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_G 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 0.000 177.179 177.300 -0.201 0.000 1.155 1 P CA 0.000 62.903 63.100 -0.328 0.000 0.800 1 P CB 0.000 31.508 31.700 -0.321 0.000 0.726 2 V N 1.772 121.618 119.914 -0.115 0.000 2.465 2 V HA 0.403 4.524 4.120 0.001 0.000 0.279 2 V C 0.364 176.435 176.094 -0.038 0.000 1.045 2 V CA -0.268 61.997 62.300 -0.059 0.000 0.938 2 V CB 1.050 32.853 31.823 -0.032 0.000 0.986 2 V HN 0.366 nan 8.190 nan 0.000 0.467 3 I N 7.043 127.604 120.570 -0.016 0.000 2.420 3 I HA 0.385 4.556 4.170 0.001 0.000 0.282 3 I C -2.158 173.967 176.117 0.012 0.000 1.019 3 I CA -1.628 59.672 61.300 -0.001 0.000 1.130 3 I CB 1.604 39.608 38.000 0.007 0.000 1.262 3 I HN 0.492 nan 8.210 nan 0.000 0.454 4 P HA 0.282 nan 4.420 nan 0.000 0.269 4 P C -0.913 176.395 177.300 0.013 0.000 1.209 4 P CA -0.224 62.884 63.100 0.014 0.000 0.776 4 P CB 0.611 32.317 31.700 0.011 0.000 0.876 5 L N 2.439 123.668 121.223 0.010 0.000 2.307 5 L HA 0.547 4.887 4.340 0.001 0.000 0.284 5 L C -0.049 176.824 176.870 0.006 0.000 1.023 5 L CA -0.325 54.520 54.840 0.008 0.000 0.810 5 L CB 1.420 43.481 42.059 0.003 0.000 1.231 5 L HN 0.352 nan 8.230 nan 0.000 0.423 6 D N 4.395 124.801 120.400 0.010 0.000 2.891 6 D HA 0.245 4.886 4.640 0.001 0.000 0.224 6 D C -1.925 174.383 176.300 0.012 0.000 1.321 6 D CA -1.451 52.554 54.000 0.010 0.000 0.929 6 D CB 2.566 43.373 40.800 0.012 0.000 1.551 6 D HN 0.130 nan 8.370 nan 0.000 0.574 7 P HA -0.096 nan 4.420 nan 0.000 0.218 7 P C 0.970 178.281 177.300 0.019 0.000 1.148 7 P CA 0.828 63.936 63.100 0.013 0.000 0.822 7 P CB 0.264 31.970 31.700 0.009 0.000 0.784 8 A N -0.642 122.188 122.820 0.018 0.000 2.123 8 A HA 0.043 4.363 4.320 0.001 0.000 0.214 8 A C 1.226 178.824 177.584 0.024 0.000 1.152 8 A CA 0.374 52.423 52.037 0.020 0.000 0.728 8 A CB -0.383 18.627 19.000 0.016 0.000 0.814 8 A HN 0.145 nan 8.150 nan 0.000 0.464 9 R N -0.081 120.433 120.500 0.025 0.000 2.473 9 R HA 0.378 4.718 4.340 0.001 0.000 0.303 9 R C -0.976 175.344 176.300 0.033 0.000 1.002 9 R CA -0.473 55.644 56.100 0.028 0.000 0.884 9 R CB 1.435 31.749 30.300 0.024 0.000 1.173 9 R HN 0.249 nan 8.270 nan 0.000 0.464 10 R N 3.277 123.803 120.500 0.043 0.000 2.489 10 R HA 0.092 4.432 4.340 0.001 0.000 0.287 10 R C -1.881 174.448 176.300 0.047 0.000 1.053 10 R CA -1.100 55.030 56.100 0.050 0.000 1.036 10 R CB 0.323 30.664 30.300 0.069 0.000 0.966 10 R HN 0.332 nan 8.270 nan 0.000 0.432 11 P HA 0.006 nan 4.420 nan 0.000 0.269 11 P C -0.785 176.549 177.300 0.056 0.000 1.252 11 P CA 0.017 63.143 63.100 0.044 0.000 0.780 11 P CB 0.625 32.348 31.700 0.038 0.000 0.829 12 V N 2.295 122.244 119.914 0.059 0.000 3.001 12 V HA 0.728 4.848 4.120 0.001 0.000 0.314 12 V C -0.517 175.622 176.094 0.074 0.000 1.099 12 V CA -1.204 61.137 62.300 0.069 0.000 0.989 12 V CB 2.685 34.548 31.823 0.067 0.000 1.040 12 V HN 0.453 nan 8.190 nan 0.000 0.434 13 I N 1.080 121.699 120.570 0.083 0.000 2.802 13 I HA 0.554 4.724 4.170 0.001 0.000 0.298 13 I C -0.942 175.221 176.117 0.077 0.000 1.176 13 I CA -0.838 60.520 61.300 0.097 0.000 1.025 13 I CB 2.368 40.450 38.000 0.136 0.000 1.243 13 I HN 0.662 nan 8.210 nan 0.000 0.424 14 K N 5.101 125.544 120.400 0.071 0.000 2.234 14 K HA 0.698 5.018 4.320 0.001 0.000 0.282 14 K C -0.839 175.781 176.600 0.032 0.000 1.039 14 K CA -0.342 55.974 56.287 0.048 0.000 0.928 14 K CB 1.495 34.020 32.500 0.041 0.000 1.039 14 K HN 0.618 nan 8.250 nan 0.000 0.470 15 A N 2.642 125.473 122.820 0.018 0.000 2.486 15 A HA 0.325 4.645 4.320 0.001 0.000 0.300 15 A C -1.004 176.573 177.584 -0.011 0.000 1.048 15 A CA -0.677 51.356 52.037 -0.006 0.000 0.696 15 A CB 1.437 20.437 19.000 0.001 0.000 1.278 15 A HN 0.646 nan 8.150 nan 0.000 0.405 16 Q N 1.710 121.493 119.800 -0.028 0.000 2.322 16 Q HA 0.519 4.860 4.340 0.001 0.000 0.256 16 Q C -1.364 174.617 176.000 -0.032 0.000 0.960 16 Q CA -0.274 55.513 55.803 -0.026 0.000 0.934 16 Q CB 1.035 29.755 28.738 -0.030 0.000 1.200 16 Q HN 0.551 nan 8.270 nan 0.000 0.435 17 V N 4.270 124.164 119.914 -0.033 0.000 2.370 17 V HA 0.147 4.267 4.120 0.001 0.000 0.279 17 V C -0.333 175.716 176.094 -0.075 0.000 1.029 17 V CA -0.568 61.702 62.300 -0.051 0.000 0.870 17 V CB 1.567 33.358 31.823 -0.054 0.000 0.984 17 V HN 0.692 nan 8.190 nan 0.000 0.451 18 D N 3.395 123.751 120.400 -0.073 0.000 2.472 18 D HA 0.176 4.817 4.640 0.001 0.000 0.234 18 D C 1.252 177.483 176.300 -0.114 0.000 1.088 18 D CA -0.147 53.804 54.000 -0.081 0.000 0.882 18 D CB 1.698 42.472 40.800 -0.044 0.000 1.037 18 D HN 0.649 nan 8.370 nan 0.000 0.520 19 T N 0.622 115.046 114.554 -0.218 0.000 3.160 19 T HA -0.100 4.250 4.350 0.001 0.000 0.257 19 T C 0.835 175.472 174.700 -0.106 0.000 1.147 19 T CA 0.387 62.317 62.100 -0.283 0.000 1.064 19 T CB -0.349 68.020 68.868 -0.832 0.000 0.949 19 T HN 0.601 nan 8.240 nan 0.000 0.526 20 Q N 0.146 119.901 119.800 -0.075 0.000 2.481 20 Q HA -0.196 4.144 4.340 0.001 0.000 0.258 20 Q C 0.712 176.707 176.000 -0.008 0.000 0.961 20 Q CA 1.284 57.073 55.803 -0.023 0.000 1.121 20 Q CB -2.951 25.789 28.738 0.004 0.000 1.503 20 Q HN 0.895 nan 8.270 nan 0.000 0.544 21 T N -4.950 109.584 114.554 -0.033 0.000 3.058 21 T HA 0.493 4.843 4.350 0.001 0.000 0.278 21 T C 0.114 174.790 174.700 -0.040 0.000 0.974 21 T CA 0.435 62.535 62.100 0.002 0.000 0.893 21 T CB 1.340 70.261 68.868 0.090 0.000 1.138 21 T HN 0.156 nan 8.240 nan 0.000 0.529 22 S N 1.154 116.804 115.700 -0.083 0.000 2.622 22 S HA 0.274 4.744 4.470 0.001 0.000 0.275 22 S C -1.283 173.245 174.600 -0.120 0.000 1.112 22 S CA -1.011 57.100 58.200 -0.148 0.000 0.837 22 S CB 0.770 63.854 63.200 -0.194 0.000 1.082 22 S HN 0.646 nan 8.310 nan 0.000 0.456 23 H N 0.522 119.566 119.070 -0.044 0.000 2.871 23 H HA 0.277 4.833 4.556 0.001 0.000 0.355 23 H C -2.796 172.495 175.328 -0.060 0.000 1.092 23 H CA -1.172 54.849 56.048 -0.044 0.000 1.420 23 H CB -0.725 29.018 29.762 -0.031 0.000 1.400 23 H HN 0.187 nan 8.280 nan 0.000 0.604 24 P HA 0.115 nan 4.420 nan 0.000 0.266 24 P C -0.673 176.668 177.300 0.069 0.000 1.195 24 P CA 0.273 63.396 63.100 0.038 0.000 0.768 24 P CB 0.543 32.248 31.700 0.009 0.000 0.838 25 K N 1.052 121.464 120.400 0.021 0.000 2.443 25 K HA 0.392 4.713 4.320 0.001 0.000 0.252 25 K C -0.673 175.929 176.600 0.002 0.000 0.933 25 K CA -0.544 55.759 56.287 0.027 0.000 0.792 25 K CB 1.587 34.100 32.500 0.022 0.000 1.185 25 K HN 0.245 nan 8.250 nan 0.000 0.425 26 T N 3.746 118.304 114.554 0.006 0.000 2.761 26 T HA 0.336 4.687 4.350 0.001 0.000 0.296 26 T C -0.023 174.683 174.700 0.010 0.000 0.934 26 T CA -0.320 61.782 62.100 0.003 0.000 1.091 26 T CB -0.206 68.663 68.868 0.002 0.000 0.896 26 T HN 0.395 nan 8.240 nan 0.000 0.515 27 I N -0.080 120.499 120.570 0.014 0.000 3.002 27 I HA 0.625 4.795 4.170 0.001 0.000 0.310 27 I C -0.240 175.897 176.117 0.034 0.000 1.087 27 I CA -1.507 59.807 61.300 0.024 0.000 1.017 27 I CB 1.546 39.563 38.000 0.029 0.000 1.226 27 I HN 0.449 nan 8.210 nan 0.000 0.443 28 E N 2.149 122.373 120.200 0.040 0.000 2.194 28 E HA 0.680 5.031 4.350 0.001 0.000 0.284 28 E C -1.099 175.543 176.600 0.070 0.000 1.035 28 E CA -0.668 55.763 56.400 0.051 0.000 0.836 28 E CB 0.907 30.635 29.700 0.046 0.000 1.070 28 E HN 0.927 nan 8.360 nan 0.000 0.401 29 A N 4.601 127.467 122.820 0.077 0.000 2.365 29 A HA 0.404 4.724 4.320 0.001 0.000 0.318 29 A C -1.069 176.574 177.584 0.098 0.000 1.091 29 A CA -0.823 51.272 52.037 0.095 0.000 0.763 29 A CB 1.131 20.182 19.000 0.086 0.000 1.248 29 A HN 0.663 nan 8.150 nan 0.000 0.442 30 L N 2.421 123.714 121.223 0.117 0.000 2.462 30 L HA 0.318 4.658 4.340 0.001 0.000 0.272 30 L C -0.472 176.443 176.870 0.076 0.000 1.166 30 L CA 0.317 55.218 54.840 0.101 0.000 0.880 30 L CB -0.016 42.113 42.059 0.116 0.000 1.142 30 L HN 0.557 nan 8.230 nan 0.000 0.473 31 L N 5.444 126.706 121.223 0.066 0.000 2.283 31 L HA 0.300 4.641 4.340 0.001 0.000 0.287 31 L C -0.417 176.475 176.870 0.038 0.000 1.073 31 L CA -0.084 54.790 54.840 0.056 0.000 0.822 31 L CB 0.459 42.554 42.059 0.061 0.000 1.186 31 L HN 0.595 nan 8.230 nan 0.000 0.436 32 D N 1.658 122.074 120.400 0.027 0.000 2.420 32 D HA 0.097 4.738 4.640 0.001 0.000 0.255 32 D C 1.134 177.432 176.300 -0.003 0.000 1.185 32 D CA -0.383 53.620 54.000 0.005 0.000 0.904 32 D CB 1.397 42.190 40.800 -0.011 0.000 1.102 32 D HN 0.552 nan 8.370 nan 0.000 0.534 33 T N -0.348 114.206 114.554 -0.001 0.000 3.007 33 T HA 0.025 4.376 4.350 0.001 0.000 0.270 33 T C 1.673 176.363 174.700 -0.016 0.000 1.107 33 T CA 0.774 62.873 62.100 -0.003 0.000 1.118 33 T CB 0.072 68.942 68.868 0.003 0.000 0.889 33 T HN 0.287 nan 8.240 nan 0.000 0.506 34 G N 0.609 109.393 108.800 -0.028 0.000 2.985 34 G HA2 0.490 4.450 3.960 0.001 0.000 0.209 34 G HA3 0.490 4.450 3.960 0.001 0.000 0.209 34 G C 0.500 175.366 174.900 -0.057 0.000 1.165 34 G CA 0.005 45.080 45.100 -0.042 0.000 0.776 34 G HN 0.801 nan 8.290 nan 0.000 0.541 35 A N 0.635 123.423 122.820 -0.054 0.000 2.276 35 A HA 0.479 4.799 4.320 0.001 0.000 0.300 35 A C 0.822 178.373 177.584 -0.053 0.000 1.235 35 A CA -0.415 51.580 52.037 -0.069 0.000 0.867 35 A CB 0.599 19.560 19.000 -0.064 0.000 1.137 35 A HN 0.076 nan 8.150 nan 0.000 0.527 36 D N 1.731 122.092 120.400 -0.066 0.000 2.144 36 D HA -0.044 4.597 4.640 0.001 0.000 0.200 36 D C 0.966 177.243 176.300 -0.039 0.000 0.978 36 D CA 1.972 55.942 54.000 -0.050 0.000 0.833 36 D CB -0.025 40.740 40.800 -0.057 0.000 0.961 36 D HN 0.802 nan 8.370 nan 0.000 0.470 37 M N -2.327 117.243 119.600 -0.050 0.000 2.664 37 M HA 0.447 4.927 4.480 0.001 0.000 0.279 37 M C -0.733 175.556 176.300 -0.018 0.000 1.275 37 M CA -0.772 54.511 55.300 -0.027 0.000 0.829 37 M CB 2.131 34.718 32.600 -0.023 0.000 1.727 37 M HN -0.447 nan 8.290 nan 0.000 0.459 38 T N 1.508 116.071 114.554 0.016 0.000 2.910 38 T HA 0.531 4.882 4.350 0.001 0.000 0.293 38 T C -0.549 174.197 174.700 0.077 0.000 1.015 38 T CA -0.341 61.786 62.100 0.045 0.000 1.094 38 T CB 1.091 69.991 68.868 0.053 0.000 0.968 38 T HN 0.443 nan 8.240 nan 0.000 0.521 39 V N 4.807 124.791 119.914 0.116 0.000 2.448 39 V HA 0.470 4.590 4.120 0.001 0.000 0.295 39 V C -0.409 175.824 176.094 0.232 0.000 1.025 39 V CA -0.890 61.532 62.300 0.204 0.000 0.859 39 V CB 1.555 33.539 31.823 0.268 0.000 0.988 39 V HN 0.682 nan 8.190 nan 0.000 0.431 40 I N 5.936 126.667 120.570 0.269 0.000 2.441 40 I HA 0.481 4.652 4.170 0.001 0.000 0.295 40 I C -2.542 173.761 176.117 0.310 0.000 0.994 40 I CA -2.844 58.618 61.300 0.271 0.000 1.144 40 I CB 1.920 40.109 38.000 0.314 0.000 1.314 40 I HN 0.352 nan 8.210 nan 0.000 0.445 41 P HA 0.204 nan 4.420 nan 0.000 0.268 41 P C 1.178 178.639 177.300 0.267 0.000 1.205 41 P CA -0.063 63.149 63.100 0.187 0.000 0.771 41 P CB 1.160 32.923 31.700 0.104 0.000 0.858 42 I N 3.030 123.711 120.570 0.186 0.000 2.454 42 I HA -0.279 3.891 4.170 0.001 0.000 0.254 42 I C 1.876 178.158 176.117 0.274 0.000 1.156 42 I CA 1.499 62.928 61.300 0.215 0.000 1.433 42 I CB -0.218 37.795 38.000 0.022 0.000 1.082 42 I HN 0.369 nan 8.210 nan 0.000 0.432 43 A N 0.427 123.333 122.820 0.143 0.000 2.084 43 A HA -0.158 4.162 4.320 0.001 0.000 0.221 43 A C 2.082 179.712 177.584 0.076 0.000 1.161 43 A CA 1.341 53.430 52.037 0.086 0.000 0.653 43 A CB -0.894 18.126 19.000 0.033 0.000 0.802 43 A HN 0.552 nan 8.150 nan 0.000 0.457 44 L N -1.531 119.743 121.223 0.084 0.000 2.599 44 L HA 0.148 4.488 4.340 0.001 0.000 0.230 44 L C -0.271 176.412 176.870 -0.310 0.000 1.141 44 L CA -0.070 54.691 54.840 -0.132 0.000 0.877 44 L CB -0.369 41.546 42.059 -0.240 0.000 1.009 44 L HN 0.303 nan 8.230 nan 0.000 0.447 45 F N -0.763 119.175 119.950 -0.020 0.000 2.507 45 F HA 0.287 4.815 4.527 0.001 0.000 0.327 45 F C 1.022 176.801 175.800 -0.035 0.000 1.068 45 F CA -1.044 56.943 58.000 -0.022 0.000 0.965 45 F CB 1.386 40.381 39.000 -0.008 0.000 1.192 45 F HN -0.175 nan 8.300 nan 0.000 0.476 46 S N 0.146 115.933 115.700 0.145 0.000 2.572 46 S HA 0.050 4.520 4.470 0.001 0.000 0.279 46 S C 0.925 175.571 174.600 0.077 0.000 1.341 46 S CA -0.464 57.775 58.200 0.066 0.000 1.043 46 S CB 1.146 64.366 63.200 0.033 0.000 0.887 46 S HN 0.657 nan 8.310 nan 0.000 0.516 47 S N 2.418 118.141 115.700 0.037 0.000 2.387 47 S HA -0.148 4.322 4.470 0.001 0.000 0.230 47 S C 1.411 176.020 174.600 0.015 0.000 1.035 47 S CA 1.657 59.870 58.200 0.022 0.000 1.014 47 S CB -0.552 62.652 63.200 0.007 0.000 0.836 47 S HN 0.810 nan 8.310 nan 0.000 0.466 48 N N 0.593 119.303 118.700 0.018 0.000 2.392 48 N HA 0.055 4.795 4.740 0.001 0.000 0.177 48 N C 0.148 175.665 175.510 0.011 0.000 1.066 48 N CA 0.288 53.343 53.050 0.009 0.000 0.895 48 N CB -0.517 37.975 38.487 0.008 0.000 0.988 48 N HN 0.355 nan 8.380 nan 0.000 0.457 49 T N 2.334 116.906 114.554 0.031 0.000 2.939 49 T HA 0.072 4.422 4.350 0.001 0.000 0.312 49 T C -2.414 172.284 174.700 -0.003 0.000 1.064 49 T CA -0.674 61.448 62.100 0.037 0.000 1.136 49 T CB 0.095 69.023 68.868 0.100 0.000 1.035 49 T HN 0.065 nan 8.240 nan 0.000 0.538 50 P HA 0.442 nan 4.420 nan 0.000 0.276 50 P C -0.735 176.539 177.300 -0.043 0.000 1.243 50 P CA -0.271 62.819 63.100 -0.018 0.000 0.768 50 P CB 0.393 32.091 31.700 -0.003 0.000 0.856 51 L N 2.820 124.001 121.223 -0.069 0.000 2.354 51 L HA 0.523 4.864 4.340 0.001 0.000 0.264 51 L C 0.288 177.124 176.870 -0.056 0.000 1.008 51 L CA -1.069 53.713 54.840 -0.097 0.000 0.819 51 L CB 2.206 44.152 42.059 -0.189 0.000 1.339 51 L HN 0.157 nan 8.230 nan 0.000 0.420 52 K N 1.580 121.956 120.400 -0.040 0.000 2.183 52 K HA 0.334 4.654 4.320 0.001 0.000 0.274 52 K C -0.729 175.868 176.600 -0.006 0.000 1.009 52 K CA -0.839 55.438 56.287 -0.017 0.000 0.888 52 K CB 0.873 33.370 32.500 -0.006 0.000 1.078 52 K HN 0.375 nan 8.250 nan 0.000 0.459 53 N N 1.408 120.108 118.700 0.001 0.000 2.441 53 N HA 0.060 4.801 4.740 0.001 0.000 0.251 53 N C -0.194 175.332 175.510 0.027 0.000 1.242 53 N CA 0.479 53.539 53.050 0.016 0.000 0.898 53 N CB 1.083 39.579 38.487 0.014 0.000 1.100 53 N HN 0.529 nan 8.380 nan 0.000 0.443 54 T N -0.945 113.638 114.554 0.048 0.000 2.802 54 T HA 0.318 4.668 4.350 0.001 0.000 0.311 54 T C -1.316 173.421 174.700 0.061 0.000 1.405 54 T CA -0.577 61.550 62.100 0.046 0.000 1.016 54 T CB 1.059 69.952 68.868 0.042 0.000 1.352 54 T HN 0.297 nan 8.240 nan 0.000 0.498 55 S N 1.494 117.214 115.700 0.034 0.000 2.451 55 S HA 0.779 5.249 4.470 0.001 0.000 0.301 55 S C -1.027 173.570 174.600 -0.006 0.000 1.116 55 S CA -0.437 57.780 58.200 0.029 0.000 1.093 55 S CB 0.583 63.791 63.200 0.013 0.000 1.017 55 S HN 0.562 nan 8.310 nan 0.000 0.482 56 V N 5.860 125.768 119.914 -0.010 0.000 2.656 56 V HA 0.501 4.621 4.120 0.001 0.000 0.307 56 V C -0.563 175.473 176.094 -0.098 0.000 1.051 56 V CA -0.886 61.346 62.300 -0.114 0.000 0.893 56 V CB 1.956 33.594 31.823 -0.308 0.000 0.999 56 V HN 0.800 nan 8.190 nan 0.000 0.426 57 L N 4.273 125.426 121.223 -0.118 0.000 2.272 57 L HA 0.830 5.170 4.340 0.001 0.000 0.289 57 L C 0.303 177.098 176.870 -0.125 0.000 1.032 57 L CA 0.418 55.201 54.840 -0.095 0.000 0.810 57 L CB 0.806 42.822 42.059 -0.073 0.000 1.205 57 L HN 0.846 nan 8.230 nan 0.000 0.422 58 G N 2.381 111.117 108.800 -0.107 0.000 3.105 58 G HA2 0.511 4.472 3.960 0.001 0.000 0.277 58 G HA3 0.511 4.472 3.960 0.001 0.000 0.277 58 G C 0.441 175.290 174.900 -0.085 0.000 1.375 58 G CA 0.134 45.163 45.100 -0.118 0.000 0.962 58 G HN 0.695 nan 8.290 nan 0.000 0.541 59 A N -0.937 121.832 122.820 -0.086 0.000 2.019 59 A HA 0.163 4.483 4.320 0.001 0.000 0.219 59 A C 2.315 179.874 177.584 -0.042 0.000 1.164 59 A CA 2.280 54.282 52.037 -0.060 0.000 0.644 59 A CB -0.705 18.260 19.000 -0.058 0.000 0.805 59 A HN 1.281 nan 8.150 nan 0.000 0.449 60 G N -1.700 107.075 108.800 -0.043 0.000 2.848 60 G HA2 0.425 4.386 3.960 0.001 0.000 0.208 60 G HA3 0.425 4.386 3.960 0.001 0.000 0.208 60 G C 0.956 175.835 174.900 -0.035 0.000 1.152 60 G CA 0.665 45.745 45.100 -0.032 0.000 0.789 60 G HN 1.618 nan 8.290 nan 0.000 0.531 61 G N -0.845 107.931 108.800 -0.040 0.000 2.472 61 G HA2 -0.131 3.830 3.960 0.001 0.000 0.205 61 G HA3 -0.131 3.830 3.960 0.001 0.000 0.205 61 G C -0.742 174.134 174.900 -0.041 0.000 1.270 61 G CA -0.680 44.399 45.100 -0.036 0.000 0.974 61 G HN 0.296 nan 8.290 nan 0.000 0.542 62 Q N 0.458 120.241 119.800 -0.028 0.000 2.286 62 Q HA 0.591 4.931 4.340 0.001 0.000 0.257 62 Q C 0.083 176.077 176.000 -0.009 0.000 0.941 62 Q CA 0.376 56.167 55.803 -0.019 0.000 0.912 62 Q CB 1.318 30.051 28.738 -0.008 0.000 1.192 62 Q HN 0.774 nan 8.270 nan 0.000 0.410 63 T N 2.190 116.752 114.554 0.013 0.000 2.841 63 T HA 0.312 4.662 4.350 0.001 0.000 0.283 63 T C 0.313 175.084 174.700 0.119 0.000 1.000 63 T CA -0.407 61.728 62.100 0.058 0.000 0.977 63 T CB 0.732 69.607 68.868 0.011 0.000 0.979 63 T HN 0.412 nan 8.240 nan 0.000 0.446 64 Q N 2.500 122.376 119.800 0.126 0.000 2.350 64 Q HA 0.138 4.479 4.340 0.001 0.000 0.225 64 Q C 0.106 176.184 176.000 0.131 0.000 0.878 64 Q CA 0.583 56.451 55.803 0.109 0.000 0.935 64 Q CB 0.669 29.448 28.738 0.069 0.000 1.099 64 Q HN 0.758 nan 8.270 nan 0.000 0.527 65 D N -1.320 119.189 120.400 0.182 0.000 2.441 65 D HA 0.040 4.680 4.640 0.001 0.000 0.210 65 D C 1.090 177.443 176.300 0.089 0.000 1.102 65 D CA 0.132 54.202 54.000 0.118 0.000 0.840 65 D CB 0.069 40.902 40.800 0.054 0.000 0.990 65 D HN 0.138 nan 8.370 nan 0.000 0.505 66 H N -0.479 118.603 119.070 0.019 0.000 2.436 66 H HA 0.257 4.814 4.556 0.001 0.000 0.294 66 H C -0.202 174.893 175.328 -0.388 0.000 1.048 66 H CA 0.612 56.552 56.048 -0.179 0.000 1.353 66 H CB 0.112 29.753 29.762 -0.202 0.000 1.414 66 H HN 0.071 nan 8.280 nan 0.000 0.536 67 F N 0.268 120.298 119.950 0.134 0.000 2.546 67 F HA 0.430 4.957 4.527 0.000 0.000 0.320 67 F C 0.163 175.974 175.800 0.018 0.000 1.076 67 F CA -1.106 56.936 58.000 0.070 0.000 0.928 67 F CB 1.688 40.727 39.000 0.065 0.000 1.189 67 F HN -0.314 nan 8.300 nan 0.000 0.465 68 K N 1.629 122.123 120.400 0.156 0.000 2.306 68 K HA 0.629 4.949 4.320 0.001 0.000 0.236 68 K C -1.491 175.140 176.600 0.051 0.000 1.013 68 K CA -1.077 55.241 56.287 0.052 0.000 0.857 68 K CB 2.702 35.169 32.500 -0.055 0.000 1.214 68 K HN 0.402 nan 8.250 nan 0.000 0.449 69 L N 1.079 122.309 121.223 0.012 0.000 2.322 69 L HA 0.285 4.625 4.340 0.001 0.000 0.279 69 L C 0.284 177.140 176.870 -0.023 0.000 1.036 69 L CA 0.025 54.872 54.840 0.011 0.000 0.807 69 L CB 1.473 43.542 42.059 0.015 0.000 1.226 69 L HN 0.792 nan 8.230 nan 0.000 0.433 70 T N -0.011 114.548 114.554 0.008 0.000 2.856 70 T HA 0.171 4.522 4.350 0.001 0.000 0.306 70 T C 0.928 175.647 174.700 0.031 0.000 1.062 70 T CA -0.205 61.911 62.100 0.026 0.000 1.083 70 T CB 0.562 69.515 68.868 0.140 0.000 0.984 70 T HN 0.588 nan 8.240 nan 0.000 0.542 71 S N 0.566 116.291 115.700 0.042 0.000 2.497 71 S HA 0.287 4.758 4.470 0.001 0.000 0.221 71 S C 0.504 175.137 174.600 0.055 0.000 1.037 71 S CA -0.228 57.995 58.200 0.039 0.000 0.920 71 S CB -0.211 63.006 63.200 0.028 0.000 0.800 71 S HN 0.547 nan 8.310 nan 0.000 0.505 72 L N 1.708 122.982 121.223 0.085 0.000 2.330 72 L HA 0.513 4.854 4.340 0.001 0.000 0.271 72 L C -2.722 174.196 176.870 0.080 0.000 1.013 72 L CA -2.724 52.161 54.840 0.075 0.000 0.816 72 L CB 0.929 43.034 42.059 0.076 0.000 1.287 72 L HN -0.162 nan 8.230 nan 0.000 0.435 73 P HA 0.013 nan 4.420 nan 0.000 0.269 73 P C -0.993 176.337 177.300 0.050 0.000 1.211 73 P CA -0.121 63.008 63.100 0.048 0.000 0.781 73 P CB 0.548 32.266 31.700 0.029 0.000 0.877 74 V N 3.329 123.270 119.914 0.046 0.000 2.459 74 V HA 0.329 4.449 4.120 0.001 0.000 0.295 74 V C 0.160 176.258 176.094 0.006 0.000 1.029 74 V CA -0.530 61.786 62.300 0.027 0.000 0.874 74 V CB 1.198 33.051 31.823 0.051 0.000 0.985 74 V HN 0.303 nan 8.190 nan 0.000 0.438 75 L N 5.811 127.026 121.223 -0.013 0.000 2.309 75 L HA 0.658 4.998 4.340 0.001 0.000 0.282 75 L C -0.639 176.215 176.870 -0.026 0.000 1.036 75 L CA -0.410 54.419 54.840 -0.017 0.000 0.806 75 L CB 1.566 43.613 42.059 -0.020 0.000 1.220 75 L HN 0.444 nan 8.230 nan 0.000 0.429 76 I N 2.921 123.474 120.570 -0.028 0.000 2.466 76 I HA 0.432 4.603 4.170 0.001 0.000 0.289 76 I C -0.476 175.606 176.117 -0.059 0.000 1.026 76 I CA -0.543 60.735 61.300 -0.037 0.000 1.078 76 I CB 2.113 40.099 38.000 -0.023 0.000 1.249 76 I HN 0.576 nan 8.210 nan 0.000 0.429 77 R N 5.229 125.687 120.500 -0.070 0.000 2.387 77 R HA 0.616 4.956 4.340 0.001 0.000 0.314 77 R C -1.200 175.018 176.300 -0.137 0.000 0.958 77 R CA -0.952 55.087 56.100 -0.102 0.000 0.846 77 R CB 1.938 32.191 30.300 -0.079 0.000 1.147 77 R HN 0.305 nan 8.270 nan 0.000 0.447 78 L N 4.310 125.388 121.223 -0.242 0.000 2.399 78 L HA 0.360 4.700 4.340 0.001 0.000 0.265 78 L C -1.401 175.267 176.870 -0.336 0.000 1.089 78 L CA -2.442 52.178 54.840 -0.366 0.000 0.802 78 L CB 0.930 42.535 42.059 -0.756 0.000 1.180 78 L HN 0.423 nan 8.230 nan 0.000 0.454 79 P HA -0.185 nan 4.420 nan 0.000 0.216 79 P C 0.912 178.204 177.300 -0.012 0.000 1.153 79 P CA 1.657 64.740 63.100 -0.028 0.000 0.858 79 P CB 0.021 31.801 31.700 0.133 0.000 0.789 80 F N -2.705 117.248 119.950 0.005 0.000 2.693 80 F HA 0.395 4.922 4.527 0.001 0.000 0.303 80 F C 0.519 176.321 175.800 0.003 0.000 1.097 80 F CA -0.729 57.273 58.000 0.004 0.000 1.330 80 F CB -0.182 38.821 39.000 0.004 0.000 1.067 80 F HN -0.351 nan 8.300 nan 0.000 0.565 81 R N 0.221 120.555 120.500 -0.277 0.000 2.574 81 R HA 0.295 4.635 4.340 0.001 0.000 0.288 81 R C 0.651 176.876 176.300 -0.124 0.000 1.004 81 R CA 0.135 56.131 56.100 -0.175 0.000 0.895 81 R CB 1.926 32.061 30.300 -0.275 0.000 1.191 81 R HN 0.206 nan 8.270 nan 0.000 0.444 82 T N -1.992 112.526 114.554 -0.060 0.000 2.937 82 T HA -0.034 4.317 4.350 0.001 0.000 0.260 82 T C 0.993 175.664 174.700 -0.048 0.000 1.051 82 T CA 0.627 62.700 62.100 -0.046 0.000 1.141 82 T CB -0.017 68.838 68.868 -0.022 0.000 0.879 82 T HN 0.408 nan 8.240 nan 0.000 0.459 83 T N 5.013 119.540 114.554 -0.044 0.000 2.870 83 T HA 0.342 4.693 4.350 0.001 0.000 0.300 83 T C -2.298 172.370 174.700 -0.053 0.000 0.989 83 T CA -0.994 61.084 62.100 -0.038 0.000 1.139 83 T CB 0.799 69.652 68.868 -0.025 0.000 0.920 83 T HN 0.288 nan 8.240 nan 0.000 0.537 84 P HA 0.349 nan 4.420 nan 0.000 0.277 84 P C -0.234 177.044 177.300 -0.037 0.000 1.240 84 P CA -0.614 62.458 63.100 -0.046 0.000 0.798 84 P CB 0.679 32.359 31.700 -0.034 0.000 0.979 85 I N 1.270 121.816 120.570 -0.040 0.000 2.634 85 I HA 0.069 4.239 4.170 0.001 0.000 0.284 85 I C 0.240 176.349 176.117 -0.013 0.000 1.124 85 I CA -0.059 61.227 61.300 -0.023 0.000 1.417 85 I CB 0.586 38.572 38.000 -0.023 0.000 1.396 85 I HN 0.025 nan 8.210 nan 0.000 0.571 86 V N 7.633 127.545 119.914 -0.004 0.000 2.376 86 V HA 0.361 4.481 4.120 0.001 0.000 0.287 86 V C -0.120 175.980 176.094 0.010 0.000 1.015 86 V CA -0.572 61.730 62.300 0.002 0.000 0.834 86 V CB 1.346 33.170 31.823 0.002 0.000 1.001 86 V HN 0.433 nan 8.190 nan 0.000 0.428 87 L N 4.165 125.398 121.223 0.016 0.000 2.272 87 L HA 0.368 4.708 4.340 0.001 0.000 0.289 87 L C 1.500 178.388 176.870 0.029 0.000 1.032 87 L CA -0.269 54.585 54.840 0.024 0.000 0.810 87 L CB 1.668 43.746 42.059 0.032 0.000 1.205 87 L HN 0.636 nan 8.230 nan 0.000 0.422 88 T N 0.222 114.791 114.554 0.025 0.000 2.788 88 T HA -0.113 4.238 4.350 0.001 0.000 0.268 88 T C 0.792 175.513 174.700 0.035 0.000 1.044 88 T CA 1.170 63.285 62.100 0.026 0.000 1.139 88 T CB 0.026 68.906 68.868 0.019 0.000 0.867 88 T HN 0.523 nan 8.240 nan 0.000 0.454 89 S N -0.664 115.058 115.700 0.037 0.000 2.533 89 S HA 0.587 5.057 4.470 0.001 0.000 0.271 89 S C -0.827 173.803 174.600 0.050 0.000 1.143 89 S CA -0.894 57.332 58.200 0.043 0.000 0.891 89 S CB 0.929 64.145 63.200 0.028 0.000 1.105 89 S HN 0.601 nan 8.310 nan 0.000 0.468 90 C N 2.955 122.298 119.300 0.072 0.000 3.316 90 C HA 0.769 5.229 4.460 0.001 0.000 0.360 90 C C -1.284 173.761 174.990 0.092 0.000 1.560 90 C CA -1.100 57.962 59.018 0.073 0.000 1.229 90 C CB -0.383 27.408 27.740 0.084 0.000 1.823 90 C HN 0.818 nan 8.230 nan 0.000 0.440 91 L N 1.104 122.387 121.223 0.101 0.000 2.375 91 L HA 0.775 5.116 4.340 0.001 0.000 0.268 91 L C -0.468 176.539 176.870 0.227 0.000 1.058 91 L CA -0.553 54.371 54.840 0.140 0.000 0.803 91 L CB 1.573 43.678 42.059 0.077 0.000 1.212 91 L HN 0.629 nan 8.230 nan 0.000 0.451 92 V N 0.394 120.451 119.914 0.238 0.000 2.483 92 V HA 0.204 4.325 4.120 0.001 0.000 0.297 92 V C -0.739 175.470 176.094 0.191 0.000 1.027 92 V CA -0.686 61.716 62.300 0.171 0.000 0.855 92 V CB 1.707 33.445 31.823 -0.142 0.000 0.995 92 V HN 0.636 nan 8.190 nan 0.000 0.424 93 D N 3.370 123.880 120.400 0.182 0.000 2.336 93 D HA 0.160 4.800 4.640 0.001 0.000 0.249 93 D C 1.316 177.554 176.300 -0.103 0.000 1.213 93 D CA 0.224 54.189 54.000 -0.059 0.000 0.870 93 D CB 1.735 42.617 40.800 0.137 0.000 1.076 93 D HN 0.717 nan 8.370 nan 0.000 0.483 94 T N 0.703 115.134 114.554 -0.204 0.000 3.129 94 T HA 0.133 4.483 4.350 0.001 0.000 0.251 94 T C 1.209 175.809 174.700 -0.167 0.000 1.117 94 T CA 0.499 62.505 62.100 -0.157 0.000 1.034 94 T CB 0.361 69.133 68.868 -0.160 0.000 0.968 94 T HN 0.278 nan 8.240 nan 0.000 0.526 95 K N 0.487 120.771 120.400 -0.193 0.000 2.469 95 K HA 0.243 4.563 4.320 0.001 0.000 0.228 95 K C 1.797 178.309 176.600 -0.147 0.000 1.266 95 K CA 0.041 56.220 56.287 -0.180 0.000 0.775 95 K CB 0.136 32.487 32.500 -0.247 0.000 1.582 95 K HN 0.047 nan 8.250 nan 0.000 0.415 96 N N 1.457 120.065 118.700 -0.154 0.000 2.336 96 N HA -0.086 4.655 4.740 0.001 0.000 0.189 96 N C -0.023 175.226 175.510 -0.434 0.000 1.113 96 N CA 0.431 53.302 53.050 -0.298 0.000 0.858 96 N CB 0.225 38.510 38.487 -0.336 0.000 0.970 96 N HN 0.299 nan 8.380 nan 0.000 0.471 97 N N 0.172 118.732 118.700 -0.233 0.000 2.815 97 N HA -0.157 4.583 4.740 0.001 0.000 0.249 97 N C -1.323 174.105 175.510 -0.138 0.000 1.114 97 N CA 0.198 53.167 53.050 -0.135 0.000 0.717 97 N CB -1.671 36.729 38.487 -0.144 0.000 1.074 97 N HN 0.241 nan 8.380 nan 0.000 0.555 98 W N 0.788 122.123 121.300 0.059 0.000 2.193 98 W HA 0.361 5.021 4.660 0.000 0.000 0.338 98 W C 0.987 177.566 176.519 0.101 0.000 1.310 98 W CA 0.248 57.648 57.345 0.092 0.000 1.243 98 W CB 0.548 30.096 29.460 0.148 0.000 1.165 98 W HN 0.304 nan 8.180 nan 0.000 0.566 99 A N 4.891 127.914 122.820 0.339 0.000 2.340 99 A HA 0.777 5.098 4.320 0.001 0.000 0.297 99 A C -1.157 176.558 177.584 0.218 0.000 1.195 99 A CA -0.667 51.510 52.037 0.233 0.000 0.769 99 A CB 0.387 19.476 19.000 0.149 0.000 1.163 99 A HN 0.597 nan 8.150 nan 0.000 0.472 100 I N 3.590 124.271 120.570 0.185 0.000 2.499 100 I HA 0.328 4.499 4.170 0.001 0.000 0.288 100 I C -0.835 175.333 176.117 0.086 0.000 1.048 100 I CA -0.549 60.825 61.300 0.124 0.000 1.062 100 I CB 1.969 40.018 38.000 0.082 0.000 1.238 100 I HN 0.427 nan 8.210 nan 0.000 0.426 101 I N 5.297 125.908 120.570 0.069 0.000 2.297 101 I HA 0.349 4.519 4.170 0.001 0.000 0.291 101 I C 0.843 176.982 176.117 0.037 0.000 1.033 101 I CA 0.272 61.605 61.300 0.055 0.000 1.253 101 I CB 0.805 38.840 38.000 0.059 0.000 1.396 101 I HN 0.676 nan 8.210 nan 0.000 0.476 102 G N 6.133 114.948 108.800 0.025 0.000 2.583 102 G HA2 0.368 4.328 3.960 0.001 0.000 0.280 102 G HA3 0.368 4.328 3.960 0.001 0.000 0.280 102 G C 0.875 175.782 174.900 0.011 0.000 1.376 102 G CA -0.473 44.631 45.100 0.007 0.000 1.043 102 G HN 0.560 nan 8.290 nan 0.000 0.538 103 R N -0.204 120.298 120.500 0.002 0.000 2.189 103 R HA -0.061 4.279 4.340 0.001 0.000 0.223 103 R C 2.084 178.390 176.300 0.010 0.000 1.092 103 R CA 1.408 57.512 56.100 0.007 0.000 0.989 103 R CB -0.098 30.202 30.300 0.000 0.000 0.876 103 R HN 0.698 nan 8.270 nan 0.000 0.457 104 D N 1.134 121.538 120.400 0.007 0.000 2.104 104 D HA -0.179 4.462 4.640 0.001 0.000 0.194 104 D C 1.726 178.035 176.300 0.015 0.000 0.994 104 D CA 1.631 55.636 54.000 0.010 0.000 0.830 104 D CB -0.453 40.352 40.800 0.009 0.000 0.959 104 D HN 0.157 nan 8.370 nan 0.000 0.452 105 A N 0.263 123.094 122.820 0.019 0.000 1.897 105 A HA -0.026 4.295 4.320 0.001 0.000 0.215 105 A C 2.256 179.857 177.584 0.028 0.000 1.181 105 A CA 0.945 52.995 52.037 0.021 0.000 0.620 105 A CB -0.662 18.353 19.000 0.025 0.000 0.821 105 A HN 0.197 nan 8.150 nan 0.000 0.443 106 L N 0.109 121.352 121.223 0.034 0.000 2.042 106 L HA -0.223 4.117 4.340 0.001 0.000 0.210 106 L C 2.622 179.516 176.870 0.040 0.000 1.076 106 L CA 2.272 57.139 54.840 0.044 0.000 0.749 106 L CB -1.397 40.686 42.059 0.040 0.000 0.893 106 L HN 0.668 nan 8.230 nan 0.000 0.432 107 Q N -0.792 119.025 119.800 0.028 0.000 2.096 107 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 107 Q C 2.111 178.126 176.000 0.026 0.000 0.982 107 Q CA 1.798 57.615 55.803 0.024 0.000 0.850 107 Q CB 0.015 28.764 28.738 0.017 0.000 0.901 107 Q HN 0.575 nan 8.270 nan 0.000 0.422 108 Q N -0.977 118.837 119.800 0.022 0.000 2.230 108 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 108 Q C 2.155 178.170 176.000 0.024 0.000 0.963 108 Q CA 0.908 56.721 55.803 0.018 0.000 0.866 108 Q CB 0.039 28.783 28.738 0.010 0.000 0.931 108 Q HN 0.443 nan 8.270 nan 0.000 0.452 109 C N 0.500 119.823 119.300 0.038 0.000 2.456 109 C HA -0.052 4.408 4.460 0.001 0.000 0.279 109 C C 0.757 175.798 174.990 0.085 0.000 1.427 109 C CA 0.409 59.469 59.018 0.070 0.000 1.778 109 C CB -0.705 27.092 27.740 0.095 0.000 1.842 109 C HN 0.600 nan 8.230 nan 0.000 0.531 110 Q N -1.060 118.774 119.800 0.058 0.000 2.481 110 Q HA -0.178 4.163 4.340 0.001 0.000 0.272 110 Q C 0.466 176.499 176.000 0.055 0.000 1.157 110 Q CA 0.283 56.116 55.803 0.049 0.000 0.935 110 Q CB -1.896 26.868 28.738 0.043 0.000 1.338 110 Q HN 0.798 nan 8.270 nan 0.000 0.494 111 G N 0.412 109.252 108.800 0.066 0.000 2.441 111 G HA2 0.410 4.370 3.960 0.001 0.000 0.243 111 G HA3 0.410 4.370 3.960 0.001 0.000 0.243 111 G C 0.188 175.116 174.900 0.046 0.000 1.281 111 G CA 0.244 45.382 45.100 0.063 0.000 0.854 111 G HN 0.529 nan 8.290 nan 0.000 0.560 112 V N 0.912 120.852 119.914 0.043 0.000 3.040 112 V HA 0.709 4.830 4.120 0.001 0.000 0.312 112 V C -0.313 175.819 176.094 0.063 0.000 1.115 112 V CA -1.425 60.905 62.300 0.049 0.000 0.998 112 V CB 1.949 33.801 31.823 0.048 0.000 1.042 112 V HN 0.634 nan 8.190 nan 0.000 0.433 113 L N 3.146 124.409 121.223 0.067 0.000 2.275 113 L HA 0.500 4.840 4.340 0.001 0.000 0.288 113 L C -1.307 175.645 176.870 0.137 0.000 1.046 113 L CA -0.638 54.246 54.840 0.074 0.000 0.805 113 L CB 1.393 43.475 42.059 0.037 0.000 1.193 113 L HN 0.901 nan 8.230 nan 0.000 0.426 114 Y N 5.449 125.745 120.300 -0.006 0.000 2.334 114 Y HA 0.474 5.024 4.550 0.000 0.000 0.336 114 Y C -0.980 174.916 175.900 -0.006 0.000 0.960 114 Y CA -0.994 57.102 58.100 -0.007 0.000 1.164 114 Y CB 0.971 39.426 38.460 -0.009 0.000 1.155 114 Y HN 0.333 nan 8.280 nan 0.000 0.478 115 L N 9.183 130.074 121.223 -0.553 0.000 2.294 115 L HA 0.465 4.805 4.340 0.001 0.000 0.283 115 L C -1.876 174.509 176.870 -0.808 0.000 1.015 115 L CA -1.944 52.568 54.840 -0.546 0.000 0.831 115 L CB 0.827 42.740 42.059 -0.242 0.000 1.217 115 L HN 0.582 nan 8.230 nan 0.000 0.420 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.810 63.100 -0.483 0.000 0.800 116 P CB 0.000 31.565 31.700 -0.224 0.000 0.726