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 1b88_1_A DATA FIRST_RESID 1 DATA SEQUENCE MQQVRQSPQS LTVWEGETAI LNcSYENSAF DYFPWYQQFP GEGPALLISI DATA SEQUENCE LSVSNKKEDG RFTIFFNKRE KKLSLHIADS QPGDSATYFc AASASFGDNS DATA SEQUENCE KLIWGLGTSL VVNP 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 0.000 176.333 176.300 0.054 0.000 1.140 1 M CA 0.000 55.318 55.300 0.031 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 Q N 3.433 123.271 119.800 0.064 0.000 2.296 2 Q HA 0.071 nan 4.340 nan 0.000 0.263 2 Q C 0.016 176.099 176.000 0.139 0.000 1.026 2 Q CA -0.060 55.797 55.803 0.090 0.000 0.912 2 Q CB 0.632 29.419 28.738 0.081 0.000 1.198 2 Q HN 0.423 8.724 8.270 0.052 0.000 0.407 3 Q N 5.017 124.919 119.800 0.169 0.000 1.935 3 Q HA -0.315 nan 4.340 nan 0.000 0.212 3 Q C -0.504 175.707 176.000 0.353 0.000 1.008 3 Q CA 2.554 58.523 55.803 0.276 0.000 0.868 3 Q CB 0.324 29.217 28.738 0.258 0.000 0.946 3 Q HN 0.589 8.943 8.270 0.140 0.000 0.418 4 V N -3.431 116.632 119.914 0.248 0.000 2.569 4 V HA 0.400 nan 4.120 nan 0.000 0.301 4 V C -1.683 174.502 176.094 0.152 0.000 1.044 4 V CA -1.184 61.248 62.300 0.220 0.000 0.874 4 V CB 1.512 33.408 31.823 0.121 0.000 1.002 4 V HN -0.367 7.941 8.190 0.195 0.000 0.424 5 R N 7.265 127.853 120.500 0.146 0.000 2.437 5 R HA 0.428 nan 4.340 nan 0.000 0.310 5 R C -1.659 174.704 176.300 0.103 0.000 0.955 5 R CA -1.393 54.773 56.100 0.110 0.000 0.851 5 R CB 3.164 33.522 30.300 0.096 0.000 1.161 5 R HN 0.975 9.236 8.270 0.175 0.114 0.446 6 Q N 5.760 125.612 119.800 0.086 0.000 2.293 6 Q HA 0.383 nan 4.340 nan 0.000 0.261 6 Q C -1.052 174.993 176.000 0.076 0.000 0.960 6 Q CA -0.777 55.080 55.803 0.091 0.000 0.882 6 Q CB 2.795 31.574 28.738 0.069 0.000 1.275 6 Q HN 0.424 8.743 8.270 0.081 0.000 0.445 7 S N 4.910 120.659 115.700 0.083 0.000 2.541 7 S HA 0.552 nan 4.470 nan 0.000 0.280 7 S C -2.628 171.996 174.600 0.039 0.000 1.112 7 S CA -2.598 55.632 58.200 0.050 0.000 0.925 7 S CB 1.411 64.635 63.200 0.040 0.000 1.067 7 S HN 0.341 8.610 8.310 0.112 0.108 0.479 8 P HA 0.261 nan 4.420 nan 0.000 0.297 8 P C -0.075 177.231 177.300 0.010 0.000 1.303 8 P CA -0.386 62.716 63.100 0.003 0.000 0.753 8 P CB 1.533 33.222 31.700 -0.019 0.000 1.281 9 Q N -2.786 117.016 119.800 0.003 0.000 2.204 9 Q HA 0.101 nan 4.340 nan 0.000 0.198 9 Q C 0.433 176.431 176.000 -0.004 0.000 0.946 9 Q CA 1.964 57.769 55.803 0.003 0.000 0.859 9 Q CB 0.424 29.166 28.738 0.007 0.000 0.946 9 Q HN 0.512 8.781 8.270 -0.002 0.000 0.474 10 S N -3.870 111.824 115.700 -0.009 0.000 2.579 10 S HA 0.669 nan 4.470 nan 0.000 0.272 10 S C -1.604 172.980 174.600 -0.027 0.000 1.141 10 S CA -0.652 57.541 58.200 -0.011 0.000 0.843 10 S CB 3.207 66.402 63.200 -0.008 0.000 1.122 10 S HN -0.488 7.815 8.310 -0.012 0.000 0.468 11 L N 1.532 122.737 121.223 -0.031 0.000 2.251 11 L HA 0.521 nan 4.340 nan 0.000 0.244 11 L C -1.977 174.856 176.870 -0.062 0.000 1.095 11 L CA -0.311 54.495 54.840 -0.058 0.000 0.910 11 L CB 4.300 46.316 42.059 -0.071 0.000 1.516 11 L HN 0.228 8.448 8.230 -0.016 0.000 0.429 12 T N 1.119 115.614 114.554 -0.098 0.000 3.767 12 T HA 0.266 nan 4.350 nan 0.000 0.360 12 T C -2.558 172.032 174.700 -0.185 0.000 1.181 12 T CA -0.088 61.938 62.100 -0.123 0.000 1.110 12 T CB 2.483 71.262 68.868 -0.148 0.000 1.201 12 T HN -0.195 7.977 8.240 -0.114 0.000 0.474 13 V N 3.102 122.924 119.914 -0.154 0.000 3.007 13 V HA 0.618 nan 4.120 nan 0.000 0.311 13 V C -1.931 174.132 176.094 -0.051 0.000 1.120 13 V CA -2.285 59.919 62.300 -0.159 0.000 0.980 13 V CB 4.679 36.449 31.823 -0.090 0.000 1.033 13 V HN 0.689 8.824 8.190 -0.092 0.000 0.429 14 W N 2.484 123.771 121.300 -0.022 0.000 2.126 14 W HA 0.075 nan 4.660 nan 0.000 0.346 14 W C -0.474 176.035 176.519 -0.016 0.000 1.279 14 W CA -1.204 56.132 57.345 -0.015 0.000 1.259 14 W CB 1.256 30.707 29.460 -0.016 0.000 1.133 14 W HN 0.152 8.631 8.180 -0.020 -0.310 0.592 15 E N 1.610 122.000 120.200 0.315 0.000 2.437 15 E HA -0.469 nan 4.350 nan 0.000 0.263 15 E C 1.019 177.680 176.600 0.101 0.000 1.030 15 E CA 1.489 57.976 56.400 0.145 0.000 0.934 15 E CB 0.157 29.908 29.700 0.086 0.000 0.943 15 E HN -0.040 8.554 8.360 0.391 0.000 0.444 16 G N 4.981 113.814 108.800 0.055 0.000 2.189 16 G HA2 -0.555 nan 3.960 nan 0.000 0.267 16 G HA3 -0.555 nan 3.960 nan 0.000 0.267 16 G C -0.703 174.215 174.900 0.031 0.000 0.975 16 G CA 0.140 45.258 45.100 0.029 0.000 0.644 16 G HN 0.374 8.597 8.290 0.048 0.096 0.537 17 E N 0.872 121.105 120.200 0.055 0.000 2.343 17 E HA 0.104 nan 4.350 nan 0.000 0.269 17 E C -0.510 176.075 176.600 -0.025 0.000 1.047 17 E CA -0.331 56.091 56.400 0.036 0.000 0.874 17 E CB 1.814 31.554 29.700 0.068 0.000 1.033 17 E HN -0.410 7.912 8.360 0.086 0.089 0.409 18 T N 4.665 119.193 114.554 -0.043 0.000 2.728 18 T HA 0.088 nan 4.350 nan 0.000 0.296 18 T C -1.066 173.557 174.700 -0.129 0.000 0.940 18 T CA -0.046 62.006 62.100 -0.080 0.000 1.013 18 T CB 0.037 68.876 68.868 -0.050 0.000 0.912 18 T HN 0.204 8.427 8.240 -0.028 0.000 0.484 19 A N 7.483 130.196 122.820 -0.178 0.000 2.305 19 A HA 0.543 nan 4.320 nan 0.000 0.322 19 A C -1.938 175.451 177.584 -0.325 0.000 1.187 19 A CA -1.733 50.169 52.037 -0.225 0.000 0.825 19 A CB 2.173 21.040 19.000 -0.222 0.000 1.164 19 A HN 0.051 8.092 8.150 -0.182 0.000 0.498 20 I N 1.530 121.891 120.570 -0.348 0.000 2.410 20 I HA 0.366 nan 4.170 nan 0.000 0.286 20 I C -1.162 174.793 176.117 -0.270 0.000 1.009 20 I CA -1.118 59.902 61.300 -0.466 0.000 1.111 20 I CB 1.231 38.872 38.000 -0.599 0.000 1.262 20 I HN 0.233 8.280 8.210 -0.272 0.000 0.443 21 L N 7.821 128.908 121.223 -0.227 0.000 2.298 21 L HA 0.366 nan 4.340 nan 0.000 0.284 21 L C -1.415 175.487 176.870 0.053 0.000 1.013 21 L CA -1.093 53.704 54.840 -0.072 0.000 0.824 21 L CB 0.533 42.556 42.059 -0.060 0.000 1.221 21 L HN 0.648 8.703 8.230 -0.292 0.000 0.418 22 N N 3.196 121.963 118.700 0.111 0.000 2.495 22 N HA 0.604 nan 4.740 nan 0.000 0.280 22 N C -1.773 173.917 175.510 0.298 0.000 1.168 22 N CA -0.422 52.741 53.050 0.189 0.000 0.978 22 N CB 2.626 41.172 38.487 0.099 0.000 1.191 22 N HN 0.365 8.785 8.380 0.067 0.000 0.497 23 c N 1.046 119.839 118.600 0.322 0.000 2.888 23 c HA 0.623 nan 4.570 nan 0.000 0.308 23 c C -2.238 171.996 174.090 0.240 0.000 1.213 23 c CA -1.338 55.154 56.329 0.271 0.000 1.461 23 c CB 2.834 45.522 42.510 0.297 0.000 1.934 23 c HN 0.729 9.140 8.230 0.302 0.000 0.474 24 S N 4.113 119.940 115.700 0.213 0.000 2.614 24 S HA 0.801 nan 4.470 nan 0.000 0.288 24 S C -2.197 172.582 174.600 0.299 0.000 1.137 24 S CA -0.754 57.570 58.200 0.206 0.000 0.992 24 S CB 2.809 66.077 63.200 0.114 0.000 1.026 24 S HN 0.777 9.103 8.310 0.187 0.096 0.486 25 Y N 2.171 122.611 120.300 0.234 0.000 2.393 25 Y HA 0.456 nan 4.550 nan 0.000 0.341 25 Y C -1.403 174.653 175.900 0.259 0.000 0.988 25 Y CA -2.544 55.767 58.100 0.352 0.000 1.078 25 Y CB 2.042 40.888 38.460 0.644 0.000 1.203 25 Y HN 0.285 8.709 8.280 0.239 0.000 0.453 26 E N 3.010 123.354 120.200 0.239 0.000 2.250 26 E HA -0.042 nan 4.350 nan 0.000 0.192 26 E C -0.721 175.861 176.600 -0.030 0.000 0.986 26 E CA 0.092 56.513 56.400 0.034 0.000 0.849 26 E CB 0.985 30.718 29.700 0.054 0.000 0.797 26 E HN 0.234 8.828 8.360 0.389 0.000 0.482 27 N N -0.597 118.069 118.700 -0.057 0.000 2.406 27 N HA 0.101 nan 4.740 nan 0.000 0.251 27 N C 1.074 176.564 175.510 -0.034 0.000 1.069 27 N CA -1.126 51.717 53.050 -0.345 0.000 0.947 27 N CB 0.063 37.885 38.487 -1.109 0.000 1.111 27 N HN -0.520 7.915 8.380 0.092 0.000 0.497 28 S N 7.586 123.321 115.700 0.059 0.000 2.419 28 S HA -0.291 nan 4.470 nan 0.000 0.235 28 S C 1.413 176.171 174.600 0.264 0.000 1.019 28 S CA 2.807 61.154 58.200 0.244 0.000 0.982 28 S CB -0.142 63.122 63.200 0.107 0.000 0.789 28 S HN 0.564 8.857 8.310 -0.029 0.000 0.490 29 A N 1.215 124.076 122.820 0.070 0.000 2.172 29 A HA -0.129 nan 4.320 nan 0.000 0.216 29 A C 0.035 177.741 177.584 0.204 0.000 1.154 29 A CA 1.141 53.231 52.037 0.088 0.000 0.701 29 A CB -0.250 18.753 19.000 0.005 0.000 0.789 29 A HN -0.135 8.278 8.150 -0.056 -0.296 0.465 30 F N -1.355 118.666 119.950 0.119 0.000 2.519 30 F HA -0.236 nan 4.527 nan 0.000 0.375 30 F C -0.835 174.846 175.800 -0.198 0.000 1.084 30 F CA -0.590 57.314 58.000 -0.160 0.000 1.147 30 F CB -0.785 38.013 39.000 -0.337 0.000 1.088 30 F HN -0.634 7.619 8.300 0.216 0.177 0.555 31 D N 1.024 121.399 120.400 -0.042 0.000 2.469 31 D HA 0.104 nan 4.640 nan 0.000 0.213 31 D C -1.395 174.847 176.300 -0.096 0.000 1.135 31 D CA 0.694 54.714 54.000 0.033 0.000 0.834 31 D CB 2.459 43.335 40.800 0.125 0.000 1.009 31 D HN -0.048 8.314 8.370 -0.013 0.000 0.507 32 Y N 1.100 121.016 120.300 -0.640 0.000 2.327 32 Y HA 0.327 nan 4.550 nan 0.000 0.325 32 Y C -2.860 172.488 175.900 -0.921 0.000 0.999 32 Y CA -1.263 56.508 58.100 -0.548 0.000 1.195 32 Y CB 2.078 40.365 38.460 -0.287 0.000 1.132 32 Y HN -0.375 7.505 8.280 -0.666 0.000 0.455 33 F N 6.524 125.991 119.950 -0.805 0.000 2.359 33 F HA 0.547 nan 4.527 nan 0.000 0.369 33 F C -2.434 172.879 175.800 -0.812 0.000 1.084 33 F CA -3.259 54.260 58.000 -0.802 0.000 1.096 33 F CB 0.922 39.559 39.000 -0.605 0.000 1.335 33 F HN 0.791 8.840 8.300 -0.419 0.000 0.457 34 P HA 0.620 nan 4.420 nan 0.000 0.293 34 P C -2.135 174.855 177.300 -0.517 0.000 1.291 34 P CA -1.101 61.601 63.100 -0.665 0.000 0.867 34 P CB 1.238 32.488 31.700 -0.749 0.000 1.074 35 W N -0.920 120.128 121.300 -0.420 0.000 2.656 35 W HA 0.428 nan 4.660 nan 0.000 0.327 35 W C -1.014 175.302 176.519 -0.337 0.000 1.041 35 W CA -0.897 56.313 57.345 -0.226 0.000 1.229 35 W CB 3.333 32.735 29.460 -0.098 0.000 1.397 35 W HN 0.838 8.823 8.180 -0.164 0.096 0.479 36 Y N 1.140 121.510 120.300 0.116 0.000 2.528 36 Y HA 0.439 nan 4.550 nan 0.000 0.335 36 Y C -1.211 174.771 175.900 0.136 0.000 1.093 36 Y CA -1.550 56.615 58.100 0.108 0.000 1.134 36 Y CB 3.684 42.205 38.460 0.102 0.000 1.253 36 Y HN 0.865 9.261 8.280 0.375 0.109 0.478 37 Q N 1.026 120.892 119.800 0.109 0.000 2.363 37 Q HA 0.416 nan 4.340 nan 0.000 0.265 37 Q C -1.806 174.045 176.000 -0.249 0.000 1.032 37 Q CA -1.539 54.084 55.803 -0.300 0.000 0.746 37 Q CB 2.573 31.077 28.738 -0.390 0.000 1.237 37 Q HN 0.656 8.906 8.270 0.148 0.108 0.475 38 Q N 8.385 128.051 119.800 -0.224 0.000 2.271 38 Q HA 0.399 nan 4.340 nan 0.000 0.258 38 Q C -2.329 173.520 176.000 -0.251 0.000 0.936 38 Q CA -1.414 54.359 55.803 -0.049 0.000 0.909 38 Q CB 2.605 31.533 28.738 0.316 0.000 1.253 38 Q HN 0.742 8.836 8.270 -0.293 0.000 0.440 39 F N 5.460 125.441 119.950 0.051 0.000 2.432 39 F HA 0.345 nan 4.527 nan 0.000 0.329 39 F C -0.646 175.183 175.800 0.048 0.000 1.076 39 F CA -2.569 55.452 58.000 0.035 0.000 1.018 39 F CB -0.530 38.488 39.000 0.030 0.000 1.201 39 F HN 0.349 8.747 8.300 0.164 0.000 0.489 40 P HA -0.283 nan 4.420 nan 0.000 0.225 40 P C -0.597 176.775 177.300 0.121 0.000 1.155 40 P CA 2.619 65.819 63.100 0.165 0.000 0.863 40 P CB -0.119 31.669 31.700 0.145 0.000 0.774 41 G N -7.678 101.197 108.800 0.125 0.000 4.517 41 G HA2 0.063 nan 3.960 nan 0.000 0.258 41 G HA3 0.063 nan 3.960 nan 0.000 0.258 41 G C -1.150 173.798 174.900 0.079 0.000 1.038 41 G CA -0.074 45.075 45.100 0.082 0.000 0.810 41 G HN -0.367 7.964 8.290 0.164 0.057 0.383 42 E N 0.346 120.616 120.200 0.118 0.000 2.803 42 E HA 0.275 nan 4.350 nan 0.000 0.250 42 E C -0.890 175.760 176.600 0.083 0.000 1.102 42 E CA -1.133 55.331 56.400 0.108 0.000 1.017 42 E CB 1.972 31.772 29.700 0.167 0.000 1.346 42 E HN -0.091 8.257 8.360 0.160 0.108 0.532 43 G N -0.612 108.232 108.800 0.074 0.000 2.417 43 G HA2 0.175 nan 3.960 nan 0.000 0.334 43 G HA3 0.175 nan 3.960 nan 0.000 0.334 43 G C -2.535 172.412 174.900 0.078 0.000 1.150 43 G CA -1.646 43.472 45.100 0.029 0.000 0.923 43 G HN -0.066 8.278 8.290 0.090 0.000 0.485 44 P HA -0.132 nan 4.420 nan 0.000 0.267 44 P C -1.890 175.614 177.300 0.341 0.000 1.209 44 P CA 0.046 63.263 63.100 0.195 0.000 0.763 44 P CB 0.536 32.310 31.700 0.123 0.000 0.816 45 A N 5.527 128.546 122.820 0.331 0.000 2.288 45 A HA 0.300 nan 4.320 nan 0.000 0.320 45 A C -1.012 176.670 177.584 0.163 0.000 1.217 45 A CA -1.740 50.458 52.037 0.268 0.000 0.840 45 A CB 2.125 21.213 19.000 0.146 0.000 1.179 45 A HN 0.047 8.338 8.150 0.235 0.000 0.504 46 L N 4.479 125.682 121.223 -0.032 0.000 2.654 46 L HA -0.173 nan 4.340 nan 0.000 0.271 46 L C -0.480 176.208 176.870 -0.304 0.000 1.169 46 L CA 0.829 55.320 54.840 -0.581 0.000 0.947 46 L CB -0.072 41.701 42.059 -0.476 0.000 1.232 46 L HN 0.372 8.688 8.230 0.144 0.000 0.486 47 L N 9.007 130.046 121.223 -0.307 0.000 2.202 47 L HA 0.198 nan 4.340 nan 0.000 0.205 47 L C -0.684 175.999 176.870 -0.311 0.000 1.083 47 L CA 1.357 56.040 54.840 -0.262 0.000 0.790 47 L CB 1.623 43.568 42.059 -0.189 0.000 0.942 47 L HN 0.912 8.807 8.230 -0.385 0.104 0.452 48 I N -4.896 115.528 120.570 -0.244 0.000 2.768 48 I HA 0.129 nan 4.170 nan 0.000 0.298 48 I C -2.548 173.495 176.117 -0.123 0.000 1.672 48 I CA -0.493 60.688 61.300 -0.199 0.000 0.962 48 I CB 2.545 40.407 38.000 -0.229 0.000 1.409 48 I HN -0.362 7.713 8.210 -0.226 0.000 0.549 49 S N 3.702 119.330 115.700 -0.119 0.000 2.625 49 S HA 0.950 nan 4.470 nan 0.000 0.271 49 S C -2.081 172.460 174.600 -0.099 0.000 1.161 49 S CA -1.332 56.793 58.200 -0.125 0.000 0.820 49 S CB 3.016 66.064 63.200 -0.254 0.000 1.137 49 S HN -0.085 8.151 8.310 -0.124 0.000 0.470 50 I N 0.049 120.549 120.570 -0.116 0.000 2.913 50 I HA 0.311 nan 4.170 nan 0.000 0.302 50 I C -2.686 173.374 176.117 -0.095 0.000 1.246 50 I CA -1.124 60.118 61.300 -0.096 0.000 1.010 50 I CB 3.795 41.727 38.000 -0.113 0.000 1.259 50 I HN 0.728 8.718 8.210 -0.182 0.111 0.434 51 L N 2.483 123.687 121.223 -0.031 0.000 2.358 51 L HA 0.513 nan 4.340 nan 0.000 0.268 51 L C 1.453 178.335 176.870 0.020 0.000 1.032 51 L CA -1.900 52.964 54.840 0.040 0.000 0.805 51 L CB 1.152 43.266 42.059 0.091 0.000 1.253 51 L HN 0.162 8.383 8.230 -0.016 0.000 0.452 52 S N 1.367 117.169 115.700 0.169 0.000 2.447 52 S HA -0.294 nan 4.470 nan 0.000 0.233 52 S C 0.907 175.768 174.600 0.436 0.000 1.006 52 S CA 2.781 61.269 58.200 0.481 0.000 0.957 52 S CB 0.063 63.572 63.200 0.516 0.000 0.773 52 S HN 0.263 8.679 8.310 0.177 0.000 0.507 53 V N -1.147 118.917 119.914 0.250 0.000 2.488 53 V HA 0.028 nan 4.120 nan 0.000 0.246 53 V C -0.138 176.062 176.094 0.176 0.000 1.046 53 V CA 1.002 63.414 62.300 0.187 0.000 1.053 53 V CB 0.011 31.910 31.823 0.126 0.000 0.679 53 V HN 0.150 8.419 8.190 0.199 0.041 0.458 54 S N 0.051 115.852 115.700 0.167 0.000 2.586 54 S HA 0.170 nan 4.470 nan 0.000 0.274 54 S C -1.056 173.684 174.600 0.232 0.000 1.281 54 S CA 0.239 58.518 58.200 0.131 0.000 1.035 54 S CB 1.253 64.490 63.200 0.062 0.000 0.962 54 S HN -0.568 7.741 8.310 0.158 0.095 0.512 55 N N 0.054 118.853 118.700 0.165 0.000 2.238 55 N HA -0.006 nan 4.740 nan 0.000 0.235 55 N C -1.653 173.896 175.510 0.065 0.000 1.209 55 N CA -0.046 53.126 53.050 0.203 0.000 0.879 55 N CB 1.383 39.937 38.487 0.111 0.000 1.136 55 N HN 0.301 8.737 8.380 0.093 0.000 0.517 56 K N -0.174 120.203 120.400 -0.038 0.000 2.597 56 K HA 0.283 nan 4.320 nan 0.000 0.282 56 K C -2.352 174.131 176.600 -0.196 0.000 0.975 56 K CA 0.057 56.202 56.287 -0.237 0.000 0.867 56 K CB 2.858 35.215 32.500 -0.239 0.000 1.465 56 K HN -0.731 7.519 8.250 -0.001 0.000 0.417 57 K N -0.106 120.128 120.400 -0.278 0.000 2.580 57 K HA 0.158 nan 4.320 nan 0.000 0.258 57 K C -2.760 173.732 176.600 -0.179 0.000 0.936 57 K CA 0.276 56.456 56.287 -0.178 0.000 0.852 57 K CB 3.957 36.377 32.500 -0.134 0.000 1.329 57 K HN 0.185 8.171 8.250 -0.440 0.000 0.430 58 E N 4.289 124.421 120.200 -0.113 0.000 2.165 58 E HA 0.390 nan 4.350 nan 0.000 0.266 58 E C -1.400 175.184 176.600 -0.027 0.000 0.889 58 E CA -0.969 55.390 56.400 -0.068 0.000 0.756 58 E CB 1.370 31.035 29.700 -0.060 0.000 1.131 58 E HN -0.035 8.268 8.360 -0.095 0.000 0.411 59 D N 4.758 125.170 120.400 0.021 0.000 2.394 59 D HA 0.104 nan 4.640 nan 0.000 0.226 59 D C -0.166 176.176 176.300 0.069 0.000 0.990 59 D CA -0.185 53.829 54.000 0.023 0.000 0.902 59 D CB 1.298 42.095 40.800 -0.005 0.000 1.038 59 D HN 0.057 8.463 8.370 0.060 0.000 0.499 60 G N 0.205 109.078 108.800 0.121 0.000 2.414 60 G HA2 -0.177 nan 3.960 nan 0.000 0.213 60 G HA3 -0.177 nan 3.960 nan 0.000 0.213 60 G C -1.520 173.472 174.900 0.154 0.000 1.444 60 G CA -0.487 44.677 45.100 0.107 0.000 1.076 60 G HN -0.584 7.795 8.290 0.150 0.000 0.638 61 R N -1.438 119.089 120.500 0.046 0.000 3.502 61 R HA -0.334 nan 4.340 nan 0.000 0.266 61 R C -2.184 173.966 176.300 -0.250 0.000 1.077 61 R CA 1.107 57.166 56.100 -0.069 0.000 0.718 61 R CB -1.594 28.654 30.300 -0.086 0.000 1.120 61 R HN 0.260 8.547 8.270 0.029 0.000 0.457 62 F N -2.537 117.389 119.950 -0.040 0.000 2.689 62 F HA 0.239 nan 4.527 nan 0.000 0.332 62 F C -2.133 173.590 175.800 -0.127 0.000 1.209 62 F CA -0.454 57.502 58.000 -0.073 0.000 1.028 62 F CB 2.915 41.875 39.000 -0.067 0.000 1.291 62 F HN -0.694 7.640 8.300 0.091 0.021 0.500 63 T N 6.502 121.063 114.554 0.011 0.000 2.921 63 T HA 0.588 nan 4.350 nan 0.000 0.297 63 T C -1.875 172.673 174.700 -0.254 0.000 1.013 63 T CA -0.362 61.619 62.100 -0.198 0.000 0.990 63 T CB 2.546 71.207 68.868 -0.346 0.000 1.023 63 T HN 0.532 8.785 8.240 0.022 0.000 0.447 64 I N 4.810 125.176 120.570 -0.339 0.000 2.330 64 I HA 0.524 nan 4.170 nan 0.000 0.289 64 I C -1.591 174.344 176.117 -0.302 0.000 1.001 64 I CA -1.142 60.006 61.300 -0.253 0.000 1.193 64 I CB 1.379 39.271 38.000 -0.179 0.000 1.345 64 I HN -0.106 7.898 8.210 -0.343 0.000 0.461 65 F N 6.794 126.693 119.950 -0.085 0.000 2.415 65 F HA 0.200 nan 4.527 nan 0.000 0.348 65 F C -1.590 174.278 175.800 0.113 0.000 1.119 65 F CA -1.214 56.761 58.000 -0.041 0.000 1.069 65 F CB 1.986 40.906 39.000 -0.133 0.000 1.124 65 F HN 0.613 9.049 8.300 0.226 0.000 0.472 66 F N 5.851 125.836 119.950 0.059 0.000 2.500 66 F HA 0.327 nan 4.527 nan 0.000 0.349 66 F C -2.020 173.797 175.800 0.029 0.000 1.127 66 F CA -1.780 56.222 58.000 0.004 0.000 0.998 66 F CB 2.177 41.135 39.000 -0.070 0.000 1.237 66 F HN 0.417 8.750 8.300 0.230 0.105 0.439 67 N N 9.191 127.626 118.700 -0.443 0.000 2.678 67 N HA 0.194 nan 4.740 nan 0.000 0.231 67 N C -0.192 174.933 175.510 -0.642 0.000 1.038 67 N CA -1.390 51.410 53.050 -0.418 0.000 0.932 67 N CB 0.142 38.528 38.487 -0.168 0.000 1.176 67 N HN 0.547 8.787 8.380 -0.234 0.000 0.511 68 K N 6.452 126.326 120.400 -0.876 0.000 2.209 68 K HA -0.241 nan 4.320 nan 0.000 0.204 68 K C 0.916 177.406 176.600 -0.183 0.000 1.048 68 K CA 2.480 58.451 56.287 -0.527 0.000 0.940 68 K CB 0.154 32.509 32.500 -0.242 0.000 0.729 68 K HN 0.236 7.958 8.250 -0.880 0.000 0.451 69 R N -1.593 118.805 120.500 -0.171 0.000 2.088 69 R HA -0.234 nan 4.340 nan 0.000 0.232 69 R C 2.124 178.356 176.300 -0.114 0.000 1.136 69 R CA 2.411 58.451 56.100 -0.101 0.000 0.926 69 R CB 0.066 30.316 30.300 -0.083 0.000 0.837 69 R HN -0.250 7.923 8.270 -0.213 -0.031 0.429 70 E N -2.758 117.363 120.200 -0.132 0.000 2.358 70 E HA -0.062 nan 4.350 nan 0.000 0.195 70 E C -0.186 176.301 176.600 -0.187 0.000 1.010 70 E CA 0.401 56.725 56.400 -0.125 0.000 0.856 70 E CB 0.290 29.934 29.700 -0.094 0.000 0.795 70 E HN -0.393 8.263 8.360 -0.140 -0.380 0.504 71 K N -7.213 113.037 120.400 -0.251 0.000 3.218 71 K HA -0.439 nan 4.320 nan 0.000 0.276 71 K C -1.496 174.997 176.600 -0.179 0.000 1.173 71 K CA 0.600 56.592 56.287 -0.492 0.000 0.812 71 K CB -2.046 29.920 32.500 -0.890 0.000 1.275 71 K HN -0.338 7.614 8.250 -0.220 0.166 0.504 72 K N -2.866 117.502 120.400 -0.052 0.000 2.156 72 K HA 0.878 nan 4.320 nan 0.000 0.254 72 K C -2.074 174.612 176.600 0.143 0.000 0.950 72 K CA -1.053 55.269 56.287 0.059 0.000 0.849 72 K CB 2.439 34.947 32.500 0.014 0.000 1.100 72 K HN -0.422 7.739 8.250 -0.130 0.011 0.434 73 L N 1.712 123.083 121.223 0.247 0.000 2.424 73 L HA 0.848 nan 4.340 nan 0.000 0.258 73 L C -2.701 174.385 176.870 0.359 0.000 0.995 73 L CA -0.999 54.048 54.840 0.346 0.000 0.821 73 L CB 4.515 46.805 42.059 0.384 0.000 1.383 73 L HN 0.542 8.914 8.230 0.237 0.000 0.410 74 S N 0.621 116.528 115.700 0.344 0.000 2.548 74 S HA 0.593 nan 4.470 nan 0.000 0.278 74 S C -2.734 171.914 174.600 0.080 0.000 1.150 74 S CA -0.217 58.131 58.200 0.247 0.000 0.907 74 S CB 2.909 66.269 63.200 0.267 0.000 1.108 74 S HN 0.410 8.921 8.310 0.334 0.000 0.459 75 L N 3.347 124.378 121.223 -0.321 0.000 2.282 75 L HA 0.578 nan 4.340 nan 0.000 0.288 75 L C -2.387 174.429 176.870 -0.090 0.000 1.033 75 L CA -1.254 53.304 54.840 -0.470 0.000 0.807 75 L CB 2.335 43.665 42.059 -1.215 0.000 1.209 75 L HN 0.785 8.792 8.230 -0.372 0.000 0.423 76 H N 7.498 126.462 119.070 -0.177 0.000 2.551 76 H HA 0.424 nan 4.556 nan 0.000 0.321 76 H C -0.563 174.600 175.328 -0.276 0.000 1.028 76 H CA -1.929 54.028 56.048 -0.152 0.000 1.215 76 H CB 1.930 31.704 29.762 0.020 0.000 1.414 76 H HN 0.995 9.269 8.280 0.170 0.107 0.480 77 I N 6.089 126.482 120.570 -0.294 0.000 2.268 77 I HA 0.042 nan 4.170 nan 0.000 0.290 77 I C -1.128 174.783 176.117 -0.345 0.000 1.125 77 I CA -1.362 59.619 61.300 -0.530 0.000 1.236 77 I CB -0.965 36.726 38.000 -0.516 0.000 1.469 77 I HN 0.343 8.383 8.210 -0.283 0.000 0.512 78 A N 6.504 129.152 122.820 -0.287 0.000 2.498 78 A HA -0.158 nan 4.320 nan 0.000 0.239 78 A C -0.592 176.907 177.584 -0.142 0.000 1.068 78 A CA 0.351 52.295 52.037 -0.154 0.000 0.766 78 A CB 0.334 19.276 19.000 -0.096 0.000 1.003 78 A HN 0.041 7.981 8.150 -0.351 0.000 0.497 79 D N 0.511 120.865 120.400 -0.077 0.000 2.689 79 D HA -0.428 nan 4.640 nan 0.000 0.237 79 D C -0.522 175.751 176.300 -0.045 0.000 1.148 79 D CA 0.680 54.653 54.000 -0.044 0.000 0.656 79 D CB -0.541 40.239 40.800 -0.033 0.000 1.050 79 D HN 0.567 8.901 8.370 -0.060 0.000 0.426 80 S N -2.726 112.939 115.700 -0.059 0.000 3.364 80 S HA -0.401 nan 4.470 nan 0.000 0.398 80 S C 0.165 174.776 174.600 0.019 0.000 1.011 80 S CA 1.630 59.805 58.200 -0.041 0.000 1.756 80 S CB -0.568 62.607 63.200 -0.042 0.000 1.100 80 S HN -0.155 8.021 8.310 -0.070 0.092 0.613 81 Q N 6.545 126.363 119.800 0.030 0.000 2.352 81 Q HA 0.185 nan 4.340 nan 0.000 0.260 81 Q C -0.080 175.975 176.000 0.093 0.000 0.976 81 Q CA -1.946 53.893 55.803 0.061 0.000 0.881 81 Q CB 0.826 29.606 28.738 0.069 0.000 1.235 81 Q HN -0.456 7.966 8.270 0.006 -0.149 0.419 82 P HA -0.127 nan 4.420 nan 0.000 0.226 82 P C 0.325 177.707 177.300 0.137 0.000 1.146 82 P CA 1.708 64.875 63.100 0.112 0.000 0.773 82 P CB -0.301 31.457 31.700 0.097 0.000 0.772 83 G N -2.572 106.313 108.800 0.142 0.000 2.484 83 G HA2 -0.252 nan 3.960 nan 0.000 0.218 83 G HA3 -0.252 nan 3.960 nan 0.000 0.218 83 G C 0.047 175.129 174.900 0.303 0.000 1.130 83 G CA 0.943 46.152 45.100 0.181 0.000 0.784 83 G HN 0.090 8.392 8.290 0.121 0.060 0.543 84 D N 0.445 121.012 120.400 0.277 0.000 2.363 84 D HA 0.021 nan 4.640 nan 0.000 0.226 84 D C -0.070 176.449 176.300 0.365 0.000 1.020 84 D CA 0.538 54.751 54.000 0.356 0.000 0.892 84 D CB -0.605 40.356 40.800 0.267 0.000 0.900 84 D HN -0.036 8.298 8.370 0.206 0.160 0.531 85 S N 1.890 117.771 115.700 0.301 0.000 2.560 85 S HA -0.231 nan 4.470 nan 0.000 0.323 85 S C -1.460 173.291 174.600 0.251 0.000 1.191 85 S CA 1.923 60.275 58.200 0.253 0.000 1.231 85 S CB -0.339 62.981 63.200 0.200 0.000 1.224 85 S HN -0.768 7.621 8.310 0.276 0.087 0.545 86 A N 4.887 127.806 122.820 0.164 0.000 2.564 86 A HA 0.498 nan 4.320 nan 0.000 0.291 86 A C -1.949 175.587 177.584 -0.079 0.000 1.102 86 A CA -0.407 51.558 52.037 -0.119 0.000 0.660 86 A CB 2.977 21.520 19.000 -0.762 0.000 1.283 86 A HN -0.478 7.864 8.150 0.319 0.000 0.430 87 T N 1.868 116.316 114.554 -0.176 0.000 2.771 87 T HA 0.520 nan 4.350 nan 0.000 0.291 87 T C -1.145 173.402 174.700 -0.256 0.000 0.954 87 T CA 0.245 62.268 62.100 -0.128 0.000 1.045 87 T CB -0.081 68.711 68.868 -0.127 0.000 0.917 87 T HN 0.221 8.340 8.240 -0.202 0.000 0.484 88 Y N 4.943 125.144 120.300 -0.166 0.000 2.352 88 Y HA 0.428 nan 4.550 nan 0.000 0.339 88 Y C -0.984 174.849 175.900 -0.112 0.000 0.992 88 Y CA -2.169 55.943 58.100 0.019 0.000 1.100 88 Y CB 2.167 40.739 38.460 0.187 0.000 1.192 88 Y HN 0.689 8.989 8.280 0.212 0.107 0.458 89 F N 2.289 122.420 119.950 0.300 0.000 2.443 89 F HA 0.447 nan 4.527 nan 0.000 0.335 89 F C -1.286 174.309 175.800 -0.341 0.000 1.104 89 F CA -1.032 57.002 58.000 0.057 0.000 1.013 89 F CB 2.923 41.981 39.000 0.098 0.000 1.136 89 F HN 0.241 8.757 8.300 0.540 0.108 0.470 90 c N 4.756 123.060 118.600 -0.494 0.000 2.329 90 c HA 0.955 nan 4.570 nan 0.000 0.329 90 c C -2.043 171.611 174.090 -0.726 0.000 1.275 90 c CA -2.671 52.938 56.329 -1.200 0.000 1.726 90 c CB 1.260 43.023 42.510 -1.246 0.000 2.291 90 c HN 0.799 9.265 8.230 -0.202 -0.357 0.514 91 A N 6.963 129.286 122.820 -0.829 0.000 2.479 91 A HA 0.918 nan 4.320 nan 0.000 0.296 91 A C -2.719 174.454 177.584 -0.686 0.000 1.121 91 A CA -1.785 49.783 52.037 -0.781 0.000 0.743 91 A CB 3.649 21.978 19.000 -1.118 0.000 1.323 91 A HN 0.364 7.943 8.150 -0.952 0.000 0.415 92 A N -1.088 121.293 122.820 -0.731 0.000 2.513 92 A HA 0.571 nan 4.320 nan 0.000 0.296 92 A C -2.543 174.373 177.584 -1.113 0.000 1.052 92 A CA -0.247 51.147 52.037 -1.072 0.000 0.714 92 A CB 2.703 21.024 19.000 -1.131 0.000 1.279 92 A HN 0.235 7.998 8.150 -0.645 0.000 0.397 93 S N 1.600 116.783 115.700 -0.862 0.000 2.599 93 S HA 0.741 nan 4.470 nan 0.000 0.287 93 S C -0.271 174.218 174.600 -0.185 0.000 1.105 93 S CA -3.471 54.486 58.200 -0.406 0.000 0.899 93 S CB 2.136 65.310 63.200 -0.044 0.000 1.100 93 S HN 0.502 8.271 8.310 -0.902 0.000 0.482 94 A N 2.280 125.167 122.820 0.112 0.000 2.015 94 A HA -0.051 nan 4.320 nan 0.000 0.219 94 A C -0.884 176.757 177.584 0.094 0.000 1.163 94 A CA 1.555 53.717 52.037 0.210 0.000 0.646 94 A CB 0.527 19.650 19.000 0.204 0.000 0.806 94 A HN 0.738 8.955 8.150 0.112 0.000 0.448 95 S N -3.546 112.188 115.700 0.057 0.000 2.543 95 S HA 0.062 nan 4.470 nan 0.000 0.274 95 S C -2.015 172.579 174.600 -0.010 0.000 1.149 95 S CA -0.819 57.399 58.200 0.031 0.000 0.866 95 S CB 1.551 64.754 63.200 0.006 0.000 1.111 95 S HN -0.818 7.504 8.310 0.052 0.019 0.457 96 F N 2.619 122.418 119.950 -0.251 0.000 2.443 96 F HA 0.159 nan 4.527 nan 0.000 0.335 96 F C 0.369 176.017 175.800 -0.253 0.000 1.104 96 F CA -0.346 57.383 58.000 -0.451 0.000 1.013 96 F CB 1.333 39.846 39.000 -0.813 0.000 1.136 96 F HN 0.203 8.521 8.300 0.031 0.000 0.470 97 G N 6.720 114.851 108.800 -1.115 0.000 3.178 97 G HA2 -0.285 nan 3.960 nan 0.000 0.200 97 G HA3 -0.285 nan 3.960 nan 0.000 0.200 97 G C -0.696 173.951 174.900 -0.421 0.000 1.831 97 G CA -0.235 44.371 45.100 -0.823 0.000 1.470 97 G HN 0.235 7.879 8.290 -1.076 0.000 0.591 98 D N 2.429 122.672 120.400 -0.262 0.000 2.360 98 D HA -0.073 nan 4.640 nan 0.000 0.242 98 D C -0.854 175.371 176.300 -0.125 0.000 1.184 98 D CA -0.479 53.429 54.000 -0.153 0.000 0.930 98 D CB 1.088 41.830 40.800 -0.096 0.000 1.161 98 D HN 0.064 8.285 8.370 -0.249 0.000 0.447 99 N N 0.548 119.201 118.700 -0.077 0.000 3.050 99 N HA -0.054 nan 4.740 nan 0.000 0.289 99 N C -1.364 174.137 175.510 -0.015 0.000 1.209 99 N CA -0.020 53.004 53.050 -0.043 0.000 1.154 99 N CB -0.192 38.277 38.487 -0.031 0.000 1.444 99 N HN 0.141 8.480 8.380 -0.069 0.000 0.529 100 S N 2.047 117.742 115.700 -0.007 0.000 2.541 100 S HA 0.084 nan 4.470 nan 0.000 0.283 100 S C -0.796 173.829 174.600 0.042 0.000 1.196 100 S CA -0.251 57.963 58.200 0.023 0.000 1.062 100 S CB 1.767 64.984 63.200 0.030 0.000 1.009 100 S HN -0.377 7.876 8.310 -0.025 0.042 0.502 101 K N 5.091 125.523 120.400 0.053 0.000 2.401 101 K HA -0.108 nan 4.320 nan 0.000 0.278 101 K C -0.972 175.656 176.600 0.046 0.000 1.018 101 K CA 0.127 56.451 56.287 0.060 0.000 0.981 101 K CB 0.678 33.218 32.500 0.066 0.000 0.933 101 K HN 0.267 8.552 8.250 0.058 0.000 0.477 102 L N 5.602 126.868 121.223 0.072 0.000 2.260 102 L HA 0.051 nan 4.340 nan 0.000 0.289 102 L C -0.542 176.373 176.870 0.075 0.000 1.057 102 L CA -0.797 54.056 54.840 0.021 0.000 0.811 102 L CB 0.715 42.859 42.059 0.141 0.000 1.184 102 L HN 0.100 8.395 8.230 0.109 0.000 0.429 103 I N 6.021 126.525 120.570 -0.110 0.000 2.301 103 I HA 0.042 nan 4.170 nan 0.000 0.292 103 I C -1.315 174.793 176.117 -0.015 0.000 1.046 103 I CA -0.824 60.477 61.300 0.001 0.000 1.282 103 I CB 0.253 38.252 38.000 -0.001 0.000 1.409 103 I HN 0.884 8.796 8.210 -0.327 0.102 0.484 104 W N 7.483 128.707 121.300 -0.126 0.000 2.316 104 W HA 0.081 nan 4.660 nan 0.000 0.311 104 W C 0.200 176.703 176.519 -0.026 0.000 1.217 104 W CA -0.232 57.043 57.345 -0.117 0.000 1.199 104 W CB 0.407 29.760 29.460 -0.177 0.000 1.202 104 W HN 0.033 8.454 8.180 0.401 0.000 0.528 105 G N 1.611 110.501 108.800 0.150 0.000 2.486 105 G HA2 -0.026 nan 3.960 nan 0.000 0.272 105 G HA3 -0.026 nan 3.960 nan 0.000 0.272 105 G C -1.304 173.785 174.900 0.314 0.000 1.426 105 G CA -1.263 43.930 45.100 0.154 0.000 1.058 105 G HN 0.752 8.939 8.290 -0.008 0.099 0.531 106 L N -0.451 120.915 121.223 0.239 0.000 2.808 106 L HA 0.227 nan 4.340 nan 0.000 0.246 106 L C 0.208 177.145 176.870 0.111 0.000 1.153 106 L CA -0.632 54.382 54.840 0.290 0.000 0.956 106 L CB 0.180 42.345 42.059 0.177 0.000 1.270 106 L HN 0.006 8.324 8.230 0.147 0.000 0.528 107 G N -1.003 107.728 108.800 -0.115 0.000 2.728 107 G HA2 -0.335 nan 3.960 nan 0.000 0.686 107 G HA3 -0.335 nan 3.960 nan 0.000 0.686 107 G C -1.218 173.549 174.900 -0.223 0.000 1.337 107 G CA -0.457 44.320 45.100 -0.538 0.000 0.861 107 G HN -0.606 7.987 8.290 0.038 -0.281 0.597 108 T N 4.389 118.866 114.554 -0.129 0.000 2.786 108 T HA 0.274 nan 4.350 nan 0.000 0.283 108 T C -0.276 174.437 174.700 0.021 0.000 0.992 108 T CA -0.633 61.458 62.100 -0.015 0.000 0.954 108 T CB 1.743 70.641 68.868 0.049 0.000 0.934 108 T HN 0.082 8.249 8.240 -0.122 0.000 0.440 109 S N 7.002 122.706 115.700 0.008 0.000 2.528 109 S HA 0.489 nan 4.470 nan 0.000 0.277 109 S C -1.795 172.848 174.600 0.072 0.000 1.297 109 S CA 0.747 58.974 58.200 0.044 0.000 1.052 109 S CB 0.492 63.706 63.200 0.023 0.000 0.917 109 S HN 0.523 8.827 8.310 -0.010 0.000 0.492 110 L N 6.156 127.463 121.223 0.140 0.000 2.341 110 L HA 0.411 nan 4.340 nan 0.000 0.278 110 L C -2.009 174.927 176.870 0.109 0.000 1.005 110 L CA -1.061 53.846 54.840 0.112 0.000 0.818 110 L CB 2.427 44.581 42.059 0.159 0.000 1.259 110 L HN 0.232 8.462 8.230 0.191 0.115 0.418 111 V N 7.327 127.275 119.914 0.055 0.000 2.409 111 V HA 0.213 nan 4.120 nan 0.000 0.290 111 V C -1.767 174.352 176.094 0.041 0.000 1.017 111 V CA -0.973 61.362 62.300 0.058 0.000 0.841 111 V CB 1.736 33.578 31.823 0.032 0.000 1.003 111 V HN 0.103 8.304 8.190 0.019 0.000 0.426 112 V N 8.300 128.260 119.914 0.078 0.000 2.417 112 V HA 0.667 nan 4.120 nan 0.000 0.291 112 V C -1.899 174.269 176.094 0.124 0.000 1.024 112 V CA -1.600 60.752 62.300 0.087 0.000 0.861 112 V CB 1.339 33.217 31.823 0.091 0.000 0.985 112 V HN 0.174 8.427 8.190 0.104 0.000 0.436 113 N N 4.154 122.964 118.700 0.183 0.000 2.284 113 N HA 0.538 nan 4.740 nan 0.000 0.289 113 N C -2.983 172.737 175.510 0.349 0.000 1.179 113 N CA -2.390 50.799 53.050 0.231 0.000 0.774 113 N CB 2.170 40.790 38.487 0.221 0.000 1.548 113 N HN 0.078 8.580 8.380 0.202 0.000 0.473 114 P HA 0.000 nan 4.420 nan 0.000 0.216 114 P CA 0.000 63.135 63.100 0.058 0.000 0.800 114 P CB 0.000 31.709 31.700 0.014 0.000 0.726