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 2c45_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLRTMLKSKI HRATVTCADL HYVGSVTIDA DLMDAADLLE GEQVTIVDID DATA SEQUENCE NGARLVTYAI TGERGSGVIG INGAAAHLVH PGDLVILIAY ATMDDARART DATA SEQUENCE YQPRIVFVDA YNKP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.301 55.300 0.002 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 L N 2.074 123.300 121.223 0.005 0.000 2.280 2 L HA 0.615 4.966 4.340 0.019 0.000 0.287 2 L C -0.524 176.356 176.870 0.015 0.000 1.023 2 L CA -0.571 54.274 54.840 0.008 0.000 0.819 2 L CB 1.503 43.566 42.059 0.006 0.000 1.212 2 L HN 0.634 nan 8.230 nan 0.000 0.420 3 R N 1.084 121.598 120.500 0.024 0.000 2.668 3 R HA 0.454 4.805 4.340 0.019 0.000 0.279 3 R C -0.125 176.208 176.300 0.054 0.000 0.976 3 R CA -0.661 55.461 56.100 0.035 0.000 0.978 3 R CB 2.225 32.550 30.300 0.041 0.000 1.133 3 R HN 0.451 nan 8.270 nan 0.000 0.484 4 T N 2.284 116.876 114.554 0.063 0.000 2.799 4 T HA 0.582 4.943 4.350 0.019 0.000 0.286 4 T C -0.190 174.616 174.700 0.177 0.000 0.973 4 T CA -0.417 61.745 62.100 0.102 0.000 1.035 4 T CB 0.477 69.376 68.868 0.052 0.000 0.932 4 T HN 0.416 nan 8.240 nan 0.000 0.469 5 M N 3.876 123.614 119.600 0.230 0.000 2.575 5 M HA 0.377 4.868 4.480 0.019 0.000 0.284 5 M C -1.102 175.278 176.300 0.133 0.000 1.253 5 M CA -1.234 54.200 55.300 0.223 0.000 0.861 5 M CB 2.130 34.826 32.600 0.161 0.000 1.733 5 M HN 0.523 nan 8.290 nan 0.000 0.462 6 L N 3.497 124.691 121.223 -0.049 0.000 2.698 6 L HA 0.042 4.393 4.340 0.019 0.000 0.272 6 L C 1.078 177.829 176.870 -0.198 0.000 1.154 6 L CA 1.113 55.766 54.840 -0.311 0.000 0.964 6 L CB -0.089 41.787 42.059 -0.305 0.000 1.272 6 L HN 0.785 nan 8.230 nan 0.000 0.483 7 K N 2.545 122.849 120.400 -0.161 0.000 2.168 7 K HA 0.125 4.456 4.320 0.019 0.000 0.201 7 K C 0.052 176.541 176.600 -0.184 0.000 1.049 7 K CA 0.869 57.099 56.287 -0.096 0.000 0.974 7 K CB 0.344 32.885 32.500 0.067 0.000 0.792 7 K HN 0.785 nan 8.250 nan 0.000 0.463 8 S N -0.341 115.257 115.700 -0.171 0.000 2.596 8 S HA 0.487 4.968 4.470 0.019 0.000 0.270 8 S C -1.440 173.068 174.600 -0.153 0.000 1.155 8 S CA -1.006 57.102 58.200 -0.152 0.000 0.827 8 S CB 2.293 65.439 63.200 -0.089 0.000 1.130 8 S HN 0.221 nan 8.310 nan 0.000 0.467 9 K N 1.136 121.462 120.400 -0.123 0.000 2.582 9 K HA 0.361 4.692 4.320 0.019 0.000 0.259 9 K C -2.078 174.498 176.600 -0.039 0.000 0.973 9 K CA -0.575 55.663 56.287 -0.082 0.000 0.880 9 K CB 1.087 33.530 32.500 -0.094 0.000 1.310 9 K HN 0.794 nan 8.250 nan 0.000 0.443 10 I N 4.514 125.085 120.570 0.001 0.000 2.291 10 I HA 0.121 4.302 4.170 0.019 0.000 0.292 10 I C -0.217 175.963 176.117 0.103 0.000 1.064 10 I CA -0.778 60.541 61.300 0.030 0.000 1.269 10 I CB 0.386 38.394 38.000 0.014 0.000 1.418 10 I HN 0.543 nan 8.210 nan 0.000 0.485 11 H N 7.683 126.775 119.070 0.037 0.000 2.800 11 H HA 0.285 4.852 4.556 0.019 0.000 0.291 11 H C 0.163 175.541 175.328 0.082 0.000 1.076 11 H CA -0.188 55.913 56.048 0.087 0.000 1.452 11 H CB 0.245 30.128 29.762 0.202 0.000 1.461 11 H HN 0.440 nan 8.280 nan 0.000 0.488 12 R N 1.847 122.166 120.500 -0.301 0.000 3.532 12 R HA -0.149 4.202 4.340 0.019 0.000 0.284 12 R C -0.371 175.863 176.300 -0.110 0.000 1.140 12 R CA 0.638 56.566 56.100 -0.287 0.000 0.768 12 R CB -2.206 27.806 30.300 -0.479 0.000 1.252 12 R HN 0.606 nan 8.270 nan 0.000 0.454 13 A N 0.753 123.546 122.820 -0.046 0.000 2.407 13 A HA 0.450 4.782 4.320 0.019 0.000 0.248 13 A C 0.617 178.196 177.584 -0.008 0.000 1.082 13 A CA 0.279 52.309 52.037 -0.011 0.000 0.785 13 A CB 0.522 19.525 19.000 0.005 0.000 1.020 13 A HN 0.191 nan 8.150 nan 0.000 0.489 14 T N 1.727 116.287 114.554 0.011 0.000 2.795 14 T HA 0.376 4.737 4.350 0.019 0.000 0.282 14 T C 0.055 174.769 174.700 0.024 0.000 0.980 14 T CA -0.383 61.728 62.100 0.019 0.000 1.012 14 T CB 1.048 69.938 68.868 0.036 0.000 0.936 14 T HN 0.423 nan 8.240 nan 0.000 0.457 15 V N 5.328 125.254 119.914 0.021 0.000 2.416 15 V HA -0.027 4.104 4.120 0.019 0.000 0.267 15 V C 1.734 177.844 176.094 0.027 0.000 1.007 15 V CA 0.517 62.830 62.300 0.022 0.000 1.102 15 V CB -0.721 31.115 31.823 0.023 0.000 1.035 15 V HN 1.043 nan 8.190 nan 0.000 0.473 16 T N 4.013 118.580 114.554 0.022 0.000 2.569 16 T HA -0.145 4.216 4.350 0.019 0.000 0.263 16 T C 0.889 175.601 174.700 0.019 0.000 1.074 16 T CA 1.927 64.039 62.100 0.020 0.000 1.176 16 T CB -0.012 68.864 68.868 0.014 0.000 0.863 16 T HN 0.931 nan 8.240 nan 0.000 0.410 17 C N -0.243 119.069 119.300 0.019 0.000 3.157 17 C HA 0.961 5.432 4.460 0.019 0.000 0.368 17 C C -1.163 173.846 174.990 0.031 0.000 1.623 17 C CA -0.651 58.380 59.018 0.023 0.000 1.530 17 C CB 1.064 28.815 27.740 0.018 0.000 2.152 17 C HN 0.758 nan 8.230 nan 0.000 0.456 18 A N 1.180 124.023 122.820 0.039 0.000 2.547 18 A HA 0.620 4.951 4.320 0.019 0.000 0.300 18 A C -1.915 175.704 177.584 0.059 0.000 1.061 18 A CA 0.187 52.254 52.037 0.050 0.000 0.808 18 A CB 0.972 20.012 19.000 0.067 0.000 1.304 18 A HN 1.193 nan 8.150 nan 0.000 0.393 19 D N 2.275 122.718 120.400 0.073 0.000 2.736 19 D HA 0.428 5.079 4.640 0.019 0.000 0.243 19 D C 0.540 176.918 176.300 0.130 0.000 1.304 19 D CA -0.571 53.486 54.000 0.095 0.000 0.934 19 D CB 1.439 42.298 40.800 0.098 0.000 1.382 19 D HN 0.264 nan 8.370 nan 0.000 0.571 20 L N 3.514 124.827 121.223 0.151 0.000 2.017 20 L HA 0.061 4.412 4.340 0.019 0.000 0.208 20 L C 0.304 177.316 176.870 0.236 0.000 1.073 20 L CA 1.959 56.921 54.840 0.204 0.000 0.745 20 L CB -1.019 41.175 42.059 0.226 0.000 0.894 20 L HN 0.565 nan 8.230 nan 0.000 0.432 21 H N -2.287 116.844 119.070 0.102 0.000 2.505 21 H HA 0.350 4.916 4.556 0.017 0.000 0.355 21 H C -1.041 174.410 175.328 0.204 0.000 1.179 21 H CA -0.233 55.890 56.048 0.125 0.000 1.343 21 H CB 0.201 30.030 29.762 0.112 0.000 1.501 21 H HN 0.097 nan 8.280 nan 0.000 0.569 22 Y N -0.382 119.952 120.300 0.057 0.000 2.557 22 Y HA -0.237 4.324 4.550 0.018 0.000 0.028 22 Y C -1.181 174.740 175.900 0.035 0.000 1.751 22 Y CA 0.047 58.175 58.100 0.047 0.000 1.382 22 Y CB -0.739 37.762 38.460 0.070 0.000 2.030 22 Y HN 0.398 nan 8.280 nan 0.000 0.262 23 V N 4.713 124.487 119.914 -0.234 0.000 2.612 23 V HA 0.809 4.940 4.120 0.019 0.000 0.301 23 V C 0.804 176.898 176.094 -0.000 0.000 1.046 23 V CA 0.347 62.603 62.300 -0.072 0.000 0.946 23 V CB 1.738 33.527 31.823 -0.056 0.000 1.003 23 V HN 1.234 nan 8.190 nan 0.000 0.459 24 G N 1.298 110.113 108.800 0.025 0.000 5.068 24 G HA2 0.353 4.324 3.960 0.019 0.000 0.218 24 G HA3 0.353 4.324 3.960 0.019 0.000 0.218 24 G C 0.408 175.157 174.900 -0.252 0.000 0.891 24 G CA 1.031 46.136 45.100 0.009 0.000 0.776 24 G HN 1.262 nan 8.290 nan 0.000 0.284 25 S N -1.046 114.435 115.700 -0.365 0.000 4.155 25 S HA -0.360 4.121 4.470 0.019 0.000 0.538 25 S C 0.426 174.862 174.600 -0.274 0.000 1.768 25 S CA 1.476 59.387 58.200 -0.482 0.000 4.139 25 S CB -1.322 61.193 63.200 -1.142 0.000 0.908 25 S HN 1.302 nan 8.310 nan 0.000 0.461 26 V N 2.959 122.700 119.914 -0.289 0.000 2.407 26 V HA 0.664 4.796 4.120 0.019 0.000 0.291 26 V C 0.364 176.394 176.094 -0.106 0.000 1.018 26 V CA -0.094 62.120 62.300 -0.143 0.000 0.842 26 V CB 1.158 32.916 31.823 -0.108 0.000 0.996 26 V HN 1.132 nan 8.190 nan 0.000 0.426 27 T N 3.707 118.230 114.554 -0.053 0.000 2.733 27 T HA 0.760 5.121 4.350 0.019 0.000 0.294 27 T C -0.451 174.244 174.700 -0.007 0.000 0.956 27 T CA -0.348 61.742 62.100 -0.018 0.000 0.987 27 T CB 0.511 69.383 68.868 0.006 0.000 0.920 27 T HN 0.373 nan 8.240 nan 0.000 0.470 28 I N 2.473 123.042 120.570 -0.002 0.000 2.525 28 I HA 0.295 4.477 4.170 0.019 0.000 0.301 28 I C 0.550 176.673 176.117 0.010 0.000 0.992 28 I CA -1.162 60.140 61.300 0.003 0.000 1.162 28 I CB 1.411 39.412 38.000 0.001 0.000 1.332 28 I HN 0.634 nan 8.210 nan 0.000 0.458 29 D N 4.178 124.584 120.400 0.011 0.000 2.520 29 D HA -0.032 4.620 4.640 0.019 0.000 0.243 29 D C 1.063 177.370 176.300 0.012 0.000 1.160 29 D CA 0.421 54.429 54.000 0.013 0.000 0.877 29 D CB 1.363 42.172 40.800 0.016 0.000 1.150 29 D HN 0.717 nan 8.370 nan 0.000 0.494 30 A N 5.397 128.225 122.820 0.013 0.000 1.881 30 A HA -0.294 4.037 4.320 0.019 0.000 0.219 30 A C 1.810 179.400 177.584 0.010 0.000 1.215 30 A CA 2.085 54.130 52.037 0.013 0.000 0.648 30 A CB -0.449 18.558 19.000 0.013 0.000 0.832 30 A HN 0.774 nan 8.150 nan 0.000 0.455 31 D N -0.222 120.184 120.400 0.010 0.000 2.149 31 D HA -0.183 4.468 4.640 0.019 0.000 0.194 31 D C 1.953 178.255 176.300 0.003 0.000 1.001 31 D CA 1.559 55.563 54.000 0.007 0.000 0.849 31 D CB -0.348 40.459 40.800 0.010 0.000 0.939 31 D HN 0.519 nan 8.370 nan 0.000 0.449 32 L N 0.116 121.342 121.223 0.005 0.000 2.056 32 L HA -0.124 4.227 4.340 0.019 0.000 0.207 32 L C 2.708 179.576 176.870 -0.004 0.000 1.078 32 L CA 0.759 55.599 54.840 0.000 0.000 0.749 32 L CB -0.301 41.762 42.059 0.005 0.000 0.901 32 L HN 0.031 nan 8.230 nan 0.000 0.433 33 M N -0.676 118.926 119.600 0.002 0.000 2.229 33 M HA -0.180 4.312 4.480 0.019 0.000 0.264 33 M C 1.661 177.961 176.300 0.001 0.000 1.063 33 M CA 1.425 56.727 55.300 0.003 0.000 1.114 33 M CB -0.397 32.210 32.600 0.012 0.000 1.387 33 M HN 0.249 nan 8.290 nan 0.000 0.420 34 D N 0.596 120.996 120.400 0.000 0.000 2.120 34 D HA -0.027 4.624 4.640 0.019 0.000 0.202 34 D C 2.047 178.341 176.300 -0.011 0.000 0.972 34 D CA 1.417 55.416 54.000 -0.001 0.000 0.837 34 D CB -0.243 40.558 40.800 0.001 0.000 0.989 34 D HN 0.284 nan 8.370 nan 0.000 0.469 35 A N 1.414 124.224 122.820 -0.016 0.000 1.883 35 A HA -0.082 4.249 4.320 0.019 0.000 0.217 35 A C 2.186 179.741 177.584 -0.049 0.000 1.186 35 A CA 2.281 54.299 52.037 -0.032 0.000 0.624 35 A CB -0.573 18.408 19.000 -0.031 0.000 0.822 35 A HN 0.254 nan 8.150 nan 0.000 0.444 36 A N -1.235 121.559 122.820 -0.043 0.000 2.275 36 A HA 0.363 4.694 4.320 0.019 0.000 0.212 36 A C 0.536 178.096 177.584 -0.039 0.000 1.201 36 A CA 0.874 52.877 52.037 -0.056 0.000 0.843 36 A CB -0.545 18.426 19.000 -0.048 0.000 0.873 36 A HN 0.754 nan 8.150 nan 0.000 0.492 37 D N -0.935 119.452 120.400 -0.022 0.000 3.400 37 D HA -0.145 4.506 4.640 0.019 0.000 0.226 37 D C -0.764 175.539 176.300 0.004 0.000 1.152 37 D CA 0.797 54.795 54.000 -0.004 0.000 1.008 37 D CB -1.385 39.416 40.800 0.003 0.000 0.866 37 D HN 0.370 nan 8.370 nan 0.000 0.402 38 L N 2.807 124.036 121.223 0.010 0.000 2.431 38 L HA 0.550 4.902 4.340 0.019 0.000 0.266 38 L C -0.063 176.823 176.870 0.027 0.000 0.978 38 L CA -1.120 53.731 54.840 0.019 0.000 0.822 38 L CB 1.707 43.776 42.059 0.015 0.000 1.310 38 L HN 0.196 nan 8.230 nan 0.000 0.409 39 L N 1.777 123.022 121.223 0.036 0.000 2.322 39 L HA 0.395 4.747 4.340 0.019 0.000 0.279 39 L C 0.340 177.241 176.870 0.052 0.000 1.036 39 L CA -0.604 54.259 54.840 0.039 0.000 0.807 39 L CB 1.673 43.754 42.059 0.036 0.000 1.226 39 L HN 0.625 nan 8.230 nan 0.000 0.433 40 E N 2.597 122.828 120.200 0.052 0.000 2.606 40 E HA 0.214 4.575 4.350 0.019 0.000 0.248 40 E C 0.279 176.931 176.600 0.086 0.000 1.005 40 E CA 0.631 57.075 56.400 0.073 0.000 0.946 40 E CB 0.204 29.942 29.700 0.063 0.000 0.928 40 E HN 0.797 nan 8.360 nan 0.000 0.494 41 G N 4.027 112.911 108.800 0.140 0.000 2.929 41 G HA2 -0.201 3.771 3.960 0.019 0.000 0.335 41 G HA3 -0.201 3.771 3.960 0.019 0.000 0.335 41 G C -0.600 174.365 174.900 0.108 0.000 1.054 41 G CA 0.089 45.273 45.100 0.140 0.000 1.067 41 G HN 0.597 nan 8.290 nan 0.000 0.472 42 E N 0.798 121.085 120.200 0.145 0.000 2.451 42 E HA 0.228 4.589 4.350 0.019 0.000 0.295 42 E C -0.108 176.566 176.600 0.124 0.000 0.966 42 E CA -0.676 55.787 56.400 0.105 0.000 0.808 42 E CB 1.073 30.820 29.700 0.078 0.000 1.242 42 E HN 0.539 nan 8.360 nan 0.000 0.412 43 Q N 2.402 122.268 119.800 0.110 0.000 2.247 43 Q HA 0.200 4.551 4.340 0.019 0.000 0.288 43 Q C -1.006 175.057 176.000 0.104 0.000 1.079 43 Q CA 0.280 56.150 55.803 0.112 0.000 0.932 43 Q CB 0.691 29.485 28.738 0.094 0.000 1.133 43 Q HN 0.238 nan 8.270 nan 0.000 0.377 44 V N 3.424 123.390 119.914 0.087 0.000 2.735 44 V HA 0.412 4.543 4.120 0.019 0.000 0.310 44 V C -0.155 175.981 176.094 0.071 0.000 1.061 44 V CA -0.797 61.546 62.300 0.071 0.000 0.913 44 V CB 2.378 34.221 31.823 0.033 0.000 1.005 44 V HN 0.747 nan 8.190 nan 0.000 0.428 45 T N 5.055 119.666 114.554 0.095 0.000 2.859 45 T HA 0.711 5.072 4.350 0.019 0.000 0.281 45 T C -0.471 174.265 174.700 0.059 0.000 1.005 45 T CA -0.194 61.961 62.100 0.092 0.000 1.025 45 T CB 1.034 70.003 68.868 0.168 0.000 0.977 45 T HN 0.393 nan 8.240 nan 0.000 0.458 46 I N 2.893 123.485 120.570 0.038 0.000 2.509 46 I HA 0.576 4.757 4.170 0.019 0.000 0.293 46 I C -0.629 175.503 176.117 0.024 0.000 1.020 46 I CA -1.265 60.048 61.300 0.022 0.000 1.088 46 I CB 2.103 40.102 38.000 -0.003 0.000 1.267 46 I HN 0.355 nan 8.210 nan 0.000 0.430 47 V N 1.227 121.158 119.914 0.027 0.000 2.525 47 V HA 0.486 4.617 4.120 0.019 0.000 0.299 47 V C -0.827 175.278 176.094 0.018 0.000 1.034 47 V CA -0.593 61.724 62.300 0.028 0.000 0.863 47 V CB 1.846 33.695 31.823 0.044 0.000 0.999 47 V HN 0.702 nan 8.190 nan 0.000 0.423 48 D N 3.865 124.270 120.400 0.010 0.000 2.380 48 D HA 0.334 4.986 4.640 0.019 0.000 0.230 48 D C 0.908 177.217 176.300 0.015 0.000 1.154 48 D CA -0.243 53.760 54.000 0.006 0.000 0.859 48 D CB 1.608 42.405 40.800 -0.005 0.000 1.045 48 D HN 0.515 nan 8.370 nan 0.000 0.495 49 I N 3.441 124.019 120.570 0.013 0.000 2.264 49 I HA -0.247 3.935 4.170 0.019 0.000 0.248 49 I C 1.632 177.759 176.117 0.017 0.000 1.111 49 I CA 1.228 62.537 61.300 0.014 0.000 1.382 49 I CB -0.226 37.776 38.000 0.003 0.000 1.060 49 I HN 0.379 nan 8.210 nan 0.000 0.418 50 D N 0.180 120.592 120.400 0.021 0.000 2.183 50 D HA -0.122 4.529 4.640 0.019 0.000 0.203 50 D C 1.029 177.351 176.300 0.036 0.000 0.969 50 D CA 1.173 55.190 54.000 0.028 0.000 0.842 50 D CB -0.252 40.571 40.800 0.038 0.000 0.957 50 D HN 0.560 nan 8.370 nan 0.000 0.484 51 N N -1.820 116.903 118.700 0.038 0.000 2.390 51 N HA 0.162 4.913 4.740 0.019 0.000 0.259 51 N C 0.872 176.401 175.510 0.031 0.000 1.395 51 N CA -0.002 53.073 53.050 0.042 0.000 0.852 51 N CB 0.293 38.821 38.487 0.068 0.000 1.371 51 N HN -0.013 nan 8.380 nan 0.000 0.491 52 G N -0.409 108.406 108.800 0.025 0.000 2.380 52 G HA2 -0.234 3.738 3.960 0.019 0.000 0.298 52 G HA3 -0.234 3.738 3.960 0.019 0.000 0.298 52 G C 0.532 175.442 174.900 0.017 0.000 0.989 52 G CA 0.513 45.626 45.100 0.022 0.000 0.836 52 G HN 0.932 nan 8.290 nan 0.000 0.511 53 A N -0.615 122.211 122.820 0.010 0.000 2.346 53 A HA 0.787 5.118 4.320 0.019 0.000 0.252 53 A C 0.806 178.392 177.584 0.003 0.000 1.089 53 A CA 0.123 52.160 52.037 0.001 0.000 0.797 53 A CB 0.479 19.466 19.000 -0.021 0.000 1.047 53 A HN 0.625 nan 8.150 nan 0.000 0.494 54 R N 0.335 120.836 120.500 0.001 0.000 2.512 54 R HA 0.528 4.880 4.340 0.019 0.000 0.291 54 R C -1.639 174.661 176.300 0.001 0.000 1.097 54 R CA -0.305 55.800 56.100 0.007 0.000 0.940 54 R CB 1.406 31.714 30.300 0.013 0.000 1.198 54 R HN 0.659 nan 8.270 nan 0.000 0.429 55 L N 1.712 122.936 121.223 0.002 0.000 2.309 55 L HA 0.771 5.122 4.340 0.019 0.000 0.261 55 L C -0.655 176.221 176.870 0.010 0.000 1.021 55 L CA -1.434 53.405 54.840 -0.003 0.000 0.823 55 L CB 2.486 44.536 42.059 -0.016 0.000 1.366 55 L HN 0.200 nan 8.230 nan 0.000 0.423 56 V N 0.179 120.099 119.914 0.010 0.000 2.482 56 V HA 0.671 4.802 4.120 0.019 0.000 0.295 56 V C -0.334 175.780 176.094 0.033 0.000 1.026 56 V CA -0.235 62.080 62.300 0.026 0.000 0.856 56 V CB 1.677 33.512 31.823 0.021 0.000 1.001 56 V HN 0.904 nan 8.190 nan 0.000 0.424 57 T N 3.420 117.997 114.554 0.038 0.000 2.762 57 T HA 0.632 4.993 4.350 0.019 0.000 0.301 57 T C -1.226 173.524 174.700 0.083 0.000 1.299 57 T CA -0.442 61.690 62.100 0.054 0.000 1.005 57 T CB 1.519 70.350 68.868 -0.061 0.000 1.377 57 T HN 0.617 nan 8.240 nan 0.000 0.504 58 Y N 0.802 121.107 120.300 0.009 0.000 2.295 58 Y HA 0.828 5.389 4.550 0.019 0.000 0.331 58 Y C 0.024 175.933 175.900 0.015 0.000 1.311 58 Y CA -1.176 56.932 58.100 0.012 0.000 1.430 58 Y CB 0.015 38.478 38.460 0.006 0.000 1.339 58 Y HN 0.755 nan 8.280 nan 0.000 0.552 59 A N 1.820 124.687 122.820 0.078 0.000 2.340 59 A HA 0.769 5.101 4.320 0.019 0.000 0.331 59 A C -1.036 176.578 177.584 0.050 0.000 1.140 59 A CA -0.941 51.087 52.037 -0.014 0.000 0.801 59 A CB 0.531 19.544 19.000 0.021 0.000 1.234 59 A HN 0.756 nan 8.150 nan 0.000 0.469 60 I N 1.506 122.075 120.570 -0.002 0.000 2.466 60 I HA 0.225 4.406 4.170 0.019 0.000 0.289 60 I C -0.160 175.978 176.117 0.035 0.000 1.026 60 I CA -0.471 60.860 61.300 0.051 0.000 1.078 60 I CB 2.314 40.342 38.000 0.047 0.000 1.249 60 I HN 0.627 nan 8.210 nan 0.000 0.429 61 T N 5.008 119.590 114.554 0.047 0.000 2.829 61 T HA 0.244 4.605 4.350 0.019 0.000 0.293 61 T C 0.538 175.256 174.700 0.031 0.000 0.970 61 T CA -0.244 61.877 62.100 0.034 0.000 1.168 61 T CB 0.676 69.565 68.868 0.035 0.000 0.911 61 T HN 0.807 nan 8.240 nan 0.000 0.535 62 G N 1.896 110.710 108.800 0.022 0.000 2.613 62 G HA2 0.498 4.469 3.960 0.019 0.000 0.303 62 G HA3 0.498 4.469 3.960 0.019 0.000 0.303 62 G C -0.550 174.360 174.900 0.017 0.000 1.312 62 G CA -0.760 44.352 45.100 0.020 0.000 1.036 62 G HN 0.711 nan 8.290 nan 0.000 0.513 63 E N -0.453 119.756 120.200 0.014 0.000 2.398 63 E HA 0.153 4.514 4.350 0.019 0.000 0.263 63 E C 0.341 176.947 176.600 0.010 0.000 1.046 63 E CA -0.165 56.241 56.400 0.010 0.000 0.908 63 E CB 0.585 30.289 29.700 0.006 0.000 0.963 63 E HN 0.250 nan 8.360 nan 0.000 0.431 64 R N 1.264 121.770 120.500 0.009 0.000 2.594 64 R HA 0.132 4.483 4.340 0.019 0.000 0.272 64 R C 1.114 177.419 176.300 0.009 0.000 1.074 64 R CA 0.767 56.873 56.100 0.010 0.000 1.105 64 R CB 0.461 30.767 30.300 0.010 0.000 1.008 64 R HN 0.919 nan 8.270 nan 0.000 0.472 65 G N 0.682 109.490 108.800 0.013 0.000 2.343 65 G HA2 -0.423 3.549 3.960 0.019 0.000 0.264 65 G HA3 -0.423 3.549 3.960 0.019 0.000 0.264 65 G C 1.022 175.929 174.900 0.011 0.000 0.989 65 G CA 1.180 46.290 45.100 0.015 0.000 0.627 65 G HN 0.705 nan 8.290 nan 0.000 0.549 66 S N 0.377 116.080 115.700 0.005 0.000 2.500 66 S HA 0.288 4.769 4.470 0.019 0.000 0.239 66 S C 2.286 176.888 174.600 0.003 0.000 0.989 66 S CA 1.227 59.426 58.200 -0.002 0.000 0.951 66 S CB -0.569 62.630 63.200 -0.002 0.000 0.759 66 S HN 2.369 nan 8.310 nan 0.000 0.523 67 G N 0.873 109.683 108.800 0.017 0.000 2.341 67 G HA2 -0.237 3.734 3.960 0.019 0.000 0.292 67 G HA3 -0.237 3.734 3.960 0.019 0.000 0.292 67 G C 0.036 174.949 174.900 0.021 0.000 1.021 67 G CA 0.289 45.407 45.100 0.029 0.000 0.905 67 G HN 0.633 nan 8.290 nan 0.000 0.508 68 V N 0.210 120.132 119.914 0.014 0.000 2.715 68 V HA 0.509 4.640 4.120 0.019 0.000 0.299 68 V C 0.990 177.091 176.094 0.012 0.000 1.054 68 V CA 0.445 62.751 62.300 0.011 0.000 1.077 68 V CB 1.435 33.263 31.823 0.009 0.000 0.972 68 V HN 0.361 nan 8.190 nan 0.000 0.484 69 I N 4.189 124.765 120.570 0.010 0.000 2.678 69 I HA 0.333 4.514 4.170 0.019 0.000 0.269 69 I C 0.346 176.465 176.117 0.004 0.000 1.323 69 I CA -0.076 61.227 61.300 0.006 0.000 0.982 69 I CB 1.191 39.197 38.000 0.010 0.000 1.321 69 I HN 0.725 nan 8.210 nan 0.000 0.519 70 G N 4.543 113.343 108.800 0.000 0.000 2.417 70 G HA2 0.811 4.783 3.960 0.019 0.000 0.334 70 G HA3 0.811 4.783 3.960 0.019 0.000 0.334 70 G C -0.724 174.168 174.900 -0.012 0.000 1.150 70 G CA -0.474 44.627 45.100 0.003 0.000 0.923 70 G HN 0.345 nan 8.290 nan 0.000 0.485 71 I N 1.505 122.072 120.570 -0.005 0.000 2.371 71 I HA 0.173 4.354 4.170 0.019 0.000 0.282 71 I C -0.820 175.299 176.117 0.004 0.000 1.031 71 I CA -0.742 60.547 61.300 -0.020 0.000 1.180 71 I CB 1.294 39.281 38.000 -0.021 0.000 1.336 71 I HN 0.271 nan 8.210 nan 0.000 0.467 72 N N 5.302 123.997 118.700 -0.009 0.000 2.419 72 N HA 0.571 5.322 4.740 0.019 0.000 0.264 72 N C 0.239 175.763 175.510 0.023 0.000 1.031 72 N CA -0.123 52.944 53.050 0.029 0.000 0.951 72 N CB 1.487 40.002 38.487 0.047 0.000 1.101 72 N HN 0.803 nan 8.380 nan 0.000 0.488 73 G N 1.307 110.144 108.800 0.062 0.000 3.116 73 G HA2 0.191 4.162 3.960 0.019 0.000 0.685 73 G HA3 0.191 4.162 3.960 0.019 0.000 0.685 73 G C 0.868 175.795 174.900 0.046 0.000 1.327 73 G CA 0.028 45.162 45.100 0.056 0.000 1.107 73 G HN 1.375 nan 8.290 nan 0.000 0.591 74 A N 1.186 124.053 122.820 0.079 0.000 1.282 74 A HA 0.006 4.337 4.320 0.019 0.000 0.226 74 A C 2.817 180.418 177.584 0.029 0.000 0.465 74 A CA 3.468 55.497 52.037 -0.013 0.000 1.095 74 A CB -1.759 17.203 19.000 -0.064 0.000 1.470 74 A HN 2.890 nan 8.150 nan 0.000 0.723 75 A N -0.369 122.459 122.820 0.014 0.000 2.225 75 A HA 0.376 4.707 4.320 0.019 0.000 0.215 75 A C 2.351 179.954 177.584 0.031 0.000 1.164 75 A CA 1.799 53.835 52.037 -0.001 0.000 0.710 75 A CB -1.062 17.919 19.000 -0.031 0.000 0.780 75 A HN 2.245 nan 8.150 nan 0.000 0.473 76 A N -0.664 122.229 122.820 0.121 0.000 2.070 76 A HA -0.037 4.294 4.320 0.019 0.000 0.220 76 A C 1.285 178.943 177.584 0.124 0.000 1.159 76 A CA 0.711 52.821 52.037 0.121 0.000 0.656 76 A CB -0.567 18.526 19.000 0.156 0.000 0.800 76 A HN 0.756 nan 8.150 nan 0.000 0.453 77 H N -2.458 116.609 119.070 -0.006 0.000 2.417 77 H HA 0.435 4.997 4.556 0.011 0.000 0.325 77 H C 1.199 176.428 175.328 -0.165 0.000 1.549 77 H CA -0.519 55.550 56.048 0.034 0.000 1.476 77 H CB 0.335 30.126 29.762 0.049 0.000 1.732 77 H HN 0.103 nan 8.280 nan 0.000 0.695 78 L N -1.602 119.632 121.223 0.019 0.000 3.437 78 L HA -0.345 4.006 4.340 0.019 0.000 0.069 78 L C 0.163 176.815 176.870 -0.365 0.000 4.438 78 L CA 1.633 56.412 54.840 -0.103 0.000 0.479 78 L CB -1.485 40.546 42.059 -0.047 0.000 3.549 78 L HN 0.269 nan 8.230 nan 0.000 0.729 79 V N 0.306 119.967 119.914 -0.421 0.000 2.435 79 V HA 0.531 4.662 4.120 0.019 0.000 0.290 79 V C -0.087 175.671 176.094 -0.559 0.000 1.030 79 V CA -0.627 61.437 62.300 -0.393 0.000 0.881 79 V CB 1.414 33.142 31.823 -0.158 0.000 0.983 79 V HN 0.215 nan 8.190 nan 0.000 0.445 80 H N 3.101 122.183 119.070 0.019 0.000 2.855 80 H HA 0.517 5.080 4.556 0.013 0.000 0.363 80 H C -2.684 172.650 175.328 0.009 0.000 1.185 80 H CA -2.313 53.742 56.048 0.012 0.000 1.174 80 H CB 2.076 31.842 29.762 0.006 0.000 1.857 80 H HN 0.333 nan 8.280 nan 0.000 0.565 81 P HA 0.067 nan 4.420 nan 0.000 0.270 81 P C 0.820 178.163 177.300 0.072 0.000 1.223 81 P CA 1.164 64.311 63.100 0.078 0.000 0.785 81 P CB 0.360 32.095 31.700 0.059 0.000 0.923 82 G N 0.274 109.104 108.800 0.049 0.000 2.168 82 G HA2 -0.210 3.761 3.960 0.019 0.000 0.263 82 G HA3 -0.210 3.761 3.960 0.019 0.000 0.263 82 G C -0.365 174.560 174.900 0.042 0.000 0.977 82 G CA -0.023 45.102 45.100 0.042 0.000 0.659 82 G HN 0.517 nan 8.290 nan 0.000 0.533 83 D N 0.071 120.499 120.400 0.047 0.000 2.177 83 D HA 0.561 5.213 4.640 0.019 0.000 0.247 83 D C 0.722 177.032 176.300 0.017 0.000 1.063 83 D CA -0.329 53.694 54.000 0.039 0.000 0.867 83 D CB 1.154 41.983 40.800 0.047 0.000 1.168 83 D HN 0.215 nan 8.370 nan 0.000 0.445 84 L N 2.561 123.788 121.223 0.006 0.000 2.278 84 L HA 0.393 4.745 4.340 0.019 0.000 0.287 84 L C 0.208 177.071 176.870 -0.012 0.000 1.072 84 L CA -0.651 54.181 54.840 -0.013 0.000 0.819 84 L CB 0.395 42.437 42.059 -0.029 0.000 1.176 84 L HN 0.202 nan 8.230 nan 0.000 0.435 85 V N 1.546 121.453 119.914 -0.013 0.000 3.181 85 V HA 0.671 4.802 4.120 0.019 0.000 0.314 85 V C -0.372 175.721 176.094 -0.001 0.000 1.173 85 V CA -0.917 61.380 62.300 -0.004 0.000 1.052 85 V CB 2.463 34.284 31.823 -0.003 0.000 1.123 85 V HN 0.514 nan 8.190 nan 0.000 0.454 86 I N 0.917 121.500 120.570 0.021 0.000 2.582 86 I HA 0.515 4.696 4.170 0.019 0.000 0.292 86 I C -1.067 175.073 176.117 0.038 0.000 1.066 86 I CA -0.525 60.803 61.300 0.046 0.000 1.053 86 I CB 2.108 40.160 38.000 0.086 0.000 1.241 86 I HN 0.453 nan 8.210 nan 0.000 0.421 87 L N 6.535 127.778 121.223 0.034 0.000 2.307 87 L HA 0.667 5.018 4.340 0.019 0.000 0.284 87 L C -0.661 176.214 176.870 0.009 0.000 1.023 87 L CA -0.538 54.315 54.840 0.021 0.000 0.810 87 L CB 1.525 43.590 42.059 0.010 0.000 1.231 87 L HN 0.421 nan 8.230 nan 0.000 0.423 88 I N 2.155 122.733 120.570 0.015 0.000 2.686 88 I HA 0.720 4.902 4.170 0.019 0.000 0.295 88 I C -0.517 175.591 176.117 -0.016 0.000 1.114 88 I CA -0.671 60.603 61.300 -0.043 0.000 1.038 88 I CB 2.335 40.311 38.000 -0.040 0.000 1.238 88 I HN 0.659 nan 8.210 nan 0.000 0.420 89 A N 4.879 127.632 122.820 -0.112 0.000 2.353 89 A HA 0.764 5.095 4.320 0.019 0.000 0.299 89 A C -1.399 176.120 177.584 -0.109 0.000 1.089 89 A CA -0.363 51.670 52.037 -0.007 0.000 0.736 89 A CB 0.685 19.691 19.000 0.009 0.000 1.195 89 A HN 0.585 nan 8.150 nan 0.000 0.447 90 Y N 1.240 121.557 120.300 0.028 0.000 2.707 90 Y HA 0.754 5.315 4.550 0.018 0.000 0.409 90 Y C 0.976 176.907 175.900 0.052 0.000 1.343 90 Y CA -0.113 58.009 58.100 0.036 0.000 1.663 90 Y CB 0.684 39.162 38.460 0.031 0.000 1.678 90 Y HN 1.242 nan 8.280 nan 0.000 0.687 91 A N -0.218 122.755 122.820 0.254 0.000 2.068 91 A HA 0.382 4.713 4.320 0.019 0.000 0.274 91 A C -0.523 177.139 177.584 0.129 0.000 0.977 91 A CA -0.474 51.656 52.037 0.155 0.000 0.824 91 A CB -0.815 18.268 19.000 0.139 0.000 0.867 91 A HN 0.790 nan 8.150 nan 0.000 0.338 92 T N 0.942 115.548 114.554 0.086 0.000 2.919 92 T HA 0.692 5.053 4.350 0.019 0.000 0.302 92 T C 0.297 175.020 174.700 0.039 0.000 1.031 92 T CA 0.100 62.236 62.100 0.059 0.000 1.127 92 T CB 0.129 69.018 68.868 0.035 0.000 0.952 92 T HN 0.785 nan 8.240 nan 0.000 0.540 93 M N 1.587 121.204 119.600 0.029 0.000 2.622 93 M HA 0.354 4.845 4.480 0.019 0.000 0.276 93 M C -1.016 175.282 176.300 -0.005 0.000 1.265 93 M CA -1.034 54.265 55.300 -0.002 0.000 0.850 93 M CB 2.241 34.830 32.600 -0.018 0.000 1.720 93 M HN 0.667 nan 8.290 nan 0.000 0.465 94 D N 0.829 121.216 120.400 -0.022 0.000 2.424 94 D HA 0.015 4.666 4.640 0.019 0.000 0.244 94 D C 0.634 176.927 176.300 -0.011 0.000 1.134 94 D CA 0.554 54.544 54.000 -0.016 0.000 0.881 94 D CB 0.894 41.679 40.800 -0.025 0.000 1.191 94 D HN 0.655 nan 8.370 nan 0.000 0.445 95 D N 2.679 123.078 120.400 -0.002 0.000 2.332 95 D HA -0.244 4.408 4.640 0.019 0.000 0.209 95 D C 1.487 177.788 176.300 0.002 0.000 0.988 95 D CA 1.696 55.699 54.000 0.005 0.000 0.912 95 D CB 0.119 40.922 40.800 0.006 0.000 0.899 95 D HN 0.430 nan 8.370 nan 0.000 0.477 96 A N 0.384 123.198 122.820 -0.009 0.000 1.835 96 A HA -0.118 4.213 4.320 0.019 0.000 0.213 96 A C 2.180 179.751 177.584 -0.022 0.000 1.210 96 A CA 1.159 53.188 52.037 -0.013 0.000 0.605 96 A CB -0.310 18.678 19.000 -0.020 0.000 0.860 96 A HN 0.128 nan 8.150 nan 0.000 0.447 97 R N 0.437 120.907 120.500 -0.050 0.000 2.103 97 R HA -0.148 4.203 4.340 0.019 0.000 0.242 97 R C 2.285 178.557 176.300 -0.046 0.000 1.142 97 R CA 1.538 57.578 56.100 -0.099 0.000 0.960 97 R CB -1.717 28.477 30.300 -0.177 0.000 0.858 97 R HN 0.500 nan 8.270 nan 0.000 0.439 98 A N 2.432 125.249 122.820 -0.005 0.000 1.896 98 A HA -0.281 4.050 4.320 0.019 0.000 0.220 98 A C 2.378 180.007 177.584 0.075 0.000 1.206 98 A CA 2.177 54.246 52.037 0.053 0.000 0.647 98 A CB -0.558 18.467 19.000 0.041 0.000 0.828 98 A HN 0.352 nan 8.150 nan 0.000 0.455 99 R N -0.381 120.146 120.500 0.046 0.000 2.103 99 R HA -0.097 4.254 4.340 0.019 0.000 0.234 99 R C 0.760 177.099 176.300 0.065 0.000 1.132 99 R CA 1.602 57.730 56.100 0.046 0.000 0.925 99 R CB -1.329 28.987 30.300 0.027 0.000 0.842 99 R HN 0.660 nan 8.270 nan 0.000 0.430 100 T N -1.532 113.059 114.554 0.063 0.000 2.762 100 T HA 0.454 4.816 4.350 0.019 0.000 0.303 100 T C -0.644 174.155 174.700 0.164 0.000 0.977 100 T CA -0.581 61.569 62.100 0.083 0.000 0.961 100 T CB 0.459 69.356 68.868 0.048 0.000 0.944 100 T HN 0.343 nan 8.240 nan 0.000 0.481 101 Y N 1.494 121.790 120.300 -0.008 0.000 2.424 101 Y HA 0.246 4.808 4.550 0.019 0.000 0.323 101 Y C -1.364 174.525 175.900 -0.018 0.000 1.174 101 Y CA -1.113 56.980 58.100 -0.012 0.000 1.060 101 Y CB 1.632 40.086 38.460 -0.011 0.000 1.314 101 Y HN 0.561 nan 8.280 nan 0.000 0.439 102 Q N 7.319 127.098 119.800 -0.035 0.000 2.398 102 Q HA 0.324 4.675 4.340 0.019 0.000 0.251 102 Q C -2.560 173.121 176.000 -0.533 0.000 0.999 102 Q CA -2.021 53.649 55.803 -0.222 0.000 0.874 102 Q CB 1.525 30.216 28.738 -0.078 0.000 1.215 102 Q HN 0.335 nan 8.270 nan 0.000 0.470 103 P HA 0.045 nan 4.420 nan 0.000 0.271 103 P C -0.583 176.521 177.300 -0.327 0.000 1.220 103 P CA -0.248 62.541 63.100 -0.519 0.000 0.768 103 P CB 0.574 32.052 31.700 -0.370 0.000 0.848 104 R N 3.891 124.226 120.500 -0.277 0.000 2.606 104 R HA 0.155 4.506 4.340 0.019 0.000 0.276 104 R C 0.089 176.265 176.300 -0.207 0.000 1.416 104 R CA 0.127 56.109 56.100 -0.196 0.000 1.064 104 R CB -0.786 29.436 30.300 -0.130 0.000 1.117 104 R HN 0.549 nan 8.270 nan 0.000 0.543 105 I N 2.504 122.919 120.570 -0.260 0.000 2.365 105 I HA 0.145 4.326 4.170 0.019 0.000 0.291 105 I C 0.193 176.049 176.117 -0.434 0.000 1.004 105 I CA -0.651 60.462 61.300 -0.313 0.000 1.311 105 I CB 1.731 39.522 38.000 -0.347 0.000 1.401 105 I HN 0.000 nan 8.210 nan 0.000 0.491 106 V N 7.460 127.183 119.914 -0.318 0.000 2.349 106 V HA 0.343 4.475 4.120 0.019 0.000 0.284 106 V C -0.094 175.920 176.094 -0.133 0.000 1.014 106 V CA -0.541 61.592 62.300 -0.279 0.000 0.826 106 V CB 0.727 32.480 31.823 -0.118 0.000 1.009 106 V HN 0.414 nan 8.190 nan 0.000 0.431 107 F N 3.556 123.537 119.950 0.050 0.000 2.410 107 F HA 0.579 5.117 4.527 0.018 0.000 0.334 107 F C 0.449 176.272 175.800 0.040 0.000 1.134 107 F CA -0.395 57.658 58.000 0.088 0.000 1.227 107 F CB 1.250 40.294 39.000 0.073 0.000 1.194 107 F HN 0.282 nan 8.300 nan 0.000 0.571 108 V N 1.249 121.289 119.914 0.209 0.000 3.130 108 V HA 0.240 4.371 4.120 0.019 0.000 0.310 108 V C -0.901 175.222 176.094 0.048 0.000 1.158 108 V CA -0.733 61.626 62.300 0.097 0.000 1.029 108 V CB 2.217 34.076 31.823 0.060 0.000 1.057 108 V HN 0.788 nan 8.190 nan 0.000 0.436 109 D N 2.020 122.436 120.400 0.027 0.000 2.344 109 D HA 0.311 4.962 4.640 0.019 0.000 0.244 109 D C 0.904 177.173 176.300 -0.051 0.000 1.134 109 D CA 0.388 54.373 54.000 -0.025 0.000 0.930 109 D CB 2.227 43.021 40.800 -0.009 0.000 1.175 109 D HN 0.709 nan 8.370 nan 0.000 0.437 110 A N 2.849 125.566 122.820 -0.170 0.000 2.225 110 A HA -0.162 4.170 4.320 0.019 0.000 0.215 110 A C 1.163 178.761 177.584 0.024 0.000 1.164 110 A CA 1.013 52.952 52.037 -0.164 0.000 0.710 110 A CB -0.513 18.291 19.000 -0.327 0.000 0.780 110 A HN 0.691 nan 8.150 nan 0.000 0.473 111 Y N -1.102 119.199 120.300 0.002 0.000 2.557 111 Y HA 0.141 4.701 4.550 0.018 0.000 0.247 111 Y C -0.057 175.845 175.900 0.004 0.000 1.164 111 Y CA -0.732 57.370 58.100 0.003 0.000 1.218 111 Y CB 0.505 38.967 38.460 0.004 0.000 1.210 111 Y HN 0.277 nan 8.280 nan 0.000 0.529 112 N N 2.086 120.868 118.700 0.136 0.000 2.469 112 N HA -0.161 4.591 4.740 0.019 0.000 0.283 112 N C -0.274 175.281 175.510 0.075 0.000 1.326 112 N CA 0.861 53.960 53.050 0.082 0.000 0.646 112 N CB -0.748 37.779 38.487 0.067 0.000 0.894 112 N HN 0.577 nan 8.380 nan 0.000 0.533 113 K N -0.557 119.880 120.400 0.062 0.000 3.010 113 K HA 0.420 4.751 4.320 0.019 0.000 0.205 113 K C -2.071 174.554 176.600 0.041 0.000 1.704 113 K CA 0.963 57.282 56.287 0.053 0.000 1.297 113 K CB 0.944 33.483 32.500 0.065 0.000 2.032 113 K HN 0.483 nan 8.250 nan 0.000 0.573 114 P HA 0.000 nan 4.420 nan 0.000 0.216 114 P CA 0.000 nan 63.100 nan 0.000 0.800 114 P CB 0.000 nan 31.700 nan 0.000 0.726