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 3dws_1_A DATA FIRST_RESID 0 DATA SEQUENCE HXSLAVEAVK DFLLKLQDDI CEALEAEDGQ ATFVEDKWTR EGGGGGRTRV DATA SEQUENCE XVDGAVIEKG GVNFSHVYGK GLPXSSTERH PDIAGCNFEA XGVSLVIHPK DATA SEQUENCE NPHVPTSHAN VRLFVAEREG KEPVWWFGGG FDLTPYYAVE EDCRDFHQVA DATA SEQUENCE QDLCKPFGAD VYARFKGWCD EYFFIPYRNE ARGIGGLFFD DLNEWPFEKC DATA SEQUENCE FEFVQAVGKG YXDAYIPIVN RRKNTPYTEQ QVEFQEFRRG RYAEFNLVID DATA SEQUENCE RGTKFGLQSG GRTESILISL PPRARWGYNW QPEPGTPEAR LTEYFLTKRQ DATA SEQUENCE WV 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.262 175.328 -0.110 0.000 0.993 0 H CA 0.000 56.010 56.048 -0.064 0.000 1.023 0 H CB 0.000 nan 29.762 nan 0.000 1.292 3 L N 1.951 123.111 121.223 -0.105 0.000 2.179 3 L HA 0.195 4.536 4.340 0.001 0.000 0.208 3 L C 2.671 179.480 176.870 -0.102 0.000 1.096 3 L CA 1.323 56.116 54.840 -0.078 0.000 0.779 3 L CB -0.601 41.426 42.059 -0.053 0.000 0.922 3 L HN 0.413 nan 8.230 nan 0.000 0.443 4 A N 0.091 122.791 122.820 -0.201 0.000 1.902 4 A HA -0.128 4.193 4.320 0.001 0.000 0.217 4 A C 2.353 179.810 177.584 -0.212 0.000 1.181 4 A CA 1.554 53.433 52.037 -0.264 0.000 0.623 4 A CB -0.735 17.819 19.000 -0.743 0.000 0.818 4 A HN 0.167 nan 8.150 nan 0.000 0.443 5 V N 0.273 120.042 119.914 -0.242 0.000 2.427 5 V HA -0.194 3.926 4.120 0.001 0.000 0.248 5 V C 2.562 178.589 176.094 -0.111 0.000 1.051 5 V CA 2.048 64.240 62.300 -0.179 0.000 1.048 5 V CB -0.633 31.077 31.823 -0.189 0.000 0.666 5 V HN 0.515 nan 8.190 nan 0.000 0.456 6 E N 0.339 120.496 120.200 -0.072 0.000 2.077 6 E HA -0.179 4.172 4.350 0.001 0.000 0.193 6 E C 2.403 179.006 176.600 0.004 0.000 0.989 6 E CA 1.457 57.844 56.400 -0.022 0.000 0.800 6 E CB -0.527 29.170 29.700 -0.004 0.000 0.746 6 E HN 0.561 nan 8.360 nan 0.000 0.452 7 A N 1.172 123.994 122.820 0.004 0.000 1.917 7 A HA -0.184 4.137 4.320 0.001 0.000 0.219 7 A C 2.638 180.277 177.584 0.092 0.000 1.182 7 A CA 1.815 53.899 52.037 0.079 0.000 0.633 7 A CB -0.791 18.273 19.000 0.106 0.000 0.819 7 A HN 0.143 nan 8.150 nan 0.000 0.448 8 V N 0.045 119.873 119.914 -0.142 0.000 2.261 8 V HA -0.288 3.832 4.120 0.001 0.000 0.246 8 V C 2.502 178.709 176.094 0.189 0.000 1.047 8 V CA 2.396 64.657 62.300 -0.065 0.000 1.015 8 V CB -0.746 31.003 31.823 -0.123 0.000 0.642 8 V HN 0.642 nan 8.190 nan 0.000 0.446 9 K N -0.188 120.247 120.400 0.058 0.000 2.044 9 K HA -0.268 4.053 4.320 0.001 0.000 0.210 9 K C 1.931 178.541 176.600 0.017 0.000 1.049 9 K CA 2.105 58.418 56.287 0.043 0.000 0.927 9 K CB -0.281 32.211 32.500 -0.014 0.000 0.713 9 K HN 0.455 nan 8.250 nan 0.000 0.443 10 D N -0.268 120.169 120.400 0.062 0.000 2.144 10 D HA -0.159 4.482 4.640 0.001 0.000 0.199 10 D C 1.615 177.972 176.300 0.095 0.000 0.984 10 D CA 0.838 54.866 54.000 0.047 0.000 0.834 10 D CB -0.169 40.682 40.800 0.084 0.000 0.955 10 D HN 0.235 nan 8.370 nan 0.000 0.465 11 F N 1.404 121.408 119.950 0.089 0.000 2.113 11 F HA -0.070 4.458 4.527 0.001 0.000 0.297 11 F C 2.061 177.901 175.800 0.068 0.000 1.103 11 F CA 1.008 59.083 58.000 0.125 0.000 1.248 11 F CB -0.548 38.640 39.000 0.314 0.000 0.999 11 F HN -0.151 nan 8.300 nan 0.000 0.475 12 L N 0.186 121.201 121.223 -0.346 0.000 2.042 12 L HA -0.255 4.086 4.340 0.001 0.000 0.210 12 L C 2.582 179.233 176.870 -0.366 0.000 1.076 12 L CA 1.438 56.036 54.840 -0.403 0.000 0.749 12 L CB -0.896 41.210 42.059 0.078 0.000 0.893 12 L HN 0.277 nan 8.230 nan 0.000 0.432 13 L N -0.308 120.672 121.223 -0.406 0.000 2.093 13 L HA -0.224 4.117 4.340 0.001 0.000 0.208 13 L C 2.667 179.363 176.870 -0.290 0.000 1.085 13 L CA 1.289 55.851 54.840 -0.464 0.000 0.755 13 L CB -0.409 41.362 42.059 -0.480 0.000 0.904 13 L HN 0.247 nan 8.230 nan 0.000 0.435 14 K N 0.294 120.555 120.400 -0.232 0.000 2.103 14 K HA -0.181 4.139 4.320 0.001 0.000 0.204 14 K C 2.130 178.619 176.600 -0.186 0.000 1.052 14 K CA 0.855 57.048 56.287 -0.157 0.000 0.945 14 K CB -0.003 32.459 32.500 -0.063 0.000 0.722 14 K HN 0.049 nan 8.250 nan 0.000 0.443 15 L N 1.779 122.809 121.223 -0.322 0.000 2.042 15 L HA -0.212 4.129 4.340 0.001 0.000 0.210 15 L C 2.458 179.206 176.870 -0.203 0.000 1.076 15 L CA 1.790 56.451 54.840 -0.299 0.000 0.749 15 L CB -0.523 41.213 42.059 -0.539 0.000 0.893 15 L HN 0.329 nan 8.230 nan 0.000 0.432 16 Q N -0.850 118.819 119.800 -0.219 0.000 2.050 16 Q HA -0.235 4.106 4.340 0.001 0.000 0.202 16 Q C 1.742 177.632 176.000 -0.184 0.000 0.980 16 Q CA 2.045 57.737 55.803 -0.185 0.000 0.840 16 Q CB -0.095 28.546 28.738 -0.161 0.000 0.898 16 Q HN 0.557 nan 8.270 nan 0.000 0.424 17 D N 0.771 121.075 120.400 -0.160 0.000 2.104 17 D HA -0.166 4.475 4.640 0.001 0.000 0.194 17 D C 1.515 177.759 176.300 -0.093 0.000 0.994 17 D CA 1.449 55.376 54.000 -0.122 0.000 0.830 17 D CB -0.392 40.350 40.800 -0.096 0.000 0.959 17 D HN 0.340 nan 8.370 nan 0.000 0.452 18 D N 0.181 120.532 120.400 -0.081 0.000 2.117 18 D HA -0.072 4.568 4.640 0.001 0.000 0.197 18 D C 2.282 178.566 176.300 -0.026 0.000 0.987 18 D CA 0.399 54.373 54.000 -0.043 0.000 0.829 18 D CB -0.283 40.498 40.800 -0.032 0.000 0.961 18 D HN 0.269 nan 8.370 nan 0.000 0.460 19 I N 0.246 120.792 120.570 -0.040 0.000 2.252 19 I HA -0.258 3.913 4.170 0.001 0.000 0.245 19 I C 2.300 178.409 176.117 -0.013 0.000 1.102 19 I CA 0.548 61.854 61.300 0.011 0.000 1.385 19 I CB -0.095 37.915 38.000 0.017 0.000 1.064 19 I HN 0.082 nan 8.210 nan 0.000 0.414 20 C N 0.350 119.556 119.300 -0.157 0.000 2.436 20 C HA -0.175 4.285 4.460 0.001 0.000 0.277 20 C C 2.786 177.820 174.990 0.074 0.000 1.241 20 C CA 0.974 59.858 59.018 -0.224 0.000 1.721 20 C CB -0.952 26.505 27.740 -0.473 0.000 2.043 20 C HN 0.518 nan 8.230 nan 0.000 0.472 21 E N 0.876 121.093 120.200 0.028 0.000 2.070 21 E HA -0.256 4.095 4.350 0.001 0.000 0.197 21 E C 2.204 178.847 176.600 0.073 0.000 1.004 21 E CA 1.617 58.050 56.400 0.056 0.000 0.805 21 E CB -0.209 29.503 29.700 0.020 0.000 0.744 21 E HN 0.595 nan 8.360 nan 0.000 0.451 22 A N 0.714 123.570 122.820 0.060 0.000 1.902 22 A HA -0.152 4.169 4.320 0.001 0.000 0.217 22 A C 2.201 179.838 177.584 0.088 0.000 1.181 22 A CA 1.201 53.272 52.037 0.056 0.000 0.623 22 A CB -0.578 18.446 19.000 0.041 0.000 0.818 22 A HN 0.307 nan 8.150 nan 0.000 0.443 23 L N -0.958 120.360 121.223 0.159 0.000 2.109 23 L HA -0.143 4.197 4.340 0.001 0.000 0.207 23 L C 2.579 179.557 176.870 0.180 0.000 1.086 23 L CA 1.248 56.215 54.840 0.212 0.000 0.760 23 L CB -0.485 41.800 42.059 0.376 0.000 0.910 23 L HN 0.463 nan 8.230 nan 0.000 0.437 24 E N 0.257 120.583 120.200 0.210 0.000 2.051 24 E HA -0.241 4.110 4.350 0.001 0.000 0.192 24 E C 2.306 178.952 176.600 0.076 0.000 0.991 24 E CA 1.204 57.687 56.400 0.139 0.000 0.799 24 E CB -0.179 29.619 29.700 0.165 0.000 0.748 24 E HN 0.494 nan 8.360 nan 0.000 0.449 25 A N 1.475 124.336 122.820 0.068 0.000 1.940 25 A HA -0.222 4.099 4.320 0.001 0.000 0.219 25 A C 1.971 179.570 177.584 0.025 0.000 1.176 25 A CA 1.319 53.379 52.037 0.038 0.000 0.631 25 A CB -0.270 18.748 19.000 0.030 0.000 0.814 25 A HN 0.081 nan 8.150 nan 0.000 0.446 26 E N -0.211 120.006 120.200 0.028 0.000 2.152 26 E HA -0.133 4.218 4.350 0.001 0.000 0.192 26 E C 1.595 178.201 176.600 0.009 0.000 0.983 26 E CA 1.032 57.437 56.400 0.008 0.000 0.818 26 E CB -0.289 29.409 29.700 -0.003 0.000 0.758 26 E HN 0.740 nan 8.360 nan 0.000 0.467 27 D N -0.379 120.032 120.400 0.018 0.000 2.149 27 D HA -0.095 4.546 4.640 0.001 0.000 0.206 27 D C 1.275 177.578 176.300 0.005 0.000 0.967 27 D CA 1.526 55.530 54.000 0.007 0.000 0.848 27 D CB 0.308 41.104 40.800 -0.007 0.000 0.998 27 D HN 0.254 nan 8.370 nan 0.000 0.474 28 G N 1.470 110.276 108.800 0.010 0.000 2.196 28 G HA2 -0.378 3.583 3.960 0.001 0.000 0.268 28 G HA3 -0.378 3.583 3.960 0.001 0.000 0.268 28 G C 0.837 175.740 174.900 0.005 0.000 0.975 28 G CA 1.380 46.486 45.100 0.009 0.000 0.648 28 G HN 0.537 nan 8.290 nan 0.000 0.538 29 Q N -0.847 118.952 119.800 -0.001 0.000 2.644 29 Q HA 0.663 5.003 4.340 0.001 0.000 0.220 29 Q C 1.416 177.409 176.000 -0.012 0.000 0.866 29 Q CA 0.846 56.646 55.803 -0.005 0.000 0.915 29 Q CB 0.412 29.147 28.738 -0.006 0.000 1.191 29 Q HN 1.012 nan 8.270 nan 0.000 0.641 30 A N 0.764 123.566 122.820 -0.029 0.000 2.294 30 A HA 0.633 4.954 4.320 0.001 0.000 0.330 30 A C -0.222 177.330 177.584 -0.054 0.000 1.133 30 A CA 0.005 52.013 52.037 -0.048 0.000 0.836 30 A CB 1.216 20.169 19.000 -0.079 0.000 1.190 30 A HN 0.408 nan 8.150 nan 0.000 0.492 31 T N -1.722 112.805 114.554 -0.045 0.000 2.924 31 T HA 0.677 5.027 4.350 0.001 0.000 0.291 31 T C -0.536 174.146 174.700 -0.031 0.000 1.045 31 T CA -0.527 61.573 62.100 -0.000 0.000 1.015 31 T CB 0.601 69.504 68.868 0.059 0.000 1.103 31 T HN 0.278 nan 8.240 nan 0.000 0.496 32 F N 1.827 121.798 119.950 0.035 0.000 2.538 32 F HA 0.375 4.903 4.527 0.001 0.000 0.371 32 F C 0.939 176.763 175.800 0.040 0.000 1.087 32 F CA -0.150 57.875 58.000 0.041 0.000 1.250 32 F CB 0.767 39.793 39.000 0.044 0.000 1.110 32 F HN 0.561 nan 8.300 nan 0.000 0.570 33 V N 1.572 121.603 119.914 0.194 0.000 2.427 33 V HA 0.488 4.609 4.120 0.001 0.000 0.286 33 V C -0.384 175.814 176.094 0.172 0.000 1.034 33 V CA -0.851 61.535 62.300 0.143 0.000 0.893 33 V CB 1.517 33.392 31.823 0.087 0.000 0.982 33 V HN 0.814 nan 8.190 nan 0.000 0.452 34 E N 2.638 122.922 120.200 0.139 0.000 2.204 34 E HA 0.394 4.745 4.350 0.001 0.000 0.276 34 E C -1.451 175.229 176.600 0.132 0.000 0.974 34 E CA -0.614 55.868 56.400 0.137 0.000 0.815 34 E CB 1.618 31.380 29.700 0.103 0.000 1.119 34 E HN 0.909 nan 8.360 nan 0.000 0.393 35 D N 3.948 124.449 120.400 0.167 0.000 2.420 35 D HA 0.135 4.775 4.640 0.001 0.000 0.255 35 D C -1.251 175.213 176.300 0.273 0.000 1.185 35 D CA -0.604 53.511 54.000 0.192 0.000 0.904 35 D CB 0.541 41.452 40.800 0.185 0.000 1.102 35 D HN 0.351 nan 8.370 nan 0.000 0.534 36 K N 2.886 123.405 120.400 0.198 0.000 2.234 36 K HA 0.535 4.855 4.320 0.001 0.000 0.282 36 K C -0.076 176.661 176.600 0.228 0.000 1.039 36 K CA -0.834 55.545 56.287 0.154 0.000 0.928 36 K CB 1.358 33.895 32.500 0.062 0.000 1.039 36 K HN 0.301 nan 8.250 nan 0.000 0.470 37 W N 0.676 122.014 121.300 0.063 0.000 3.032 37 W HA 0.544 5.204 4.660 0.001 0.000 0.341 37 W C -1.391 175.155 176.519 0.044 0.000 1.202 37 W CA -1.009 56.364 57.345 0.046 0.000 1.132 37 W CB 0.822 30.306 29.460 0.041 0.000 1.465 37 W HN 0.724 nan 8.180 nan 0.000 0.576 38 T N -0.357 114.384 114.554 0.312 0.000 2.883 38 T HA 0.723 5.073 4.350 0.001 0.000 0.301 38 T C -1.310 173.563 174.700 0.288 0.000 1.158 38 T CA -0.842 61.338 62.100 0.134 0.000 1.007 38 T CB 3.167 72.070 68.868 0.059 0.000 1.186 38 T HN 0.689 nan 8.240 nan 0.000 0.499 39 R N -0.325 120.288 120.500 0.188 0.000 2.888 39 R HA 0.648 4.989 4.340 0.001 0.000 0.266 39 R C -0.291 176.058 176.300 0.080 0.000 1.020 39 R CA -0.076 56.135 56.100 0.184 0.000 0.963 39 R CB 1.222 31.675 30.300 0.255 0.000 1.197 39 R HN 0.978 nan 8.270 nan 0.000 0.481 40 E N 0.769 121.007 120.200 0.064 0.000 2.491 40 E HA 0.218 4.569 4.350 0.001 0.000 0.250 40 E C 0.813 177.419 176.600 0.010 0.000 1.061 40 E CA 0.293 56.710 56.400 0.028 0.000 0.942 40 E CB -0.701 nan 29.700 nan 0.000 0.957 40 E HN 0.996 nan 8.360 nan 0.000 0.480 41 G N 1.985 110.771 108.800 -0.024 0.000 2.424 41 G HA2 0.109 4.069 3.960 0.001 0.000 0.294 41 G HA3 0.109 4.069 3.960 0.001 0.000 0.294 41 G C 0.793 175.658 174.900 -0.058 0.000 0.939 41 G CA 0.928 45.990 45.100 -0.063 0.000 1.143 41 G HN 1.849 nan 8.290 nan 0.000 0.507 42 G N -1.220 107.558 108.800 -0.037 0.000 5.482 42 G HA2 0.615 4.576 3.960 0.001 0.000 0.208 42 G HA3 0.615 4.576 3.960 0.001 0.000 0.208 42 G C 1.176 176.099 174.900 0.038 0.000 0.756 42 G CA 1.350 46.458 45.100 0.014 0.000 0.682 42 G HN 1.878 nan 8.290 nan 0.000 0.405 43 G N 0.197 108.994 108.800 -0.005 0.000 2.629 43 G HA2 0.269 4.229 3.960 0.001 0.000 0.313 43 G HA3 0.269 4.229 3.960 0.001 0.000 0.313 43 G C 0.951 175.752 174.900 -0.164 0.000 1.217 43 G CA 1.514 46.587 45.100 -0.045 0.000 0.994 43 G HN 2.182 nan 8.290 nan 0.000 0.549 44 G N -2.654 105.939 108.800 -0.345 0.000 2.513 44 G HA2 0.729 4.690 3.960 0.001 0.000 0.182 44 G HA3 0.729 4.690 3.960 0.001 0.000 0.182 44 G C 0.081 174.208 174.900 -1.288 0.000 1.190 44 G CA 1.009 45.544 45.100 -0.941 0.000 0.987 44 G HN 2.642 nan 8.290 nan 0.000 0.479 45 G N -1.120 106.587 108.800 -1.822 0.000 2.559 45 G HA2 0.626 4.587 3.960 0.001 0.000 0.291 45 G HA3 0.626 4.587 3.960 0.001 0.000 0.291 45 G C -1.770 172.808 174.900 -0.538 0.000 1.424 45 G CA -0.734 43.802 45.100 -0.940 0.000 0.786 45 G HN 0.602 nan 8.290 nan 0.000 0.485 46 R N 0.640 121.185 120.500 0.075 0.000 2.412 46 R HA 0.456 4.797 4.340 0.001 0.000 0.304 46 R C -1.044 175.413 176.300 0.263 0.000 1.066 46 R CA -0.612 55.588 56.100 0.166 0.000 0.923 46 R CB 1.710 32.080 30.300 0.116 0.000 1.156 46 R HN 0.407 nan 8.270 nan 0.000 0.513 47 T N 3.816 118.577 114.554 0.345 0.000 2.728 47 T HA 0.287 4.638 4.350 0.001 0.000 0.296 47 T C 0.239 175.069 174.700 0.216 0.000 0.940 47 T CA -0.435 61.839 62.100 0.290 0.000 1.013 47 T CB 0.716 69.765 68.868 0.301 0.000 0.912 47 T HN 0.216 nan 8.240 nan 0.000 0.484 48 R N 2.383 122.991 120.500 0.179 0.000 2.294 48 R HA 0.644 4.985 4.340 0.001 0.000 0.319 48 R C 0.027 176.593 176.300 0.444 0.000 0.984 48 R CA -0.657 55.584 56.100 0.236 0.000 0.861 48 R CB 1.207 31.528 30.300 0.036 0.000 1.104 48 R HN 0.526 nan 8.270 nan 0.000 0.451 52 D N 2.956 123.330 120.400 -0.044 0.000 2.737 52 D HA -0.127 4.513 4.640 0.001 0.000 0.238 52 D C 0.305 176.584 176.300 -0.036 0.000 1.157 52 D CA 1.632 55.612 54.000 -0.032 0.000 0.694 52 D CB -0.737 40.049 40.800 -0.024 0.000 1.021 52 D HN 1.161 nan 8.370 nan 0.000 0.420 53 G N -0.894 107.879 108.800 -0.044 0.000 2.537 53 G HA2 0.571 4.532 3.960 0.001 0.000 0.297 53 G HA3 0.571 4.532 3.960 0.001 0.000 0.297 53 G C 1.179 176.071 174.900 -0.013 0.000 1.310 53 G CA -0.041 45.036 45.100 -0.039 0.000 1.027 53 G HN 0.258 nan 8.290 nan 0.000 0.505 54 A N -1.466 121.350 122.820 -0.006 0.000 1.930 54 A HA 0.159 4.480 4.320 0.001 0.000 0.217 54 A C 2.036 179.633 177.584 0.020 0.000 1.175 54 A CA 2.109 54.154 52.037 0.013 0.000 0.627 54 A CB -0.228 18.779 19.000 0.011 0.000 0.815 54 A HN 0.518 nan 8.150 nan 0.000 0.443 55 V N -1.078 118.840 119.914 0.007 0.000 3.090 55 V HA 0.259 4.380 4.120 0.001 0.000 0.237 55 V C 0.566 176.662 176.094 0.004 0.000 1.209 55 V CA 0.176 62.481 62.300 0.009 0.000 1.209 55 V CB 0.087 31.914 31.823 0.007 0.000 0.971 55 V HN 0.360 nan 8.190 nan 0.000 0.477 56 I N 1.525 122.092 120.570 -0.005 0.000 2.306 56 I HA 0.224 4.394 4.170 0.001 0.000 0.288 56 I C 1.323 177.424 176.117 -0.027 0.000 1.036 56 I CA 0.222 61.520 61.300 -0.004 0.000 1.221 56 I CB 1.503 39.490 38.000 -0.022 0.000 1.385 56 I HN 0.277 nan 8.210 nan 0.000 0.472 57 E N 5.966 126.159 120.200 -0.011 0.000 2.076 57 E HA -0.031 4.320 4.350 0.001 0.000 0.190 57 E C 0.559 177.151 176.600 -0.013 0.000 0.979 57 E CA 0.911 57.298 56.400 -0.022 0.000 0.807 57 E CB 0.561 30.238 29.700 -0.038 0.000 0.761 57 E HN 0.479 nan 8.360 nan 0.000 0.454 58 K N -0.573 119.845 120.400 0.029 0.000 2.535 58 K HA 0.486 4.807 4.320 0.001 0.000 0.250 58 K C -1.526 175.129 176.600 0.091 0.000 0.948 58 K CA -0.389 55.932 56.287 0.058 0.000 0.796 58 K CB 1.993 34.548 32.500 0.092 0.000 1.216 58 K HN 0.137 nan 8.250 nan 0.000 0.432 59 G N 1.283 110.118 108.800 0.058 0.000 2.753 59 G HA2 0.628 4.589 3.960 0.001 0.000 0.297 59 G HA3 0.628 4.589 3.960 0.001 0.000 0.297 59 G C -1.288 173.750 174.900 0.231 0.000 1.430 59 G CA -0.818 44.350 45.100 0.114 0.000 1.040 59 G HN 0.625 nan 8.290 nan 0.000 0.530 60 G N -0.437 108.527 108.800 0.273 0.000 2.707 60 G HA2 0.585 4.545 3.960 0.001 0.000 0.299 60 G HA3 0.585 4.545 3.960 0.001 0.000 0.299 60 G C -1.234 173.798 174.900 0.220 0.000 1.442 60 G CA -0.544 44.736 45.100 0.298 0.000 1.009 60 G HN 0.979 nan 8.290 nan 0.000 0.515 61 V N 3.472 123.474 119.914 0.146 0.000 2.325 61 V HA 0.335 4.456 4.120 0.001 0.000 0.280 61 V C -0.749 175.353 176.094 0.015 0.000 1.016 61 V CA -1.291 60.995 62.300 -0.024 0.000 0.818 61 V CB 0.882 32.564 31.823 -0.235 0.000 1.019 61 V HN 0.641 nan 8.190 nan 0.000 0.434 62 N N 3.314 122.061 118.700 0.079 0.000 2.473 62 N HA 0.539 5.279 4.740 0.001 0.000 0.291 62 N C -0.899 174.714 175.510 0.172 0.000 1.083 62 N CA -0.315 52.824 53.050 0.149 0.000 0.951 62 N CB 2.114 40.706 38.487 0.174 0.000 1.164 62 N HN 0.600 nan 8.380 nan 0.000 0.480 63 F N 0.518 120.495 119.950 0.045 0.000 2.495 63 F HA 0.562 5.090 4.527 0.001 0.000 0.327 63 F C -0.454 175.377 175.800 0.051 0.000 1.103 63 F CA -0.355 57.651 58.000 0.010 0.000 0.949 63 F CB 1.199 40.171 39.000 -0.047 0.000 1.142 63 F HN 0.215 nan 8.300 nan 0.000 0.457 64 S N 4.308 119.551 115.700 -0.762 0.000 2.549 64 S HA 0.394 4.865 4.470 0.001 0.000 0.280 64 S C -1.847 172.217 174.600 -0.893 0.000 1.109 64 S CA -0.586 57.262 58.200 -0.587 0.000 0.905 64 S CB 1.377 64.544 63.200 -0.056 0.000 1.081 64 S HN 0.824 nan 8.310 nan 0.000 0.477 65 H N 1.177 119.823 119.070 -0.708 0.000 3.018 65 H HA 0.582 5.139 4.556 0.001 0.000 0.334 65 H C -1.811 173.338 175.328 -0.299 0.000 0.983 65 H CA -0.564 55.188 56.048 -0.494 0.000 1.363 65 H CB 0.761 30.302 29.762 -0.368 0.000 1.668 65 H HN 0.365 nan 8.280 nan 0.000 0.513 66 V N 6.281 126.145 119.914 -0.083 0.000 2.417 66 V HA 0.246 4.367 4.120 0.001 0.000 0.291 66 V C -0.714 175.159 176.094 -0.369 0.000 1.024 66 V CA -0.589 61.657 62.300 -0.090 0.000 0.861 66 V CB 0.822 32.740 31.823 0.158 0.000 0.985 66 V HN 0.599 nan 8.190 nan 0.000 0.436 67 Y N 1.998 122.069 120.300 -0.382 0.000 2.519 67 Y HA 0.867 5.418 4.550 0.001 0.000 0.324 67 Y C 0.836 176.308 175.900 -0.713 0.000 1.214 67 Y CA -0.241 57.518 58.100 -0.568 0.000 1.260 67 Y CB 2.119 40.329 38.460 -0.416 0.000 1.311 67 Y HN 0.792 nan 8.280 nan 0.000 0.505 68 G N 0.818 109.165 108.800 -0.756 0.000 2.596 68 G HA2 0.375 4.335 3.960 0.001 0.000 0.296 68 G HA3 0.375 4.335 3.960 0.001 0.000 0.296 68 G C -2.071 172.703 174.900 -0.209 0.000 1.513 68 G CA -1.238 43.574 45.100 -0.480 0.000 0.851 68 G HN 0.399 nan 8.290 nan 0.000 0.548 69 K N 0.996 121.413 120.400 0.028 0.000 2.268 69 K HA 0.586 4.906 4.320 0.001 0.000 0.276 69 K C 0.466 177.182 176.600 0.192 0.000 1.080 69 K CA 0.300 56.641 56.287 0.090 0.000 0.910 69 K CB 1.467 33.993 32.500 0.044 0.000 1.163 69 K HN 1.689 nan 8.250 nan 0.000 0.465 70 G N 2.695 111.651 108.800 0.260 0.000 2.999 70 G HA2 -0.231 3.730 3.960 0.001 0.000 0.686 70 G HA3 -0.231 3.730 3.960 0.001 0.000 0.686 70 G C -0.441 174.664 174.900 0.341 0.000 1.057 70 G CA -1.042 44.210 45.100 0.253 0.000 0.784 70 G HN 0.498 nan 8.290 nan 0.000 0.575 71 L N 3.529 124.886 121.223 0.223 0.000 2.483 71 L HA 0.205 4.545 4.340 0.001 0.000 0.276 71 L C -0.849 176.093 176.870 0.120 0.000 1.213 71 L CA -1.215 53.655 54.840 0.050 0.000 0.843 71 L CB 0.439 42.503 42.059 0.008 0.000 1.107 71 L HN 0.481 nan 8.230 nan 0.000 0.487 75 S N 2.635 118.399 115.700 0.106 0.000 2.481 75 S HA 0.023 4.494 4.470 0.001 0.000 0.231 75 S C 1.933 176.547 174.600 0.023 0.000 0.996 75 S CA 1.532 59.741 58.200 0.015 0.000 0.942 75 S CB -0.474 62.724 63.200 -0.004 0.000 0.768 75 S HN 0.911 nan 8.310 nan 0.000 0.520 76 T N -0.274 114.304 114.554 0.040 0.000 3.072 76 T HA 0.095 4.446 4.350 0.001 0.000 0.266 76 T C 1.478 176.175 174.700 -0.005 0.000 1.127 76 T CA 0.561 62.682 62.100 0.036 0.000 1.107 76 T CB -0.031 68.865 68.868 0.047 0.000 0.910 76 T HN 0.240 nan 8.240 nan 0.000 0.513 77 E N 1.408 121.589 120.200 -0.031 0.000 2.076 77 E HA -0.040 4.311 4.350 0.001 0.000 0.190 77 E C 2.345 178.870 176.600 -0.126 0.000 0.979 77 E CA 0.573 56.938 56.400 -0.059 0.000 0.807 77 E CB -0.023 29.649 29.700 -0.047 0.000 0.761 77 E HN 0.568 nan 8.360 nan 0.000 0.454 78 R N -0.767 119.605 120.500 -0.214 0.000 2.112 78 R HA -0.008 4.333 4.340 0.001 0.000 0.216 78 R C 0.331 176.265 176.300 -0.609 0.000 1.080 78 R CA 0.563 56.401 56.100 -0.437 0.000 0.996 78 R CB 0.307 30.258 30.300 -0.582 0.000 0.902 78 R HN 0.073 nan 8.270 nan 0.000 0.449 79 H N 0.434 119.450 119.070 -0.089 0.000 2.348 79 H HA 0.215 4.772 4.556 0.001 0.000 0.232 79 H C -2.066 173.258 175.328 -0.008 0.000 1.419 79 H CA -2.078 53.938 56.048 -0.053 0.000 1.416 79 H CB 1.694 31.437 29.762 -0.032 0.000 1.510 79 H HN 0.252 nan 8.280 nan 0.000 0.507 80 P HA -0.115 nan 4.420 nan 0.000 0.217 80 P C 1.174 178.516 177.300 0.070 0.000 1.154 80 P CA 0.915 64.044 63.100 0.049 0.000 0.841 80 P CB 0.469 32.177 31.700 0.014 0.000 0.788 81 D N 1.384 121.829 120.400 0.073 0.000 2.265 81 D HA -0.158 4.482 4.640 0.001 0.000 0.208 81 D C 1.359 177.716 176.300 0.095 0.000 0.977 81 D CA 0.965 55.009 54.000 0.073 0.000 0.871 81 D CB -0.810 40.029 40.800 0.064 0.000 0.925 81 D HN 0.361 nan 8.370 nan 0.000 0.485 82 I N -4.060 116.587 120.570 0.129 0.000 2.998 82 I HA 0.648 4.818 4.170 0.001 0.000 0.338 82 I C 0.942 177.147 176.117 0.147 0.000 1.413 82 I CA -0.794 60.592 61.300 0.142 0.000 0.880 82 I CB 0.852 38.960 38.000 0.180 0.000 2.051 82 I HN -0.136 nan 8.210 nan 0.000 0.561 83 A N 1.802 124.693 122.820 0.119 0.000 1.975 83 A HA 0.285 4.606 4.320 0.001 0.000 0.215 83 A C 1.984 179.638 177.584 0.118 0.000 1.170 83 A CA 1.285 53.389 52.037 0.112 0.000 0.656 83 A CB -0.463 18.588 19.000 0.086 0.000 0.821 83 A HN 0.629 nan 8.150 nan 0.000 0.449 84 G N -0.537 108.328 108.800 0.109 0.000 3.189 84 G HA2 0.269 4.229 3.960 0.001 0.000 0.225 84 G HA3 0.269 4.229 3.960 0.001 0.000 0.225 84 G C 0.636 175.609 174.900 0.122 0.000 1.159 84 G CA 0.504 45.669 45.100 0.108 0.000 0.763 84 G HN 0.756 nan 8.290 nan 0.000 0.549 85 C N 0.034 119.421 119.300 0.145 0.000 2.604 85 C HA 0.521 4.982 4.460 0.001 0.000 0.396 85 C C 0.253 175.355 174.990 0.187 0.000 1.282 85 C CA -1.875 57.227 59.018 0.141 0.000 2.292 85 C CB 0.417 28.238 27.740 0.135 0.000 2.633 85 C HN 0.214 nan 8.230 nan 0.000 0.620 86 N N 2.114 120.885 118.700 0.118 0.000 2.475 86 N HA 0.464 5.204 4.740 0.001 0.000 0.267 86 N C -0.663 174.896 175.510 0.082 0.000 1.169 86 N CA 0.144 53.242 53.050 0.080 0.000 0.947 86 N CB 0.367 38.865 38.487 0.017 0.000 1.061 86 N HN 0.814 nan 8.380 nan 0.000 0.466 87 F N -0.948 118.950 119.950 -0.085 0.000 2.576 87 F HA 0.622 5.150 4.527 0.001 0.000 0.313 87 F C -0.391 175.234 175.800 -0.293 0.000 1.078 87 F CA -1.006 56.829 58.000 -0.275 0.000 0.921 87 F CB 1.607 40.435 39.000 -0.287 0.000 1.232 87 F HN 0.188 nan 8.300 nan 0.000 0.459 88 E N 2.122 122.091 120.200 -0.385 0.000 2.210 88 E HA 0.728 5.079 4.350 0.001 0.000 0.266 88 E C -1.091 175.331 176.600 -0.297 0.000 0.883 88 E CA -1.161 54.982 56.400 -0.428 0.000 0.761 88 E CB 2.204 31.675 29.700 -0.382 0.000 1.156 88 E HN 0.960 nan 8.360 nan 0.000 0.412 92 V N 0.308 120.254 119.914 0.053 0.000 2.513 92 V HA 0.800 4.921 4.120 0.001 0.000 0.299 92 V C 0.076 176.166 176.094 -0.008 0.000 1.035 92 V CA -0.595 61.728 62.300 0.038 0.000 0.889 92 V CB 1.647 33.463 31.823 -0.012 0.000 0.988 92 V HN 0.879 nan 8.190 nan 0.000 0.440 93 S N 4.556 120.262 115.700 0.009 0.000 2.538 93 S HA 0.890 5.361 4.470 0.001 0.000 0.288 93 S C -1.197 173.400 174.600 -0.006 0.000 1.108 93 S CA -0.553 57.654 58.200 0.012 0.000 0.971 93 S CB 1.240 64.505 63.200 0.109 0.000 1.041 93 S HN 0.744 nan 8.310 nan 0.000 0.483 94 L N 2.311 123.487 121.223 -0.078 0.000 2.434 94 L HA 0.970 5.311 4.340 0.001 0.000 0.260 94 L C -1.559 175.318 176.870 0.011 0.000 0.983 94 L CA -0.844 53.964 54.840 -0.055 0.000 0.820 94 L CB 1.700 43.658 42.059 -0.168 0.000 1.361 94 L HN 0.326 nan 8.230 nan 0.000 0.410 95 V N 3.649 123.592 119.914 0.048 0.000 2.623 95 V HA 0.590 4.711 4.120 0.001 0.000 0.304 95 V C -0.876 175.142 176.094 -0.127 0.000 1.054 95 V CA -0.260 62.034 62.300 -0.010 0.000 0.882 95 V CB 1.932 33.803 31.823 0.080 0.000 1.002 95 V HN 0.640 nan 8.190 nan 0.000 0.424 96 I N 4.389 124.825 120.570 -0.224 0.000 2.382 96 I HA 0.454 4.625 4.170 0.001 0.000 0.286 96 I C -0.418 175.569 176.117 -0.218 0.000 1.002 96 I CA -0.539 60.694 61.300 -0.112 0.000 1.135 96 I CB 1.435 39.480 38.000 0.074 0.000 1.288 96 I HN 0.572 nan 8.210 nan 0.000 0.448 97 H N 6.516 125.603 119.070 0.028 0.000 2.691 97 H HA 0.372 4.929 4.556 0.001 0.000 0.281 97 H C -2.354 172.967 175.328 -0.010 0.000 1.121 97 H CA -1.949 54.088 56.048 -0.019 0.000 1.254 97 H CB 1.119 30.842 29.762 -0.066 0.000 1.390 97 H HN 0.208 nan 8.280 nan 0.000 0.491 98 P HA 0.028 nan 4.420 nan 0.000 0.272 98 P C 1.258 178.529 177.300 -0.050 0.000 1.230 98 P CA -0.350 62.779 63.100 0.048 0.000 0.788 98 P CB 1.771 33.511 31.700 0.068 0.000 0.949 99 K N 1.659 122.013 120.400 -0.076 0.000 2.025 99 K HA -0.109 4.212 4.320 0.001 0.000 0.207 99 K C 0.724 177.122 176.600 -0.336 0.000 1.049 99 K CA 0.978 57.179 56.287 -0.143 0.000 0.933 99 K CB -0.202 32.262 32.500 -0.061 0.000 0.714 99 K HN 0.372 nan 8.250 nan 0.000 0.438 100 N N 1.105 119.604 118.700 -0.335 0.000 2.442 100 N HA 0.035 4.776 4.740 0.001 0.000 0.265 100 N C -2.186 173.107 175.510 -0.362 0.000 1.138 100 N CA -1.646 51.070 53.050 -0.555 0.000 0.956 100 N CB 1.506 39.880 38.487 -0.188 0.000 1.067 100 N HN -0.055 nan 8.380 nan 0.000 0.474 101 P HA -0.111 nan 4.420 nan 0.000 0.219 101 P C 0.610 177.884 177.300 -0.044 0.000 1.146 101 P CA 1.263 64.204 63.100 -0.265 0.000 0.808 101 P CB 0.101 31.701 31.700 -0.167 0.000 0.779 102 H N -1.711 117.418 119.070 0.099 0.000 2.547 102 H HA 0.086 4.643 4.556 0.001 0.000 0.272 102 H C 0.372 175.753 175.328 0.087 0.000 0.989 102 H CA 0.437 56.566 56.048 0.134 0.000 1.214 102 H CB -0.139 29.665 29.762 0.070 0.000 1.389 102 H HN 0.025 nan 8.280 nan 0.000 0.577 103 V N 3.467 123.462 119.914 0.136 0.000 2.406 103 V HA 0.170 4.291 4.120 0.001 0.000 0.272 103 V C -2.026 174.170 176.094 0.169 0.000 1.043 103 V CA -1.837 60.520 62.300 0.095 0.000 0.915 103 V CB 1.454 33.303 31.823 0.045 0.000 0.988 103 V HN -0.013 nan 8.190 nan 0.000 0.466 104 P HA 0.144 nan 4.420 nan 0.000 0.269 104 P C 0.216 177.610 177.300 0.156 0.000 1.215 104 P CA 0.025 63.172 63.100 0.078 0.000 0.780 104 P CB 0.355 32.030 31.700 -0.041 0.000 0.898 105 T N 1.519 116.090 114.554 0.028 0.000 2.926 105 T HA 0.360 4.710 4.350 0.001 0.000 0.307 105 T C 0.294 174.878 174.700 -0.192 0.000 1.059 105 T CA 0.292 62.343 62.100 -0.081 0.000 1.122 105 T CB -0.143 68.591 68.868 -0.223 0.000 0.972 105 T HN 0.536 nan 8.240 nan 0.000 0.545 106 S N 2.216 117.747 115.700 -0.282 0.000 2.595 106 S HA 0.578 5.048 4.470 0.001 0.000 0.281 106 S C -1.378 173.142 174.600 -0.133 0.000 1.117 106 S CA -0.978 57.043 58.200 -0.298 0.000 0.873 106 S CB 2.055 64.779 63.200 -0.792 0.000 1.108 106 S HN 0.876 nan 8.310 nan 0.000 0.477 107 H N 0.469 119.465 119.070 -0.124 0.000 2.806 107 H HA 0.748 5.304 4.556 0.001 0.000 0.367 107 H C -1.397 173.853 175.328 -0.129 0.000 1.136 107 H CA -0.521 55.458 56.048 -0.117 0.000 1.178 107 H CB 1.841 31.574 29.762 -0.049 0.000 1.718 107 H HN 1.133 nan 8.280 nan 0.000 0.540 108 A N 3.932 126.171 122.820 -0.969 0.000 2.587 108 A HA 0.425 4.746 4.320 0.001 0.000 0.293 108 A C -1.485 175.655 177.584 -0.740 0.000 1.087 108 A CA -0.873 50.663 52.037 -0.835 0.000 0.692 108 A CB 2.113 20.622 19.000 -0.818 0.000 1.291 108 A HN 0.811 nan 8.150 nan 0.000 0.407 109 N N -0.008 118.441 118.700 -0.419 0.000 2.406 109 N HA 0.533 5.274 4.740 0.001 0.000 0.283 109 N C -1.825 173.598 175.510 -0.144 0.000 1.074 109 N CA -0.286 52.629 53.050 -0.225 0.000 0.916 109 N CB 2.258 40.665 38.487 -0.134 0.000 1.639 109 N HN 0.978 nan 8.380 nan 0.000 0.485 110 V N 0.748 120.636 119.914 -0.043 0.000 2.638 110 V HA 0.821 4.941 4.120 0.001 0.000 0.306 110 V C -0.614 175.549 176.094 0.114 0.000 1.052 110 V CA -0.809 61.533 62.300 0.070 0.000 0.885 110 V CB 1.488 33.441 31.823 0.216 0.000 0.999 110 V HN 0.865 nan 8.190 nan 0.000 0.424 111 R N 3.365 123.961 120.500 0.160 0.000 2.734 111 R HA 0.928 5.269 4.340 0.001 0.000 0.271 111 R C -2.263 174.146 176.300 0.182 0.000 1.021 111 R CA -1.013 55.167 56.100 0.134 0.000 0.893 111 R CB 2.215 32.545 30.300 0.050 0.000 1.244 111 R HN 0.798 nan 8.270 nan 0.000 0.464 112 L N 1.233 122.470 121.223 0.022 0.000 2.505 112 L HA 0.592 4.933 4.340 0.001 0.000 0.266 112 L C -1.978 174.767 176.870 -0.208 0.000 0.954 112 L CA -0.600 54.118 54.840 -0.203 0.000 0.852 112 L CB 2.150 44.024 42.059 -0.307 0.000 1.282 112 L HN 0.721 nan 8.230 nan 0.000 0.403 113 F N 5.437 125.045 119.950 -0.570 0.000 2.482 113 F HA 0.821 5.349 4.527 0.001 0.000 0.331 113 F C -1.105 174.340 175.800 -0.592 0.000 1.115 113 F CA -0.523 57.073 58.000 -0.673 0.000 0.955 113 F CB 1.766 40.034 39.000 -1.220 0.000 1.136 113 F HN 0.236 nan 8.300 nan 0.000 0.452 114 V N 5.384 124.774 119.914 -0.874 0.000 2.525 114 V HA 0.732 4.853 4.120 0.001 0.000 0.299 114 V C -0.645 175.072 176.094 -0.627 0.000 1.034 114 V CA -0.773 61.215 62.300 -0.519 0.000 0.863 114 V CB 1.395 33.016 31.823 -0.336 0.000 0.999 114 V HN 0.967 nan 8.190 nan 0.000 0.423 115 A N 3.547 126.149 122.820 -0.362 0.000 2.273 115 A HA 0.673 4.993 4.320 0.001 0.000 0.315 115 A C -0.216 177.346 177.584 -0.037 0.000 1.256 115 A CA -0.524 51.406 52.037 -0.179 0.000 0.851 115 A CB 0.746 19.743 19.000 -0.006 0.000 1.172 115 A HN 0.855 nan 8.150 nan 0.000 0.508 116 E N 2.763 122.946 120.200 -0.027 0.000 2.223 116 E HA 0.255 4.606 4.350 0.001 0.000 0.282 116 E C -0.268 176.351 176.600 0.031 0.000 1.046 116 E CA -0.226 56.174 56.400 -0.001 0.000 0.857 116 E CB 0.463 30.154 29.700 -0.014 0.000 1.055 116 E HN 0.612 nan 8.360 nan 0.000 0.409 117 R N 2.986 123.509 120.500 0.038 0.000 2.540 117 R HA 0.122 4.463 4.340 0.001 0.000 0.287 117 R C -0.560 175.763 176.300 0.037 0.000 0.980 117 R CA -0.866 55.262 56.100 0.047 0.000 0.966 117 R CB 1.171 31.505 30.300 0.056 0.000 1.106 117 R HN 0.480 nan 8.270 nan 0.000 0.480 118 E N 1.108 121.331 120.200 0.038 0.000 2.081 118 E HA 0.122 4.472 4.350 0.001 0.000 0.270 118 E C 0.801 177.419 176.600 0.030 0.000 1.180 118 E CA 1.085 57.504 56.400 0.031 0.000 0.926 118 E CB -0.002 29.716 29.700 0.031 0.000 1.035 118 E HN 0.755 nan 8.360 nan 0.000 0.418 119 G N 4.529 113.344 108.800 0.026 0.000 2.454 119 G HA2 -0.317 3.644 3.960 0.001 0.000 0.225 119 G HA3 -0.317 3.644 3.960 0.001 0.000 0.225 119 G C 0.012 174.930 174.900 0.029 0.000 1.138 119 G CA 0.284 45.399 45.100 0.025 0.000 0.667 119 G HN 0.524 nan 8.290 nan 0.000 0.512 120 K N 1.970 122.392 120.400 0.035 0.000 2.154 120 K HA 0.587 4.907 4.320 0.001 0.000 0.264 120 K C 0.570 177.199 176.600 0.047 0.000 1.008 120 K CA -0.423 55.889 56.287 0.042 0.000 0.937 120 K CB 0.667 33.196 32.500 0.047 0.000 1.002 120 K HN 0.279 nan 8.250 nan 0.000 0.469 121 E N 2.784 123.017 120.200 0.056 0.000 2.418 121 E HA 0.032 4.382 4.350 0.001 0.000 0.261 121 E C -2.069 174.585 176.600 0.091 0.000 1.070 121 E CA -1.410 55.033 56.400 0.071 0.000 0.931 121 E CB -0.097 29.656 29.700 0.088 0.000 0.954 121 E HN 0.409 nan 8.360 nan 0.000 0.439 122 P HA 0.026 nan 4.420 nan 0.000 0.271 122 P C -0.203 177.217 177.300 0.200 0.000 1.218 122 P CA -0.167 63.004 63.100 0.119 0.000 0.780 122 P CB 0.777 32.526 31.700 0.081 0.000 0.901 123 V N 5.139 125.143 119.914 0.149 0.000 2.567 123 V HA 0.693 4.814 4.120 0.001 0.000 0.289 123 V C -0.786 175.426 176.094 0.196 0.000 1.049 123 V CA -0.275 62.107 62.300 0.137 0.000 0.969 123 V CB 0.130 32.054 31.823 0.168 0.000 0.995 123 V HN 0.762 nan 8.190 nan 0.000 0.471 124 W N 5.563 126.946 121.300 0.140 0.000 3.146 124 W HA 0.641 5.302 4.660 0.001 0.000 0.319 124 W C -2.295 174.371 176.519 0.245 0.000 1.258 124 W CA -1.427 55.912 57.345 -0.009 0.000 1.189 124 W CB 0.697 30.110 29.460 -0.078 0.000 1.412 124 W HN 0.885 nan 8.180 nan 0.000 0.567 125 W N 1.037 122.529 121.300 0.320 0.000 3.248 125 W HA 0.721 5.381 4.660 0.001 0.000 0.311 125 W C -2.218 174.395 176.519 0.156 0.000 1.258 125 W CA -1.526 55.961 57.345 0.236 0.000 1.191 125 W CB 0.251 29.739 29.460 0.047 0.000 1.389 125 W HN 0.252 nan 8.180 nan 0.000 0.561 126 F N 1.774 122.060 119.950 0.560 0.000 2.375 126 F HA 0.914 5.442 4.527 0.001 0.000 0.317 126 F C 1.119 177.147 175.800 0.379 0.000 1.124 126 F CA 0.125 58.362 58.000 0.395 0.000 1.050 126 F CB 1.694 40.935 39.000 0.402 0.000 1.314 126 F HN 0.730 nan 8.300 nan 0.000 0.511 127 G N -1.105 107.935 108.800 0.399 0.000 2.601 127 G HA2 0.568 4.529 3.960 0.001 0.000 0.291 127 G HA3 0.568 4.529 3.960 0.001 0.000 0.291 127 G C -0.972 173.492 174.900 -0.727 0.000 1.456 127 G CA -0.064 44.888 45.100 -0.247 0.000 0.804 127 G HN 1.154 nan 8.290 nan 0.000 0.499 128 G N -1.552 106.277 108.800 -1.618 0.000 2.347 128 G HA2 0.761 4.721 3.960 0.001 0.000 0.224 128 G HA3 0.761 4.721 3.960 0.001 0.000 0.224 128 G C 0.141 174.268 174.900 -1.288 0.000 1.318 128 G CA 1.152 45.568 45.100 -1.139 0.000 1.016 128 G HN 2.775 nan 8.290 nan 0.000 0.469 129 G N -1.935 106.533 108.800 -0.554 0.000 2.369 129 G HA2 0.675 4.635 3.960 0.001 0.000 0.295 129 G HA3 0.675 4.635 3.960 0.001 0.000 0.295 129 G C -0.997 173.877 174.900 -0.042 0.000 1.298 129 G CA 0.355 45.305 45.100 -0.250 0.000 0.940 129 G HN 2.249 nan 8.290 nan 0.000 0.536 130 F N -0.700 119.286 119.950 0.061 0.000 2.662 130 F HA 0.895 5.422 4.527 0.001 0.000 0.312 130 F C -0.841 175.109 175.800 0.249 0.000 1.113 130 F CA -0.779 57.270 58.000 0.081 0.000 0.951 130 F CB 1.846 40.929 39.000 0.139 0.000 1.344 130 F HN 0.949 nan 8.300 nan 0.000 0.462 131 D N 0.301 121.031 120.400 0.550 0.000 2.622 131 D HA 0.595 5.236 4.640 0.001 0.000 0.255 131 D C -2.230 174.143 176.300 0.122 0.000 1.246 131 D CA -0.707 53.501 54.000 0.348 0.000 0.795 131 D CB 2.304 43.072 40.800 -0.053 0.000 1.369 131 D HN 0.773 nan 8.370 nan 0.000 0.425 132 L N 0.047 121.127 121.223 -0.238 0.000 2.381 132 L HA 0.660 5.000 4.340 0.001 0.000 0.274 132 L C -1.017 175.661 176.870 -0.321 0.000 0.988 132 L CA 0.011 54.541 54.840 -0.517 0.000 0.824 132 L CB 2.353 43.683 42.059 -1.215 0.000 1.263 132 L HN 0.682 nan 8.230 nan 0.000 0.410 133 T N 6.175 120.554 114.554 -0.293 0.000 3.250 133 T HA 0.390 4.741 4.350 0.001 0.000 0.391 133 T C -2.662 171.727 174.700 -0.518 0.000 1.502 133 T CA -0.954 60.952 62.100 -0.324 0.000 1.320 133 T CB 0.575 69.299 68.868 -0.240 0.000 1.102 133 T HN 0.388 nan 8.240 nan 0.000 0.610 134 P HA 0.204 nan 4.420 nan 0.000 0.274 134 P C -0.370 176.568 177.300 -0.603 0.000 1.237 134 P CA -0.296 62.553 63.100 -0.418 0.000 0.793 134 P CB 1.358 32.869 31.700 -0.315 0.000 0.977 135 Y N -0.625 119.606 120.300 -0.114 0.000 2.569 135 Y HA 0.197 4.747 4.550 0.001 0.000 0.278 135 Y C 0.849 176.637 175.900 -0.188 0.000 1.130 135 Y CA 0.759 58.769 58.100 -0.150 0.000 1.280 135 Y CB -0.447 37.904 38.460 -0.181 0.000 1.379 135 Y HN 0.172 nan 8.280 nan 0.000 0.508 136 Y N 1.213 121.631 120.300 0.196 0.000 2.717 136 Y HA 0.617 5.168 4.550 0.001 0.000 0.329 136 Y C 0.396 176.270 175.900 -0.042 0.000 1.017 136 Y CA -1.513 56.645 58.100 0.098 0.000 1.275 136 Y CB 0.142 38.676 38.460 0.124 0.000 1.109 136 Y HN 0.042 nan 8.280 nan 0.000 0.511 137 A N 2.201 124.866 122.820 -0.259 0.000 2.366 137 A HA 0.611 4.932 4.320 0.001 0.000 0.250 137 A C -0.462 176.900 177.584 -0.370 0.000 1.099 137 A CA -0.308 51.344 52.037 -0.641 0.000 0.794 137 A CB 0.469 18.375 19.000 -1.823 0.000 1.056 137 A HN 0.473 nan 8.150 nan 0.000 0.499 138 V N 0.972 120.770 119.914 -0.194 0.000 2.567 138 V HA 0.171 4.292 4.120 0.001 0.000 0.298 138 V C 0.962 177.218 176.094 0.269 0.000 1.047 138 V CA -0.077 62.297 62.300 0.123 0.000 0.880 138 V CB 1.291 33.170 31.823 0.094 0.000 1.009 138 V HN 1.178 nan 8.190 nan 0.000 0.429 139 E N 3.486 124.014 120.200 0.548 0.000 2.086 139 E HA -0.284 4.066 4.350 0.001 0.000 0.205 139 E C 1.831 178.610 176.600 0.297 0.000 1.027 139 E CA 2.615 59.346 56.400 0.552 0.000 0.830 139 E CB 0.068 30.060 29.700 0.487 0.000 0.751 139 E HN 0.793 nan 8.360 nan 0.000 0.456 140 E N -0.575 119.757 120.200 0.221 0.000 2.153 140 E HA -0.215 4.135 4.350 0.001 0.000 0.194 140 E C 1.402 178.066 176.600 0.107 0.000 0.988 140 E CA 1.376 57.870 56.400 0.156 0.000 0.811 140 E CB -0.033 29.741 29.700 0.122 0.000 0.746 140 E HN 0.362 nan 8.360 nan 0.000 0.466 141 D N -0.171 120.271 120.400 0.071 0.000 2.097 141 D HA -0.130 4.511 4.640 0.001 0.000 0.197 141 D C 2.075 178.374 176.300 -0.001 0.000 0.984 141 D CA 0.920 54.938 54.000 0.030 0.000 0.826 141 D CB -0.628 40.164 40.800 -0.013 0.000 0.973 141 D HN 0.265 nan 8.370 nan 0.000 0.460 142 C N 0.742 119.949 119.300 -0.155 0.000 2.413 142 C HA -0.106 4.354 4.460 0.001 0.000 0.276 142 C C 2.623 177.499 174.990 -0.189 0.000 1.236 142 C CA 0.399 59.148 59.018 -0.449 0.000 1.735 142 C CB -0.868 26.070 27.740 -1.337 0.000 2.031 142 C HN 0.349 nan 8.230 nan 0.000 0.474 143 R N 0.936 121.431 120.500 -0.007 0.000 2.080 143 R HA -0.163 4.178 4.340 0.001 0.000 0.236 143 R C 1.770 178.206 176.300 0.227 0.000 1.137 143 R CA 2.161 58.409 56.100 0.247 0.000 0.943 143 R CB -0.443 30.028 30.300 0.286 0.000 0.846 143 R HN 0.488 nan 8.270 nan 0.000 0.431 144 D N -0.260 120.241 120.400 0.168 0.000 2.117 144 D HA -0.185 4.456 4.640 0.001 0.000 0.197 144 D C 1.569 177.973 176.300 0.174 0.000 0.987 144 D CA 1.012 55.099 54.000 0.145 0.000 0.829 144 D CB -0.334 40.530 40.800 0.107 0.000 0.961 144 D HN 0.166 nan 8.370 nan 0.000 0.460 145 F N 1.301 121.282 119.950 0.050 0.000 2.069 145 F HA -0.234 4.294 4.527 0.001 0.000 0.298 145 F C 2.536 178.409 175.800 0.121 0.000 1.113 145 F CA 1.692 59.724 58.000 0.053 0.000 1.214 145 F CB -0.232 38.757 39.000 -0.019 0.000 0.978 145 F HN 0.103 nan 8.300 nan 0.000 0.474 146 H N -0.986 118.273 119.070 0.314 0.000 2.389 146 H HA -0.143 4.414 4.556 0.001 0.000 0.299 146 H C 2.148 177.578 175.328 0.170 0.000 1.081 146 H CA 1.623 57.869 56.048 0.330 0.000 1.345 146 H CB -0.314 29.716 29.762 0.447 0.000 1.393 146 H HN 0.305 nan 8.280 nan 0.000 0.520 147 Q N 0.902 120.833 119.800 0.218 0.000 2.124 147 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 147 Q C 2.411 178.438 176.000 0.045 0.000 0.977 147 Q CA 1.165 57.018 55.803 0.083 0.000 0.850 147 Q CB -0.309 28.482 28.738 0.088 0.000 0.901 147 Q HN 0.176 nan 8.270 nan 0.000 0.429 148 V N 0.405 120.350 119.914 0.053 0.000 2.343 148 V HA -0.276 3.845 4.120 0.001 0.000 0.247 148 V C 2.229 178.389 176.094 0.109 0.000 1.051 148 V CA 1.743 64.065 62.300 0.038 0.000 1.036 148 V CB -1.252 30.548 31.823 -0.038 0.000 0.654 148 V HN 0.512 nan 8.190 nan 0.000 0.451 149 A N -0.699 122.218 122.820 0.163 0.000 1.858 149 A HA -0.330 3.991 4.320 0.001 0.000 0.216 149 A C 2.269 180.021 177.584 0.279 0.000 1.190 149 A CA 2.267 54.462 52.037 0.264 0.000 0.617 149 A CB -0.631 18.536 19.000 0.278 0.000 0.827 149 A HN 0.595 nan 8.150 nan 0.000 0.443 150 Q N -0.730 119.079 119.800 0.015 0.000 2.084 150 Q HA -0.242 4.099 4.340 0.001 0.000 0.202 150 Q C 1.361 177.357 176.000 -0.007 0.000 0.978 150 Q CA 1.876 57.511 55.803 -0.281 0.000 0.844 150 Q CB -0.182 28.058 28.738 -0.830 0.000 0.898 150 Q HN 0.600 nan 8.270 nan 0.000 0.426 151 D N 0.525 120.933 120.400 0.014 0.000 2.097 151 D HA -0.159 4.481 4.640 0.001 0.000 0.195 151 D C 1.981 178.347 176.300 0.110 0.000 0.989 151 D CA 1.377 55.404 54.000 0.045 0.000 0.827 151 D CB -0.256 40.563 40.800 0.031 0.000 0.966 151 D HN 0.403 nan 8.370 nan 0.000 0.456 152 L N -1.039 120.275 121.223 0.153 0.000 2.275 152 L HA -0.017 4.324 4.340 0.001 0.000 0.215 152 L C 2.020 179.118 176.870 0.379 0.000 1.119 152 L CA 1.210 56.179 54.840 0.214 0.000 0.790 152 L CB -0.971 41.191 42.059 0.171 0.000 0.919 152 L HN -0.050 nan 8.230 nan 0.000 0.443 153 C N -0.280 119.252 119.300 0.388 0.000 2.485 153 C HA 0.042 4.503 4.460 0.001 0.000 0.278 153 C C 2.670 177.911 174.990 0.419 0.000 1.356 153 C CA 0.260 59.599 59.018 0.535 0.000 1.747 153 C CB -0.654 27.380 27.740 0.491 0.000 2.001 153 C HN 0.583 nan 8.230 nan 0.000 0.501 154 K N 1.145 121.683 120.400 0.229 0.000 2.077 154 K HA -0.213 4.108 4.320 0.001 0.000 0.213 154 K C -0.687 175.920 176.600 0.010 0.000 1.051 154 K CA 1.995 58.342 56.287 0.100 0.000 0.929 154 K CB -1.229 31.297 32.500 0.043 0.000 0.715 154 K HN 0.405 nan 8.250 nan 0.000 0.451 155 P HA -0.103 nan 4.420 nan 0.000 0.230 155 P C 0.523 177.462 177.300 -0.602 0.000 1.158 155 P CA 1.108 63.970 63.100 -0.396 0.000 0.769 155 P CB 0.061 31.389 31.700 -0.620 0.000 0.807 156 F N -1.100 118.756 119.950 -0.157 0.000 2.731 156 F HA 0.455 4.983 4.527 0.001 0.000 0.298 156 F C 1.384 176.947 175.800 -0.396 0.000 1.106 156 F CA 0.487 58.242 58.000 -0.408 0.000 1.329 156 F CB 0.267 38.988 39.000 -0.465 0.000 1.100 156 F HN -0.124 nan 8.300 nan 0.000 0.592 157 G N -0.715 108.061 108.800 -0.040 0.000 2.352 157 G HA2 0.365 4.326 3.960 0.001 0.000 0.303 157 G HA3 0.365 4.326 3.960 0.001 0.000 0.303 157 G C 0.106 175.030 174.900 0.039 0.000 1.593 157 G CA -0.465 44.631 45.100 -0.007 0.000 0.963 157 G HN 0.075 nan 8.290 nan 0.000 0.685 158 A N -0.011 122.826 122.820 0.029 0.000 2.014 158 A HA 0.157 4.477 4.320 0.001 0.000 0.218 158 A C 1.832 179.452 177.584 0.060 0.000 1.163 158 A CA 2.365 54.427 52.037 0.040 0.000 0.652 158 A CB -0.207 18.808 19.000 0.025 0.000 0.808 158 A HN 1.011 nan 8.150 nan 0.000 0.449 159 D N -0.677 119.747 120.400 0.041 0.000 2.349 159 D HA 0.041 4.681 4.640 0.001 0.000 0.214 159 D C 1.434 177.710 176.300 -0.039 0.000 1.063 159 D CA 0.625 54.636 54.000 0.018 0.000 0.847 159 D CB -0.541 40.256 40.800 -0.005 0.000 0.933 159 D HN 0.178 nan 8.370 nan 0.000 0.513 160 V N 0.607 120.500 119.914 -0.036 0.000 2.287 160 V HA -0.289 3.832 4.120 0.001 0.000 0.248 160 V C 2.327 178.324 176.094 -0.161 0.000 1.053 160 V CA 1.820 63.990 62.300 -0.217 0.000 1.027 160 V CB -0.993 30.823 31.823 -0.011 0.000 0.646 160 V HN 0.225 nan 8.190 nan 0.000 0.447 161 Y N 1.387 121.698 120.300 0.017 0.000 2.114 161 Y HA -0.181 4.369 4.550 0.001 0.000 0.284 161 Y C 2.424 178.406 175.900 0.137 0.000 1.143 161 Y CA 1.672 59.854 58.100 0.136 0.000 1.135 161 Y CB -0.799 37.760 38.460 0.165 0.000 0.980 161 Y HN 0.123 nan 8.280 nan 0.000 0.499 162 A N 0.992 123.863 122.820 0.085 0.000 1.869 162 A HA -0.314 4.006 4.320 0.001 0.000 0.218 162 A C 2.311 179.867 177.584 -0.046 0.000 1.203 162 A CA 2.519 54.554 52.037 -0.004 0.000 0.638 162 A CB -0.938 18.108 19.000 0.078 0.000 0.831 162 A HN 0.598 nan 8.150 nan 0.000 0.450 163 R N -1.791 118.673 120.500 -0.061 0.000 2.080 163 R HA -0.132 4.209 4.340 0.001 0.000 0.236 163 R C 1.893 178.372 176.300 0.298 0.000 1.137 163 R CA 1.851 57.951 56.100 -0.001 0.000 0.943 163 R CB -0.454 29.732 30.300 -0.190 0.000 0.846 163 R HN 0.565 nan 8.270 nan 0.000 0.431 164 F N 1.047 121.123 119.950 0.210 0.000 2.416 164 F HA 0.020 4.548 4.527 0.001 0.000 0.296 164 F C 2.238 178.177 175.800 0.231 0.000 1.099 164 F CA 0.440 58.645 58.000 0.341 0.000 1.427 164 F CB -0.608 38.591 39.000 0.333 0.000 1.079 164 F HN -0.065 nan 8.300 nan 0.000 0.536 165 K N 1.014 121.495 120.400 0.135 0.000 2.025 165 K HA -0.094 4.227 4.320 0.001 0.000 0.207 165 K C 2.333 179.038 176.600 0.175 0.000 1.049 165 K CA 1.459 57.753 56.287 0.012 0.000 0.933 165 K CB -0.857 31.322 32.500 -0.535 0.000 0.714 165 K HN 0.325 nan 8.250 nan 0.000 0.438 166 G N 0.557 109.442 108.800 0.142 0.000 2.442 166 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 166 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 166 G C 1.337 176.400 174.900 0.272 0.000 1.141 166 G CA 0.518 45.711 45.100 0.155 0.000 0.763 166 G HN 0.421 nan 8.290 nan 0.000 0.554 167 W N 0.532 121.939 121.300 0.179 0.000 2.381 167 W HA -0.046 4.615 4.660 0.001 0.000 0.301 167 W C 2.526 179.141 176.519 0.160 0.000 1.205 167 W CA 0.311 57.778 57.345 0.204 0.000 1.285 167 W CB -1.038 28.642 29.460 0.366 0.000 1.133 167 W HN 0.254 nan 8.180 nan 0.000 0.521 168 C N 1.145 120.737 119.300 0.487 0.000 2.413 168 C HA -0.227 4.234 4.460 0.001 0.000 0.276 168 C C 2.403 177.599 174.990 0.344 0.000 1.248 168 C CA 2.053 61.317 59.018 0.411 0.000 1.742 168 C CB -1.317 26.694 27.740 0.452 0.000 2.017 168 C HN 0.211 nan 8.230 nan 0.000 0.481 169 D N 0.216 120.786 120.400 0.283 0.000 2.144 169 D HA -0.104 4.537 4.640 0.001 0.000 0.199 169 D C 2.165 178.526 176.300 0.102 0.000 0.984 169 D CA 1.366 55.482 54.000 0.194 0.000 0.834 169 D CB -0.481 40.394 40.800 0.125 0.000 0.955 169 D HN 0.685 nan 8.370 nan 0.000 0.465 170 E N -0.666 119.593 120.200 0.097 0.000 2.072 170 E HA -0.166 4.185 4.350 0.001 0.000 0.191 170 E C 1.893 178.530 176.600 0.063 0.000 0.985 170 E CA 0.546 56.964 56.400 0.031 0.000 0.801 170 E CB -0.131 29.605 29.700 0.060 0.000 0.750 170 E HN 0.324 nan 8.360 nan 0.000 0.452 171 Y N 0.431 120.655 120.300 -0.126 0.000 2.109 171 Y HA -0.119 4.432 4.550 0.001 0.000 0.285 171 Y C 0.637 176.346 175.900 -0.319 0.000 1.131 171 Y CA 1.080 58.923 58.100 -0.428 0.000 1.121 171 Y CB 0.032 37.721 38.460 -1.284 0.000 0.987 171 Y HN -0.129 nan 8.280 nan 0.000 0.495 172 F N 1.407 121.334 119.950 -0.039 0.000 2.661 172 F HA 0.202 4.730 4.527 0.001 0.000 0.356 172 F C -0.753 174.982 175.800 -0.108 0.000 1.244 172 F CA -0.148 57.657 58.000 -0.326 0.000 1.290 172 F CB -0.737 38.089 39.000 -0.290 0.000 1.677 172 F HN -0.107 nan 8.300 nan 0.000 0.649 173 F N 1.737 121.662 119.950 -0.041 0.000 2.581 173 F HA 0.580 5.108 4.527 0.001 0.000 0.311 173 F C -0.951 174.895 175.800 0.076 0.000 1.113 173 F CA -1.824 56.183 58.000 0.012 0.000 0.935 173 F CB 1.321 40.322 39.000 0.002 0.000 1.232 173 F HN -0.027 nan 8.300 nan 0.000 0.445 174 I N 8.684 128.896 120.570 -0.598 0.000 2.310 174 I HA 0.251 4.422 4.170 0.001 0.000 0.287 174 I C -1.855 173.711 176.117 -0.918 0.000 1.073 174 I CA -1.693 59.257 61.300 -0.584 0.000 1.216 174 I CB 1.184 38.872 38.000 -0.520 0.000 1.415 174 I HN 0.460 nan 8.210 nan 0.000 0.480 175 P HA -0.176 nan 4.420 nan 0.000 0.217 175 P C 1.334 178.537 177.300 -0.161 0.000 1.150 175 P CA 1.349 64.285 63.100 -0.273 0.000 0.832 175 P CB -0.053 31.679 31.700 0.053 0.000 0.787 176 Y N -1.013 119.225 120.300 -0.104 0.000 2.421 176 Y HA 0.081 4.631 4.550 0.001 0.000 0.292 176 Y C 1.750 177.617 175.900 -0.055 0.000 1.136 176 Y CA 0.640 58.707 58.100 -0.055 0.000 1.255 176 Y CB -1.063 37.376 38.460 -0.036 0.000 0.991 176 Y HN -0.194 nan 8.280 nan 0.000 0.552 177 R N 0.576 120.808 120.500 -0.447 0.000 2.397 177 R HA 0.048 4.388 4.340 0.001 0.000 0.241 177 R C 0.067 176.224 176.300 -0.239 0.000 0.914 177 R CA 0.192 56.128 56.100 -0.274 0.000 1.071 177 R CB -0.132 29.965 30.300 -0.339 0.000 1.116 177 R HN 0.245 nan 8.270 nan 0.000 0.524 178 N N 2.592 121.107 118.700 -0.309 0.000 2.686 178 N HA -0.242 4.499 4.740 0.001 0.000 0.261 178 N C -1.278 174.117 175.510 -0.192 0.000 1.001 178 N CA 1.025 53.956 53.050 -0.198 0.000 0.764 178 N CB -0.599 37.912 38.487 0.040 0.000 0.898 178 N HN 0.491 nan 8.380 nan 0.000 0.544 179 E N -0.767 119.099 120.200 -0.556 0.000 2.321 179 E HA 0.609 4.960 4.350 0.001 0.000 0.281 179 E C -0.845 175.643 176.600 -0.186 0.000 0.910 179 E CA -0.508 55.776 56.400 -0.192 0.000 0.770 179 E CB 1.131 30.750 29.700 -0.135 0.000 1.225 179 E HN 0.378 nan 8.360 nan 0.000 0.417 180 A N 3.227 126.157 122.820 0.184 0.000 2.386 180 A HA 0.217 4.537 4.320 0.001 0.000 0.248 180 A C 0.954 178.577 177.584 0.065 0.000 1.082 180 A CA 0.053 52.238 52.037 0.248 0.000 0.789 180 A CB 0.790 19.956 19.000 0.278 0.000 1.025 180 A HN 0.875 nan 8.150 nan 0.000 0.490 181 R N 0.855 121.355 120.500 0.000 0.000 2.075 181 R HA 0.146 4.487 4.340 0.001 0.000 0.226 181 R C 0.922 177.197 176.300 -0.043 0.000 1.114 181 R CA 1.418 57.466 56.100 -0.087 0.000 0.972 181 R CB -0.047 30.050 30.300 -0.338 0.000 0.869 181 R HN 0.860 nan 8.270 nan 0.000 0.437 182 G N -0.227 108.558 108.800 -0.027 0.000 3.058 182 G HA2 0.311 4.272 3.960 0.001 0.000 0.282 182 G HA3 0.311 4.272 3.960 0.001 0.000 0.282 182 G C -0.203 174.743 174.900 0.076 0.000 1.248 182 G CA -0.215 44.865 45.100 -0.032 0.000 0.822 182 G HN 0.198 nan 8.290 nan 0.000 0.579 183 I N -1.267 119.342 120.570 0.066 0.000 3.861 183 I HA 0.578 4.748 4.170 0.001 0.000 0.329 183 I C 1.030 177.389 176.117 0.404 0.000 1.321 183 I CA 0.065 61.513 61.300 0.245 0.000 1.126 183 I CB 0.004 38.092 38.000 0.147 0.000 1.018 183 I HN 1.358 nan 8.210 nan 0.000 0.407 184 G N 0.021 108.988 108.800 0.278 0.000 2.615 184 G HA2 0.321 4.282 3.960 0.001 0.000 0.218 184 G HA3 0.321 4.282 3.960 0.001 0.000 0.218 184 G C 0.047 175.141 174.900 0.324 0.000 1.339 184 G CA -0.289 45.037 45.100 0.376 0.000 0.884 184 G HN 1.392 nan 8.290 nan 0.000 0.559 185 G N -2.190 106.794 108.800 0.307 0.000 2.458 185 G HA2 0.503 4.464 3.960 0.001 0.000 0.066 185 G HA3 0.503 4.464 3.960 0.001 0.000 0.066 185 G C -1.038 173.895 174.900 0.055 0.000 0.986 185 G CA -0.013 45.148 45.100 0.102 0.000 1.131 185 G HN 1.444 nan 8.290 nan 0.000 0.453 186 L N 0.317 121.457 121.223 -0.138 0.000 2.354 186 L HA 0.861 5.202 4.340 0.001 0.000 0.269 186 L C -1.301 175.668 176.870 0.166 0.000 1.005 186 L CA -0.813 54.039 54.840 0.020 0.000 0.819 186 L CB 2.208 44.185 42.059 -0.137 0.000 1.311 186 L HN 0.575 nan 8.230 nan 0.000 0.423 187 F N 3.646 123.634 119.950 0.063 0.000 2.615 187 F HA 0.650 5.178 4.527 0.001 0.000 0.312 187 F C -1.400 174.094 175.800 -0.510 0.000 1.119 187 F CA -0.740 57.114 58.000 -0.244 0.000 0.979 187 F CB 1.653 40.505 39.000 -0.246 0.000 1.266 187 F HN 0.309 nan 8.300 nan 0.000 0.444 188 F N 2.708 121.698 119.950 -1.601 0.000 2.668 188 F HA 0.807 5.334 4.527 0.001 0.000 0.309 188 F C -2.007 172.870 175.800 -1.539 0.000 1.117 188 F CA -0.804 56.146 58.000 -1.749 0.000 0.951 188 F CB 1.600 39.599 39.000 -1.668 0.000 1.323 188 F HN 0.412 nan 8.300 nan 0.000 0.451 189 D N -0.353 119.467 120.400 -0.967 0.000 2.622 189 D HA 0.267 4.908 4.640 0.001 0.000 0.255 189 D C -1.135 175.140 176.300 -0.042 0.000 1.246 189 D CA -0.005 53.734 54.000 -0.435 0.000 0.795 189 D CB 1.816 42.338 40.800 -0.465 0.000 1.369 189 D HN 0.722 nan 8.370 nan 0.000 0.425 190 D N 0.444 120.781 120.400 -0.106 0.000 2.751 190 D HA -0.214 4.427 4.640 0.001 0.000 0.233 190 D C -0.063 176.268 176.300 0.052 0.000 1.149 190 D CA 0.342 54.176 54.000 -0.277 0.000 0.682 190 D CB -0.998 39.547 40.800 -0.425 0.000 1.068 190 D HN 0.208 nan 8.370 nan 0.000 0.429 191 L N 1.675 123.044 121.223 0.243 0.000 2.407 191 L HA 0.222 4.563 4.340 0.001 0.000 0.282 191 L C 0.830 177.860 176.870 0.267 0.000 1.110 191 L CA 0.317 55.264 54.840 0.178 0.000 0.863 191 L CB 0.189 42.374 42.059 0.210 0.000 1.207 191 L HN 0.153 nan 8.230 nan 0.000 0.454 192 N N 1.637 120.345 118.700 0.014 0.000 2.036 192 N HA -0.062 4.678 4.740 0.001 0.000 0.224 192 N C 0.629 176.072 175.510 -0.113 0.000 1.381 192 N CA 0.284 53.261 53.050 -0.122 0.000 0.746 192 N CB -0.489 37.567 38.487 -0.720 0.000 1.213 192 N HN 0.666 nan 8.380 nan 0.000 0.524 193 E N -0.406 119.692 120.200 -0.171 0.000 2.150 193 E HA -0.088 4.263 4.350 0.001 0.000 0.193 193 E C -0.422 176.227 176.600 0.082 0.000 0.985 193 E CA 0.386 56.708 56.400 -0.130 0.000 0.814 193 E CB -0.106 29.442 29.700 -0.254 0.000 0.752 193 E HN 0.213 nan 8.360 nan 0.000 0.466 194 W N 2.051 123.446 121.300 0.157 0.000 2.253 194 W HA 0.385 5.046 4.660 0.001 0.000 0.348 194 W C -2.144 174.562 176.519 0.312 0.000 1.229 194 W CA -3.215 54.240 57.345 0.184 0.000 1.335 194 W CB -0.837 28.710 29.460 0.146 0.000 1.165 194 W HN -0.114 nan 8.180 nan 0.000 0.631 195 P HA -0.100 nan 4.420 nan 0.000 0.269 195 P C 0.891 178.534 177.300 0.571 0.000 1.217 195 P CA 0.019 63.417 63.100 0.495 0.000 0.783 195 P CB 0.471 32.368 31.700 0.328 0.000 0.898 196 F N 1.824 122.001 119.950 0.379 0.000 2.126 196 F HA -0.233 4.294 4.527 0.001 0.000 0.299 196 F C 1.936 177.858 175.800 0.204 0.000 1.096 196 F CA 1.775 59.848 58.000 0.122 0.000 1.255 196 F CB -0.126 38.680 39.000 -0.324 0.000 0.997 196 F HN 0.252 nan 8.300 nan 0.000 0.479 197 E N 0.664 121.034 120.200 0.283 0.000 2.077 197 E HA -0.254 4.096 4.350 0.001 0.000 0.193 197 E C 2.197 178.859 176.600 0.103 0.000 0.989 197 E CA 1.299 57.816 56.400 0.195 0.000 0.800 197 E CB -0.496 29.338 29.700 0.223 0.000 0.746 197 E HN 0.479 nan 8.360 nan 0.000 0.452 198 K N 0.427 120.922 120.400 0.158 0.000 2.097 198 K HA -0.130 4.191 4.320 0.001 0.000 0.206 198 K C 2.232 178.965 176.600 0.222 0.000 1.049 198 K CA 1.506 57.895 56.287 0.169 0.000 0.933 198 K CB -0.102 32.465 32.500 0.113 0.000 0.717 198 K HN 0.101 nan 8.250 nan 0.000 0.442 199 C N 0.379 119.824 119.300 0.243 0.000 2.429 199 C HA -0.098 4.363 4.460 0.001 0.000 0.277 199 C C 2.390 177.128 174.990 -0.421 0.000 1.262 199 C CA 0.299 59.373 59.018 0.093 0.000 1.733 199 C CB -1.100 26.757 27.740 0.195 0.000 2.010 199 C HN 0.568 nan 8.230 nan 0.000 0.483 200 F N 2.433 121.897 119.950 -0.810 0.000 2.075 200 F HA -0.090 4.438 4.527 0.001 0.000 0.297 200 F C 2.374 177.863 175.800 -0.518 0.000 1.113 200 F CA 1.715 59.182 58.000 -0.889 0.000 1.218 200 F CB -0.895 37.691 39.000 -0.690 0.000 0.984 200 F HN 0.201 nan 8.300 nan 0.000 0.472 201 E N -0.130 119.843 120.200 -0.379 0.000 2.130 201 E HA -0.289 4.062 4.350 0.001 0.000 0.196 201 E C 2.230 178.727 176.600 -0.172 0.000 0.998 201 E CA 1.529 57.760 56.400 -0.282 0.000 0.806 201 E CB -1.089 28.629 29.700 0.030 0.000 0.738 201 E HN 0.502 nan 8.360 nan 0.000 0.459 202 F N 1.470 121.146 119.950 -0.457 0.000 2.134 202 F HA -0.202 4.325 4.527 0.001 0.000 0.299 202 F C 2.347 177.872 175.800 -0.458 0.000 1.097 202 F CA 1.580 59.058 58.000 -0.870 0.000 1.264 202 F CB -0.304 38.212 39.000 -0.806 0.000 1.001 202 F HN -0.066 nan 8.300 nan 0.000 0.479 203 V N -1.357 118.317 119.914 -0.400 0.000 2.667 203 V HA -0.191 3.929 4.120 0.001 0.000 0.252 203 V C 1.972 177.956 176.094 -0.182 0.000 1.065 203 V CA 1.686 63.847 62.300 -0.232 0.000 1.083 203 V CB -1.043 30.779 31.823 -0.003 0.000 0.692 203 V HN 0.470 nan 8.190 nan 0.000 0.468 204 Q N 1.171 120.704 119.800 -0.445 0.000 2.050 204 Q HA -0.068 4.273 4.340 0.001 0.000 0.202 204 Q C 2.535 178.468 176.000 -0.111 0.000 0.980 204 Q CA 2.019 57.574 55.803 -0.413 0.000 0.840 204 Q CB -0.515 27.803 28.738 -0.700 0.000 0.898 204 Q HN 0.753 nan 8.270 nan 0.000 0.424 205 A N 0.358 123.074 122.820 -0.173 0.000 1.972 205 A HA -0.138 4.183 4.320 0.001 0.000 0.219 205 A C 2.302 179.839 177.584 -0.080 0.000 1.169 205 A CA 1.318 53.304 52.037 -0.085 0.000 0.635 205 A CB -0.574 18.413 19.000 -0.022 0.000 0.810 205 A HN 0.219 nan 8.150 nan 0.000 0.446 206 V N -0.312 119.481 119.914 -0.202 0.000 2.453 206 V HA -0.123 3.997 4.120 0.001 0.000 0.247 206 V C 2.760 178.969 176.094 0.192 0.000 1.048 206 V CA 1.756 64.061 62.300 0.009 0.000 1.049 206 V CB -1.314 30.451 31.823 -0.098 0.000 0.672 206 V HN 0.598 nan 8.190 nan 0.000 0.457 207 G N -0.157 108.741 108.800 0.164 0.000 2.414 207 G HA2 -0.296 3.664 3.960 0.001 0.000 0.215 207 G HA3 -0.296 3.664 3.960 0.001 0.000 0.215 207 G C 1.618 176.598 174.900 0.134 0.000 1.188 207 G CA 1.031 46.245 45.100 0.190 0.000 0.783 207 G HN 0.487 nan 8.290 nan 0.000 0.537 208 K N 0.408 120.875 120.400 0.112 0.000 2.097 208 K HA -0.020 4.301 4.320 0.001 0.000 0.206 208 K C 2.560 179.157 176.600 -0.005 0.000 1.049 208 K CA 1.455 57.773 56.287 0.052 0.000 0.933 208 K CB -0.608 31.918 32.500 0.043 0.000 0.717 208 K HN 0.229 nan 8.250 nan 0.000 0.442 209 G N 0.482 109.290 108.800 0.015 0.000 2.442 209 G HA2 -0.269 3.692 3.960 0.001 0.000 0.219 209 G HA3 -0.269 3.692 3.960 0.001 0.000 0.219 209 G C 0.661 175.305 174.900 -0.427 0.000 1.141 209 G CA 0.772 45.847 45.100 -0.042 0.000 0.763 209 G HN 0.417 nan 8.290 nan 0.000 0.554 213 A N 0.207 122.834 122.820 -0.320 0.000 1.855 213 A HA -0.057 4.264 4.320 0.001 0.000 0.213 213 A C 2.004 179.557 177.584 -0.051 0.000 1.195 213 A CA 1.355 53.217 52.037 -0.291 0.000 0.610 213 A CB -0.580 17.952 19.000 -0.780 0.000 0.837 213 A HN 0.256 nan 8.150 nan 0.000 0.444 214 Y N 0.174 120.263 120.300 -0.351 0.000 2.262 214 Y HA 0.020 4.571 4.550 0.001 0.000 0.295 214 Y C 2.042 177.820 175.900 -0.203 0.000 1.121 214 Y CA 0.575 58.526 58.100 -0.248 0.000 1.144 214 Y CB -0.064 38.045 38.460 -0.585 0.000 1.043 214 Y HN 0.170 nan 8.280 nan 0.000 0.528 215 I N 1.363 121.761 120.570 -0.287 0.000 2.151 215 I HA -0.244 3.927 4.170 0.001 0.000 0.243 215 I C -0.454 175.516 176.117 -0.245 0.000 1.080 215 I CA 1.662 62.799 61.300 -0.273 0.000 1.339 215 I CB -2.642 35.270 38.000 -0.147 0.000 1.039 215 I HN 0.189 nan 8.210 nan 0.000 0.409 216 P HA -0.124 nan 4.420 nan 0.000 0.216 216 P C 2.184 179.403 177.300 -0.135 0.000 1.150 216 P CA 1.440 64.468 63.100 -0.119 0.000 0.837 216 P CB -0.028 31.629 31.700 -0.073 0.000 0.786 217 I N -1.319 119.148 120.570 -0.171 0.000 2.286 217 I HA -0.191 3.980 4.170 0.001 0.000 0.248 217 I C 2.120 178.096 176.117 -0.234 0.000 1.115 217 I CA 1.214 62.415 61.300 -0.165 0.000 1.392 217 I CB -0.646 37.273 38.000 -0.135 0.000 1.065 217 I HN -0.173 nan 8.210 nan 0.000 0.418 218 V N 0.877 120.549 119.914 -0.403 0.000 2.427 218 V HA -0.265 3.855 4.120 0.001 0.000 0.248 218 V C 2.257 178.250 176.094 -0.167 0.000 1.051 218 V CA 1.959 64.057 62.300 -0.336 0.000 1.048 218 V CB -0.901 30.653 31.823 -0.449 0.000 0.666 218 V HN 0.545 nan 8.190 nan 0.000 0.456 219 N N 0.381 118.995 118.700 -0.144 0.000 2.188 219 N HA -0.192 4.549 4.740 0.001 0.000 0.184 219 N C 2.142 177.618 175.510 -0.057 0.000 1.018 219 N CA 1.358 54.358 53.050 -0.082 0.000 0.858 219 N CB 0.020 38.464 38.487 -0.072 0.000 0.989 219 N HN 0.410 nan 8.380 nan 0.000 0.426 220 R N 0.090 120.553 120.500 -0.061 0.000 2.090 220 R HA 0.055 4.396 4.340 0.001 0.000 0.228 220 R C 1.229 177.514 176.300 -0.025 0.000 1.110 220 R CA 0.995 57.073 56.100 -0.037 0.000 0.973 220 R CB 0.209 30.488 30.300 -0.035 0.000 0.869 220 R HN 0.115 nan 8.270 nan 0.000 0.440 221 R N 0.219 120.704 120.500 -0.025 0.000 2.373 221 R HA 0.045 4.385 4.340 0.001 0.000 0.221 221 R C 1.681 177.998 176.300 0.029 0.000 0.893 221 R CA 0.380 56.484 56.100 0.007 0.000 1.049 221 R CB 0.106 30.427 30.300 0.036 0.000 1.119 221 R HN 0.338 nan 8.270 nan 0.000 0.535 222 K N 0.752 121.155 120.400 0.005 0.000 2.103 222 K HA -0.059 4.262 4.320 0.001 0.000 0.207 222 K C 0.824 177.460 176.600 0.060 0.000 1.048 222 K CA 1.347 57.647 56.287 0.023 0.000 0.930 222 K CB -0.108 32.391 32.500 -0.002 0.000 0.716 222 K HN -0.022 nan 8.250 nan 0.000 0.444 223 N N 1.298 120.023 118.700 0.041 0.000 2.314 223 N HA 0.013 4.753 4.740 0.001 0.000 0.200 223 N C -0.488 175.048 175.510 0.044 0.000 1.135 223 N CA 0.290 53.369 53.050 0.048 0.000 0.835 223 N CB 0.447 38.945 38.487 0.019 0.000 0.989 223 N HN 0.196 nan 8.380 nan 0.000 0.478 224 T N 3.733 118.314 114.554 0.044 0.000 2.888 224 T HA 0.107 4.457 4.350 0.001 0.000 0.301 224 T C -2.238 172.507 174.700 0.075 0.000 1.001 224 T CA -0.726 61.358 62.100 -0.027 0.000 1.147 224 T CB 1.133 69.898 68.868 -0.170 0.000 0.931 224 T HN 0.152 nan 8.240 nan 0.000 0.541 225 P HA 0.222 nan 4.420 nan 0.000 0.276 225 P C -1.282 176.093 177.300 0.125 0.000 1.230 225 P CA -0.361 62.749 63.100 0.016 0.000 0.776 225 P CB 0.265 31.931 31.700 -0.056 0.000 0.888 226 Y N -0.993 119.341 120.300 0.056 0.000 2.524 226 Y HA 0.673 5.224 4.550 0.001 0.000 0.347 226 Y C 0.017 175.938 175.900 0.036 0.000 1.005 226 Y CA -1.220 56.937 58.100 0.095 0.000 1.025 226 Y CB 0.832 39.371 38.460 0.132 0.000 1.275 226 Y HN 0.416 nan 8.280 nan 0.000 0.460 227 T N -1.785 112.852 114.554 0.138 0.000 2.902 227 T HA 0.189 4.540 4.350 0.001 0.000 0.280 227 T C 0.800 175.590 174.700 0.149 0.000 0.992 227 T CA -0.100 62.036 62.100 0.061 0.000 1.015 227 T CB 1.597 70.495 68.868 0.050 0.000 1.044 227 T HN 0.999 nan 8.240 nan 0.000 0.520 228 E N 0.136 120.391 120.200 0.092 0.000 2.338 228 E HA -0.224 4.126 4.350 0.001 0.000 0.197 228 E C 1.541 178.219 176.600 0.129 0.000 1.007 228 E CA 0.868 57.337 56.400 0.114 0.000 0.849 228 E CB -0.096 29.642 29.700 0.065 0.000 0.774 228 E HN 0.620 nan 8.360 nan 0.000 0.506 229 Q N 0.700 120.577 119.800 0.128 0.000 2.123 229 Q HA -0.074 4.267 4.340 0.001 0.000 0.199 229 Q C 1.947 178.083 176.000 0.227 0.000 0.966 229 Q CA 1.601 57.498 55.803 0.156 0.000 0.845 229 Q CB 0.008 28.819 28.738 0.123 0.000 0.907 229 Q HN 0.440 nan 8.270 nan 0.000 0.439 230 Q N -0.757 119.177 119.800 0.223 0.000 2.230 230 Q HA -0.038 4.303 4.340 0.001 0.000 0.202 230 Q C 1.894 178.075 176.000 0.301 0.000 0.963 230 Q CA 0.966 56.965 55.803 0.326 0.000 0.866 230 Q CB 0.187 28.992 28.738 0.111 0.000 0.931 230 Q HN 0.197 nan 8.270 nan 0.000 0.452 231 V N 1.197 121.219 119.914 0.180 0.000 2.515 231 V HA -0.237 3.884 4.120 0.001 0.000 0.250 231 V C 2.144 178.253 176.094 0.024 0.000 1.058 231 V CA 1.775 64.105 62.300 0.051 0.000 1.064 231 V CB -0.404 31.457 31.823 0.063 0.000 0.675 231 V HN 0.396 nan 8.190 nan 0.000 0.461 232 E N -0.231 120.042 120.200 0.122 0.000 2.072 232 E HA -0.246 4.104 4.350 0.001 0.000 0.191 232 E C 2.144 178.886 176.600 0.235 0.000 0.985 232 E CA 1.478 57.965 56.400 0.146 0.000 0.801 232 E CB -0.163 29.674 29.700 0.229 0.000 0.750 232 E HN 0.547 nan 8.360 nan 0.000 0.452 233 F N 2.156 122.210 119.950 0.173 0.000 2.069 233 F HA -0.237 4.291 4.527 0.001 0.000 0.298 233 F C 2.478 178.300 175.800 0.037 0.000 1.113 233 F CA 2.187 60.307 58.000 0.201 0.000 1.214 233 F CB -0.675 38.457 39.000 0.221 0.000 0.978 233 F HN 0.045 nan 8.300 nan 0.000 0.474 234 Q N 0.293 119.972 119.800 -0.202 0.000 2.112 234 Q HA -0.274 4.067 4.340 0.001 0.000 0.206 234 Q C 2.051 177.719 176.000 -0.554 0.000 0.987 234 Q CA 2.313 57.765 55.803 -0.584 0.000 0.858 234 Q CB -0.337 28.047 28.738 -0.590 0.000 0.905 234 Q HN 0.651 nan 8.270 nan 0.000 0.420 235 E N -0.778 119.173 120.200 -0.415 0.000 2.152 235 E HA -0.129 4.222 4.350 0.001 0.000 0.192 235 E C 1.711 177.904 176.600 -0.678 0.000 0.983 235 E CA 0.811 56.907 56.400 -0.505 0.000 0.818 235 E CB -0.038 29.389 29.700 -0.456 0.000 0.758 235 E HN 0.349 nan 8.360 nan 0.000 0.467 236 F N 0.752 120.277 119.950 -0.709 0.000 2.206 236 F HA -0.077 4.451 4.527 0.002 0.000 0.298 236 F C 2.368 177.676 175.800 -0.819 0.000 1.090 236 F CA 0.760 58.138 58.000 -1.037 0.000 1.323 236 F CB 0.111 37.996 39.000 -1.858 0.000 1.028 236 F HN -0.149 nan 8.300 nan 0.000 0.492 237 R N 0.393 120.612 120.500 -0.468 0.000 2.120 237 R HA -0.083 4.258 4.340 0.001 0.000 0.234 237 R C 2.105 178.331 176.300 -0.124 0.000 1.123 237 R CA 1.016 56.971 56.100 -0.242 0.000 0.975 237 R CB -0.748 29.421 30.300 -0.218 0.000 0.866 237 R HN 0.304 nan 8.270 nan 0.000 0.446 238 R N -0.635 119.721 120.500 -0.240 0.000 2.189 238 R HA 0.008 4.349 4.340 0.001 0.000 0.218 238 R C 2.234 178.371 176.300 -0.272 0.000 1.074 238 R CA 0.829 56.811 56.100 -0.198 0.000 0.991 238 R CB -0.331 29.764 30.300 -0.342 0.000 0.883 238 R HN 0.284 nan 8.270 nan 0.000 0.457 239 G N 1.439 109.883 108.800 -0.592 0.000 2.459 239 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 239 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 239 G C 1.377 176.271 174.900 -0.010 0.000 1.183 239 G CA 0.388 44.971 45.100 -0.860 0.000 0.776 239 G HN 0.161 nan 8.290 nan 0.000 0.552 240 R N -0.729 119.796 120.500 0.041 0.000 2.105 240 R HA -0.111 4.230 4.340 0.001 0.000 0.239 240 R C 2.217 178.653 176.300 0.227 0.000 1.135 240 R CA 1.186 57.395 56.100 0.182 0.000 0.967 240 R CB -0.887 29.493 30.300 0.132 0.000 0.861 240 R HN 0.546 nan 8.270 nan 0.000 0.442 241 Y N 1.085 121.431 120.300 0.077 0.000 2.200 241 Y HA -0.149 4.401 4.550 0.001 0.000 0.290 241 Y C 2.397 178.415 175.900 0.197 0.000 1.137 241 Y CA 1.356 59.530 58.100 0.123 0.000 1.163 241 Y CB -0.255 38.260 38.460 0.092 0.000 0.988 241 Y HN 0.088 nan 8.280 nan 0.000 0.518 242 A N -0.011 123.003 122.820 0.323 0.000 1.902 242 A HA -0.192 4.129 4.320 0.001 0.000 0.217 242 A C 2.065 179.812 177.584 0.271 0.000 1.181 242 A CA 1.827 54.051 52.037 0.312 0.000 0.623 242 A CB -0.635 18.622 19.000 0.430 0.000 0.818 242 A HN 0.585 nan 8.150 nan 0.000 0.443 243 E N -1.257 119.144 120.200 0.334 0.000 2.038 243 E HA -0.214 4.136 4.350 0.001 0.000 0.195 243 E C 1.803 178.500 176.600 0.162 0.000 1.000 243 E CA 1.448 58.009 56.400 0.268 0.000 0.803 243 E CB -0.343 29.575 29.700 0.363 0.000 0.750 243 E HN 0.680 nan 8.360 nan 0.000 0.448 244 F N 2.402 122.366 119.950 0.023 0.000 2.065 244 F HA -0.260 4.268 4.527 0.001 0.000 0.298 244 F C 1.985 177.746 175.800 -0.065 0.000 1.112 244 F CA 1.622 59.585 58.000 -0.062 0.000 1.212 244 F CB -0.125 38.786 39.000 -0.147 0.000 0.975 244 F HN -0.061 nan 8.300 nan 0.000 0.476 245 N N 0.478 119.202 118.700 0.040 0.000 2.166 245 N HA -0.137 4.603 4.740 0.001 0.000 0.186 245 N C 1.907 177.381 175.510 -0.060 0.000 1.019 245 N CA 1.606 54.653 53.050 -0.004 0.000 0.856 245 N CB -0.425 38.096 38.487 0.057 0.000 0.993 245 N HN 0.374 nan 8.380 nan 0.000 0.426 246 L N -0.455 120.753 121.223 -0.025 0.000 2.202 246 L HA 0.066 4.406 4.340 0.001 0.000 0.205 246 L C 1.945 178.770 176.870 -0.074 0.000 1.083 246 L CA 0.335 55.159 54.840 -0.027 0.000 0.790 246 L CB 0.052 42.117 42.059 0.009 0.000 0.942 246 L HN -0.065 nan 8.230 nan 0.000 0.452 247 V N -0.558 119.301 119.914 -0.093 0.000 2.500 247 V HA -0.066 4.055 4.120 0.001 0.000 0.243 247 V C 1.908 177.889 176.094 -0.189 0.000 1.039 247 V CA 1.407 63.645 62.300 -0.104 0.000 1.053 247 V CB 0.348 32.161 31.823 -0.016 0.000 0.695 247 V HN 0.256 nan 8.190 nan 0.000 0.463 248 I N -0.920 119.420 120.570 -0.383 0.000 3.300 248 I HA 0.139 4.310 4.170 0.001 0.000 0.279 248 I C 0.722 176.457 176.117 -0.638 0.000 1.172 248 I CA 0.098 61.060 61.300 -0.563 0.000 1.431 248 I CB 0.261 37.759 38.000 -0.836 0.000 1.240 248 I HN 0.218 nan 8.210 nan 0.000 0.453 249 D N 1.502 121.442 120.400 -0.768 0.000 2.520 249 D HA -0.043 4.597 4.640 0.001 0.000 0.243 249 D C 1.316 177.585 176.300 -0.051 0.000 1.160 249 D CA 0.576 54.374 54.000 -0.337 0.000 0.877 249 D CB 0.762 41.523 40.800 -0.066 0.000 1.150 249 D HN 0.017 nan 8.370 nan 0.000 0.494 250 R N 2.499 123.071 120.500 0.121 0.000 2.073 250 R HA -0.001 4.340 4.340 0.001 0.000 0.229 250 R C 2.179 178.587 176.300 0.179 0.000 1.120 250 R CA 1.145 57.325 56.100 0.133 0.000 0.967 250 R CB -0.109 30.294 30.300 0.171 0.000 0.862 250 R HN 0.595 nan 8.270 nan 0.000 0.436 251 G N -0.209 108.719 108.800 0.214 0.000 2.402 251 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 251 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 251 G C 1.322 176.357 174.900 0.224 0.000 1.162 251 G CA 1.056 46.309 45.100 0.254 0.000 0.777 251 G HN 0.225 nan 8.290 nan 0.000 0.539 252 T N 0.379 115.026 114.554 0.156 0.000 2.720 252 T HA -0.099 4.251 4.350 0.001 0.000 0.268 252 T C 2.220 176.960 174.700 0.067 0.000 1.037 252 T CA 1.574 63.731 62.100 0.096 0.000 1.144 252 T CB -0.127 68.778 68.868 0.062 0.000 0.864 252 T HN 0.364 nan 8.240 nan 0.000 0.444 253 K N 0.057 120.499 120.400 0.071 0.000 2.026 253 K HA -0.083 4.238 4.320 0.001 0.000 0.208 253 K C 2.099 178.756 176.600 0.096 0.000 1.048 253 K CA 1.285 57.605 56.287 0.054 0.000 0.929 253 K CB -0.292 32.230 32.500 0.037 0.000 0.713 253 K HN 0.339 nan 8.250 nan 0.000 0.439 254 F N 1.015 120.973 119.950 0.013 0.000 2.186 254 F HA 0.042 4.570 4.527 0.001 0.000 0.299 254 F C 1.809 177.629 175.800 0.033 0.000 1.090 254 F CA 1.611 59.623 58.000 0.019 0.000 1.307 254 F CB -0.741 38.273 39.000 0.023 0.000 1.019 254 F HN 0.075 nan 8.300 nan 0.000 0.489 255 G N 1.177 109.901 108.800 -0.126 0.000 2.469 255 G HA2 -0.254 3.707 3.960 0.001 0.000 0.219 255 G HA3 -0.254 3.707 3.960 0.001 0.000 0.219 255 G C 1.676 176.460 174.900 -0.193 0.000 1.150 255 G CA 1.450 46.430 45.100 -0.201 0.000 0.763 255 G HN 0.464 nan 8.290 nan 0.000 0.561 256 L N -0.615 120.542 121.223 -0.110 0.000 2.209 256 L HA 0.080 4.421 4.340 0.001 0.000 0.207 256 L C 3.034 179.849 176.870 -0.092 0.000 1.094 256 L CA 0.503 55.291 54.840 -0.087 0.000 0.790 256 L CB -0.365 41.665 42.059 -0.048 0.000 0.932 256 L HN 0.210 nan 8.230 nan 0.000 0.447 257 Q N -0.072 119.672 119.800 -0.092 0.000 2.020 257 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 257 Q C 2.045 177.987 176.000 -0.096 0.000 0.982 257 Q CA 1.837 57.601 55.803 -0.065 0.000 0.838 257 Q CB -0.084 28.647 28.738 -0.012 0.000 0.899 257 Q HN 0.365 nan 8.270 nan 0.000 0.423 258 S N -1.007 114.570 115.700 -0.205 0.000 2.650 258 S HA 0.164 4.634 4.470 0.001 0.000 0.219 258 S C 0.861 175.385 174.600 -0.125 0.000 0.960 258 S CA 0.565 58.651 58.200 -0.190 0.000 0.925 258 S CB 0.609 63.559 63.200 -0.417 0.000 0.775 258 S HN 0.643 nan 8.310 nan 0.000 0.525 259 G N 1.040 109.772 108.800 -0.113 0.000 2.138 259 G HA2 -0.118 3.843 3.960 0.001 0.000 0.193 259 G HA3 -0.118 3.843 3.960 0.001 0.000 0.193 259 G C 0.278 175.138 174.900 -0.067 0.000 0.998 259 G CA -0.483 44.579 45.100 -0.063 0.000 0.668 259 G HN 0.768 nan 8.290 nan 0.000 0.516 260 G N -0.526 108.209 108.800 -0.109 0.000 2.636 260 G HA2 0.447 4.407 3.960 0.001 0.000 0.246 260 G HA3 0.447 4.407 3.960 0.001 0.000 0.246 260 G C 0.327 175.135 174.900 -0.154 0.000 1.216 260 G CA -0.003 45.038 45.100 -0.099 0.000 0.854 260 G HN 0.631 nan 8.290 nan 0.000 0.572 261 R N 0.637 120.970 120.500 -0.278 0.000 2.399 261 R HA 0.135 4.476 4.340 0.001 0.000 0.324 261 R C 1.594 177.722 176.300 -0.285 0.000 1.030 261 R CA 0.298 56.141 56.100 -0.428 0.000 0.984 261 R CB -0.102 29.593 30.300 -1.008 0.000 0.961 261 R HN 0.548 nan 8.270 nan 0.000 0.433 262 T N 3.213 117.651 114.554 -0.194 0.000 2.607 262 T HA -0.177 4.174 4.350 0.001 0.000 0.267 262 T C 1.155 175.790 174.700 -0.109 0.000 1.049 262 T CA 1.461 63.489 62.100 -0.121 0.000 1.162 262 T CB -0.045 68.770 68.868 -0.089 0.000 0.863 262 T HN 0.611 nan 8.240 nan 0.000 0.424 263 E N 1.000 121.123 120.200 -0.129 0.000 2.204 263 E HA -0.035 4.316 4.350 0.001 0.000 0.195 263 E C 2.565 179.123 176.600 -0.070 0.000 0.990 263 E CA 0.695 57.045 56.400 -0.083 0.000 0.821 263 E CB -0.318 29.333 29.700 -0.081 0.000 0.750 263 E HN 0.399 nan 8.360 nan 0.000 0.477 264 S N 0.840 116.451 115.700 -0.148 0.000 2.383 264 S HA -0.035 4.436 4.470 0.001 0.000 0.227 264 S C 2.119 176.723 174.600 0.005 0.000 1.026 264 S CA 0.566 58.721 58.200 -0.075 0.000 0.981 264 S CB -0.085 63.009 63.200 -0.177 0.000 0.818 264 S HN 0.200 nan 8.310 nan 0.000 0.472 265 I N 0.984 121.540 120.570 -0.023 0.000 2.353 265 I HA -0.056 4.115 4.170 0.001 0.000 0.248 265 I C 1.299 177.451 176.117 0.058 0.000 1.119 265 I CA 1.120 62.437 61.300 0.029 0.000 1.417 265 I CB -0.106 37.895 38.000 0.002 0.000 1.078 265 I HN 0.180 nan 8.210 nan 0.000 0.421 266 L N 1.103 122.351 121.223 0.041 0.000 2.685 266 L HA 0.140 4.481 4.340 0.001 0.000 0.233 266 L C 1.977 178.905 176.870 0.097 0.000 1.173 266 L CA -0.137 54.743 54.840 0.068 0.000 0.961 266 L CB -0.106 41.978 42.059 0.042 0.000 1.217 266 L HN 0.283 nan 8.230 nan 0.000 0.478 267 I N -2.834 117.798 120.570 0.105 0.000 2.623 267 I HA -0.242 3.928 4.170 0.001 0.000 0.261 267 I C 2.515 178.750 176.117 0.196 0.000 1.204 267 I CA 1.532 62.914 61.300 0.138 0.000 1.444 267 I CB -0.564 37.520 38.000 0.140 0.000 1.094 267 I HN 0.293 nan 8.210 nan 0.000 0.451 268 S N 1.603 117.430 115.700 0.212 0.000 2.447 268 S HA 0.053 4.524 4.470 0.001 0.000 0.233 268 S C 0.979 175.840 174.600 0.435 0.000 1.006 268 S CA 0.173 58.559 58.200 0.310 0.000 0.957 268 S CB -0.910 62.438 63.200 0.246 0.000 0.773 268 S HN 0.478 nan 8.310 nan 0.000 0.507 269 L N 3.052 124.443 121.223 0.280 0.000 2.439 269 L HA 0.369 4.709 4.340 0.001 0.000 0.269 269 L C -2.075 174.865 176.870 0.116 0.000 1.179 269 L CA -2.137 52.835 54.840 0.220 0.000 0.828 269 L CB 0.117 42.259 42.059 0.137 0.000 1.106 269 L HN 0.125 nan 8.230 nan 0.000 0.467 270 P HA 0.219 nan 4.420 nan 0.000 0.276 270 P C -2.312 174.847 177.300 -0.236 0.000 1.252 270 P CA -1.598 61.202 63.100 -0.501 0.000 0.802 270 P CB 0.363 31.700 31.700 -0.605 0.000 1.035 271 P HA -0.039 nan 4.420 nan 0.000 0.215 271 P C 0.122 177.338 177.300 -0.141 0.000 1.157 271 P CA 1.630 64.650 63.100 -0.133 0.000 0.863 271 P CB 0.241 31.869 31.700 -0.119 0.000 0.787 272 R N -0.731 119.647 120.500 -0.203 0.000 2.744 272 R HA 0.800 5.140 4.340 0.001 0.000 0.279 272 R C -1.028 175.079 176.300 -0.322 0.000 0.977 272 R CA -0.818 55.152 56.100 -0.215 0.000 0.906 272 R CB 2.556 32.737 30.300 -0.198 0.000 1.197 272 R HN -0.052 nan 8.270 nan 0.000 0.463 273 A N 2.202 124.801 122.820 -0.368 0.000 2.515 273 A HA 0.705 5.026 4.320 0.001 0.000 0.298 273 A C -1.018 176.116 177.584 -0.750 0.000 1.059 273 A CA -0.931 50.729 52.037 -0.628 0.000 0.698 273 A CB 1.738 20.310 19.000 -0.713 0.000 1.289 273 A HN 0.681 nan 8.150 nan 0.000 0.404 274 R N 0.754 120.594 120.500 -1.099 0.000 2.740 274 R HA 0.580 4.920 4.340 0.001 0.000 0.282 274 R C -1.653 173.921 176.300 -1.210 0.000 0.969 274 R CA -0.586 54.821 56.100 -1.156 0.000 0.918 274 R CB 1.956 31.152 30.300 -1.839 0.000 1.175 274 R HN 0.741 nan 8.270 nan 0.000 0.464 275 W N 0.616 121.685 121.300 -0.385 0.000 2.957 275 W HA 0.483 5.144 4.660 0.001 0.000 0.336 275 W C -0.416 176.225 176.519 0.202 0.000 1.087 275 W CA -0.783 56.548 57.345 -0.025 0.000 1.235 275 W CB 2.521 31.990 29.460 0.014 0.000 1.399 275 W HN 0.778 nan 8.180 nan 0.000 0.480 276 G N 1.608 110.787 108.800 0.632 0.000 2.571 276 G HA2 0.418 4.379 3.960 0.001 0.000 0.304 276 G HA3 0.418 4.379 3.960 0.001 0.000 0.304 276 G C -2.129 173.049 174.900 0.463 0.000 1.314 276 G CA -0.759 44.666 45.100 0.542 0.000 0.975 276 G HN 0.333 nan 8.290 nan 0.000 0.485 277 Y N 2.264 122.727 120.300 0.271 0.000 2.569 277 Y HA 0.121 4.672 4.550 0.001 0.000 0.332 277 Y C 1.227 177.245 175.900 0.197 0.000 1.120 277 Y CA 0.232 58.456 58.100 0.205 0.000 1.416 277 Y CB 0.234 38.777 38.460 0.139 0.000 1.210 277 Y HN 0.673 nan 8.280 nan 0.000 0.528 278 N N 3.818 122.213 118.700 -0.508 0.000 2.741 278 N HA -0.309 4.432 4.740 0.001 0.000 0.250 278 N C -0.938 174.509 175.510 -0.105 0.000 1.115 278 N CA 0.996 53.804 53.050 -0.404 0.000 0.724 278 N CB -1.424 36.698 38.487 -0.609 0.000 1.090 278 N HN 0.839 nan 8.380 nan 0.000 0.558 279 W N 2.210 123.455 121.300 -0.091 0.000 2.322 279 W HA 0.167 4.828 4.660 0.001 0.000 0.328 279 W C 0.200 176.658 176.519 -0.102 0.000 1.395 279 W CA 0.377 57.649 57.345 -0.121 0.000 1.267 279 W CB 0.373 29.743 29.460 -0.150 0.000 1.259 279 W HN 0.058 nan 8.180 nan 0.000 0.560 280 Q N 7.762 126.861 119.800 -1.169 0.000 2.389 280 Q HA 0.387 4.727 4.340 0.001 0.000 0.277 280 Q C -2.254 172.987 176.000 -1.265 0.000 1.082 280 Q CA -2.220 52.907 55.803 -1.127 0.000 0.810 280 Q CB 2.255 30.691 28.738 -0.504 0.000 1.374 280 Q HN 0.302 nan 8.270 nan 0.000 0.422 281 P HA 0.058 nan 4.420 nan 0.000 0.274 281 P C -0.650 176.483 177.300 -0.278 0.000 1.231 281 P CA -0.292 62.551 63.100 -0.429 0.000 0.790 281 P CB 0.724 32.302 31.700 -0.203 0.000 0.951 282 E N 2.912 123.007 120.200 -0.175 0.000 2.406 282 E HA 0.087 4.438 4.350 0.001 0.000 0.258 282 E C -1.827 174.714 176.600 -0.097 0.000 1.043 282 E CA -1.350 54.978 56.400 -0.119 0.000 0.929 282 E CB -0.476 29.182 29.700 -0.070 0.000 0.969 282 E HN 0.345 nan 8.360 nan 0.000 0.462 283 P HA -0.007 nan 4.420 nan 0.000 0.265 283 P C 0.758 178.035 177.300 -0.039 0.000 1.193 283 P CA 0.477 63.540 63.100 -0.062 0.000 0.765 283 P CB 0.712 32.378 31.700 -0.056 0.000 0.823 284 G N 1.465 110.250 108.800 -0.025 0.000 2.179 284 G HA2 -0.179 3.782 3.960 0.001 0.000 0.220 284 G HA3 -0.179 3.782 3.960 0.001 0.000 0.220 284 G C 0.257 175.153 174.900 -0.007 0.000 0.990 284 G CA 0.284 45.376 45.100 -0.014 0.000 0.646 284 G HN 0.881 nan 8.290 nan 0.000 0.517 285 T N -2.154 112.391 114.554 -0.015 0.000 2.936 285 T HA 0.688 5.039 4.350 0.001 0.000 0.282 285 T C -1.112 173.598 174.700 0.018 0.000 1.003 285 T CA -1.025 61.071 62.100 -0.007 0.000 1.005 285 T CB 2.408 71.256 68.868 -0.034 0.000 1.097 285 T HN -0.118 nan 8.240 nan 0.000 0.532 286 P HA -0.039 nan 4.420 nan 0.000 0.219 286 P C 1.026 178.346 177.300 0.034 0.000 1.146 286 P CA 0.912 64.095 63.100 0.139 0.000 0.808 286 P CB 0.053 31.893 31.700 0.233 0.000 0.779 287 E N -0.428 119.664 120.200 -0.179 0.000 2.106 287 E HA -0.069 4.282 4.350 0.001 0.000 0.192 287 E C 2.128 178.557 176.600 -0.285 0.000 0.984 287 E CA 1.397 57.378 56.400 -0.698 0.000 0.806 287 E CB -0.968 28.199 29.700 -0.888 0.000 0.750 287 E HN 0.168 nan 8.360 nan 0.000 0.458 288 A N 0.485 123.240 122.820 -0.107 0.000 2.016 288 A HA -0.051 4.269 4.320 0.001 0.000 0.217 288 A C 2.060 179.697 177.584 0.088 0.000 1.162 288 A CA 1.121 53.151 52.037 -0.011 0.000 0.662 288 A CB -0.309 18.670 19.000 -0.035 0.000 0.812 288 A HN 0.088 nan 8.150 nan 0.000 0.450 289 R N -0.531 120.044 120.500 0.124 0.000 2.127 289 R HA -0.162 4.178 4.340 0.001 0.000 0.238 289 R C 1.904 178.455 176.300 0.417 0.000 1.134 289 R CA 1.577 57.824 56.100 0.245 0.000 0.975 289 R CB -0.494 29.970 30.300 0.273 0.000 0.865 289 R HN 0.441 nan 8.270 nan 0.000 0.447 290 L N 0.341 121.784 121.223 0.368 0.000 2.013 290 L HA -0.186 4.155 4.340 0.001 0.000 0.212 290 L C 1.970 179.048 176.870 0.346 0.000 1.073 290 L CA 2.635 57.714 54.840 0.397 0.000 0.753 290 L CB -0.786 41.431 42.059 0.264 0.000 0.890 290 L HN 0.430 nan 8.230 nan 0.000 0.432 291 T N -4.469 110.233 114.554 0.246 0.000 3.035 291 T HA 0.019 4.370 4.350 0.001 0.000 0.259 291 T C 1.632 176.425 174.700 0.155 0.000 1.078 291 T CA 0.734 62.941 62.100 0.179 0.000 1.132 291 T CB -0.321 68.624 68.868 0.129 0.000 0.900 291 T HN 0.441 nan 8.240 nan 0.000 0.480 292 E N -0.375 119.922 120.200 0.162 0.000 2.158 292 E HA 0.026 4.377 4.350 0.001 0.000 0.191 292 E C 1.449 178.152 176.600 0.172 0.000 0.982 292 E CA 0.843 57.323 56.400 0.133 0.000 0.823 292 E CB 0.028 29.793 29.700 0.107 0.000 0.766 292 E HN 0.626 nan 8.360 nan 0.000 0.468 293 Y N -1.144 119.187 120.300 0.052 0.000 2.886 293 Y HA 0.105 4.656 4.550 0.001 0.000 0.244 293 Y C 1.546 177.435 175.900 -0.018 0.000 1.017 293 Y CA 0.028 58.095 58.100 -0.056 0.000 1.389 293 Y CB -0.319 38.027 38.460 -0.189 0.000 1.477 293 Y HN -0.162 nan 8.280 nan 0.000 0.466 294 F N 1.068 121.091 119.950 0.122 0.000 2.134 294 F HA -0.181 4.347 4.527 0.001 0.000 0.299 294 F C 2.113 178.000 175.800 0.145 0.000 1.097 294 F CA 1.774 59.849 58.000 0.125 0.000 1.264 294 F CB -0.522 38.635 39.000 0.262 0.000 1.001 294 F HN 0.061 nan 8.300 nan 0.000 0.479 295 L N -0.558 120.843 121.223 0.296 0.000 2.395 295 L HA -0.068 4.272 4.340 0.001 0.000 0.218 295 L C 1.875 178.833 176.870 0.146 0.000 1.130 295 L CA 1.499 56.474 54.840 0.224 0.000 0.826 295 L CB -0.890 41.282 42.059 0.189 0.000 0.941 295 L HN 0.278 nan 8.230 nan 0.000 0.451 296 T N -5.332 109.254 114.554 0.055 0.000 3.044 296 T HA 0.036 4.387 4.350 0.001 0.000 0.260 296 T C 1.599 176.224 174.700 -0.125 0.000 1.019 296 T CA -0.313 61.785 62.100 -0.003 0.000 0.921 296 T CB 0.385 69.260 68.868 0.012 0.000 1.053 296 T HN 0.072 nan 8.240 nan 0.000 0.533 297 K N 1.948 122.186 120.400 -0.269 0.000 2.026 297 K HA -0.013 4.308 4.320 0.001 0.000 0.208 297 K C 0.453 176.801 176.600 -0.419 0.000 1.048 297 K CA 0.669 56.651 56.287 -0.508 0.000 0.929 297 K CB -0.158 31.729 32.500 -1.022 0.000 0.713 297 K HN 0.228 nan 8.250 nan 0.000 0.439 298 R N 0.846 121.157 120.500 -0.314 0.000 3.109 298 R HA -0.207 4.133 4.340 0.001 0.000 0.241 298 R C -0.744 175.393 176.300 -0.271 0.000 0.882 298 R CA 0.618 56.605 56.100 -0.189 0.000 0.604 298 R CB -1.173 29.086 30.300 -0.069 0.000 1.040 298 R HN 0.303 nan 8.270 nan 0.000 0.480 299 Q N -0.783 118.707 119.800 -0.516 0.000 2.869 299 Q HA 0.124 4.464 4.340 0.001 0.000 0.213 299 Q C -1.164 174.528 176.000 -0.512 0.000 0.762 299 Q CA -0.179 55.417 55.803 -0.344 0.000 1.065 299 Q CB 0.144 28.741 28.738 -0.234 0.000 1.594 299 Q HN 0.330 nan 8.270 nan 0.000 0.503 300 W N 2.637 123.890 121.300 -0.077 0.000 2.893 300 W HA 0.358 5.018 4.660 0.001 0.000 0.253 300 W C 0.881 177.432 176.519 0.053 0.000 1.171 300 W CA 0.573 57.903 57.345 -0.024 0.000 1.480 300 W CB 0.801 30.207 29.460 -0.091 0.000 0.963 300 W HN 0.452 nan 8.180 nan 0.000 0.637 301 V N 0.000 120.084 119.914 0.283 0.000 2.409 301 V HA 0.000 4.121 4.120 0.001 0.000 0.244 301 V CA 0.000 62.409 62.300 0.181 0.000 1.235 301 V CB 0.000 31.880 31.823 0.095 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556