046 62.300 -0.068 0.000 0.955 2 V CB 0.817 32.617 31.823 -0.038 0.000 0.988 2 V HN 0.347 nan 8.190 nan 0.000 0.471 3 I N 8.067 128.618 120.570 -0.032 0.000 2.359 3 I HA 0.365 4.535 4.170 0.001 0.000 0.284 3 I C -1.739 174.376 176.117 -0.002 0.000 1.018 3 I CA -1.576 59.713 61.300 -0.017 0.000 1.173 3 I CB 1.613 39.604 38.000 -0.014 0.000 1.326 3 I HN 0.522 nan 8.210 nan 0.000 0.462 4 P HA 0.270 nan 4.420 nan 0.000 0.272 4 P C -0.993 176.306 177.300 -0.002 0.000 1.230 4 P CA -0.233 62.867 63.100 0.001 0.000 0.788 4 P CB 1.057 32.757 31.700 -0.000 0.000 0.949 5 L N 1.544 122.764 121.223 -0.004 0.000 2.346 5 L HA 0.529 4.869 4.340 0.001 0.000 0.276 5 L C -0.096 176.768 176.870 -0.010 0.000 1.006 5 L CA -0.465 54.370 54.840 -0.008 0.000 0.817 5 L CB 1.747 43.799 42.059 -0.011 0.000 1.272 5 L HN 0.399 nan 8.230 nan 0.000 0.421 6 D N 3.891 124.284 120.400 -0.011 0.000 2.891 6 D HA 0.269 4.910 4.640 0.001 0.000 0.224 6 D C -2.088 174.204 176.300 -0.013 0.000 1.321 6 D CA -1.450 52.543 54.000 -0.011 0.000 0.929 6 D CB 2.655 43.450 40.800 -0.009 0.000 1.551 6 D HN 0.107 nan 8.370 nan 0.000 0.574 7 P HA -0.025 nan 4.420 nan 0.000 0.220 7 P C 0.928 178.218 177.300 -0.017 0.000 1.148 7 P CA 0.663 63.753 63.100 -0.017 0.000 0.803 7 P CB 0.228 31.918 31.700 -0.016 0.000 0.782 8 A N -0.743 122.069 122.820 -0.013 0.000 2.208 8 A HA 0.062 4.382 4.320 0.001 0.000 0.209 8 A C 1.235 178.812 177.584 -0.012 0.000 1.161 8 A CA 0.298 52.328 52.037 -0.012 0.000 0.782 8 A CB -0.474 18.521 19.000 -0.009 0.000 0.816 8 A HN 0.096 nan 8.150 nan 0.000 0.477 9 R N 0.272 120.764 120.500 -0.013 0.000 2.473 9 R HA 0.320 4.661 4.340 0.001 0.000 0.303 9 R C -0.919 175.373 176.300 -0.014 0.000 1.002 9 R CA -0.473 55.620 56.100 -0.011 0.000 0.884 9 R CB 1.225 31.521 30.300 -0.007 0.000 1.173 9 R HN 0.310 nan 8.270 nan 0.000 0.464 10 R N 3.636 124.125 120.500 -0.018 0.000 2.484 10 R HA 0.087 4.427 4.340 0.001 0.000 0.293 10 R C -1.939 174.354 176.300 -0.012 0.000 1.023 10 R CA -1.226 54.860 56.100 -0.023 0.000 1.037 10 R CB 0.250 30.529 30.300 -0.036 0.000 0.951 10 R HN 0.319 nan 8.270 nan 0.000 0.418 11 P HA 0.021 nan 4.420 nan 0.000 0.274 11 P C -0.428 176.878 177.300 0.009 0.000 1.291 11 P CA -0.073 63.029 63.100 0.002 0.000 0.815 11 P CB 0.691 32.393 31.700 0.003 0.000 0.897 12 V N 2.470 122.393 119.914 0.016 0.000 2.919 12 V HA 0.713 4.834 4.120 0.001 0.000 0.316 12 V C -0.387 175.732 176.094 0.041 0.000 1.077 12 V CA -1.193 61.122 62.300 0.024 0.000 0.977 12 V CB 2.538 34.371 31.823 0.018 0.000 1.039 12 V HN 0.429 nan 8.190 nan 0.000 0.441 13 I N 1.317 121.917 120.570 0.050 0.000 2.722 13 I HA 0.585 4.755 4.170 0.001 0.000 0.295 13 I C -0.788 175.356 176.117 0.046 0.000 1.161 13 I CA -0.966 60.373 61.300 0.066 0.000 1.032 13 I CB 2.294 40.355 38.000 0.102 0.000 1.244 13 I HN 0.685 nan 8.210 nan 0.000 0.421 14 K N 4.886 125.310 120.400 0.041 0.000 2.379 14 K HA 0.617 4.938 4.320 0.001 0.000 0.284 14 K C -0.730 175.873 176.600 0.005 0.000 1.044 14 K CA 0.060 56.361 56.287 0.023 0.000 0.974 14 K CB 1.141 33.654 32.500 0.022 0.000 0.962 14 K HN 0.559 nan 8.250 nan 0.000 0.474 15 A N 3.186 126.004 122.820 -0.004 0.000 2.414 15 A HA 0.408 4.729 4.320 0.001 0.000 0.306 15 A C -1.220 176.348 177.584 -0.028 0.000 1.054 15 A CA -0.720 51.301 52.037 -0.026 0.000 0.724 15 A CB 1.216 20.205 19.000 -0.017 0.000 1.267 15 A HN 0.639 nan 8.150 nan 0.000 0.418 16 Q N 1.845 121.620 119.800 -0.042 0.000 2.331 16 Q HA 0.555 4.895 4.340 0.001 0.000 0.257 16 Q C -1.538 174.434 176.000 -0.047 0.000 0.957 16 Q CA -0.298 55.482 55.803 -0.039 0.000 0.923 16 Q CB 1.066 29.783 28.738 -0.035 0.000 1.212 16 Q HN 0.533 nan 8.270 nan 0.000 0.443 17 V N 4.193 124.073 119.914 -0.056 0.000 2.417 17 V HA 0.213 4.333 4.120 0.001 0.000 0.291 17 V C -0.570 175.464 176.094 -0.100 0.000 1.024 17 V CA -0.690 61.569 62.300 -0.069 0.000 0.861 17 V CB 1.689 33.471 31.823 -0.067 0.000 0.985 17 V HN 0.743 nan 8.190 nan 0.000 0.436 18 D N 3.080 123.428 120.400 -0.087 0.000 2.441 18 D HA 0.234 4.875 4.640 0.001 0.000 0.231 18 D C 1.115 177.347 176.300 -0.114 0.000 1.073 18 D CA -0.141 53.800 54.000 -0.098 0.000 0.850 18 D CB 1.918 42.685 40.800 -0.055 0.000 1.062 18 D HN 0.642 nan 8.370 nan 0.000 0.524 19 T N 0.625 115.055 114.554 -0.206 0.000 3.148 19 T HA -0.041 4.309 4.350 0.001 0.000 0.253 19 T C 0.825 175.478 174.700 -0.079 0.000 1.134 19 T CA 0.272 62.241 62.100 -0.218 0.000 1.051 19 T CB -0.313 68.140 68.868 -0.691 0.000 0.959 19 T HN 0.604 nan 8.240 nan 0.000 0.525 20 Q N 0.081 119.840 119.800 -0.069 0.000 2.452 20 Q HA -0.209 4.132 4.340 0.001 0.000 0.248 20 Q C 0.936 176.937 176.000 0.001 0.000 0.874 20 Q CA 1.327 57.120 55.803 -0.018 0.000 1.208 20 Q CB -2.752 25.993 28.738 0.011 0.000 1.569 20 Q HN 0.881 nan 8.270 nan 0.000 0.579 21 T N -4.184 110.352 114.554 -0.029 0.000 3.003 21 T HA 0.347 4.698 4.350 0.001 0.000 0.261 21 T C 0.514 175.203 174.700 -0.018 0.000 1.003 21 T CA 0.547 62.656 62.100 0.015 0.000 0.917 21 T CB 0.700 69.638 68.868 0.118 0.000 1.084 21 T HN 0.425 nan 8.240 nan 0.000 0.522 22 S N 0.625 116.281 115.700 -0.072 0.000 2.703 22 S HA 0.475 4.945 4.470 0.001 0.000 0.273 22 S C -0.692 173.869 174.600 -0.066 0.000 1.178 22 S CA -1.033 57.133 58.200 -0.057 0.000 0.838 22 S CB 0.448 63.574 63.200 -0.124 0.000 1.178 22 S HN 0.724 nan 8.310 nan 0.000 0.494 23 H N -0.339 118.701 119.070 -0.050 0.000 2.757 23 H HA 0.624 5.180 4.556 0.001 0.000 0.370 23 H C -2.930 172.361 175.328 -0.062 0.000 1.172 23 H CA -1.188 54.832 56.048 -0.047 0.000 1.426 23 H CB -0.906 28.836 29.762 -0.033 0.000 1.438 23 H HN 0.348 nan 8.280 nan 0.000 0.612 24 P HA 0.162 nan 4.420 nan 0.000 0.268 24 P C -0.927 176.334 177.300 -0.064 0.000 1.205 24 P CA -0.141 62.926 63.100 -0.055 0.000 0.771 24 P CB 0.645 32.340 31.700 -0.008 0.000 0.858 25 K N 0.701 121.035 120.400 -0.110 0.000 2.435 25 K HA 0.508 4.829 4.320 0.001 0.000 0.251 25 K C -0.631 175.939 176.600 -0.051 0.000 0.954 25 K CA -0.708 55.526 56.287 -0.087 0.000 0.820 25 K CB 1.626 34.032 32.500 -0.157 0.000 1.292 25 K HN 0.220 nan 8.250 nan 0.000 0.436 26 T N 2.704 117.244 114.554 -0.023 0.000 2.780 26 T HA 0.450 4.800 4.350 0.001 0.000 0.294 26 T C 0.065 174.761 174.700 -0.007 0.000 0.949 26 T CA -0.493 61.601 62.100 -0.011 0.000 1.074 26 T CB -0.145 68.725 68.868 0.002 0.000 0.910 26 T HN 0.482 nan 8.240 nan 0.000 0.501 27 I N -0.432 120.137 120.570 -0.002 0.000 3.042 27 I HA 0.688 4.858 4.170 0.001 0.000 0.310 27 I C -0.555 175.576 176.117 0.023 0.000 1.117 27 I CA -1.184 60.125 61.300 0.014 0.000 1.003 27 I CB 2.409 40.421 38.000 0.020 0.000 1.228 27 I HN 0.367 nan 8.210 nan 0.000 0.443 28 E N 2.608 122.829 120.200 0.035 0.000 2.113 28 E HA 0.665 5.015 4.350 0.001 0.000 0.273 28 E C -1.192 175.435 176.600 0.044 0.000 0.924 28 E CA -0.804 55.617 56.400 0.035 0.000 0.764 28 E CB 1.760 31.480 29.700 0.033 0.000 1.104 28 E HN 0.813 nan 8.360 nan 0.000 0.406 29 A N 4.334 127.179 122.820 0.041 0.000 2.342 29 A HA 0.394 4.714 4.320 0.001 0.000 0.323 29 A C -0.947 176.658 177.584 0.035 0.000 1.125 29 A CA -0.768 51.297 52.037 0.046 0.000 0.785 29 A CB 0.991 20.020 19.000 0.049 0.000 1.221 29 A HN 0.609 nan 8.150 nan 0.000 0.463 30 L N 2.661 123.899 121.223 0.024 0.000 2.462 30 L HA 0.298 4.638 4.340 0.001 0.000 0.272 30 L C -0.437 176.443 176.870 0.017 0.000 1.166 30 L CA 0.309 55.152 54.840 0.005 0.000 0.880 30 L CB -0.050 41.993 42.059 -0.026 0.000 1.142 30 L HN 0.563 nan 8.230 nan 0.000 0.473 31 L N 5.566 126.800 121.223 0.018 0.000 2.342 31 L HA 0.274 4.614 4.340 0.001 0.000 0.285 31 L C -0.312 176.565 176.870 0.011 0.000 1.095 31 L CA -0.033 54.822 54.840 0.025 0.000 0.843 31 L CB 0.303 42.383 42.059 0.036 0.000 1.201 31 L HN 0.593 nan 8.230 nan 0.000 0.445 32 D N 1.775 122.182 120.400 0.011 0.000 2.446 32 D HA 0.098 4.738 4.640 0.001 0.000 0.251 32 D C 1.209 177.510 176.300 0.002 0.000 1.137 32 D CA -0.359 53.641 54.000 -0.001 0.000 0.890 32 D CB 1.403 42.199 40.800 -0.006 0.000 1.071 32 D HN 0.553 nan 8.370 nan 0.000 0.528 33 T N -0.323 114.232 114.554 0.002 0.000 3.007 33 T HA 0.010 4.360 4.350 0.001 0.000 0.270 33 T C 1.734 176.432 174.700 -0.003 0.000 1.107 33 T CA 0.726 62.827 62.100 0.003 0.000 1.118 33 T CB 0.038 68.909 68.868 0.005 0.000 0.889 33 T HN 0.285 nan 8.240 nan 0.000 0.506 34 G N 0.740 109.535 108.800 -0.009 0.000 2.920 34 G HA2 0.455 4.415 3.960 0.001 0.000 0.208 34 G HA3 0.455 4.415 3.960 0.001 0.000 0.208 34 G C 0.497 175.388 174.900 -0.015 0.000 1.159 34 G CA 0.035 45.127 45.100 -0.012 0.000 0.784 34 G HN 0.820 nan 8.290 nan 0.000 0.535 35 A N 0.554 123.365 122.820 -0.015 0.000 2.260 35 A HA 0.502 4.822 4.320 0.001 0.000 0.308 35 A C 0.745 178.316 177.584 -0.022 0.000 1.254 35 A CA -0.463 51.560 52.037 -0.024 0.000 0.874 35 A CB 0.694 19.681 19.000 -0.021 0.000 1.153 35 A HN 0.063 nan 8.150 nan 0.000 0.527 36 D N 1.728 122.110 120.400 -0.030 0.000 2.178 36 D HA -0.029 4.611 4.640 0.001 0.000 0.201 36 D C 0.479 176.765 176.300 -0.023 0.000 0.980 36 D CA 1.685 55.671 54.000 -0.024 0.000 0.842 36 D CB 0.029 40.811 40.800 -0.030 0.000 0.948 36 D HN 0.625 nan 8.370 nan 0.000 0.472 37 M N -0.912 118.666 119.600 -0.036 0.000 2.593 37 M HA 0.228 4.708 4.480 0.001 0.000 0.290 37 M C -0.408 175.877 176.300 -0.025 0.000 1.244 37 M CA -0.511 54.771 55.300 -0.030 0.000 0.857 37 M CB 2.805 35.377 32.600 -0.048 0.000 1.738 37 M HN -0.396 nan 8.290 nan 0.000 0.461 38 T N 1.520 116.073 114.554 -0.000 0.000 2.910 38 T HA 0.487 4.837 4.350 0.001 0.000 0.293 38 T C -0.626 174.097 174.700 0.037 0.000 1.015 38 T CA -0.380 61.734 62.100 0.023 0.000 1.094 38 T CB 0.842 69.730 68.868 0.034 0.000 0.968 38 T HN 0.370 nan 8.240 nan 0.000 0.521 39 V N 4.731 124.692 119.914 0.077 0.000 2.487 39 V HA 0.582 4.702 4.120 0.001 0.000 0.298 39 V C -0.051 176.151 176.094 0.181 0.000 1.028 39 V CA -0.875 61.513 62.300 0.146 0.000 0.860 39 V CB 1.258 33.212 31.823 0.217 0.000 0.991 39 V HN 0.793 nan 8.190 nan 0.000 0.427 40 I N 2.788 123.479 120.570 0.201 0.000 2.740 40 I HA 0.763 4.933 4.170 0.001 0.000 0.303 40 I C -2.749 173.496 176.117 0.214 0.000 1.044 40 I CA -2.820 58.592 61.300 0.186 0.000 1.064 40 I CB 2.737 40.830 38.000 0.155 0.000 1.249 40 I HN 0.326 nan 8.210 nan 0.000 0.433 41 P HA 0.180 nan 4.420 nan 0.000 0.275 41 P C 0.671 178.087 177.300 0.193 0.000 1.227 41 P CA -0.023 63.161 63.100 0.140 0.000 0.781 41 P CB 1.719 33.476 31.700 0.096 0.000 0.906 42 I N 2.412 123.067 120.570 0.142 0.000 2.567 42 I HA -0.247 3.923 4.170 0.001 0.000 0.257 42 I C 1.930 178.178 176.117 0.219 0.000 1.184 42 I CA 1.151 62.570 61.300 0.199 0.000 1.451 42 I CB -0.114 37.898 38.000 0.019 0.000 1.089 42 I HN 0.340 nan 8.210 nan 0.000 0.441 43 A N 0.538 123.422 122.820 0.106 0.000 2.070 43 A HA -0.157 4.164 4.320 0.001 0.000 0.220 43 A C 2.148 179.750 177.584 0.031 0.000 1.159 43 A CA 1.165 53.236 52.037 0.057 0.000 0.656 43 A CB -0.722 18.292 19.000 0.023 0.000 0.800 43 A HN 0.538 nan 8.150 nan 0.000 0.453 44 L N -1.864 119.366 121.223 0.011 0.000 2.141 44 L HA -0.041 4.299 4.340 0.001 0.000 0.209 44 L C 0.338 177.056 176.870 -0.253 0.000 1.094 44 L CA 0.269 54.998 54.840 -0.184 0.000 0.763 44 L CB -0.324 41.531 42.059 -0.339 0.000 0.908 44 L HN 0.318 nan 8.230 nan 0.000 0.437 45 F N -0.131 119.797 119.950 -0.037 0.000 2.379 45 F HA 0.149 4.676 4.527 0.000 0.000 0.332 45 F C 1.185 176.967 175.800 -0.029 0.000 1.096 45 F CA -1.038 56.943 58.000 -0.031 0.000 1.105 45 F CB 0.795 39.782 39.000 -0.021 0.000 1.189 45 F HN -0.144 nan 8.300 nan 0.000 0.515 46 S N 0.211 116.005 115.700 0.158 0.000 2.546 46 S HA -0.003 4.468 4.470 0.001 0.000 0.290 46 S C 0.894 175.556 174.600 0.103 0.000 1.290 46 S CA -0.296 57.964 58.200 0.099 0.000 1.069 46 S CB 0.617 63.863 63.200 0.076 0.000 0.846 46 S HN 0.706 nan 8.310 nan 0.000 0.495 47 S N 1.429 117.165 115.700 0.059 0.000 2.584 47 S HA -0.078 4.392 4.470 0.001 0.000 0.240 47 S C 0.515 175.124 174.600 0.016 0.000 0.975 47 S CA 0.218 58.438 58.200 0.034 0.000 0.949 47 S CB -0.839 62.372 63.200 0.018 0.000 0.761 47 S HN 0.892 nan 8.310 nan 0.000 0.536 48 N N 0.705 119.419 118.700 0.023 0.000 2.553 48 N HA 0.128 4.869 4.740 0.001 0.000 0.298 48 N C -1.006 174.509 175.510 0.008 0.000 1.596 48 N CA -0.327 52.727 53.050 0.007 0.000 0.910 48 N CB -0.041 38.450 38.487 0.006 0.000 1.336 48 N HN 0.047 nan 8.380 nan 0.000 0.497 49 T N 2.004 116.563 114.554 0.009 0.000 2.897 49 T HA 0.351 4.701 4.350 0.001 0.000 0.294 49 T C -2.417 172.250 174.700 -0.055 0.000 1.004 49 T CA -0.771 61.332 62.100 0.004 0.000 1.106 49 T CB 1.050 69.950 68.868 0.054 0.000 0.949 49 T HN 0.105 nan 8.240 nan 0.000 0.520 50 P HA 0.430 nan 4.420 nan 0.000 0.282 50 P C -1.057 176.189 177.300 -0.091 0.000 1.274 50 P CA -0.266 62.803 63.100 -0.052 0.000 0.770 50 P CB 0.306 31.991 31.700 -0.024 0.000 0.867 51 L N 3.182 124.339 121.223 -0.110 0.000 2.410 51 L HA 0.454 4.794 4.340 0.001 0.000 0.270 51 L C 0.267 177.088 176.870 -0.082 0.000 0.983 51 L CA -1.036 53.722 54.840 -0.136 0.000 0.822 51 L CB 2.365 44.288 42.059 -0.226 0.000 1.285 51 L HN 0.171 nan 8.230 nan 0.000 0.409 52 K N 2.144 122.509 120.400 -0.058 0.000 2.218 52 K HA 0.263 4.583 4.320 0.001 0.000 0.276 52 K C -0.301 176.287 176.600 -0.020 0.000 1.022 52 K CA -0.608 55.661 56.287 -0.031 0.000 0.946 52 K CB 0.605 33.095 32.500 -0.018 0.000 1.000 52 K HN 0.383 nan 8.250 nan 0.000 0.468 53 N N 1.125 119.817 118.700 -0.013 0.000 2.453 53 N HA 0.093 4.833 4.740 0.001 0.000 0.253 53 N C -0.255 175.265 175.510 0.017 0.000 1.252 53 N CA 0.389 53.440 53.050 0.001 0.000 0.917 53 N CB 1.216 39.703 38.487 -0.001 0.000 1.117 53 N HN 0.489 nan 8.380 nan 0.000 0.442 54 T N -1.064 113.514 114.554 0.039 0.000 2.840 54 T HA 0.325 4.676 4.350 0.001 0.000 0.317 54 T C -1.352 173.390 174.700 0.070 0.000 1.401 54 T CA -0.598 61.531 62.100 0.048 0.000 1.028 54 T CB 1.075 69.972 68.868 0.049 0.000 1.317 54 T HN 0.345 nan 8.240 nan 0.000 0.495 55 S N 1.720 117.452 115.700 0.055 0.000 2.472 55 S HA 0.807 5.278 4.470 0.001 0.000 0.303 55 S C -1.090 173.544 174.600 0.056 0.000 1.099 55 S CA -0.422 57.815 58.200 0.062 0.000 1.077 55 S CB 0.826 64.049 63.200 0.037 0.000 1.031 55 S HN 0.581 nan 8.310 nan 0.000 0.487 56 V N 5.035 124.998 119.914 0.081 0.000 2.656 56 V HA 0.542 4.662 4.120 0.001 0.000 0.307 56 V C -0.651 175.465 176.094 0.037 0.000 1.051 56 V CA -0.896 61.423 62.300 0.032 0.000 0.893 56 V CB 1.790 33.611 31.823 -0.003 0.000 0.999 56 V HN 0.858 nan 8.190 nan 0.000 0.426 57 L N 4.109 125.334 121.223 0.004 0.000 2.276 57 L HA 0.877 5.218 4.340 0.001 0.000 0.286 57 L C 0.413 177.290 176.870 0.013 0.000 1.061 57 L CA 0.803 55.650 54.840 0.011 0.000 0.807 57 L CB 0.873 42.933 42.059 0.002 0.000 1.177 57 L HN 0.777 nan 8.230 nan 0.000 0.429 58 G N 2.406 111.229 108.800 0.037 0.000 3.015 58 G HA2 0.572 4.532 3.960 0.001 0.000 0.281 58 G HA3 0.572 4.532 3.960 0.001 0.000 0.281 58 G C 0.248 175.172 174.900 0.040 0.000 1.386 58 G CA -0.175 44.958 45.100 0.056 0.000 0.959 58 G HN 0.854 nan 8.290 nan 0.000 0.522 59 A N -0.705 122.142 122.820 0.044 0.000 1.902 59 A HA 0.170 4.491 4.320 0.001 0.000 0.217 59 A C 2.246 179.847 177.584 0.028 0.000 1.181 59 A CA 2.183 54.237 52.037 0.029 0.000 0.623 59 A CB -0.841 18.173 19.000 0.024 0.000 0.818 59 A HN 1.400 nan 8.150 nan 0.000 0.443 60 G N -1.066 107.757 108.800 0.038 0.000 3.234 60 G HA2 0.465 4.425 3.960 0.001 0.000 0.221 60 G HA3 0.465 4.425 3.960 0.001 0.000 0.221 60 G C 0.891 175.797 174.900 0.010 0.000 1.229 60 G CA 0.633 45.748 45.100 0.024 0.000 0.909 60 G HN 1.581 nan 8.290 nan 0.000 0.510 61 G N -0.536 108.272 108.800 0.013 0.000 2.587 61 G HA2 -0.115 3.846 3.960 0.001 0.000 0.212 61 G HA3 -0.115 3.846 3.960 0.001 0.000 0.212 61 G C -0.350 174.556 174.900 0.011 0.000 1.327 61 G CA -0.228 44.877 45.100 0.009 0.000 0.898 61 G HN 0.655 nan 8.290 nan 0.000 0.551 62 Q N 0.040 119.846 119.800 0.009 0.000 2.288 62 Q HA 0.612 4.952 4.340 0.001 0.000 0.258 62 Q C 0.235 176.242 176.000 0.012 0.000 0.957 62 Q CA 0.791 56.604 55.803 0.017 0.000 0.919 62 Q CB 1.073 29.820 28.738 0.015 0.000 1.185 62 Q HN 0.949 nan 8.270 nan 0.000 0.408 63 T N 3.100 117.676 114.554 0.035 0.000 2.824 63 T HA 0.330 4.680 4.350 0.001 0.000 0.282 63 T C -0.013 174.740 174.700 0.089 0.000 0.993 63 T CA -0.397 61.722 62.100 0.031 0.000 0.967 63 T CB 0.939 69.772 68.868 -0.058 0.000 0.960 63 T HN 0.775 nan 8.240 nan 0.000 0.441 64 Q N 2.306 122.147 119.800 0.068 0.000 2.319 64 Q HA 0.162 4.502 4.340 0.001 0.000 0.209 64 Q C 0.438 176.479 176.000 0.069 0.000 0.884 64 Q CA 0.086 55.931 55.803 0.071 0.000 0.938 64 Q CB 0.669 29.433 28.738 0.042 0.000 1.098 64 Q HN 0.613 nan 8.270 nan 0.000 0.517 65 D N -0.851 119.601 120.400 0.087 0.000 2.431 65 D HA 0.009 4.650 4.640 0.001 0.000 0.227 65 D C 1.366 177.651 176.300 -0.025 0.000 1.030 65 D CA 0.588 54.614 54.000 0.042 0.000 0.897 65 D CB 0.181 41.014 40.800 0.054 0.000 1.058 65 D HN 0.292 nan 8.370 nan 0.000 0.500 66 H N -1.073 117.856 119.070 -0.234 0.000 2.462 66 H HA 0.054 4.611 4.556 0.001 0.000 0.292 66 H C -0.036 174.814 175.328 -0.797 0.000 1.049 66 H CA 0.629 56.326 56.048 -0.585 0.000 1.334 66 H CB 0.455 29.751 29.762 -0.776 0.000 1.404 66 H HN 0.075 nan 8.280 nan 0.000 0.544 67 F N 0.551 120.530 119.950 0.048 0.000 2.540 67 F HA 0.384 4.912 4.527 0.001 0.000 0.317 67 F C 0.101 175.889 175.800 -0.020 0.000 1.104 67 F CA -0.959 57.044 58.000 0.006 0.000 0.913 67 F CB 1.993 41.013 39.000 0.032 0.000 1.170 67 F HN -0.310 nan 8.300 nan 0.000 0.450 68 K N 2.274 122.750 120.400 0.127 0.000 2.280 68 K HA 0.735 5.055 4.320 0.001 0.000 0.234 68 K C -1.265 175.360 176.600 0.041 0.000 1.028 68 K CA -1.033 55.277 56.287 0.040 0.000 0.882 68 K CB 2.326 34.793 32.500 -0.055 0.000 1.194 68 K HN 0.492 nan 8.250 nan 0.000 0.458 69 L N 1.232 122.455 121.223 0.001 0.000 2.325 69 L HA 0.278 4.618 4.340 0.001 0.000 0.278 69 L C 0.476 177.323 176.870 -0.038 0.000 1.023 69 L CA -0.725 54.115 54.840 -0.001 0.000 0.811 69 L CB 1.864 43.927 42.059 0.006 0.000 1.249 69 L HN 0.803 nan 8.230 nan 0.000 0.431 70 T N -1.259 113.288 114.554 -0.013 0.000 2.855 70 T HA 0.063 4.414 4.350 0.001 0.000 0.314 70 T C 0.947 175.649 174.700 0.004 0.000 1.077 70 T CA -0.487 61.610 62.100 -0.005 0.000 1.095 70 T CB 0.956 69.889 68.868 0.107 0.000 0.987 70 T HN 0.636 nan 8.240 nan 0.000 0.546 71 S N 1.233 116.939 115.700 0.010 0.000 2.456 71 S HA 0.254 4.725 4.470 0.001 0.000 0.224 71 S C 0.623 175.245 174.600 0.037 0.000 1.035 71 S CA -0.137 58.072 58.200 0.016 0.000 0.940 71 S CB -0.204 63.002 63.200 0.009 0.000 0.799 71 S HN 0.572 nan 8.310 nan 0.000 0.508 72 L N 1.765 123.027 121.223 0.064 0.000 2.330 72 L HA 0.493 4.833 4.340 0.001 0.000 0.271 72 L C -2.716 174.194 176.870 0.067 0.000 1.013 72 L CA -2.776 52.101 54.840 0.062 0.000 0.816 72 L CB 1.070 43.172 42.059 0.072 0.000 1.287 72 L HN -0.135 nan 8.230 nan 0.000 0.435 73 P HA 0.001 nan 4.420 nan 0.000 0.267 73 P C -1.048 176.279 177.300 0.046 0.000 1.201 73 P CA -0.061 63.064 63.100 0.042 0.000 0.775 73 P CB 0.532 32.248 31.700 0.026 0.000 0.854 74 V N 3.703 123.642 119.914 0.042 0.000 2.513 74 V HA 0.330 4.450 4.120 0.001 0.000 0.299 74 V C 0.054 176.152 176.094 0.007 0.000 1.035 74 V CA -0.522 61.795 62.300 0.028 0.000 0.889 74 V CB 1.451 33.302 31.823 0.047 0.000 0.988 74 V HN 0.289 nan 8.190 nan 0.000 0.440 75 L N 5.718 126.934 121.223 -0.011 0.000 2.296 75 L HA 0.612 4.953 4.340 0.001 0.000 0.286 75 L C -0.466 176.386 176.870 -0.029 0.000 1.023 75 L CA 0.168 54.997 54.840 -0.018 0.000 0.812 75 L CB 1.461 43.508 42.059 -0.021 0.000 1.223 75 L HN 0.455 nan 8.230 nan 0.000 0.421 76 I N 3.220 123.772 120.570 -0.031 0.000 2.447 76 I HA 0.459 4.630 4.170 0.001 0.000 0.287 76 I C -0.350 175.730 176.117 -0.062 0.000 1.023 76 I CA -0.669 60.606 61.300 -0.041 0.000 1.083 76 I CB 1.898 39.880 38.000 -0.030 0.000 1.245 76 I HN 0.498 nan 8.210 nan 0.000 0.434 77 R N 5.945 126.401 120.500 -0.073 0.000 2.338 77 R HA 0.660 5.000 4.340 0.001 0.000 0.317 77 R C -1.007 175.206 176.300 -0.146 0.000 0.968 77 R CA -0.499 55.538 56.100 -0.106 0.000 0.849 77 R CB 1.528 31.778 30.300 -0.084 0.000 1.128 77 R HN 0.506 nan 8.270 nan 0.000 0.448 78 L N 4.809 125.881 121.223 -0.252 0.000 2.379 78 L HA 0.379 4.720 4.340 0.001 0.000 0.269 78 L C -1.370 175.242 176.870 -0.430 0.000 1.084 78 L CA -2.168 52.441 54.840 -0.385 0.000 0.802 78 L CB 1.296 42.950 42.059 -0.675 0.000 1.175 78 L HN 0.418 nan 8.230 nan 0.000 0.448 79 P HA -0.187 nan 4.420 nan 0.000 0.216 79 P C 0.846 178.094 177.300 -0.085 0.000 1.150 79 P CA 1.511 64.543 63.100 -0.113 0.000 0.837 79 P CB 0.040 31.765 31.700 0.042 0.000 0.786 80 F N -0.897 119.055 119.950 0.003 0.000 2.660 80 F HA 0.374 4.901 4.527 0.000 0.000 0.302 80 F C 0.479 176.280 175.800 0.001 0.000 1.103 80 F CA -0.995 57.006 58.000 0.002 0.000 1.340 80 F CB -0.347 38.654 39.000 0.001 0.000 1.048 80 F HN -0.205 nan 8.300 nan 0.000 0.551 81 R N -1.399 118.964 120.500 -0.229 0.000 2.626 81 R HA 0.427 4.767 4.340 0.001 0.000 0.274 81 R C 0.238 176.475 176.300 -0.106 0.000 1.031 81 R CA -0.241 55.800 56.100 -0.098 0.000 0.898 81 R CB 1.038 31.292 30.300 -0.077 0.000 1.222 81 R HN 0.061 nan 8.270 nan 0.000 0.455 82 T N -1.936 112.590 114.554 -0.046 0.000 2.851 82 T HA -0.056 4.294 4.350 0.001 0.000 0.262 82 T C 0.848 175.522 174.700 -0.043 0.000 1.043 82 T CA 0.776 62.852 62.100 -0.039 0.000 1.140 82 T CB -0.280 68.578 68.868 -0.017 0.000 0.872 82 T HN 0.607 nan 8.240 nan 0.000 0.446 83 T N 4.968 119.500 114.554 -0.036 0.000 2.928 83 T HA 0.318 4.669 4.350 0.001 0.000 0.305 83 T C -2.349 172.323 174.700 -0.047 0.000 1.035 83 T CA -1.058 61.023 62.100 -0.031 0.000 1.145 83 T CB 0.588 69.445 68.868 -0.018 0.000 0.963 83 T HN 0.302 nan 8.240 nan 0.000 0.545 84 P HA 0.319 nan 4.420 nan 0.000 0.278 84 P C -0.192 177.087 177.300 -0.034 0.000 1.238 84 P CA -0.575 62.499 63.100 -0.044 0.000 0.794 84 P CB 0.626 32.306 31.700 -0.032 0.000 0.955 85 I N 1.667 122.214 120.570 -0.038 0.000 2.588 85 I HA 0.091 4.261 4.170 0.001 0.000 0.283 85 I C 0.248 176.357 176.117 -0.013 0.000 1.119 85 I CA -0.195 61.093 61.300 -0.021 0.000 1.419 85 I CB 0.599 38.587 38.000 -0.021 0.000 1.394 85 I HN 0.020 nan 8.210 nan 0.000 0.562 86 V N 7.701 127.613 119.914 -0.004 0.000 2.407 86 V HA 0.373 4.493 4.120 0.001 0.000 0.291 86 V C -0.066 176.033 176.094 0.008 0.000 1.018 86 V CA -0.567 61.734 62.300 0.001 0.000 0.842 86 V CB 1.463 33.287 31.823 0.002 0.000 0.996 86 V HN 0.461 nan 8.190 nan 0.000 0.426 87 L N 3.960 125.191 121.223 0.013 0.000 2.282 87 L HA 0.359 4.699 4.340 0.001 0.000 0.288 87 L C 1.584 178.468 176.870 0.022 0.000 1.033 87 L CA -0.228 54.623 54.840 0.018 0.000 0.807 87 L CB 1.755 43.828 42.059 0.024 0.000 1.209 87 L HN 0.647 nan 8.230 nan 0.000 0.423 88 T N 0.469 115.035 114.554 0.019 0.000 2.720 88 T HA -0.112 4.239 4.350 0.001 0.000 0.268 88 T C 0.769 175.485 174.700 0.026 0.000 1.037 88 T CA 1.606 63.718 62.100 0.020 0.000 1.144 88 T CB -0.026 68.851 68.868 0.015 0.000 0.864 88 T HN 0.723 nan 8.240 nan 0.000 0.444 89 S N -0.488 115.228 115.700 0.027 0.000 2.556 89 S HA 0.632 5.102 4.470 0.001 0.000 0.271 89 S C -0.616 174.007 174.600 0.037 0.000 1.135 89 S CA -0.837 57.384 58.200 0.034 0.000 0.858 89 S CB 1.630 64.844 63.200 0.024 0.000 1.114 89 S HN 0.631 nan 8.310 nan 0.000 0.468 90 C N 1.484 120.816 119.300 0.054 0.000 3.335 90 C HA 0.800 5.260 4.460 0.001 0.000 0.356 90 C C -0.801 174.225 174.990 0.060 0.000 1.570 90 C CA -1.144 57.904 59.018 0.050 0.000 1.271 90 C CB -0.371 27.403 27.740 0.057 0.000 1.873 90 C HN 0.986 nan 8.230 nan 0.000 0.439 91 L N 1.335 122.590 121.223 0.052 0.000 2.375 91 L HA 0.671 5.012 4.340 0.001 0.000 0.271 91 L C -0.384 176.588 176.870 0.170 0.000 1.107 91 L CA -0.389 54.496 54.840 0.076 0.000 0.806 91 L CB 1.425 43.456 42.059 -0.047 0.000 1.146 91 L HN 0.619 nan 8.230 nan 0.000 0.447 92 V N 1.041 121.080 119.914 0.208 0.000 2.444 92 V HA 0.176 4.297 4.120 0.001 0.000 0.294 92 V C -0.547 175.675 176.094 0.213 0.000 1.022 92 V CA -0.672 61.739 62.300 0.184 0.000 0.850 92 V CB 1.771 33.589 31.823 -0.008 0.000 0.992 92 V HN 0.623 nan 8.190 nan 0.000 0.426 93 D N 3.516 124.029 120.400 0.188 0.000 2.365 93 D HA 0.117 4.758 4.640 0.001 0.000 0.237 93 D C 1.363 177.548 176.300 -0.191 0.000 1.190 93 D CA 0.170 54.138 54.000 -0.053 0.000 0.867 93 D CB 1.659 42.458 40.800 -0.002 0.000 1.050 93 D HN 0.714 nan 8.370 nan 0.000 0.491 94 T N 0.973 115.351 114.554 -0.293 0.000 3.088 94 T HA 0.025 4.375 4.350 0.001 0.000 0.259 94 T C 1.453 175.962 174.700 -0.318 0.000 1.122 94 T CA 0.590 62.541 62.100 -0.249 0.000 1.095 94 T CB 0.354 69.086 68.868 -0.227 0.000 0.930 94 T HN 0.192 nan 8.240 nan 0.000 0.508 95 K N 0.816 120.929 120.400 -0.478 0.000 2.309 95 K HA 0.330 4.651 4.320 0.001 0.000 0.210 95 K C 1.542 177.864 176.600 -0.463 0.000 1.114 95 K CA 0.247 56.216 56.287 -0.530 0.000 0.912 95 K CB 0.570 32.552 32.500 -0.864 0.000 1.198 95 K HN 0.073 nan 8.250 nan 0.000 0.471 96 N N 1.102 119.420 118.700 -0.637 0.000 2.187 96 N HA 0.073 4.813 4.740 0.001 0.000 0.212 96 N C -0.870 174.410 175.510 -0.383 0.000 1.152 96 N CA 0.103 52.792 53.050 -0.601 0.000 0.872 96 N CB 0.637 38.428 38.487 -1.161 0.000 1.025 96 N HN 0.183 nan 8.380 nan 0.000 0.514 97 N N 1.022 119.563 118.700 -0.266 0.000 2.708 97 N HA -0.179 4.562 4.740 0.001 0.000 0.251 97 N C -0.835 174.775 175.510 0.167 0.000 1.017 97 N CA 0.728 53.757 53.050 -0.035 0.000 0.742 97 N CB -0.852 37.636 38.487 0.002 0.000 0.943 97 N HN 0.342 nan 8.380 nan 0.000 0.539 98 W N 0.476 121.820 121.300 0.074 0.000 2.137 98 W HA 0.450 5.110 4.660 0.000 0.000 0.344 98 W C 0.737 177.320 176.519 0.106 0.000 1.286 98 W CA -1.044 56.360 57.345 0.097 0.000 1.240 98 W CB 0.223 29.769 29.460 0.143 0.000 1.141 98 W HN 0.172 nan 8.180 nan 0.000 0.579 99 A N 3.994 127.007 122.820 0.321 0.000 2.335 99 A HA 0.821 5.142 4.320 0.001 0.000 0.304 99 A C -1.158 176.515 177.584 0.148 0.000 1.118 99 A CA -0.640 51.516 52.037 0.200 0.000 0.757 99 A CB 0.611 19.690 19.000 0.132 0.000 1.188 99 A HN 0.520 nan 8.150 nan 0.000 0.460 100 I N 3.814 124.464 120.570 0.134 0.000 2.548 100 I HA 0.286 4.457 4.170 0.001 0.000 0.287 100 I C -0.905 175.249 176.117 0.062 0.000 1.103 100 I CA -0.483 60.868 61.300 0.085 0.000 1.049 100 I CB 1.885 39.940 38.000 0.091 0.000 1.232 100 I HN 0.442 nan 8.210 nan 0.000 0.429 101 I N 5.219 125.816 120.570 0.045 0.000 2.312 101 I HA 0.364 4.534 4.170 0.001 0.000 0.291 101 I C 0.897 177.032 176.117 0.029 0.000 1.031 101 I CA 0.247 61.570 61.300 0.039 0.000 1.293 101 I CB 0.861 38.886 38.000 0.042 0.000 1.403 101 I HN 0.652 nan 8.210 nan 0.000 0.484 102 G N 5.964 114.778 108.800 0.023 0.000 2.642 102 G HA2 0.388 4.348 3.960 0.001 0.000 0.291 102 G HA3 0.388 4.348 3.960 0.001 0.000 0.291 102 G C 0.821 175.730 174.900 0.015 0.000 1.345 102 G CA -0.509 44.598 45.100 0.012 0.000 1.043 102 G HN 0.571 nan 8.290 nan 0.000 0.528 103 R N -0.301 120.204 120.500 0.009 0.000 2.189 103 R HA -0.056 4.285 4.340 0.001 0.000 0.223 103 R C 2.128 178.436 176.300 0.014 0.000 1.092 103 R CA 1.366 57.474 56.100 0.013 0.000 0.989 103 R CB -0.070 30.235 30.300 0.008 0.000 0.876 103 R HN 0.713 nan 8.270 nan 0.000 0.457 104 D N 1.113 121.519 120.400 0.010 0.000 2.092 104 D HA -0.192 4.449 4.640 0.001 0.000 0.193 104 D C 1.699 178.009 176.300 0.016 0.000 0.994 104 D CA 1.709 55.715 54.000 0.011 0.000 0.828 104 D CB -0.454 40.351 40.800 0.008 0.000 0.963 104 D HN 0.158 nan 8.370 nan 0.000 0.450 105 A N 0.557 123.388 122.820 0.019 0.000 1.897 105 A HA 0.026 4.347 4.320 0.001 0.000 0.215 105 A C 2.625 180.229 177.584 0.032 0.000 1.181 105 A CA 1.072 53.122 52.037 0.022 0.000 0.620 105 A CB -0.895 18.118 19.000 0.021 0.000 0.821 105 A HN 0.276 nan 8.150 nan 0.000 0.443 106 L N -0.678 120.567 121.223 0.037 0.000 2.079 106 L HA -0.258 4.082 4.340 0.001 0.000 0.210 106 L C 2.865 179.761 176.870 0.043 0.000 1.081 106 L CA 1.813 56.682 54.840 0.048 0.000 0.752 106 L CB -0.493 41.591 42.059 0.042 0.000 0.896 106 L HN 0.598 nan 8.230 nan 0.000 0.433 107 Q N -0.049 119.770 119.800 0.031 0.000 2.124 107 Q HA -0.250 4.090 4.340 0.001 0.000 0.202 107 Q C 2.195 178.212 176.000 0.028 0.000 0.977 107 Q CA 1.485 57.304 55.803 0.027 0.000 0.850 107 Q CB 0.025 28.775 28.738 0.019 0.000 0.901 107 Q HN 0.550 nan 8.270 nan 0.000 0.429 108 Q N -0.710 119.107 119.800 0.027 0.000 2.224 108 Q HA -0.113 4.228 4.340 0.001 0.000 0.203 108 Q C 1.808 177.829 176.000 0.035 0.000 0.970 108 Q CA 1.265 57.082 55.803 0.025 0.000 0.865 108 Q CB 0.166 28.914 28.738 0.016 0.000 0.922 108 Q HN 0.614 nan 8.270 nan 0.000 0.445 109 C N -1.008 118.324 119.300 0.054 0.000 2.688 109 C HA 0.330 4.790 4.460 0.001 0.000 0.297 109 C C 0.278 175.319 174.990 0.084 0.000 1.308 109 C CA -0.724 58.347 59.018 0.088 0.000 1.726 109 C CB -0.961 26.868 27.740 0.148 0.000 1.982 109 C HN 0.440 nan 8.230 nan 0.000 0.604 110 Q N 0.449 120.282 119.800 0.054 0.000 2.481 110 Q HA -0.151 4.190 4.340 0.001 0.000 0.272 110 Q C 0.708 176.731 176.000 0.038 0.000 1.157 110 Q CA 0.666 56.493 55.803 0.039 0.000 0.935 110 Q CB -1.814 26.944 28.738 0.032 0.000 1.338 110 Q HN 0.951 nan 8.270 nan 0.000 0.494 111 G N 0.257 109.085 108.800 0.048 0.000 2.491 111 G HA2 0.453 4.413 3.960 0.001 0.000 0.242 111 G HA3 0.453 4.413 3.960 0.001 0.000 0.242 111 G C 0.139 175.057 174.900 0.030 0.000 1.266 111 G CA 0.200 45.324 45.100 0.040 0.000 0.844 111 G HN 0.543 nan 8.290 nan 0.000 0.571 112 V N 0.345 120.275 119.914 0.027 0.000 3.007 112 V HA 0.731 4.852 4.120 0.001 0.000 0.311 112 V C -0.338 175.786 176.094 0.051 0.000 1.120 112 V CA -1.362 60.961 62.300 0.037 0.000 0.980 112 V CB 1.792 33.636 31.823 0.036 0.000 1.033 112 V HN 0.621 nan 8.190 nan 0.000 0.429 113 L N 3.276 124.534 121.223 0.059 0.000 2.307 113 L HA 0.542 4.883 4.340 0.001 0.000 0.282 113 L C -1.162 175.787 176.870 0.132 0.000 1.051 113 L CA -0.596 54.285 54.840 0.069 0.000 0.804 113 L CB 1.479 43.559 42.059 0.034 0.000 1.197 113 L HN 0.871 nan 8.230 nan 0.000 0.431 114 Y N 4.805 125.097 120.300 -0.013 0.000 2.331 114 Y HA 0.562 5.113 4.550 0.001 0.000 0.334 114 Y C -1.276 174.617 175.900 -0.012 0.000 0.960 114 Y CA -1.065 57.028 58.100 -0.013 0.000 1.130 114 Y CB 1.065 39.515 38.460 -0.016 0.000 1.164 114 Y HN 0.317 nan 8.280 nan 0.000 0.458 115 L N 8.791 129.697 121.223 -0.527 0.000 2.298 115 L HA 0.543 4.883 4.340 0.001 0.000 0.284 115 L C -1.920 174.468 176.870 -0.804 0.000 1.013 115 L CA -1.955 52.564 54.840 -0.536 0.000 0.824 115 L CB 0.916 42.831 42.059 -0.241 0.000 1.221 115 L HN 0.564 nan 8.230 nan 0.000 0.418 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.786 63.100 -0.523 0.000 0.800 116 P CB 0.000 31.563 31.700 -0.229 0.000 0.726