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 1tfh_1_B DATA FIRST_RESID 5 DATA SEQUENCE NTVAAYNLTW KSTNFKTILE WEPKPVNQVY TVQISTKSGD WKSKcFYTTD DATA SEQUENCE TEcDLTDEIV KDVKQTYLAR VFSYPAGNVX XXXXXXEPLY ENSPEFTPYL DATA SEQUENCE ETNLGQPTIQ SXXXXXTKVN VTVEDERTLV XXXNTFLSLR DVFGKDLIYT DATA SEQUENCE LYYXXXXXXG KKTAKTNTNE FLIDVDKGXX XcFSVQAVIP SRTVNRKSTD DATA SEQUENCE SPVEcM 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.526 175.510 0.027 0.000 1.280 5 N CA 0.000 53.063 53.050 0.022 0.000 0.885 5 N CB 0.000 38.499 38.487 0.021 0.000 1.341 6 T N -1.410 113.159 114.554 0.026 0.000 2.794 6 T HA 0.573 4.923 4.350 0.001 0.000 0.296 6 T C 0.254 174.975 174.700 0.035 0.000 0.949 6 T CA -0.516 61.601 62.100 0.029 0.000 1.101 6 T CB 1.492 70.375 68.868 0.024 0.000 0.905 6 T HN 0.053 nan 8.240 nan 0.000 0.516 7 V N 2.729 122.677 119.914 0.057 0.000 2.644 7 V HA 0.643 4.764 4.120 0.001 0.000 0.295 7 V C 0.812 176.961 176.094 0.090 0.000 1.053 7 V CA -0.860 61.489 62.300 0.082 0.000 0.987 7 V CB 1.263 33.158 31.823 0.120 0.000 1.006 7 V HN 1.243 nan 8.190 nan 0.000 0.472 8 A N 3.584 126.449 122.820 0.075 0.000 2.302 8 A HA 0.800 5.121 4.320 0.001 0.000 0.285 8 A C 0.398 178.013 177.584 0.051 0.000 1.105 8 A CA 0.023 52.079 52.037 0.032 0.000 0.816 8 A CB 0.599 19.581 19.000 -0.029 0.000 1.067 8 A HN 1.275 nan 8.150 nan 0.000 0.489 9 A N 0.572 123.347 122.820 -0.076 0.000 2.351 9 A HA 0.648 4.969 4.320 0.001 0.000 0.257 9 A C -0.348 177.162 177.584 -0.122 0.000 1.087 9 A CA 0.082 51.992 52.037 -0.211 0.000 0.798 9 A CB -0.076 18.627 19.000 -0.495 0.000 1.033 9 A HN 1.717 nan 8.150 nan 0.000 0.488 10 Y N -2.238 118.055 120.300 -0.012 0.000 2.625 10 Y HA 0.626 5.177 4.550 0.001 0.000 0.338 10 Y C -0.206 175.702 175.900 0.014 0.000 1.123 10 Y CA -1.919 56.171 58.100 -0.017 0.000 1.046 10 Y CB 0.692 39.144 38.460 -0.013 0.000 1.299 10 Y HN 0.669 nan 8.280 nan 0.000 0.464 11 N N -0.310 118.523 118.700 0.222 0.000 2.815 11 N HA -0.139 4.601 4.740 0.001 0.000 0.248 11 N C -1.739 173.796 175.510 0.042 0.000 1.110 11 N CA 0.438 53.572 53.050 0.140 0.000 0.699 11 N CB -1.122 37.467 38.487 0.170 0.000 1.040 11 N HN 0.655 nan 8.380 nan 0.000 0.555 12 L N 0.652 121.886 121.223 0.018 0.000 2.410 12 L HA 0.376 4.716 4.340 0.001 0.000 0.273 12 L C 0.963 177.789 176.870 -0.073 0.000 1.144 12 L CA 0.561 55.376 54.840 -0.041 0.000 0.863 12 L CB 0.600 42.593 42.059 -0.110 0.000 1.140 12 L HN 0.312 nan 8.230 nan 0.000 0.463 13 T N -1.058 113.416 114.554 -0.133 0.000 2.916 13 T HA 0.496 4.847 4.350 0.001 0.000 0.305 13 T C -1.082 173.521 174.700 -0.162 0.000 1.119 13 T CA -0.860 61.192 62.100 -0.080 0.000 1.008 13 T CB 0.682 69.559 68.868 0.014 0.000 1.129 13 T HN 0.272 nan 8.240 nan 0.000 0.480 14 W N 1.841 123.089 121.300 -0.086 0.000 2.338 14 W HA 0.560 5.220 4.660 0.001 0.000 0.307 14 W C 0.595 177.018 176.519 -0.160 0.000 1.167 14 W CA -0.703 56.504 57.345 -0.230 0.000 1.208 14 W CB 0.952 30.111 29.460 -0.502 0.000 1.228 14 W HN 0.624 nan 8.180 nan 0.000 0.499 15 K N 3.157 123.588 120.400 0.051 0.000 2.389 15 K HA 0.482 4.803 4.320 0.001 0.000 0.261 15 K C -0.825 175.790 176.600 0.025 0.000 1.014 15 K CA -0.186 56.118 56.287 0.029 0.000 0.920 15 K CB 1.068 33.560 32.500 -0.013 0.000 1.149 15 K HN 0.392 nan 8.250 nan 0.000 0.444 16 S N 2.577 118.313 115.700 0.059 0.000 2.541 16 S HA 0.595 5.065 4.470 0.001 0.000 0.280 16 S C -1.462 173.169 174.600 0.051 0.000 1.112 16 S CA -0.335 57.912 58.200 0.078 0.000 0.925 16 S CB 1.906 65.233 63.200 0.212 0.000 1.067 16 S HN 0.523 nan 8.310 nan 0.000 0.479 17 T N 4.165 118.730 114.554 0.017 0.000 3.071 17 T HA 0.385 4.736 4.350 0.001 0.000 0.311 17 T C -0.513 174.163 174.700 -0.039 0.000 1.042 17 T CA -0.659 61.430 62.100 -0.018 0.000 1.028 17 T CB 1.104 69.976 68.868 0.006 0.000 1.068 17 T HN 0.728 nan 8.240 nan 0.000 0.451 18 N N 1.550 120.181 118.700 -0.116 0.000 2.678 18 N HA -0.217 4.523 4.740 0.001 0.000 0.249 18 N C 0.163 175.694 175.510 0.034 0.000 1.119 18 N CA 1.291 54.298 53.050 -0.072 0.000 0.718 18 N CB -1.212 37.326 38.487 0.085 0.000 1.060 18 N HN 0.821 nan 8.380 nan 0.000 0.552 19 F N -3.925 116.075 119.950 0.083 0.000 2.277 19 F HA -0.252 4.275 4.527 0.001 0.000 0.483 19 F C 0.884 176.722 175.800 0.063 0.000 0.532 19 F CA 1.019 59.064 58.000 0.076 0.000 1.650 19 F CB -1.224 37.785 39.000 0.015 0.000 2.348 19 F HN 0.161 nan 8.300 nan 0.000 0.257 20 K N 2.591 123.076 120.400 0.142 0.000 2.228 20 K HA 0.391 4.711 4.320 0.001 0.000 0.284 20 K C -0.339 176.306 176.600 0.074 0.000 1.088 20 K CA 0.370 56.713 56.287 0.093 0.000 0.941 20 K CB 0.405 32.941 32.500 0.060 0.000 1.158 20 K HN 0.118 nan 8.250 nan 0.000 0.438 21 T N 5.319 119.921 114.554 0.081 0.000 2.795 21 T HA 0.461 4.812 4.350 0.001 0.000 0.282 21 T C -0.209 174.509 174.700 0.029 0.000 0.980 21 T CA -0.466 61.663 62.100 0.047 0.000 1.012 21 T CB 0.632 69.528 68.868 0.047 0.000 0.936 21 T HN 0.472 nan 8.240 nan 0.000 0.457 22 I N 3.278 123.850 120.570 0.003 0.000 2.534 22 I HA 0.349 4.519 4.170 0.001 0.000 0.288 22 I C -1.026 175.035 176.117 -0.094 0.000 1.077 22 I CA -0.995 60.284 61.300 -0.034 0.000 1.051 22 I CB 2.149 40.121 38.000 -0.046 0.000 1.234 22 I HN 0.361 nan 8.210 nan 0.000 0.425 23 L N 6.817 127.948 121.223 -0.153 0.000 2.312 23 L HA 0.484 4.825 4.340 0.001 0.000 0.281 23 L C -0.361 176.422 176.870 -0.145 0.000 1.070 23 L CA 0.516 55.188 54.840 -0.281 0.000 0.805 23 L CB 0.852 42.667 42.059 -0.405 0.000 1.174 23 L HN 0.551 nan 8.230 nan 0.000 0.434 24 E N 3.316 123.413 120.200 -0.171 0.000 2.299 24 E HA 0.632 4.983 4.350 0.001 0.000 0.265 24 E C -1.760 174.790 176.600 -0.085 0.000 0.911 24 E CA -0.507 55.729 56.400 -0.273 0.000 0.789 24 E CB 2.021 31.564 29.700 -0.261 0.000 1.246 24 E HN 0.657 nan 8.360 nan 0.000 0.427 25 W N -0.011 121.120 121.300 -0.282 0.000 2.895 25 W HA 0.558 5.218 4.660 0.001 0.000 0.377 25 W C -1.451 174.858 176.519 -0.350 0.000 1.191 25 W CA -0.666 56.479 57.345 -0.334 0.000 1.179 25 W CB 0.669 29.873 29.460 -0.428 0.000 1.469 25 W HN 0.272 nan 8.180 nan 0.000 0.577 26 E N 1.401 121.475 120.200 -0.211 0.000 2.369 26 E HA 0.535 4.886 4.350 0.001 0.000 0.270 26 E C -2.589 173.735 176.600 -0.461 0.000 0.909 26 E CA -2.092 54.080 56.400 -0.379 0.000 0.775 26 E CB 3.564 32.982 29.700 -0.469 0.000 1.270 26 E HN 0.161 nan 8.360 nan 0.000 0.445 27 P HA 0.247 nan 4.420 nan 0.000 0.288 27 P C -1.296 176.057 177.300 0.089 0.000 1.297 27 P CA -0.820 62.244 63.100 -0.060 0.000 0.864 27 P CB 1.142 32.866 31.700 0.040 0.000 1.237 28 K N 1.763 122.193 120.400 0.050 0.000 2.402 28 K HA 0.208 4.529 4.320 0.001 0.000 0.285 28 K C -1.597 175.075 176.600 0.121 0.000 1.054 28 K CA -1.171 55.161 56.287 0.075 0.000 1.001 28 K CB -0.656 31.858 32.500 0.023 0.000 0.946 28 K HN 0.413 nan 8.250 nan 0.000 0.473 29 P HA 0.016 nan 4.420 nan 0.000 0.271 29 P C -0.682 176.636 177.300 0.030 0.000 1.218 29 P CA -0.365 62.777 63.100 0.071 0.000 0.780 29 P CB 0.914 32.581 31.700 -0.055 0.000 0.901 30 V N -1.228 118.696 119.914 0.016 0.000 2.482 30 V HA 0.428 4.549 4.120 0.001 0.000 0.295 30 V C -0.098 175.997 176.094 0.002 0.000 1.026 30 V CA -0.999 61.309 62.300 0.014 0.000 0.856 30 V CB 0.912 32.749 31.823 0.024 0.000 1.001 30 V HN 0.617 nan 8.190 nan 0.000 0.424 31 N N 2.394 121.093 118.700 -0.002 0.000 2.725 31 N HA -0.206 4.534 4.740 0.001 0.000 0.251 31 N C -0.274 175.228 175.510 -0.014 0.000 1.031 31 N CA 1.472 54.520 53.050 -0.003 0.000 0.720 31 N CB -0.655 37.835 38.487 0.005 0.000 0.930 31 N HN 1.026 nan 8.380 nan 0.000 0.543 32 Q N -1.189 118.584 119.800 -0.046 0.000 2.534 32 Q HA 0.741 5.082 4.340 0.001 0.000 0.290 32 Q C -1.596 174.306 176.000 -0.163 0.000 0.991 32 Q CA -0.726 55.015 55.803 -0.103 0.000 0.783 32 Q CB 2.856 31.495 28.738 -0.166 0.000 1.470 32 Q HN 0.044 nan 8.270 nan 0.000 0.406 33 V N 1.390 121.186 119.914 -0.196 0.000 3.012 33 V HA 0.522 4.642 4.120 0.001 0.000 0.307 33 V C -1.949 174.070 176.094 -0.125 0.000 1.166 33 V CA -0.527 61.712 62.300 -0.101 0.000 0.974 33 V CB 2.112 34.034 31.823 0.166 0.000 1.040 33 V HN 0.683 nan 8.190 nan 0.000 0.428 34 Y N 1.463 121.910 120.300 0.246 0.000 2.393 34 Y HA 0.712 5.262 4.550 0.001 0.000 0.341 34 Y C 0.432 176.379 175.900 0.079 0.000 0.988 34 Y CA -0.882 57.294 58.100 0.127 0.000 1.078 34 Y CB 2.390 40.926 38.460 0.126 0.000 1.203 34 Y HN 0.476 nan 8.280 nan 0.000 0.453 35 T N 3.398 118.065 114.554 0.189 0.000 2.809 35 T HA 0.526 4.877 4.350 0.001 0.000 0.284 35 T C -0.929 173.726 174.700 -0.074 0.000 0.992 35 T CA -0.618 61.488 62.100 0.010 0.000 0.957 35 T CB 0.714 69.609 68.868 0.045 0.000 0.942 35 T HN 0.294 nan 8.240 nan 0.000 0.439 36 V N 5.418 125.220 119.914 -0.188 0.000 2.398 36 V HA 0.514 4.634 4.120 0.001 0.000 0.286 36 V C -0.027 175.987 176.094 -0.132 0.000 1.026 36 V CA -0.878 61.291 62.300 -0.218 0.000 0.868 36 V CB 1.271 32.958 31.823 -0.227 0.000 0.982 36 V HN 0.894 nan 8.190 nan 0.000 0.443 37 Q N 4.581 124.367 119.800 -0.024 0.000 2.377 37 Q HA 0.856 5.197 4.340 0.001 0.000 0.271 37 Q C -1.072 175.168 176.000 0.399 0.000 1.077 37 Q CA -0.773 55.129 55.803 0.166 0.000 0.820 37 Q CB 3.242 32.125 28.738 0.242 0.000 1.347 37 Q HN 0.690 nan 8.270 nan 0.000 0.444 38 I N 0.942 121.727 120.570 0.358 0.000 2.934 38 I HA 0.689 4.860 4.170 0.001 0.000 0.306 38 I C -1.373 174.724 176.117 -0.033 0.000 1.110 38 I CA -0.516 60.920 61.300 0.228 0.000 1.019 38 I CB 2.403 40.488 38.000 0.142 0.000 1.227 38 I HN 1.031 nan 8.210 nan 0.000 0.434 39 S N 2.608 118.130 115.700 -0.298 0.000 2.588 39 S HA 0.411 4.882 4.470 0.001 0.000 0.269 39 S C -0.657 173.832 174.600 -0.185 0.000 1.157 39 S CA -0.650 57.293 58.200 -0.429 0.000 0.824 39 S CB 1.543 64.057 63.200 -1.144 0.000 1.126 39 S HN 0.752 nan 8.310 nan 0.000 0.464 40 T N 0.187 114.659 114.554 -0.136 0.000 2.882 40 T HA 0.342 4.692 4.350 0.001 0.000 0.287 40 T C 1.281 175.864 174.700 -0.196 0.000 1.014 40 T CA -0.315 61.696 62.100 -0.148 0.000 1.049 40 T CB 0.400 69.170 68.868 -0.164 0.000 1.001 40 T HN 0.694 nan 8.240 nan 0.000 0.525 41 K N 1.186 121.477 120.400 -0.181 0.000 2.207 41 K HA -0.121 4.199 4.320 0.001 0.000 0.208 41 K C 0.954 177.492 176.600 -0.103 0.000 1.046 41 K CA 1.868 58.081 56.287 -0.123 0.000 0.929 41 K CB -0.146 32.289 32.500 -0.108 0.000 0.720 41 K HN 0.483 nan 8.250 nan 0.000 0.463 42 S N -0.960 114.672 115.700 -0.112 0.000 3.031 42 S HA 0.200 4.670 4.470 0.001 0.000 0.253 42 S C 0.085 174.633 174.600 -0.087 0.000 0.996 42 S CA -0.380 57.773 58.200 -0.079 0.000 1.098 42 S CB 1.604 64.772 63.200 -0.053 0.000 1.042 42 S HN 0.413 nan 8.310 nan 0.000 0.593 43 G N 0.655 109.372 108.800 -0.137 0.000 2.828 43 G HA2 0.563 4.524 3.960 0.001 0.000 0.244 43 G HA3 0.563 4.524 3.960 0.001 0.000 0.244 43 G C -1.139 173.659 174.900 -0.169 0.000 1.365 43 G CA -0.445 44.581 45.100 -0.122 0.000 1.041 43 G HN 0.149 nan 8.290 nan 0.000 0.560 44 D N -0.998 119.331 120.400 -0.119 0.000 2.340 44 D HA 0.294 4.935 4.640 0.001 0.000 0.251 44 D C -0.645 175.556 176.300 -0.166 0.000 1.080 44 D CA -0.013 53.942 54.000 -0.074 0.000 0.971 44 D CB 1.118 41.939 40.800 0.036 0.000 1.137 44 D HN 0.283 nan 8.370 nan 0.000 0.475 45 W N 0.784 122.110 121.300 0.044 0.000 2.261 45 W HA 0.283 4.944 4.660 0.001 0.000 0.323 45 W C 0.735 177.278 176.519 0.042 0.000 1.243 45 W CA -0.424 56.948 57.345 0.044 0.000 1.210 45 W CB 0.657 30.140 29.460 0.038 0.000 1.149 45 W HN 0.089 nan 8.180 nan 0.000 0.562 46 K N 1.766 122.322 120.400 0.260 0.000 2.471 46 K HA 0.502 4.823 4.320 0.001 0.000 0.252 46 K C -0.826 175.855 176.600 0.135 0.000 0.938 46 K CA -0.498 55.887 56.287 0.164 0.000 0.796 46 K CB 1.260 33.821 32.500 0.102 0.000 1.161 46 K HN 0.311 nan 8.250 nan 0.000 0.425 47 S N 3.415 119.157 115.700 0.071 0.000 2.499 47 S HA 0.145 4.616 4.470 0.001 0.000 0.275 47 S C 0.328 174.794 174.600 -0.224 0.000 1.257 47 S CA -0.527 57.595 58.200 -0.130 0.000 1.050 47 S CB 1.382 64.438 63.200 -0.240 0.000 0.937 47 S HN 0.728 nan 8.310 nan 0.000 0.490 48 K N 1.214 121.447 120.400 -0.278 0.000 2.367 48 K HA 0.314 4.635 4.320 0.001 0.000 0.198 48 K C -0.398 176.045 176.600 -0.263 0.000 1.132 48 K CA 0.427 56.607 56.287 -0.179 0.000 0.941 48 K CB 0.553 33.019 32.500 -0.057 0.000 1.052 48 K HN 0.623 nan 8.250 nan 0.000 0.507 49 c N 1.846 120.238 118.600 -0.347 0.000 2.301 49 c HA 0.551 5.122 4.570 0.001 0.000 0.323 49 c C -1.039 172.807 174.090 -0.406 0.000 1.265 49 c CA -1.094 55.103 56.329 -0.219 0.000 1.503 49 c CB -0.697 41.798 42.510 -0.025 0.000 2.195 49 c HN 0.204 nan 8.230 nan 0.000 0.477 50 F N 2.048 121.982 119.950 -0.027 0.000 2.399 50 F HA 0.394 4.921 4.527 0.001 0.000 0.334 50 F C 0.412 176.161 175.800 -0.085 0.000 1.097 50 F CA -0.661 57.235 58.000 -0.174 0.000 1.076 50 F CB 0.387 39.333 39.000 -0.091 0.000 1.162 50 F HN 0.615 nan 8.300 nan 0.000 0.495 51 Y N 0.296 120.775 120.300 0.298 0.000 3.015 51 Y HA -0.261 4.290 4.550 0.001 0.000 0.216 51 Y C 0.640 176.648 175.900 0.180 0.000 1.134 51 Y CA 0.550 58.771 58.100 0.201 0.000 0.783 51 Y CB -1.992 36.533 38.460 0.108 0.000 1.133 51 Y HN 0.561 nan 8.280 nan 0.000 0.422 52 T N -0.397 114.323 114.554 0.276 0.000 2.940 52 T HA 0.534 4.884 4.350 0.001 0.000 0.288 52 T C 0.993 175.846 174.700 0.254 0.000 1.033 52 T CA -0.056 62.195 62.100 0.251 0.000 1.033 52 T CB 1.133 70.147 68.868 0.244 0.000 1.079 52 T HN 0.385 nan 8.240 nan 0.000 0.496 53 T N 0.045 114.715 114.554 0.194 0.000 3.134 53 T HA 0.317 4.668 4.350 0.001 0.000 0.260 53 T C 0.205 175.018 174.700 0.188 0.000 1.027 53 T CA -0.452 61.744 62.100 0.159 0.000 0.913 53 T CB 0.036 68.957 68.868 0.088 0.000 1.046 53 T HN 0.453 nan 8.240 nan 0.000 0.553 54 D N 2.444 122.970 120.400 0.210 0.000 2.348 54 D HA 0.278 4.919 4.640 0.001 0.000 0.249 54 D C 0.607 176.927 176.300 0.034 0.000 1.110 54 D CA 0.056 54.109 54.000 0.088 0.000 0.967 54 D CB 1.860 42.689 40.800 0.048 0.000 1.139 54 D HN 0.307 nan 8.370 nan 0.000 0.466 55 T N -2.390 111.943 114.554 -0.369 0.000 3.215 55 T HA 0.226 4.576 4.350 0.001 0.000 0.271 55 T C 0.203 173.925 174.700 -1.631 0.000 1.012 55 T CA -0.588 60.821 62.100 -1.152 0.000 0.899 55 T CB -0.020 68.336 68.868 -0.854 0.000 1.089 55 T HN 0.530 nan 8.240 nan 0.000 0.552 56 E N -0.474 119.172 120.200 -0.923 0.000 2.366 56 E HA 0.615 4.966 4.350 0.001 0.000 0.278 56 E C -1.834 174.690 176.600 -0.127 0.000 0.923 56 E CA -1.251 54.815 56.400 -0.558 0.000 0.761 56 E CB 1.723 31.220 29.700 -0.339 0.000 1.231 56 E HN 0.112 nan 8.360 nan 0.000 0.443 57 c N 2.681 121.286 118.600 0.009 0.000 2.505 57 c HA 0.360 4.931 4.570 0.001 0.000 0.342 57 c C -1.079 173.022 174.090 0.017 0.000 1.121 57 c CA -0.599 55.776 56.329 0.076 0.000 1.306 57 c CB 0.736 43.349 42.510 0.171 0.000 1.897 57 c HN 0.863 nan 8.230 nan 0.000 0.446 58 D N 3.953 124.362 120.400 0.015 0.000 2.343 58 D HA 0.258 4.898 4.640 0.001 0.000 0.255 58 D C 0.343 176.656 176.300 0.021 0.000 1.187 58 D CA 0.222 54.231 54.000 0.014 0.000 0.875 58 D CB 0.908 41.719 40.800 0.019 0.000 1.136 58 D HN 0.723 nan 8.370 nan 0.000 0.469 59 L N 3.084 124.322 121.223 0.025 0.000 2.959 59 L HA 0.061 4.402 4.340 0.001 0.000 0.259 59 L C 2.158 179.038 176.870 0.016 0.000 1.185 59 L CA -0.233 54.622 54.840 0.025 0.000 0.998 59 L CB 0.343 42.431 42.059 0.048 0.000 1.337 59 L HN 0.312 nan 8.230 nan 0.000 0.555 60 T N 0.022 114.594 114.554 0.030 0.000 2.620 60 T HA -0.252 4.099 4.350 0.001 0.000 0.267 60 T C 1.355 176.065 174.700 0.017 0.000 1.044 60 T CA 2.175 64.296 62.100 0.036 0.000 1.161 60 T CB -0.219 68.674 68.868 0.042 0.000 0.862 60 T HN 0.440 nan 8.240 nan 0.000 0.438 61 D N 1.170 121.581 120.400 0.019 0.000 2.126 61 D HA -0.154 4.486 4.640 0.001 0.000 0.190 61 D C 2.149 178.454 176.300 0.008 0.000 1.001 61 D CA 1.167 55.180 54.000 0.022 0.000 0.841 61 D CB -0.245 40.575 40.800 0.034 0.000 0.949 61 D HN 0.429 nan 8.370 nan 0.000 0.446 62 E N 0.630 120.823 120.200 -0.013 0.000 2.152 62 E HA -0.092 4.258 4.350 0.001 0.000 0.192 62 E C 2.548 179.088 176.600 -0.100 0.000 0.983 62 E CA 0.302 56.681 56.400 -0.034 0.000 0.818 62 E CB -0.257 29.416 29.700 -0.045 0.000 0.758 62 E HN 0.554 nan 8.360 nan 0.000 0.467 63 I N -0.614 119.851 120.570 -0.176 0.000 2.286 63 I HA -0.140 4.030 4.170 0.001 0.000 0.245 63 I C 2.167 178.300 176.117 0.027 0.000 1.104 63 I CA 0.832 61.990 61.300 -0.236 0.000 1.397 63 I CB -0.814 37.050 38.000 -0.226 0.000 1.072 63 I HN -0.096 nan 8.210 nan 0.000 0.417 64 V N -0.907 119.018 119.914 0.019 0.000 3.488 64 V HA 0.009 4.130 4.120 0.001 0.000 0.273 64 V C 1.843 177.929 176.094 -0.013 0.000 1.209 64 V CA 1.084 63.373 62.300 -0.018 0.000 1.179 64 V CB -1.901 29.881 31.823 -0.067 0.000 0.842 64 V HN 0.463 nan 8.190 nan 0.000 0.515 65 K N 0.922 121.345 120.400 0.038 0.000 2.418 65 K HA 0.104 4.425 4.320 0.001 0.000 0.195 65 K C 0.266 176.894 176.600 0.046 0.000 1.035 65 K CA 0.939 57.253 56.287 0.044 0.000 1.003 65 K CB 0.106 32.648 32.500 0.070 0.000 0.793 65 K HN 0.643 nan 8.250 nan 0.000 0.494 66 D N -0.569 119.877 120.400 0.076 0.000 2.540 66 D HA -0.070 4.570 4.640 0.001 0.000 0.194 66 D C 0.562 176.919 176.300 0.095 0.000 1.291 66 D CA -0.197 53.829 54.000 0.043 0.000 1.158 66 D CB 0.325 41.142 40.800 0.028 0.000 1.474 66 D HN -0.121 nan 8.370 nan 0.000 0.578 67 V N 1.373 121.311 119.914 0.039 0.000 2.828 67 V HA -0.073 4.048 4.120 0.001 0.000 0.260 67 V C 1.386 177.560 176.094 0.132 0.000 1.101 67 V CA 1.219 63.599 62.300 0.132 0.000 1.123 67 V CB -0.437 31.419 31.823 0.055 0.000 0.704 67 V HN 0.404 nan 8.190 nan 0.000 0.493 68 K N 0.360 120.754 120.400 -0.010 0.000 2.469 68 K HA 0.218 4.539 4.320 0.001 0.000 0.201 68 K C 0.659 177.193 176.600 -0.109 0.000 1.028 68 K CA -0.141 56.106 56.287 -0.066 0.000 1.170 68 K CB 0.270 32.659 32.500 -0.185 0.000 0.874 68 K HN 0.644 nan 8.250 nan 0.000 0.507 69 Q N 0.478 120.182 119.800 -0.160 0.000 2.215 69 Q HA 0.169 4.509 4.340 0.001 0.000 0.256 69 Q C -0.888 174.800 176.000 -0.520 0.000 0.972 69 Q CA -0.077 55.506 55.803 -0.368 0.000 0.889 69 Q CB 1.535 29.962 28.738 -0.518 0.000 1.281 69 Q HN -0.156 nan 8.270 nan 0.000 0.456 70 T N 3.669 117.942 114.554 -0.468 0.000 2.744 70 T HA 0.442 4.792 4.350 0.001 0.000 0.291 70 T C -1.135 173.315 174.700 -0.416 0.000 0.957 70 T CA 0.006 61.898 62.100 -0.347 0.000 1.002 70 T CB -0.056 68.704 68.868 -0.180 0.000 0.919 70 T HN 0.376 nan 8.240 nan 0.000 0.468 71 Y N 2.943 123.223 120.300 -0.034 0.000 2.487 71 Y HA 0.736 5.286 4.550 0.001 0.000 0.337 71 Y C 0.144 176.114 175.900 0.116 0.000 1.076 71 Y CA -1.498 56.616 58.100 0.023 0.000 1.115 71 Y CB 1.281 39.780 38.460 0.066 0.000 1.235 71 Y HN 0.500 nan 8.280 nan 0.000 0.468 72 L N 0.111 121.547 121.223 0.354 0.000 2.445 72 L HA 1.090 5.431 4.340 0.001 0.000 0.262 72 L C -1.075 176.048 176.870 0.423 0.000 0.974 72 L CA -1.104 53.992 54.840 0.427 0.000 0.822 72 L CB 2.045 44.272 42.059 0.281 0.000 1.339 72 L HN 0.619 nan 8.230 nan 0.000 0.409 73 A N 2.395 125.492 122.820 0.462 0.000 2.346 73 A HA 0.965 5.285 4.320 0.001 0.000 0.313 73 A C -0.837 176.883 177.584 0.227 0.000 1.140 73 A CA -0.825 51.403 52.037 0.318 0.000 0.826 73 A CB 1.913 20.900 19.000 -0.022 0.000 1.332 73 A HN 0.915 nan 8.150 nan 0.000 0.457 74 R N -0.038 120.503 120.500 0.069 0.000 2.651 74 R HA 0.636 4.977 4.340 0.001 0.000 0.278 74 R C -2.320 173.701 176.300 -0.466 0.000 1.010 74 R CA -0.391 55.539 56.100 -0.283 0.000 0.896 74 R CB 2.114 32.028 30.300 -0.645 0.000 1.211 74 R HN 0.528 nan 8.270 nan 0.000 0.456 75 V N 4.614 124.167 119.914 -0.602 0.000 2.444 75 V HA 0.501 4.621 4.120 0.001 0.000 0.294 75 V C -0.818 174.879 176.094 -0.662 0.000 1.022 75 V CA -0.625 61.262 62.300 -0.688 0.000 0.850 75 V CB 1.318 32.579 31.823 -0.936 0.000 0.992 75 V HN 0.573 nan 8.190 nan 0.000 0.426 76 F N 1.758 121.522 119.950 -0.310 0.000 2.399 76 F HA 0.635 5.163 4.527 0.001 0.000 0.328 76 F C 0.834 176.444 175.800 -0.317 0.000 1.084 76 F CA -0.169 57.647 58.000 -0.306 0.000 1.053 76 F CB 1.957 40.721 39.000 -0.394 0.000 1.209 76 F HN 0.390 nan 8.300 nan 0.000 0.502 77 S N 1.706 117.289 115.700 -0.195 0.000 2.519 77 S HA 0.629 5.100 4.470 0.001 0.000 0.309 77 S C -1.622 172.751 174.600 -0.377 0.000 1.100 77 S CA -0.659 57.436 58.200 -0.176 0.000 1.059 77 S CB 0.756 63.952 63.200 -0.006 0.000 1.008 77 S HN 0.349 nan 8.310 nan 0.000 0.478 78 Y N 2.315 122.658 120.300 0.072 0.000 2.485 78 Y HA 0.539 5.089 4.550 0.001 0.000 0.345 78 Y C -2.400 173.505 175.900 0.010 0.000 0.998 78 Y CA -2.542 55.597 58.100 0.065 0.000 1.059 78 Y CB 1.270 39.804 38.460 0.122 0.000 1.234 78 Y HN 0.387 nan 8.280 nan 0.000 0.461 79 P HA 0.415 nan 4.420 nan 0.000 0.275 79 P C -1.172 176.169 177.300 0.068 0.000 1.228 79 P CA -0.093 63.057 63.100 0.084 0.000 0.786 79 P CB 1.629 33.371 31.700 0.070 0.000 0.927 80 A N 1.723 124.562 122.820 0.031 0.000 2.454 80 A HA 0.821 5.142 4.320 0.001 0.000 0.302 80 A C 0.275 177.860 177.584 0.000 0.000 1.079 80 A CA -0.122 51.923 52.037 0.013 0.000 0.731 80 A CB 1.152 20.160 19.000 0.013 0.000 1.299 80 A HN 0.876 nan 8.150 nan 0.000 0.413 81 G N 0.752 109.545 108.800 -0.011 0.000 2.642 81 G HA2 -0.228 3.733 3.960 0.001 0.000 0.231 81 G HA3 -0.228 3.733 3.960 0.001 0.000 0.231 81 G C -0.037 174.856 174.900 -0.012 0.000 1.338 81 G CA 0.020 45.113 45.100 -0.012 0.000 0.883 81 G HN 1.249 nan 8.290 nan 0.000 0.570 82 N N -0.269 118.425 118.700 -0.009 0.000 2.402 82 N HA 0.459 5.200 4.740 0.001 0.000 0.252 82 N C -0.119 175.388 175.510 -0.004 0.000 1.118 82 N CA 0.186 53.231 53.050 -0.009 0.000 0.945 82 N CB 0.711 39.193 38.487 -0.008 0.000 1.147 82 N HN 0.916 nan 8.380 nan 0.000 0.495 92 P HA 0.144 nan 4.420 nan 0.000 0.244 92 P C -0.696 176.780 177.300 0.294 0.000 1.723 92 P CA -0.090 63.157 63.100 0.244 0.000 1.110 92 P CB -0.286 31.557 31.700 0.238 0.000 1.972 93 L N 4.762 126.084 121.223 0.165 0.000 2.265 93 L HA 0.395 4.736 4.340 0.001 0.000 0.288 93 L C -0.134 176.759 176.870 0.039 0.000 1.058 93 L CA -0.504 54.352 54.840 0.027 0.000 0.809 93 L CB 0.239 42.288 42.059 -0.017 0.000 1.179 93 L HN 0.265 nan 8.230 nan 0.000 0.429 94 Y N 2.248 122.421 120.300 -0.213 0.000 2.725 94 Y HA 0.839 5.389 4.550 0.001 0.000 0.333 94 Y C -1.283 174.405 175.900 -0.353 0.000 1.242 94 Y CA -1.136 56.684 58.100 -0.467 0.000 1.059 94 Y CB 1.274 39.136 38.460 -0.997 0.000 1.306 94 Y HN 0.415 nan 8.280 nan 0.000 0.454 95 E N 0.737 120.823 120.200 -0.190 0.000 2.390 95 E HA 0.379 4.730 4.350 0.001 0.000 0.277 95 E C -2.008 174.535 176.600 -0.095 0.000 0.939 95 E CA -0.836 55.469 56.400 -0.158 0.000 0.769 95 E CB 2.347 31.944 29.700 -0.171 0.000 1.251 95 E HN 0.895 nan 8.360 nan 0.000 0.450 96 N N -0.153 118.535 118.700 -0.020 0.000 2.466 96 N HA 0.421 5.162 4.740 0.001 0.000 0.294 96 N C -0.515 175.012 175.510 0.029 0.000 1.129 96 N CA -0.458 52.608 53.050 0.027 0.000 0.931 96 N CB 1.378 39.932 38.487 0.112 0.000 1.193 96 N HN 0.387 nan 8.380 nan 0.000 0.500 97 S N 0.331 116.073 115.700 0.069 0.000 2.713 97 S HA 0.604 5.074 4.470 0.001 0.000 0.283 97 S C -2.471 172.277 174.600 0.245 0.000 1.161 97 S CA -1.183 57.071 58.200 0.090 0.000 0.999 97 S CB 1.213 64.385 63.200 -0.047 0.000 1.039 97 S HN 0.353 nan 8.310 nan 0.000 0.548 98 P HA 0.273 nan 4.420 nan 0.000 0.276 98 P C -0.676 176.886 177.300 0.437 0.000 1.261 98 P CA -0.501 62.792 63.100 0.321 0.000 0.800 98 P CB 0.388 32.264 31.700 0.293 0.000 1.066 99 E N -0.164 120.195 120.200 0.264 0.000 2.390 99 E HA 0.284 4.635 4.350 0.001 0.000 0.261 99 E C -0.850 175.804 176.600 0.089 0.000 1.076 99 E CA 0.132 56.646 56.400 0.189 0.000 0.905 99 E CB 0.343 30.096 29.700 0.089 0.000 0.984 99 E HN 0.370 nan 8.360 nan 0.000 0.427 100 F N 0.813 120.589 119.950 -0.289 0.000 2.585 100 F HA 0.220 4.748 4.527 0.001 0.000 0.319 100 F C -1.131 174.506 175.800 -0.271 0.000 1.165 100 F CA -0.432 57.234 58.000 -0.556 0.000 0.949 100 F CB 1.730 39.754 39.000 -1.627 0.000 1.218 100 F HN 0.152 nan 8.300 nan 0.000 0.453 101 T N 8.182 122.353 114.554 -0.639 0.000 2.874 101 T HA 0.241 4.592 4.350 0.001 0.000 0.321 101 T C -2.036 172.255 174.700 -0.681 0.000 1.075 101 T CA -1.314 60.522 62.100 -0.440 0.000 0.966 101 T CB 1.248 69.970 68.868 -0.243 0.000 1.001 101 T HN 0.345 nan 8.240 nan 0.000 0.476 102 P HA -0.253 nan 4.420 nan 0.000 0.218 102 P C 1.136 178.379 177.300 -0.095 0.000 1.165 102 P CA 1.148 64.041 63.100 -0.345 0.000 0.922 102 P CB 0.006 31.848 31.700 0.238 0.000 0.794 103 Y N -0.039 120.282 120.300 0.036 0.000 2.114 103 Y HA -0.209 4.341 4.550 0.001 0.000 0.282 103 Y C 2.140 178.090 175.900 0.084 0.000 1.165 103 Y CA 1.642 59.851 58.100 0.183 0.000 1.148 103 Y CB -1.083 37.465 38.460 0.147 0.000 0.972 103 Y HN -0.175 nan 8.280 nan 0.000 0.504 104 L N -0.629 120.564 121.223 -0.050 0.000 2.313 104 L HA -0.077 4.264 4.340 0.001 0.000 0.214 104 L C 1.334 178.077 176.870 -0.212 0.000 1.119 104 L CA 1.374 56.129 54.840 -0.143 0.000 0.809 104 L CB -0.198 41.806 42.059 -0.092 0.000 0.933 104 L HN 0.255 nan 8.230 nan 0.000 0.449 105 E N -2.180 117.843 120.200 -0.294 0.000 2.641 105 E HA 0.072 4.423 4.350 0.001 0.000 0.224 105 E C 0.505 177.013 176.600 -0.154 0.000 0.951 105 E CA -0.111 56.144 56.400 -0.241 0.000 1.102 105 E CB 0.672 30.211 29.700 -0.268 0.000 1.091 105 E HN 0.030 nan 8.360 nan 0.000 0.507 106 T N 1.514 115.939 114.554 -0.215 0.000 2.901 106 T HA 0.070 4.421 4.350 0.001 0.000 0.301 106 T C 0.211 174.821 174.700 -0.150 0.000 1.012 106 T CA -0.341 61.670 62.100 -0.147 0.000 1.135 106 T CB 0.280 68.900 68.868 -0.415 0.000 0.936 106 T HN 0.001 nan 8.240 nan 0.000 0.539 107 N N 3.560 122.213 118.700 -0.079 0.000 2.508 107 N HA 0.123 4.864 4.740 0.001 0.000 0.264 107 N C -0.563 174.891 175.510 -0.092 0.000 1.216 107 N CA -0.482 52.523 53.050 -0.076 0.000 0.943 107 N CB 0.572 39.041 38.487 -0.030 0.000 1.113 107 N HN 0.381 nan 8.380 nan 0.000 0.447 108 L N 1.584 122.751 121.223 -0.093 0.000 2.290 108 L HA 0.283 4.624 4.340 0.001 0.000 0.284 108 L C 1.319 178.175 176.870 -0.022 0.000 1.078 108 L CA -0.058 54.744 54.840 -0.063 0.000 0.815 108 L CB 0.451 42.441 42.059 -0.115 0.000 1.162 108 L HN 0.525 nan 8.230 nan 0.000 0.435 109 G N 2.487 111.296 108.800 0.014 0.000 2.606 109 G HA2 0.157 4.117 3.960 0.001 0.000 0.252 109 G HA3 0.157 4.117 3.960 0.001 0.000 0.252 109 G C -0.256 174.669 174.900 0.040 0.000 1.206 109 G CA -0.497 44.620 45.100 0.028 0.000 0.861 109 G HN 0.656 nan 8.290 nan 0.000 0.561 110 Q N 0.581 120.407 119.800 0.043 0.000 2.263 110 Q HA 0.107 4.447 4.340 0.001 0.000 0.289 110 Q C -1.884 174.166 176.000 0.083 0.000 1.061 110 Q CA -0.934 54.902 55.803 0.056 0.000 0.927 110 Q CB 0.443 29.211 28.738 0.049 0.000 1.154 110 Q HN 0.218 nan 8.270 nan 0.000 0.378 111 P HA 0.197 nan 4.420 nan 0.000 0.275 111 P C -1.381 175.997 177.300 0.130 0.000 1.266 111 P CA -0.336 62.858 63.100 0.156 0.000 0.793 111 P CB 0.876 32.713 31.700 0.228 0.000 1.074 112 T N -2.695 111.937 114.554 0.130 0.000 3.109 112 T HA 0.532 4.882 4.350 0.001 0.000 0.311 112 T C -0.266 174.479 174.700 0.075 0.000 1.011 112 T CA -0.688 61.468 62.100 0.094 0.000 1.026 112 T CB -0.015 68.896 68.868 0.072 0.000 1.047 112 T HN 0.153 nan 8.240 nan 0.000 0.448 113 I N 3.788 124.400 120.570 0.070 0.000 2.483 113 I HA 0.126 4.297 4.170 0.001 0.000 0.291 113 I C 1.799 177.923 176.117 0.011 0.000 1.112 113 I CA -0.376 60.946 61.300 0.037 0.000 1.350 113 I CB 0.851 38.875 38.000 0.040 0.000 1.419 113 I HN 0.825 nan 8.210 nan 0.000 0.523 114 Q N 4.498 124.293 119.800 -0.010 0.000 2.036 114 Q HA 0.010 4.350 4.340 0.001 0.000 0.195 114 Q C 0.451 176.432 176.000 -0.032 0.000 0.971 114 Q CA 0.894 56.689 55.803 -0.015 0.000 0.826 114 Q CB 0.498 29.223 28.738 -0.021 0.000 0.896 114 Q HN 0.727 nan 8.270 nan 0.000 0.449 122 K N 1.288 121.695 120.400 0.012 0.000 2.468 122 K HA 0.721 5.041 4.320 0.001 0.000 0.252 122 K C -1.501 175.099 176.600 -0.000 0.000 0.932 122 K CA -0.757 55.533 56.287 0.005 0.000 0.794 122 K CB 3.316 35.817 32.500 0.002 0.000 1.241 122 K HN 0.075 nan 8.250 nan 0.000 0.428 123 V N 2.043 121.952 119.914 -0.009 0.000 2.495 123 V HA 0.314 4.434 4.120 0.001 0.000 0.298 123 V C -0.269 175.790 176.094 -0.058 0.000 1.031 123 V CA -1.045 61.238 62.300 -0.027 0.000 0.871 123 V CB 1.535 33.360 31.823 0.004 0.000 0.988 123 V HN 0.799 nan 8.190 nan 0.000 0.432 124 N N 3.494 122.148 118.700 -0.077 0.000 2.425 124 N HA 0.569 5.309 4.740 0.001 0.000 0.268 124 N C -1.295 174.132 175.510 -0.137 0.000 0.991 124 N CA -0.409 52.594 53.050 -0.078 0.000 0.931 124 N CB 1.701 40.151 38.487 -0.062 0.000 1.130 124 N HN 0.461 nan 8.380 nan 0.000 0.493 125 V N 2.567 122.415 119.914 -0.112 0.000 2.513 125 V HA 0.496 4.616 4.120 0.001 0.000 0.299 125 V C -0.045 176.033 176.094 -0.026 0.000 1.035 125 V CA -0.453 61.755 62.300 -0.153 0.000 0.889 125 V CB 1.631 33.340 31.823 -0.191 0.000 0.988 125 V HN 0.683 nan 8.190 nan 0.000 0.440 126 T N 3.236 117.749 114.554 -0.068 0.000 2.916 126 T HA 0.566 4.916 4.350 0.001 0.000 0.298 126 T C -0.602 174.053 174.700 -0.076 0.000 1.031 126 T CA -0.435 61.614 62.100 -0.085 0.000 0.993 126 T CB 1.891 70.699 68.868 -0.101 0.000 1.045 126 T HN 0.363 nan 8.240 nan 0.000 0.454 127 V N 2.411 122.247 119.914 -0.130 0.000 2.532 127 V HA 0.402 4.523 4.120 0.001 0.000 0.295 127 V C 0.616 176.637 176.094 -0.122 0.000 1.041 127 V CA -0.927 61.300 62.300 -0.123 0.000 0.926 127 V CB 1.618 33.286 31.823 -0.257 0.000 0.992 127 V HN 0.865 nan 8.190 nan 0.000 0.457 128 E N 2.108 122.283 120.200 -0.043 0.000 2.392 128 E HA 0.040 4.391 4.350 0.001 0.000 0.264 128 E C -1.009 175.588 176.600 -0.004 0.000 1.024 128 E CA -0.362 56.027 56.400 -0.018 0.000 0.903 128 E CB 0.819 30.530 29.700 0.017 0.000 0.963 128 E HN 0.726 nan 8.360 nan 0.000 0.432 129 D N 3.734 124.135 120.400 0.002 0.000 2.456 129 D HA 0.068 4.709 4.640 0.001 0.000 0.219 129 D C -0.466 175.872 176.300 0.064 0.000 1.126 129 D CA -0.157 53.864 54.000 0.036 0.000 0.890 129 D CB 0.473 41.284 40.800 0.019 0.000 1.025 129 D HN 0.345 nan 8.370 nan 0.000 0.511 130 E N 2.452 122.709 120.200 0.094 0.000 2.418 130 E HA 0.045 4.395 4.350 0.001 0.000 0.261 130 E C -0.002 176.651 176.600 0.089 0.000 1.070 130 E CA -0.324 56.132 56.400 0.093 0.000 0.931 130 E CB 0.801 30.566 29.700 0.108 0.000 0.954 130 E HN 0.352 nan 8.360 nan 0.000 0.439 131 R N 1.271 121.819 120.500 0.079 0.000 2.457 131 R HA 0.197 4.538 4.340 0.001 0.000 0.284 131 R C -0.007 176.313 176.300 0.033 0.000 1.024 131 R CA -0.107 56.034 56.100 0.068 0.000 1.025 131 R CB 1.089 31.449 30.300 0.100 0.000 1.063 131 R HN 0.709 nan 8.270 nan 0.000 0.493 132 T N -0.726 113.806 114.554 -0.037 0.000 2.844 132 T HA 0.330 4.680 4.350 0.001 0.000 0.274 132 T C 0.905 175.375 174.700 -0.384 0.000 0.991 132 T CA -0.823 61.215 62.100 -0.103 0.000 0.983 132 T CB 0.700 69.512 68.868 -0.094 0.000 1.310 132 T HN 0.508 nan 8.240 nan 0.000 0.596 133 L N 0.566 121.540 121.223 -0.415 0.000 2.640 133 L HA 0.325 4.665 4.340 0.001 0.000 0.230 133 L C 0.198 176.675 176.870 -0.654 0.000 1.123 133 L CA -0.338 54.070 54.840 -0.721 0.000 0.900 133 L CB 0.431 42.294 42.059 -0.326 0.000 1.146 133 L HN 0.449 nan 8.230 nan 0.000 0.484 139 T N -0.731 113.830 114.554 0.011 0.000 2.792 139 T HA 0.570 4.920 4.350 0.001 0.000 0.303 139 T C -1.622 173.191 174.700 0.189 0.000 1.310 139 T CA -0.262 61.838 62.100 0.001 0.000 1.007 139 T CB 0.598 69.468 68.868 0.004 0.000 1.335 139 T HN -0.068 nan 8.240 nan 0.000 0.504 140 F N 3.027 122.965 119.950 -0.020 0.000 2.404 140 F HA 0.472 4.999 4.527 0.001 0.000 0.358 140 F C 0.764 176.547 175.800 -0.030 0.000 1.120 140 F CA -1.729 56.256 58.000 -0.024 0.000 1.144 140 F CB 0.301 39.295 39.000 -0.010 0.000 1.133 140 F HN 0.418 nan 8.300 nan 0.000 0.495 141 L N 2.069 123.349 121.223 0.096 0.000 2.476 141 L HA 0.206 4.547 4.340 0.001 0.000 0.264 141 L C 0.783 177.647 176.870 -0.009 0.000 1.224 141 L CA 0.036 54.876 54.840 0.001 0.000 0.821 141 L CB 0.909 42.916 42.059 -0.087 0.000 1.101 141 L HN 0.579 nan 8.230 nan 0.000 0.488 142 S N -0.187 115.513 115.700 -0.001 0.000 2.689 142 S HA 0.299 4.769 4.470 0.001 0.000 0.306 142 S C 0.665 175.284 174.600 0.032 0.000 1.104 142 S CA -0.700 57.517 58.200 0.029 0.000 0.973 142 S CB 1.337 64.567 63.200 0.050 0.000 1.121 142 S HN 0.480 nan 8.310 nan 0.000 0.523 143 L N 2.161 123.444 121.223 0.100 0.000 2.013 143 L HA 0.040 4.380 4.340 0.001 0.000 0.212 143 L C 2.545 179.526 176.870 0.185 0.000 1.073 143 L CA 2.053 57.001 54.840 0.179 0.000 0.753 143 L CB -0.930 41.287 42.059 0.263 0.000 0.890 143 L HN 0.820 nan 8.230 nan 0.000 0.432 144 R N -0.368 120.229 120.500 0.163 0.000 2.189 144 R HA -0.091 4.249 4.340 0.001 0.000 0.218 144 R C 1.808 178.165 176.300 0.095 0.000 1.074 144 R CA 1.231 57.423 56.100 0.153 0.000 0.991 144 R CB -0.525 29.842 30.300 0.112 0.000 0.883 144 R HN 0.472 nan 8.270 nan 0.000 0.457 145 D N -0.914 119.515 120.400 0.048 0.000 2.162 145 D HA -0.069 4.571 4.640 0.001 0.000 0.203 145 D C 1.590 177.875 176.300 -0.025 0.000 0.967 145 D CA 1.303 55.309 54.000 0.009 0.000 0.840 145 D CB 0.335 41.130 40.800 -0.008 0.000 0.972 145 D HN 0.116 nan 8.370 nan 0.000 0.482 146 V N 0.580 120.447 119.914 -0.079 0.000 2.346 146 V HA -0.155 3.966 4.120 0.001 0.000 0.244 146 V C 2.025 178.046 176.094 -0.122 0.000 1.037 146 V CA 1.265 63.441 62.300 -0.207 0.000 1.029 146 V CB -0.486 31.076 31.823 -0.435 0.000 0.663 146 V HN 0.025 nan 8.190 nan 0.000 0.454 147 F N 0.417 120.485 119.950 0.196 0.000 2.387 147 F HA 0.456 4.983 4.527 0.001 0.000 0.294 147 F C 1.965 177.855 175.800 0.150 0.000 1.093 147 F CA 0.577 58.704 58.000 0.211 0.000 1.420 147 F CB -0.947 38.124 39.000 0.119 0.000 1.086 147 F HN 0.291 nan 8.300 nan 0.000 0.531 148 G N 0.583 109.539 108.800 0.260 0.000 2.602 148 G HA2 -0.477 3.484 3.960 0.001 0.000 0.310 148 G HA3 -0.477 3.484 3.960 0.001 0.000 0.310 148 G C 1.257 176.248 174.900 0.152 0.000 1.183 148 G CA 0.861 46.061 45.100 0.166 0.000 0.979 148 G HN 0.195 nan 8.290 nan 0.000 0.545 149 K N 0.755 121.227 120.400 0.120 0.000 2.228 149 K HA 0.118 4.438 4.320 0.001 0.000 0.202 149 K C 2.116 178.769 176.600 0.087 0.000 1.051 149 K CA 1.670 58.010 56.287 0.088 0.000 0.960 149 K CB -0.562 31.976 32.500 0.063 0.000 0.743 149 K HN 0.421 nan 8.250 nan 0.000 0.458 150 D N 0.156 120.629 120.400 0.122 0.000 2.158 150 D HA -0.157 4.483 4.640 0.001 0.000 0.197 150 D C 0.306 176.602 176.300 -0.007 0.000 0.995 150 D CA 0.689 54.737 54.000 0.081 0.000 0.846 150 D CB -0.124 40.778 40.800 0.169 0.000 0.941 150 D HN 0.101 nan 8.370 nan 0.000 0.456 151 L N 0.683 121.926 121.223 0.034 0.000 2.331 151 L HA 0.341 4.681 4.340 0.001 0.000 0.278 151 L C -0.457 176.411 176.870 -0.002 0.000 1.106 151 L CA 0.045 54.860 54.840 -0.042 0.000 0.824 151 L CB 0.623 42.728 42.059 0.077 0.000 1.142 151 L HN -0.137 nan 8.230 nan 0.000 0.443 152 I N 4.239 124.746 120.570 -0.105 0.000 2.828 152 I HA 0.370 4.540 4.170 0.001 0.000 0.302 152 I C -1.268 174.761 176.117 -0.148 0.000 1.101 152 I CA -0.765 60.523 61.300 -0.020 0.000 1.031 152 I CB 2.090 40.085 38.000 -0.008 0.000 1.231 152 I HN 0.492 nan 8.210 nan 0.000 0.427 153 Y N 1.556 121.907 120.300 0.086 0.000 2.509 153 Y HA 0.565 5.116 4.550 0.001 0.000 0.341 153 Y C -0.020 176.072 175.900 0.320 0.000 1.038 153 Y CA -0.646 57.583 58.100 0.215 0.000 1.089 153 Y CB 2.345 40.982 38.460 0.294 0.000 1.241 153 Y HN 0.304 nan 8.280 nan 0.000 0.468 154 T N 3.819 118.529 114.554 0.260 0.000 2.881 154 T HA 0.490 4.841 4.350 0.001 0.000 0.290 154 T C -1.664 172.802 174.700 -0.389 0.000 1.000 154 T CA -0.526 61.534 62.100 -0.067 0.000 0.978 154 T CB 1.267 70.029 68.868 -0.177 0.000 0.997 154 T HN 0.371 nan 8.240 nan 0.000 0.443 155 L N 3.467 124.287 121.223 -0.671 0.000 2.334 155 L HA 0.761 5.101 4.340 0.001 0.000 0.273 155 L C -1.863 174.706 176.870 -0.503 0.000 1.013 155 L CA -0.805 53.645 54.840 -0.649 0.000 0.816 155 L CB 0.984 42.447 42.059 -0.993 0.000 1.278 155 L HN 0.595 nan 8.230 nan 0.000 0.431 156 Y N 4.217 124.568 120.300 0.086 0.000 2.446 156 Y HA 0.690 5.240 4.550 0.001 0.000 0.345 156 Y C -0.617 175.421 175.900 0.231 0.000 0.984 156 Y CA -0.516 57.651 58.100 0.111 0.000 1.058 156 Y CB 1.679 40.148 38.460 0.015 0.000 1.220 156 Y HN 0.609 nan 8.280 nan 0.000 0.455 165 K N -0.546 119.792 120.400 -0.103 0.000 2.288 165 K HA 0.800 5.120 4.320 0.001 0.000 0.234 165 K C -0.422 176.052 176.600 -0.209 0.000 1.037 165 K CA -0.685 55.524 56.287 -0.131 0.000 0.914 165 K CB 1.651 34.113 32.500 -0.063 0.000 1.197 165 K HN 0.415 nan 8.250 nan 0.000 0.471 166 K N -0.388 119.750 120.400 -0.437 0.000 2.400 166 K HA 0.530 4.851 4.320 0.001 0.000 0.246 166 K C -1.265 175.023 176.600 -0.520 0.000 0.995 166 K CA -0.590 55.291 56.287 -0.676 0.000 0.840 166 K CB 1.820 33.504 32.500 -1.360 0.000 1.293 166 K HN 0.767 nan 8.250 nan 0.000 0.445 167 T N -1.482 112.932 114.554 -0.233 0.000 2.907 167 T HA 0.922 5.273 4.350 0.001 0.000 0.290 167 T C -1.058 173.729 174.700 0.145 0.000 1.066 167 T CA -0.922 61.160 62.100 -0.030 0.000 1.012 167 T CB 1.772 70.606 68.868 -0.058 0.000 1.184 167 T HN 0.578 nan 8.240 nan 0.000 0.522 168 A N 1.245 124.086 122.820 0.035 0.000 2.589 168 A HA 0.735 5.055 4.320 0.001 0.000 0.296 168 A C -1.320 176.333 177.584 0.114 0.000 1.062 168 A CA -1.102 50.990 52.037 0.092 0.000 0.686 168 A CB 1.465 20.513 19.000 0.080 0.000 1.282 168 A HN 0.834 nan 8.150 nan 0.000 0.404 169 K N 0.612 121.173 120.400 0.268 0.000 2.375 169 K HA 0.829 5.150 4.320 0.001 0.000 0.249 169 K C -1.091 175.715 176.600 0.343 0.000 0.942 169 K CA -0.621 55.870 56.287 0.340 0.000 0.806 169 K CB 2.354 34.946 32.500 0.153 0.000 1.227 169 K HN 0.647 nan 8.250 nan 0.000 0.430 170 T N -0.055 114.634 114.554 0.226 0.000 2.923 170 T HA 0.242 4.592 4.350 0.001 0.000 0.311 170 T C -0.380 174.295 174.700 -0.041 0.000 1.183 170 T CA -0.574 61.469 62.100 -0.095 0.000 1.020 170 T CB 1.428 69.897 68.868 -0.665 0.000 1.165 170 T HN 0.731 nan 8.240 nan 0.000 0.482 171 N N 0.759 119.428 118.700 -0.052 0.000 2.236 171 N HA 0.201 4.942 4.740 0.001 0.000 0.196 171 N C 0.749 176.243 175.510 -0.026 0.000 1.114 171 N CA 0.322 53.370 53.050 -0.002 0.000 0.859 171 N CB 0.487 38.976 38.487 0.002 0.000 0.982 171 N HN 0.751 nan 8.380 nan 0.000 0.493 172 T N -2.943 111.538 114.554 -0.121 0.000 2.708 172 T HA 0.328 4.678 4.350 0.001 0.000 0.256 172 T C 0.160 174.699 174.700 -0.269 0.000 0.946 172 T CA -0.518 61.493 62.100 -0.148 0.000 1.039 172 T CB 0.639 69.410 68.868 -0.162 0.000 1.557 172 T HN -0.153 nan 8.240 nan 0.000 0.576 173 N N 0.325 118.840 118.700 -0.308 0.000 2.275 173 N HA 0.306 5.046 4.740 0.001 0.000 0.236 173 N C -0.997 174.255 175.510 -0.430 0.000 1.154 173 N CA -0.268 52.516 53.050 -0.442 0.000 0.866 173 N CB 0.533 38.819 38.487 -0.335 0.000 1.093 173 N HN 0.548 nan 8.380 nan 0.000 0.515 174 E N 0.233 120.154 120.200 -0.466 0.000 2.246 174 E HA 0.301 4.651 4.350 0.001 0.000 0.266 174 E C -1.130 175.187 176.600 -0.472 0.000 0.880 174 E CA -0.573 55.598 56.400 -0.382 0.000 0.762 174 E CB 1.500 31.073 29.700 -0.212 0.000 1.180 174 E HN 0.001 nan 8.360 nan 0.000 0.416 175 F N 2.118 122.006 119.950 -0.103 0.000 2.443 175 F HA 0.430 4.957 4.527 0.001 0.000 0.335 175 F C -0.148 175.591 175.800 -0.102 0.000 1.104 175 F CA -0.993 56.954 58.000 -0.090 0.000 1.013 175 F CB 1.126 40.068 39.000 -0.097 0.000 1.136 175 F HN 0.255 nan 8.300 nan 0.000 0.470 176 L N 5.909 127.191 121.223 0.098 0.000 2.490 176 L HA 0.513 4.853 4.340 0.001 0.000 0.256 176 L C -0.548 176.333 176.870 0.019 0.000 1.089 176 L CA -0.441 54.414 54.840 0.025 0.000 0.916 176 L CB 0.319 42.380 42.059 0.002 0.000 1.188 176 L HN 0.497 nan 8.230 nan 0.000 0.476 177 I N -1.376 119.181 120.570 -0.022 0.000 2.677 177 I HA 0.492 4.663 4.170 0.001 0.000 0.305 177 I C -0.376 175.722 176.117 -0.031 0.000 0.988 177 I CA -0.561 60.702 61.300 -0.063 0.000 1.260 177 I CB 1.183 39.026 38.000 -0.262 0.000 1.410 177 I HN 0.317 nan 8.210 nan 0.000 0.523 178 D N 4.033 124.431 120.400 -0.003 0.000 2.359 178 D HA 0.218 4.858 4.640 0.001 0.000 0.230 178 D C -0.760 175.558 176.300 0.030 0.000 1.118 178 D CA -0.033 53.979 54.000 0.019 0.000 0.844 178 D CB 2.266 43.086 40.800 0.034 0.000 1.059 178 D HN 0.388 nan 8.370 nan 0.000 0.493 179 V N 4.379 124.310 119.914 0.028 0.000 2.406 179 V HA 0.093 4.214 4.120 0.001 0.000 0.272 179 V C -0.394 175.726 176.094 0.042 0.000 1.043 179 V CA -0.781 61.544 62.300 0.042 0.000 0.915 179 V CB 1.342 33.192 31.823 0.046 0.000 0.988 179 V HN 0.434 nan 8.190 nan 0.000 0.466 180 D N 6.002 126.431 120.400 0.049 0.000 2.359 180 D HA 0.034 4.674 4.640 0.001 0.000 0.250 180 D C 0.091 176.411 176.300 0.033 0.000 1.264 180 D CA -0.234 53.790 54.000 0.039 0.000 0.911 180 D CB 0.633 41.457 40.800 0.040 0.000 1.056 180 D HN 0.624 nan 8.370 nan 0.000 0.499 181 K N 2.135 122.551 120.400 0.028 0.000 2.466 181 K HA 0.273 4.594 4.320 0.001 0.000 0.278 181 K C 0.480 177.093 176.600 0.021 0.000 1.048 181 K CA 0.721 57.022 56.287 0.024 0.000 1.088 181 K CB -0.255 32.257 32.500 0.021 0.000 0.884 181 K HN 0.756 nan 8.250 nan 0.000 0.478 187 F N 1.021 120.997 119.950 0.045 0.000 2.613 187 F HA 0.760 5.288 4.527 0.001 0.000 0.310 187 F C 0.094 175.931 175.800 0.062 0.000 1.085 187 F CA -0.473 57.554 58.000 0.045 0.000 0.945 187 F CB 1.949 40.954 39.000 0.009 0.000 1.298 187 F HN 0.499 nan 8.300 nan 0.000 0.455 188 S N 2.031 117.894 115.700 0.272 0.000 2.689 188 S HA 0.685 5.155 4.470 0.001 0.000 0.274 188 S C -1.490 173.244 174.600 0.222 0.000 1.176 188 S CA -0.608 57.726 58.200 0.224 0.000 1.014 188 S CB 0.682 64.007 63.200 0.209 0.000 1.071 188 S HN 0.849 nan 8.310 nan 0.000 0.478 189 V N 2.482 122.502 119.914 0.177 0.000 2.975 189 V HA 0.823 4.944 4.120 0.001 0.000 0.318 189 V C -0.475 175.727 176.094 0.180 0.000 1.077 189 V CA -0.578 61.808 62.300 0.145 0.000 1.000 189 V CB 1.684 33.628 31.823 0.202 0.000 1.066 189 V HN 0.936 nan 8.190 nan 0.000 0.452 190 Q N 0.907 120.795 119.800 0.147 0.000 2.416 190 Q HA 0.765 5.106 4.340 0.001 0.000 0.281 190 Q C -1.134 174.861 176.000 -0.008 0.000 1.067 190 Q CA -0.683 55.183 55.803 0.105 0.000 0.809 190 Q CB 2.511 31.343 28.738 0.157 0.000 1.418 190 Q HN 1.297 nan 8.270 nan 0.000 0.411 191 A N 1.542 124.289 122.820 -0.121 0.000 2.320 191 A HA 0.854 5.175 4.320 0.001 0.000 0.334 191 A C -1.239 176.198 177.584 -0.245 0.000 1.147 191 A CA -0.508 51.310 52.037 -0.363 0.000 0.820 191 A CB 1.777 20.530 19.000 -0.411 0.000 1.218 191 A HN 0.595 nan 8.150 nan 0.000 0.482 192 V N 2.123 121.865 119.914 -0.287 0.000 2.924 192 V HA 0.579 4.700 4.120 0.001 0.000 0.300 192 V C -1.783 174.172 176.094 -0.233 0.000 1.227 192 V CA -0.483 61.693 62.300 -0.207 0.000 0.954 192 V CB 1.738 33.489 31.823 -0.119 0.000 1.055 192 V HN 0.770 nan 8.190 nan 0.000 0.429 193 I N 7.686 128.109 120.570 -0.246 0.000 2.502 193 I HA 0.374 4.544 4.170 0.001 0.000 0.276 193 I C -1.821 174.188 176.117 -0.180 0.000 1.057 193 I CA -1.827 59.314 61.300 -0.264 0.000 1.163 193 I CB 2.128 39.862 38.000 -0.443 0.000 1.288 193 I HN 0.485 nan 8.210 nan 0.000 0.479 194 P HA -0.194 nan 4.420 nan 0.000 0.217 194 P C 1.376 178.636 177.300 -0.067 0.000 1.148 194 P CA 1.328 64.382 63.100 -0.077 0.000 0.834 194 P CB 0.178 31.848 31.700 -0.051 0.000 0.783 195 S N -1.672 113.986 115.700 -0.072 0.000 2.474 195 S HA -0.032 4.439 4.470 0.001 0.000 0.235 195 S C 1.002 175.565 174.600 -0.061 0.000 0.997 195 S CA 0.519 58.689 58.200 -0.050 0.000 0.949 195 S CB -0.543 62.638 63.200 -0.031 0.000 0.766 195 S HN 0.156 nan 8.310 nan 0.000 0.517 196 R N 1.496 121.937 120.500 -0.097 0.000 2.539 196 R HA 0.251 4.592 4.340 0.001 0.000 0.275 196 R C 1.504 177.760 176.300 -0.073 0.000 1.077 196 R CA 0.636 56.675 56.100 -0.102 0.000 1.097 196 R CB 0.453 30.662 30.300 -0.153 0.000 1.018 196 R HN 0.434 nan 8.270 nan 0.000 0.483 197 T N -2.481 112.037 114.554 -0.062 0.000 3.015 197 T HA 0.052 4.403 4.350 0.001 0.000 0.250 197 T C 1.346 176.019 174.700 -0.044 0.000 1.057 197 T CA 0.494 62.568 62.100 -0.044 0.000 1.066 197 T CB 0.208 69.057 68.868 -0.032 0.000 0.959 197 T HN 0.392 nan 8.240 nan 0.000 0.488 198 V N 0.134 120.015 119.914 -0.056 0.000 3.669 198 V HA 0.435 4.556 4.120 0.001 0.000 0.203 198 V C 0.661 176.719 176.094 -0.059 0.000 1.149 198 V CA -0.247 62.025 62.300 -0.048 0.000 1.346 198 V CB -0.907 30.896 31.823 -0.034 0.000 1.510 198 V HN 0.184 nan 8.190 nan 0.000 0.506 199 N N 1.784 120.439 118.700 -0.076 0.000 3.111 199 N HA 0.175 4.915 4.740 0.001 0.000 0.302 199 N C 1.209 176.649 175.510 -0.117 0.000 1.317 199 N CA -0.118 52.883 53.050 -0.082 0.000 1.151 199 N CB -0.181 38.261 38.487 -0.075 0.000 1.456 199 N HN 0.533 nan 8.380 nan 0.000 0.547 200 R N -0.487 119.948 120.500 -0.109 0.000 2.285 200 R HA 0.044 4.385 4.340 0.001 0.000 0.213 200 R C 0.006 176.229 176.300 -0.128 0.000 1.068 200 R CA 0.770 56.791 56.100 -0.131 0.000 1.004 200 R CB -0.090 30.144 30.300 -0.110 0.000 0.873 200 R HN 0.165 nan 8.270 nan 0.000 0.467 201 K N 0.790 121.131 120.400 -0.098 0.000 2.444 201 K HA 0.313 4.634 4.320 0.001 0.000 0.252 201 K C -0.774 175.782 176.600 -0.073 0.000 0.993 201 K CA -0.725 55.512 56.287 -0.084 0.000 0.847 201 K CB 2.195 34.668 32.500 -0.045 0.000 1.340 201 K HN 0.082 nan 8.250 nan 0.000 0.446 202 S N -0.805 114.858 115.700 -0.060 0.000 2.739 202 S HA 0.457 4.927 4.470 0.001 0.000 0.306 202 S C 0.292 174.890 174.600 -0.004 0.000 1.115 202 S CA -0.662 57.516 58.200 -0.037 0.000 0.985 202 S CB 1.172 64.348 63.200 -0.040 0.000 1.133 202 S HN 0.618 nan 8.310 nan 0.000 0.541 203 T N -0.043 114.517 114.554 0.010 0.000 2.715 203 T HA 0.375 4.725 4.350 0.001 0.000 0.320 203 T C -0.700 174.028 174.700 0.047 0.000 1.046 203 T CA -0.374 61.739 62.100 0.023 0.000 0.983 203 T CB -0.501 68.379 68.868 0.021 0.000 1.183 203 T HN 0.645 nan 8.240 nan 0.000 0.522 204 D N 0.744 121.176 120.400 0.054 0.000 2.175 204 D HA 0.450 5.091 4.640 0.001 0.000 0.248 204 D C 0.364 176.715 176.300 0.085 0.000 1.047 204 D CA -0.255 53.797 54.000 0.086 0.000 0.883 204 D CB 1.141 41.989 40.800 0.080 0.000 1.180 204 D HN 0.706 nan 8.370 nan 0.000 0.438 205 S N 1.458 117.224 115.700 0.111 0.000 2.596 205 S HA 0.400 4.870 4.470 0.001 0.000 0.260 205 S C -2.387 172.269 174.600 0.093 0.000 1.336 205 S CA -1.125 57.138 58.200 0.105 0.000 0.993 205 S CB 0.319 63.597 63.200 0.129 0.000 0.923 205 S HN 0.113 nan 8.310 nan 0.000 0.567 206 P HA 0.195 nan 4.420 nan 0.000 0.268 206 P C -1.026 176.327 177.300 0.088 0.000 1.205 206 P CA -0.404 62.739 63.100 0.072 0.000 0.771 206 P CB 0.331 32.070 31.700 0.065 0.000 0.858 207 V N 4.349 124.309 119.914 0.076 0.000 2.427 207 V HA 0.113 4.234 4.120 0.001 0.000 0.268 207 V C 0.522 176.671 176.094 0.092 0.000 1.046 207 V CA 0.251 62.603 62.300 0.086 0.000 0.970 207 V CB -0.018 31.836 31.823 0.052 0.000 1.001 207 V HN 0.442 nan 8.190 nan 0.000 0.476 208 E N 3.336 123.620 120.200 0.141 0.000 2.145 208 E HA 0.365 4.715 4.350 0.001 0.000 0.262 208 E C -0.499 176.219 176.600 0.198 0.000 0.883 208 E CA -0.329 56.159 56.400 0.148 0.000 0.748 208 E CB 1.596 31.380 29.700 0.140 0.000 1.140 208 E HN 0.676 nan 8.360 nan 0.000 0.417 209 c N 2.936 121.602 118.600 0.109 0.000 2.470 209 c HA 0.725 5.295 4.570 0.001 0.000 0.350 209 c C 0.531 174.688 174.090 0.111 0.000 1.341 209 c CA -0.267 56.101 56.329 0.065 0.000 2.440 209 c CB -0.319 42.199 42.510 0.013 0.000 2.295 209 c HN 0.939 nan 8.230 nan 0.000 0.645 210 M N 0.000 119.637 119.600 0.062 0.000 2.572 210 M HA 0.000 4.481 4.480 0.001 0.000 0.227 210 M CA 0.000 55.352 55.300 0.087 0.000 0.988 210 M CB 0.000 32.719 32.600 0.199 0.000 1.302 210 M HN 0.000 nan 8.290 nan 0.000 0.411