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 2b7f_1_D 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 0.000 177.321 177.300 0.034 0.000 1.155 1 P CA 0.000 63.125 63.100 0.042 0.000 0.800 1 P CB 0.000 31.733 31.700 0.054 0.000 0.726 2 V N 2.007 121.940 119.914 0.033 0.000 2.427 2 V HA 0.250 4.370 4.120 0.000 0.000 0.268 2 V C 0.248 176.366 176.094 0.040 0.000 1.046 2 V CA 0.015 62.338 62.300 0.038 0.000 0.970 2 V CB 0.419 32.264 31.823 0.036 0.000 1.001 2 V HN 0.351 nan 8.190 nan 0.000 0.476 3 I N 8.679 129.274 120.570 0.041 0.000 2.359 3 I HA 0.381 4.551 4.170 0.000 0.000 0.284 3 I C -1.563 174.576 176.117 0.036 0.000 1.018 3 I CA -1.604 59.717 61.300 0.035 0.000 1.173 3 I CB 1.401 39.419 38.000 0.031 0.000 1.326 3 I HN 0.513 nan 8.210 nan 0.000 0.462 4 P HA 0.192 nan 4.420 nan 0.000 0.269 4 P C -0.961 176.352 177.300 0.022 0.000 1.217 4 P CA -0.220 62.898 63.100 0.030 0.000 0.783 4 P CB 0.816 32.532 31.700 0.026 0.000 0.898 5 L N 1.628 122.860 121.223 0.016 0.000 2.325 5 L HA 0.457 4.797 4.340 0.000 0.000 0.281 5 L C -0.042 176.832 176.870 0.007 0.000 1.004 5 L CA -0.432 54.413 54.840 0.010 0.000 0.823 5 L CB 1.629 43.690 42.059 0.003 0.000 1.236 5 L HN 0.368 nan 8.230 nan 0.000 0.415 6 D N 4.652 125.058 120.400 0.009 0.000 2.964 6 D HA 0.334 4.974 4.640 0.000 0.000 0.234 6 D C -1.986 174.320 176.300 0.011 0.000 1.223 6 D CA -1.617 52.389 54.000 0.009 0.000 0.889 6 D CB 2.963 43.770 40.800 0.012 0.000 1.609 6 D HN 0.127 nan 8.370 nan 0.000 0.523 7 P HA 0.014 nan 4.420 nan 0.000 0.222 7 P C 0.812 178.122 177.300 0.016 0.000 1.147 7 P CA 0.594 63.701 63.100 0.011 0.000 0.790 7 P CB 0.289 31.994 31.700 0.009 0.000 0.780 8 A N -0.273 122.557 122.820 0.016 0.000 2.132 8 A HA 0.079 4.399 4.320 0.000 0.000 0.213 8 A C 0.964 178.561 177.584 0.021 0.000 1.154 8 A CA 0.166 52.214 52.037 0.018 0.000 0.753 8 A CB -0.192 18.817 19.000 0.015 0.000 0.826 8 A HN 0.218 nan 8.150 nan 0.000 0.469 9 R N -0.261 120.252 120.500 0.022 0.000 2.514 9 R HA 0.522 4.862 4.340 0.000 0.000 0.296 9 R C -0.990 175.327 176.300 0.027 0.000 1.012 9 R CA -0.727 55.388 56.100 0.025 0.000 0.897 9 R CB 1.600 31.913 30.300 0.021 0.000 1.184 9 R HN 0.121 nan 8.270 nan 0.000 0.440 10 R N 2.759 123.280 120.500 0.034 0.000 2.590 10 R HA 0.135 4.475 4.340 0.000 0.000 0.274 10 R C -1.904 174.415 176.300 0.031 0.000 1.061 10 R CA -1.180 54.942 56.100 0.037 0.000 1.081 10 R CB 0.459 30.793 30.300 0.055 0.000 0.984 10 R HN 0.398 nan 8.270 nan 0.000 0.448 11 P HA 0.048 nan 4.420 nan 0.000 0.279 11 P C -0.925 176.390 177.300 0.026 0.000 1.318 11 P CA -0.157 62.956 63.100 0.023 0.000 0.819 11 P CB 0.693 32.404 31.700 0.018 0.000 0.927 12 V N 2.295 122.225 119.914 0.027 0.000 2.960 12 V HA 0.840 4.960 4.120 0.000 0.000 0.315 12 V C -0.239 175.866 176.094 0.018 0.000 1.087 12 V CA -1.263 61.054 62.300 0.028 0.000 0.982 12 V CB 1.875 33.719 31.823 0.035 0.000 1.039 12 V HN 0.368 nan 8.190 nan 0.000 0.437 13 I N -0.963 119.615 120.570 0.014 0.000 2.752 13 I HA 0.565 4.735 4.170 0.000 0.000 0.295 13 I C -0.451 175.661 176.117 -0.008 0.000 1.219 13 I CA -1.072 60.227 61.300 -0.001 0.000 1.030 13 I CB 1.996 39.994 38.000 -0.003 0.000 1.259 13 I HN 0.540 nan 8.210 nan 0.000 0.423 14 K N 3.299 123.682 120.400 -0.027 0.000 2.416 14 K HA 0.648 4.968 4.320 0.000 0.000 0.283 14 K C -0.298 176.276 176.600 -0.043 0.000 1.037 14 K CA -0.080 56.185 56.287 -0.037 0.000 0.995 14 K CB 0.770 33.233 32.500 -0.061 0.000 0.938 14 K HN 0.831 nan 8.250 nan 0.000 0.475 15 A N 3.220 126.022 122.820 -0.029 0.000 2.401 15 A HA 0.257 4.577 4.320 0.000 0.000 0.310 15 A C -1.054 176.512 177.584 -0.030 0.000 1.075 15 A CA -0.703 51.318 52.037 -0.027 0.000 0.746 15 A CB 1.423 20.416 19.000 -0.010 0.000 1.277 15 A HN 0.707 nan 8.150 nan 0.000 0.425 16 Q N 1.481 121.262 119.800 -0.032 0.000 2.331 16 Q HA 0.523 4.863 4.340 0.000 0.000 0.257 16 Q C -1.367 174.617 176.000 -0.027 0.000 0.957 16 Q CA -0.279 55.506 55.803 -0.030 0.000 0.923 16 Q CB 1.115 29.836 28.738 -0.029 0.000 1.212 16 Q HN 0.551 nan 8.270 nan 0.000 0.443 17 V N 3.908 123.801 119.914 -0.036 0.000 2.435 17 V HA 0.192 4.312 4.120 0.000 0.000 0.290 17 V C -0.335 175.717 176.094 -0.070 0.000 1.030 17 V CA -0.674 61.598 62.300 -0.048 0.000 0.881 17 V CB 1.698 33.486 31.823 -0.058 0.000 0.983 17 V HN 0.691 nan 8.190 nan 0.000 0.445 18 D N 3.196 123.558 120.400 -0.064 0.000 2.460 18 D HA 0.186 4.826 4.640 0.000 0.000 0.232 18 D C 1.111 177.354 176.300 -0.094 0.000 1.079 18 D CA -0.190 53.766 54.000 -0.073 0.000 0.864 18 D CB 1.852 42.626 40.800 -0.043 0.000 1.048 18 D HN 0.680 nan 8.370 nan 0.000 0.523 19 T N 0.599 115.046 114.554 -0.178 0.000 3.148 19 T HA -0.037 4.313 4.350 0.000 0.000 0.253 19 T C 0.855 175.535 174.700 -0.033 0.000 1.134 19 T CA 0.207 62.195 62.100 -0.186 0.000 1.051 19 T CB -0.233 68.234 68.868 -0.669 0.000 0.959 19 T HN 0.589 nan 8.240 nan 0.000 0.525 20 Q N -0.050 119.725 119.800 -0.041 0.000 2.406 20 Q HA -0.206 4.134 4.340 0.000 0.000 0.236 20 Q C 0.871 176.877 176.000 0.010 0.000 0.799 20 Q CA 1.438 57.234 55.803 -0.012 0.000 1.286 20 Q CB -2.655 26.094 28.738 0.018 0.000 1.615 20 Q HN 0.877 nan 8.270 nan 0.000 0.621 21 T N -3.577 110.983 114.554 0.011 0.000 3.043 21 T HA 0.398 4.748 4.350 0.000 0.000 0.272 21 T C 0.153 174.860 174.700 0.013 0.000 0.990 21 T CA 0.591 62.721 62.100 0.050 0.000 0.897 21 T CB 0.834 69.809 68.868 0.178 0.000 1.111 21 T HN 0.549 nan 8.240 nan 0.000 0.529 22 S N -0.047 115.630 115.700 -0.038 0.000 2.686 22 S HA 0.275 4.745 4.470 0.000 0.000 0.273 22 S C -1.019 173.559 174.600 -0.035 0.000 1.060 22 S CA -1.077 57.113 58.200 -0.016 0.000 0.845 22 S CB 0.221 63.435 63.200 0.024 0.000 1.086 22 S HN 0.333 nan 8.310 nan 0.000 0.461 23 H N 1.542 120.594 119.070 -0.030 0.000 2.983 23 H HA 0.208 4.764 4.556 0.000 0.000 0.361 23 H C -2.165 173.132 175.328 -0.052 0.000 1.145 23 H CA 0.545 56.573 56.048 -0.033 0.000 1.404 23 H CB -0.011 29.737 29.762 -0.023 0.000 1.356 23 H HN 0.482 nan 8.280 nan 0.000 0.612 24 P HA 0.217 nan 4.420 nan 0.000 0.278 24 P C -0.689 176.610 177.300 -0.002 0.000 1.238 24 P CA -0.284 62.813 63.100 -0.004 0.000 0.794 24 P CB 1.277 32.972 31.700 -0.008 0.000 0.955 25 K N 0.394 120.775 120.400 -0.031 0.000 2.385 25 K HA 0.520 4.840 4.320 0.000 0.000 0.248 25 K C -0.343 176.239 176.600 -0.031 0.000 0.955 25 K CA -0.648 55.621 56.287 -0.029 0.000 0.816 25 K CB 1.694 34.170 32.500 -0.040 0.000 1.250 25 K HN 0.261 nan 8.250 nan 0.000 0.434 26 T N 2.695 117.233 114.554 -0.027 0.000 2.806 26 T HA 0.509 4.859 4.350 0.000 0.000 0.290 26 T C -0.103 174.585 174.700 -0.020 0.000 0.966 26 T CA -0.462 61.622 62.100 -0.027 0.000 1.060 26 T CB 0.044 68.894 68.868 -0.030 0.000 0.927 26 T HN 0.518 nan 8.240 nan 0.000 0.485 27 I N -0.445 120.117 120.570 -0.015 0.000 3.191 27 I HA 0.701 4.871 4.170 0.000 0.000 0.313 27 I C -0.939 175.181 176.117 0.004 0.000 1.193 27 I CA -1.182 60.118 61.300 -0.001 0.000 0.968 27 I CB 2.429 40.434 38.000 0.010 0.000 1.262 27 I HN 0.352 nan 8.210 nan 0.000 0.456 28 E N 1.746 121.957 120.200 0.019 0.000 2.166 28 E HA 0.718 5.068 4.350 0.000 0.000 0.275 28 E C -1.240 175.388 176.600 0.047 0.000 0.941 28 E CA -0.953 55.461 56.400 0.024 0.000 0.784 28 E CB 2.034 31.749 29.700 0.026 0.000 1.115 28 E HN 0.793 nan 8.360 nan 0.000 0.399 29 A N 3.790 126.636 122.820 0.044 0.000 2.386 29 A HA 0.433 4.753 4.320 0.000 0.000 0.311 29 A C -1.224 176.394 177.584 0.056 0.000 1.068 29 A CA -0.747 51.326 52.037 0.061 0.000 0.743 29 A CB 1.069 20.097 19.000 0.046 0.000 1.258 29 A HN 0.557 nan 8.150 nan 0.000 0.429 30 L N 2.680 123.945 121.223 0.071 0.000 2.369 30 L HA 0.375 4.715 4.340 0.000 0.000 0.279 30 L C -0.577 176.299 176.870 0.011 0.000 1.108 30 L CA 0.158 55.024 54.840 0.044 0.000 0.852 30 L CB -0.022 42.065 42.059 0.046 0.000 1.169 30 L HN 0.565 nan 8.230 nan 0.000 0.452 31 L N 5.546 126.774 121.223 0.008 0.000 2.325 31 L HA 0.282 4.622 4.340 0.000 0.000 0.284 31 L C -0.339 176.521 176.870 -0.017 0.000 1.089 31 L CA -0.029 54.810 54.840 -0.002 0.000 0.836 31 L CB 0.346 42.409 42.059 0.006 0.000 1.184 31 L HN 0.598 nan 8.230 nan 0.000 0.444 32 D N 1.674 122.054 120.400 -0.032 0.000 2.378 32 D HA 0.071 4.711 4.640 0.000 0.000 0.265 32 D C 1.201 177.470 176.300 -0.052 0.000 1.229 32 D CA -0.378 53.589 54.000 -0.054 0.000 0.914 32 D CB 1.149 41.894 40.800 -0.092 0.000 1.140 32 D HN 0.536 nan 8.370 nan 0.000 0.516 33 T N -0.670 113.862 114.554 -0.037 0.000 3.139 33 T HA 0.005 4.355 4.350 0.000 0.000 0.267 33 T C 1.544 176.217 174.700 -0.045 0.000 1.164 33 T CA 0.653 62.733 62.100 -0.033 0.000 1.075 33 T CB 0.017 68.872 68.868 -0.022 0.000 0.904 33 T HN 0.282 nan 8.240 nan 0.000 0.540 34 G N 0.178 108.942 108.800 -0.060 0.000 3.189 34 G HA2 0.549 4.509 3.960 0.000 0.000 0.225 34 G HA3 0.549 4.509 3.960 0.000 0.000 0.225 34 G C 0.313 175.160 174.900 -0.088 0.000 1.159 34 G CA -0.045 45.014 45.100 -0.069 0.000 0.763 34 G HN 0.789 nan 8.290 nan 0.000 0.549 35 A N 0.309 123.075 122.820 -0.090 0.000 2.288 35 A HA 0.560 4.880 4.320 0.000 0.000 0.320 35 A C 0.619 178.152 177.584 -0.084 0.000 1.217 35 A CA -0.487 51.484 52.037 -0.109 0.000 0.840 35 A CB 1.035 19.959 19.000 -0.127 0.000 1.179 35 A HN 0.028 nan 8.150 nan 0.000 0.504 36 D N 1.711 122.059 120.400 -0.088 0.000 2.084 36 D HA -0.039 4.601 4.640 0.000 0.000 0.196 36 D C 0.659 176.922 176.300 -0.062 0.000 0.985 36 D CA 1.682 55.641 54.000 -0.068 0.000 0.826 36 D CB 0.031 40.789 40.800 -0.070 0.000 0.978 36 D HN 0.614 nan 8.370 nan 0.000 0.456 37 M N -0.392 119.161 119.600 -0.079 0.000 2.724 37 M HA 0.249 4.729 4.480 0.000 0.000 0.310 37 M C -0.101 176.167 176.300 -0.054 0.000 1.217 37 M CA -0.467 54.798 55.300 -0.058 0.000 0.894 37 M CB 2.388 34.951 32.600 -0.060 0.000 1.719 37 M HN -0.316 nan 8.290 nan 0.000 0.479 38 T N 1.468 116.011 114.554 -0.018 0.000 2.897 38 T HA 0.425 4.775 4.350 0.000 0.000 0.294 38 T C -0.533 174.188 174.700 0.036 0.000 1.004 38 T CA -0.384 61.719 62.100 0.005 0.000 1.106 38 T CB 0.722 69.601 68.868 0.020 0.000 0.949 38 T HN 0.349 nan 8.240 nan 0.000 0.520 39 V N 4.900 124.854 119.914 0.066 0.000 2.604 39 V HA 0.638 4.758 4.120 0.000 0.000 0.305 39 V C -0.043 176.165 176.094 0.191 0.000 1.043 39 V CA -0.866 61.527 62.300 0.155 0.000 0.888 39 V CB 1.390 33.326 31.823 0.189 0.000 0.995 39 V HN 0.810 nan 8.190 nan 0.000 0.429 40 I N 2.464 123.174 120.570 0.233 0.000 2.828 40 I HA 0.774 4.944 4.170 0.000 0.000 0.302 40 I C -2.869 173.396 176.117 0.247 0.000 1.101 40 I CA -2.823 58.602 61.300 0.210 0.000 1.031 40 I CB 2.766 40.861 38.000 0.159 0.000 1.231 40 I HN 0.347 nan 8.210 nan 0.000 0.427 41 P HA 0.273 nan 4.420 nan 0.000 0.280 41 P C 0.735 178.166 177.300 0.217 0.000 1.244 41 P CA -0.129 63.073 63.100 0.171 0.000 0.784 41 P CB 1.642 33.407 31.700 0.108 0.000 0.913 42 I N 2.795 123.488 120.570 0.205 0.000 2.399 42 I HA -0.319 3.851 4.170 0.000 0.000 0.254 42 I C 1.940 178.209 176.117 0.253 0.000 1.146 42 I CA 1.461 62.922 61.300 0.268 0.000 1.412 42 I CB -0.200 37.865 38.000 0.108 0.000 1.076 42 I HN 0.389 nan 8.210 nan 0.000 0.432 43 A N 0.015 122.914 122.820 0.131 0.000 2.234 43 A HA -0.153 4.167 4.320 0.000 0.000 0.216 43 A C 2.094 179.711 177.584 0.056 0.000 1.167 43 A CA 1.230 53.315 52.037 0.080 0.000 0.698 43 A CB -0.738 18.284 19.000 0.038 0.000 0.779 43 A HN 0.571 nan 8.150 nan 0.000 0.475 44 L N -2.320 118.925 121.223 0.036 0.000 2.307 44 L HA 0.133 4.473 4.340 0.000 0.000 0.211 44 L C 0.825 177.583 176.870 -0.185 0.000 1.099 44 L CA -0.115 54.645 54.840 -0.134 0.000 0.816 44 L CB -0.229 41.650 42.059 -0.300 0.000 0.952 44 L HN 0.336 nan 8.230 nan 0.000 0.455 45 F N -0.172 119.791 119.950 0.022 0.000 2.284 45 F HA 0.184 4.711 4.527 -0.000 0.000 0.297 45 F C 1.215 177.025 175.800 0.016 0.000 1.215 45 F CA -0.568 57.443 58.000 0.019 0.000 1.120 45 F CB 0.479 39.490 39.000 0.018 0.000 1.426 45 F HN -0.145 nan 8.300 nan 0.000 0.514 46 S N -1.286 114.572 115.700 0.264 0.000 2.704 46 S HA 0.332 4.802 4.470 0.000 0.000 0.305 46 S C 0.638 175.303 174.600 0.108 0.000 1.107 46 S CA -0.151 58.132 58.200 0.139 0.000 0.993 46 S CB 1.266 64.529 63.200 0.104 0.000 1.110 46 S HN 0.573 nan 8.310 nan 0.000 0.534 47 S N 1.197 116.936 115.700 0.064 0.000 2.365 47 S HA -0.246 4.224 4.470 0.000 0.000 0.225 47 S C 1.118 175.730 174.600 0.019 0.000 1.039 47 S CA 1.480 59.702 58.200 0.037 0.000 1.033 47 S CB -1.259 61.956 63.200 0.025 0.000 0.887 47 S HN 0.955 nan 8.310 nan 0.000 0.447 48 N N 1.116 119.827 118.700 0.019 0.000 2.575 48 N HA 0.099 4.839 4.740 0.000 0.000 0.275 48 N C -1.047 174.460 175.510 -0.005 0.000 1.202 48 N CA -0.268 52.784 53.050 0.003 0.000 0.945 48 N CB 0.091 38.581 38.487 0.004 0.000 1.247 48 N HN 0.028 nan 8.380 nan 0.000 0.510 49 T N 3.434 117.978 114.554 -0.017 0.000 2.769 49 T HA 0.154 4.504 4.350 0.000 0.000 0.293 49 T C -2.047 172.603 174.700 -0.084 0.000 0.931 49 T CA -0.793 61.279 62.100 -0.046 0.000 1.139 49 T CB 0.893 69.705 68.868 -0.093 0.000 0.881 49 T HN 0.337 nan 8.240 nan 0.000 0.532 50 P HA 0.300 nan 4.420 nan 0.000 0.268 50 P C -0.920 176.323 177.300 -0.096 0.000 1.204 50 P CA -0.202 62.863 63.100 -0.059 0.000 0.768 50 P CB 0.618 32.299 31.700 -0.031 0.000 0.842 51 L N 2.749 123.914 121.223 -0.097 0.000 2.580 51 L HA 0.279 4.619 4.340 0.000 0.000 0.266 51 L C 0.170 177.004 176.870 -0.060 0.000 0.955 51 L CA -0.803 53.969 54.840 -0.113 0.000 0.886 51 L CB 2.159 44.109 42.059 -0.183 0.000 1.263 51 L HN 0.237 nan 8.230 nan 0.000 0.406 52 K N 2.628 123.007 120.400 -0.036 0.000 2.412 52 K HA 0.206 4.526 4.320 0.000 0.000 0.281 52 K C -0.264 176.335 176.600 -0.002 0.000 1.027 52 K CA -0.538 55.741 56.287 -0.014 0.000 0.989 52 K CB 0.295 32.793 32.500 -0.003 0.000 0.935 52 K HN 0.366 nan 8.250 nan 0.000 0.475 53 N N 1.223 119.926 118.700 0.006 0.000 2.317 53 N HA 0.206 4.946 4.740 0.000 0.000 0.245 53 N C 0.185 175.717 175.510 0.037 0.000 1.294 53 N CA -0.080 52.986 53.050 0.027 0.000 0.924 53 N CB 1.033 39.534 38.487 0.024 0.000 1.186 53 N HN 0.671 nan 8.380 nan 0.000 0.495 54 T N -1.901 112.689 114.554 0.060 0.000 2.686 54 T HA 0.338 4.688 4.350 0.000 0.000 0.308 54 T C -1.640 173.105 174.700 0.075 0.000 1.667 54 T CA -0.631 61.501 62.100 0.052 0.000 0.987 54 T CB 0.083 68.972 68.868 0.036 0.000 1.652 54 T HN 0.326 nan 8.240 nan 0.000 0.496 55 S N 0.791 116.518 115.700 0.045 0.000 2.509 55 S HA 0.795 5.265 4.470 0.000 0.000 0.297 55 S C -0.929 173.669 174.600 -0.003 0.000 1.118 55 S CA -0.666 57.561 58.200 0.046 0.000 1.074 55 S CB 1.624 64.842 63.200 0.031 0.000 1.038 55 S HN 0.629 nan 8.310 nan 0.000 0.498 56 V N 3.265 123.174 119.914 -0.009 0.000 2.577 56 V HA 0.367 4.487 4.120 0.000 0.000 0.303 56 V C -0.770 175.280 176.094 -0.072 0.000 1.042 56 V CA -0.734 61.489 62.300 -0.128 0.000 0.872 56 V CB 1.770 33.339 31.823 -0.422 0.000 0.998 56 V HN 0.774 nan 8.190 nan 0.000 0.423 57 L N 5.178 126.352 121.223 -0.082 0.000 2.319 57 L HA 0.777 5.117 4.340 0.000 0.000 0.280 57 L C 0.656 177.480 176.870 -0.078 0.000 1.099 57 L CA 1.092 55.899 54.840 -0.056 0.000 0.828 57 L CB 0.861 42.893 42.059 -0.045 0.000 1.150 57 L HN 0.743 nan 8.230 nan 0.000 0.442 58 G N 2.571 111.344 108.800 -0.045 0.000 3.286 58 G HA2 0.549 4.509 3.960 0.000 0.000 0.166 58 G HA3 0.549 4.509 3.960 0.000 0.000 0.166 58 G C 0.480 175.362 174.900 -0.028 0.000 1.155 58 G CA 0.086 45.159 45.100 -0.046 0.000 0.871 58 G HN 0.826 nan 8.290 nan 0.000 0.637 59 A N -0.208 122.605 122.820 -0.010 0.000 1.821 59 A HA 0.231 4.551 4.320 0.000 0.000 0.215 59 A C 2.364 179.951 177.584 0.005 0.000 1.216 59 A CA 2.340 54.378 52.037 0.001 0.000 0.615 59 A CB -1.402 17.613 19.000 0.024 0.000 0.862 59 A HN 1.395 nan 8.150 nan 0.000 0.450 60 G N -1.118 107.690 108.800 0.012 0.000 3.135 60 G HA2 0.428 4.388 3.960 0.000 0.000 0.208 60 G HA3 0.428 4.388 3.960 0.000 0.000 0.208 60 G C 1.095 176.002 174.900 0.011 0.000 1.212 60 G CA 0.827 45.934 45.100 0.013 0.000 0.928 60 G HN 1.715 nan 8.290 nan 0.000 0.500 61 G N -0.317 108.486 108.800 0.004 0.000 2.514 61 G HA2 -0.284 3.676 3.960 0.000 0.000 0.265 61 G HA3 -0.284 3.676 3.960 0.000 0.000 0.265 61 G C 0.090 174.996 174.900 0.010 0.000 1.150 61 G CA -0.181 44.920 45.100 0.003 0.000 0.959 61 G HN 0.488 nan 8.290 nan 0.000 0.556 62 Q N 1.457 121.267 119.800 0.018 0.000 2.289 62 Q HA 0.461 4.801 4.340 0.000 0.000 0.273 62 Q C 0.203 176.236 176.000 0.056 0.000 1.029 62 Q CA 1.187 57.008 55.803 0.030 0.000 0.896 62 Q CB 0.776 29.531 28.738 0.027 0.000 1.182 62 Q HN 0.873 nan 8.270 nan 0.000 0.385 63 T N 2.981 117.584 114.554 0.082 0.000 3.008 63 T HA 0.278 4.628 4.350 0.000 0.000 0.328 63 T C -0.010 174.799 174.700 0.182 0.000 1.020 63 T CA -0.463 61.729 62.100 0.153 0.000 1.043 63 T CB 0.417 69.396 68.868 0.184 0.000 1.010 63 T HN 0.551 nan 8.240 nan 0.000 0.466 64 Q N 2.860 122.751 119.800 0.151 0.000 2.222 64 Q HA 0.196 4.536 4.340 0.000 0.000 0.206 64 Q C 0.057 176.142 176.000 0.141 0.000 0.877 64 Q CA 0.147 56.026 55.803 0.127 0.000 0.958 64 Q CB 0.477 29.261 28.738 0.077 0.000 1.075 64 Q HN 0.746 nan 8.270 nan 0.000 0.483 65 D N -1.760 118.760 120.400 0.199 0.000 2.480 65 D HA 0.036 4.676 4.640 0.000 0.000 0.276 65 D C 1.016 177.339 176.300 0.038 0.000 1.294 65 D CA 0.070 54.135 54.000 0.107 0.000 0.829 65 D CB 0.635 41.470 40.800 0.058 0.000 1.242 65 D HN 0.188 nan 8.370 nan 0.000 0.513 66 H N -1.146 117.940 119.070 0.027 0.000 2.582 66 H HA 0.198 4.754 4.556 -0.000 0.000 0.269 66 H C -0.224 174.891 175.328 -0.355 0.000 0.962 66 H CA 0.506 56.428 56.048 -0.211 0.000 1.230 66 H CB 0.911 30.453 29.762 -0.366 0.000 1.445 66 H HN 0.073 nan 8.280 nan 0.000 0.528 67 F N 1.249 121.286 119.950 0.145 0.000 2.508 67 F HA 0.355 4.882 4.527 0.000 0.000 0.325 67 F C 0.203 176.029 175.800 0.043 0.000 1.090 67 F CA -0.993 57.066 58.000 0.098 0.000 0.945 67 F CB 1.661 40.718 39.000 0.095 0.000 1.156 67 F HN -0.296 nan 8.300 nan 0.000 0.463 68 K N 1.953 122.471 120.400 0.197 0.000 2.295 68 K HA 0.632 4.952 4.320 0.000 0.000 0.239 68 K C -1.578 175.078 176.600 0.092 0.000 0.991 68 K CA -1.075 55.267 56.287 0.091 0.000 0.845 68 K CB 2.531 35.024 32.500 -0.011 0.000 1.197 68 K HN 0.406 nan 8.250 nan 0.000 0.441 69 L N 1.467 122.715 121.223 0.041 0.000 2.296 69 L HA 0.247 4.587 4.340 0.000 0.000 0.286 69 L C 0.245 177.113 176.870 -0.003 0.000 1.023 69 L CA -0.036 54.824 54.840 0.033 0.000 0.812 69 L CB 1.321 43.395 42.059 0.025 0.000 1.223 69 L HN 0.806 nan 8.230 nan 0.000 0.421 70 T N 0.219 114.782 114.554 0.014 0.000 2.855 70 T HA 0.157 4.507 4.350 0.000 0.000 0.314 70 T C 1.058 175.772 174.700 0.022 0.000 1.077 70 T CA 0.158 62.265 62.100 0.012 0.000 1.095 70 T CB 0.559 69.499 68.868 0.120 0.000 0.987 70 T HN 0.718 nan 8.240 nan 0.000 0.546 71 S N 1.491 117.203 115.700 0.019 0.000 2.506 71 S HA 0.287 4.757 4.470 0.000 0.000 0.219 71 S C 0.660 175.281 174.600 0.035 0.000 1.031 71 S CA -0.638 57.574 58.200 0.020 0.000 0.911 71 S CB 0.046 63.250 63.200 0.007 0.000 0.812 71 S HN 0.583 nan 8.310 nan 0.000 0.497 72 L N 2.710 123.967 121.223 0.056 0.000 2.343 72 L HA 0.550 4.890 4.340 0.000 0.000 0.275 72 L C -2.439 174.471 176.870 0.068 0.000 1.056 72 L CA -1.942 52.934 54.840 0.061 0.000 0.804 72 L CB 0.582 42.687 42.059 0.076 0.000 1.203 72 L HN -0.005 nan 8.230 nan 0.000 0.440 73 P HA 0.025 nan 4.420 nan 0.000 0.272 73 P C -0.870 176.464 177.300 0.057 0.000 1.243 73 P CA -0.081 63.047 63.100 0.046 0.000 0.803 73 P CB 0.583 32.301 31.700 0.030 0.000 0.974 74 V N 1.076 121.018 119.914 0.047 0.000 2.686 74 V HA 0.321 4.441 4.120 0.000 0.000 0.306 74 V C -0.314 175.791 176.094 0.018 0.000 1.065 74 V CA -0.567 61.756 62.300 0.038 0.000 0.894 74 V CB 1.654 33.511 31.823 0.058 0.000 1.004 74 V HN 0.270 nan 8.190 nan 0.000 0.424 75 L N 5.478 126.701 121.223 0.002 0.000 2.317 75 L HA 0.698 5.038 4.340 0.000 0.000 0.281 75 L C -0.745 176.121 176.870 -0.006 0.000 1.024 75 L CA -0.559 54.281 54.840 -0.000 0.000 0.810 75 L CB 1.827 43.885 42.059 -0.003 0.000 1.240 75 L HN 0.449 nan 8.230 nan 0.000 0.427 76 I N 2.748 123.318 120.570 -0.001 0.000 2.533 76 I HA 0.434 4.604 4.170 0.000 0.000 0.290 76 I C -0.545 175.570 176.117 -0.002 0.000 1.056 76 I CA -0.564 60.733 61.300 -0.004 0.000 1.057 76 I CB 2.400 40.401 38.000 0.002 0.000 1.240 76 I HN 0.606 nan 8.210 nan 0.000 0.423 77 R N 6.369 126.864 120.500 -0.008 0.000 2.480 77 R HA 0.699 5.039 4.340 0.000 0.000 0.306 77 R C -1.172 175.118 176.300 -0.016 0.000 0.958 77 R CA -0.696 55.400 56.100 -0.006 0.000 0.861 77 R CB 2.122 32.419 30.300 -0.005 0.000 1.171 77 R HN 0.471 nan 8.270 nan 0.000 0.445 78 L N 3.694 124.912 121.223 -0.009 0.000 2.375 78 L HA 0.399 4.739 4.340 0.000 0.000 0.268 78 L C -1.368 175.474 176.870 -0.046 0.000 1.058 78 L CA -2.309 52.519 54.840 -0.021 0.000 0.803 78 L CB 1.245 43.305 42.059 0.001 0.000 1.212 78 L HN 0.306 nan 8.230 nan 0.000 0.451 79 P HA -0.217 nan 4.420 nan 0.000 0.219 79 P C 0.668 177.702 177.300 -0.444 0.000 1.151 79 P CA 1.995 64.916 63.100 -0.298 0.000 0.850 79 P CB 0.145 31.657 31.700 -0.314 0.000 0.784 80 F N -3.322 116.630 119.950 0.004 0.000 2.463 80 F HA 0.186 4.713 4.527 0.000 0.000 0.271 80 F C 0.857 176.658 175.800 0.003 0.000 0.888 80 F CA -0.690 57.312 58.000 0.003 0.000 1.149 80 F CB -0.014 38.987 39.000 0.003 0.000 1.071 80 F HN -0.556 nan 8.300 nan 0.000 0.802 81 R N 1.636 122.253 120.500 0.194 0.000 3.058 81 R HA -0.166 4.174 4.340 0.000 0.000 0.231 81 R C 1.023 177.370 176.300 0.078 0.000 0.791 81 R CA 0.771 56.932 56.100 0.102 0.000 1.034 81 R CB -0.729 29.612 30.300 0.068 0.000 0.950 81 R HN 0.287 nan 8.270 nan 0.000 0.386 82 T N 0.908 115.501 114.554 0.064 0.000 2.939 82 T HA -0.044 4.306 4.350 0.000 0.000 0.254 82 T C 0.422 175.141 174.700 0.032 0.000 1.041 82 T CA 1.154 63.284 62.100 0.051 0.000 1.142 82 T CB 0.139 69.035 68.868 0.046 0.000 0.874 82 T HN 0.741 nan 8.240 nan 0.000 0.452 83 T N 3.476 118.047 114.554 0.028 0.000 2.870 83 T HA 0.481 4.831 4.350 0.000 0.000 0.300 83 T C -2.406 172.304 174.700 0.017 0.000 0.989 83 T CA -1.384 60.728 62.100 0.020 0.000 1.139 83 T CB 0.907 69.786 68.868 0.017 0.000 0.920 83 T HN 0.258 nan 8.240 nan 0.000 0.537 84 P HA 0.472 nan 4.420 nan 0.000 0.278 84 P C -0.227 177.079 177.300 0.010 0.000 1.258 84 P CA -0.926 62.179 63.100 0.010 0.000 0.811 84 P CB 0.827 32.531 31.700 0.006 0.000 1.063 85 I N 0.259 120.834 120.570 0.009 0.000 2.638 85 I HA 0.164 4.334 4.170 0.000 0.000 0.286 85 I C 0.010 176.132 176.117 0.009 0.000 1.088 85 I CA -0.246 61.060 61.300 0.009 0.000 1.397 85 I CB 0.788 38.793 38.000 0.009 0.000 1.414 85 I HN -0.003 nan 8.210 nan 0.000 0.566 86 V N 7.093 127.013 119.914 0.010 0.000 2.524 86 V HA 0.383 4.503 4.120 0.000 0.000 0.297 86 V C -0.346 175.757 176.094 0.014 0.000 1.035 86 V CA -0.565 61.742 62.300 0.012 0.000 0.867 86 V CB 1.556 33.386 31.823 0.011 0.000 1.004 86 V HN 0.423 nan 8.190 nan 0.000 0.426 87 L N 3.589 124.823 121.223 0.019 0.000 2.307 87 L HA 0.416 4.756 4.340 0.000 0.000 0.284 87 L C 1.636 178.521 176.870 0.025 0.000 1.023 87 L CA -0.331 54.521 54.840 0.021 0.000 0.810 87 L CB 1.751 43.825 42.059 0.026 0.000 1.231 87 L HN 0.654 nan 8.230 nan 0.000 0.423 88 T N 0.383 114.950 114.554 0.020 0.000 2.721 88 T HA -0.139 4.211 4.350 0.000 0.000 0.268 88 T C 0.643 175.361 174.700 0.031 0.000 1.038 88 T CA 1.790 63.903 62.100 0.022 0.000 1.145 88 T CB -0.175 68.702 68.868 0.015 0.000 0.858 88 T HN 0.813 nan 8.240 nan 0.000 0.459 89 S N -0.916 114.804 115.700 0.034 0.000 2.595 89 S HA 0.586 5.056 4.470 0.000 0.000 0.270 89 S C -0.888 173.741 174.600 0.049 0.000 1.145 89 S CA -1.047 57.181 58.200 0.046 0.000 0.825 89 S CB 1.500 64.721 63.200 0.035 0.000 1.107 89 S HN 0.739 nan 8.310 nan 0.000 0.461 90 C N 0.534 119.877 119.300 0.072 0.000 3.288 90 C HA 0.796 5.256 4.460 0.000 0.000 0.318 90 C C -0.616 174.432 174.990 0.097 0.000 1.356 90 C CA -1.178 57.884 59.018 0.073 0.000 1.359 90 C CB -0.312 27.477 27.740 0.080 0.000 1.688 90 C HN 1.086 nan 8.230 nan 0.000 0.467 91 L N 1.618 122.895 121.223 0.090 0.000 2.461 91 L HA 0.516 4.856 4.340 0.000 0.000 0.272 91 L C -0.180 176.835 176.870 0.242 0.000 1.197 91 L CA -0.004 54.921 54.840 0.140 0.000 0.836 91 L CB 0.897 42.993 42.059 0.062 0.000 1.105 91 L HN 0.642 nan 8.230 nan 0.000 0.477 92 V N 1.601 121.690 119.914 0.292 0.000 2.443 92 V HA 0.139 4.259 4.120 0.000 0.000 0.293 92 V C -0.345 175.904 176.094 0.258 0.000 1.021 92 V CA -0.714 61.745 62.300 0.265 0.000 0.848 92 V CB 1.645 33.539 31.823 0.119 0.000 0.998 92 V HN 0.617 nan 8.190 nan 0.000 0.424 93 D N 3.705 124.252 120.400 0.245 0.000 2.359 93 D HA 0.045 4.685 4.640 0.000 0.000 0.250 93 D C 1.457 177.729 176.300 -0.046 0.000 1.264 93 D CA 0.431 54.437 54.000 0.010 0.000 0.911 93 D CB 1.628 42.521 40.800 0.154 0.000 1.056 93 D HN 0.750 nan 8.370 nan 0.000 0.499 94 T N 0.957 115.431 114.554 -0.133 0.000 3.055 94 T HA -0.036 4.314 4.350 0.000 0.000 0.265 94 T C 1.506 176.138 174.700 -0.113 0.000 1.111 94 T CA 0.575 62.619 62.100 -0.092 0.000 1.118 94 T CB 0.086 68.890 68.868 -0.106 0.000 0.909 94 T HN 0.258 nan 8.240 nan 0.000 0.501 95 K N 0.728 121.037 120.400 -0.152 0.000 2.400 95 K HA 0.130 4.450 4.320 0.000 0.000 0.194 95 K C 0.582 177.117 176.600 -0.108 0.000 1.033 95 K CA 0.407 56.622 56.287 -0.120 0.000 1.021 95 K CB -0.053 32.406 32.500 -0.068 0.000 0.808 95 K HN 0.494 nan 8.250 nan 0.000 0.505 96 N N -0.581 118.062 118.700 -0.096 0.000 3.003 96 N HA -0.145 4.595 4.740 0.000 0.000 0.237 96 N C -0.343 175.087 175.510 -0.135 0.000 0.969 96 N CA 0.634 53.643 53.050 -0.067 0.000 0.941 96 N CB -1.030 37.425 38.487 -0.054 0.000 1.098 96 N HN 0.276 nan 8.380 nan 0.000 0.563 97 N N -0.938 117.594 118.700 -0.281 0.000 2.463 97 N HA 0.128 4.868 4.740 0.000 0.000 0.181 97 N C -0.568 174.604 175.510 -0.564 0.000 1.078 97 N CA 0.821 53.502 53.050 -0.615 0.000 0.902 97 N CB 0.188 38.050 38.487 -1.042 0.000 0.970 97 N HN 0.334 nan 8.380 nan 0.000 0.451 98 W N 0.058 121.391 121.300 0.055 0.000 2.739 98 W HA 0.711 5.371 4.660 0.000 0.000 0.331 98 W C -1.175 175.396 176.519 0.087 0.000 1.049 98 W CA -1.203 56.194 57.345 0.086 0.000 1.234 98 W CB 1.631 31.181 29.460 0.150 0.000 1.404 98 W HN -0.274 nan 8.180 nan 0.000 0.477 99 A N 4.782 127.845 122.820 0.404 0.000 2.385 99 A HA 0.866 5.186 4.320 0.000 0.000 0.290 99 A C -1.256 176.439 177.584 0.185 0.000 1.094 99 A CA -0.548 51.629 52.037 0.233 0.000 0.729 99 A CB 0.558 19.654 19.000 0.160 0.000 1.194 99 A HN 0.620 nan 8.150 nan 0.000 0.442 100 I N 3.149 123.789 120.570 0.117 0.000 2.610 100 I HA 0.323 4.493 4.170 0.000 0.000 0.289 100 I C -0.924 175.207 176.117 0.022 0.000 1.163 100 I CA -0.326 60.996 61.300 0.037 0.000 1.044 100 I CB 2.188 40.159 38.000 -0.049 0.000 1.251 100 I HN 0.517 nan 8.210 nan 0.000 0.424 101 I N 5.221 125.797 120.570 0.009 0.000 2.297 101 I HA 0.354 4.524 4.170 0.000 0.000 0.291 101 I C 0.934 177.041 176.117 -0.016 0.000 1.033 101 I CA 0.136 61.439 61.300 0.004 0.000 1.253 101 I CB 1.200 39.205 38.000 0.009 0.000 1.396 101 I HN 0.724 nan 8.210 nan 0.000 0.476 102 G N 5.098 113.884 108.800 -0.023 0.000 2.606 102 G HA2 0.303 4.263 3.960 0.000 0.000 0.262 102 G HA3 0.303 4.263 3.960 0.000 0.000 0.262 102 G C 0.734 175.620 174.900 -0.025 0.000 1.394 102 G CA -0.453 44.625 45.100 -0.037 0.000 1.044 102 G HN 0.559 nan 8.290 nan 0.000 0.553 103 R N -0.262 120.221 120.500 -0.029 0.000 2.189 103 R HA -0.049 4.291 4.340 0.000 0.000 0.218 103 R C 2.221 178.514 176.300 -0.013 0.000 1.074 103 R CA 1.356 57.445 56.100 -0.020 0.000 0.991 103 R CB -0.064 30.222 30.300 -0.023 0.000 0.883 103 R HN 0.695 nan 8.270 nan 0.000 0.457 104 D N 0.691 121.083 120.400 -0.014 0.000 2.104 104 D HA -0.194 4.446 4.640 0.000 0.000 0.194 104 D C 1.618 177.917 176.300 -0.002 0.000 0.994 104 D CA 1.683 55.679 54.000 -0.007 0.000 0.830 104 D CB -0.364 40.432 40.800 -0.007 0.000 0.959 104 D HN 0.168 nan 8.370 nan 0.000 0.452 105 A N 0.542 123.362 122.820 -0.001 0.000 1.855 105 A HA 0.078 4.398 4.320 0.000 0.000 0.213 105 A C 2.544 180.130 177.584 0.003 0.000 1.195 105 A CA 1.023 53.062 52.037 0.003 0.000 0.610 105 A CB -0.972 18.031 19.000 0.005 0.000 0.837 105 A HN 0.243 nan 8.150 nan 0.000 0.444 106 L N -0.283 120.941 121.223 0.001 0.000 2.081 106 L HA -0.297 4.043 4.340 0.000 0.000 0.212 106 L C 2.899 179.771 176.870 0.004 0.000 1.080 106 L CA 1.981 56.823 54.840 0.003 0.000 0.754 106 L CB -0.534 41.525 42.059 0.000 0.000 0.893 106 L HN 0.651 nan 8.230 nan 0.000 0.433 107 Q N -0.227 119.574 119.800 0.001 0.000 2.050 107 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 107 Q C 2.229 178.231 176.000 0.004 0.000 0.980 107 Q CA 1.576 57.380 55.803 0.002 0.000 0.840 107 Q CB -0.029 28.709 28.738 -0.000 0.000 0.898 107 Q HN 0.517 nan 8.270 nan 0.000 0.424 108 Q N -0.187 119.615 119.800 0.004 0.000 2.197 108 Q HA -0.168 4.172 4.340 0.000 0.000 0.207 108 Q C 2.222 178.227 176.000 0.008 0.000 0.984 108 Q CA 1.633 57.439 55.803 0.006 0.000 0.869 108 Q CB -0.396 28.346 28.738 0.007 0.000 0.906 108 Q HN 0.685 nan 8.270 nan 0.000 0.426 109 C N -1.364 117.942 119.300 0.009 0.000 2.855 109 C HA 0.340 4.800 4.460 0.000 0.000 0.279 109 C C 0.546 175.542 174.990 0.011 0.000 1.270 109 C CA -0.632 58.393 59.018 0.011 0.000 1.702 109 C CB -0.660 27.088 27.740 0.014 0.000 1.949 109 C HN 0.456 nan 8.230 nan 0.000 0.618 110 Q N 0.426 120.231 119.800 0.008 0.000 2.493 110 Q HA -0.127 4.213 4.340 0.000 0.000 0.278 110 Q C 0.597 176.602 176.000 0.010 0.000 1.216 110 Q CA 0.590 56.398 55.803 0.007 0.000 0.875 110 Q CB -1.826 26.915 28.738 0.005 0.000 1.262 110 Q HN 0.951 nan 8.270 nan 0.000 0.468 111 G N 0.386 109.193 108.800 0.012 0.000 2.441 111 G HA2 0.416 4.376 3.960 0.000 0.000 0.243 111 G HA3 0.416 4.376 3.960 0.000 0.000 0.243 111 G C 0.344 175.255 174.900 0.019 0.000 1.281 111 G CA 0.217 45.326 45.100 0.015 0.000 0.854 111 G HN 0.433 nan 8.290 nan 0.000 0.560 112 V N 1.247 121.178 119.914 0.028 0.000 2.960 112 V HA 0.699 4.819 4.120 0.000 0.000 0.315 112 V C -0.021 176.107 176.094 0.058 0.000 1.087 112 V CA -1.449 60.876 62.300 0.041 0.000 0.982 112 V CB 1.951 33.803 31.823 0.049 0.000 1.039 112 V HN 0.669 nan 8.190 nan 0.000 0.437 113 L N 3.061 124.321 121.223 0.062 0.000 2.307 113 L HA 0.567 4.907 4.340 0.000 0.000 0.282 113 L C -1.454 175.496 176.870 0.133 0.000 1.051 113 L CA -0.655 54.226 54.840 0.069 0.000 0.804 113 L CB 1.508 43.585 42.059 0.030 0.000 1.197 113 L HN 0.979 nan 8.230 nan 0.000 0.431 114 Y N 5.477 125.776 120.300 -0.002 0.000 2.326 114 Y HA 0.456 5.006 4.550 0.000 0.000 0.329 114 Y C -1.441 174.458 175.900 -0.002 0.000 0.973 114 Y CA -0.995 57.104 58.100 -0.002 0.000 1.162 114 Y CB 1.192 39.651 38.460 -0.000 0.000 1.147 114 Y HN 0.398 nan 8.280 nan 0.000 0.456 115 L N 9.123 130.038 121.223 -0.513 0.000 2.264 115 L HA 0.476 4.816 4.340 0.000 0.000 0.287 115 L C -1.827 174.585 176.870 -0.762 0.000 1.039 115 L CA -1.788 52.752 54.840 -0.500 0.000 0.829 115 L CB 0.512 42.433 42.059 -0.230 0.000 1.211 115 L HN 0.599 nan 8.230 nan 0.000 0.427 116 P HA 0.000 nan 4.420 nan 0.000 0.216 116 P CA 0.000 62.766 63.100 -0.556 0.000 0.800 116 P CB 0.000 31.553 31.700 -0.245 0.000 0.726