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 2vvm_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IXXXXXXXXW DVIVIGGGYC DATA SEQUENCE GLTATRDLTV AGFKTLLLEA RDRIGGRSWS SNIDGYPYEM GGTWVHWHQS DATA SEQUENCE HVWREITRYK MHNALSPSFN FSRGVNHFQL RTNPTTSTYM THEAEDELLR DATA SEQUENCE SALHKFTNVD GTNGRTVLPF PHDMFYVPEF RKYDEMSYSE RIDQIRDELS DATA SEQUENCE LNERSSLEAF ILLCSGGTLE NSSFGEFLHW WAMSGYTYQG CMDCLMSYKF DATA SEQUENCE KDGQSAFARR FWEEAAGTGR LGYVFGCPVR SVVNERDAAR VTARDGREFV DATA SEQUENCE AKRVVCTIPL NVLSTIQFSP ALSTERISAM QAGHVSMCTK VHAEVDNKDM DATA SEQUENCE RSWTGIAYPF NKLCYAIGDG TTPAGNTHLV CFGNSANHIQ PDEDVRETLK DATA SEQUENCE AVGQLAPGTF GVKRLVFHNW VKDEFAKGAW FFSRPGMVSE CLQGLREKHG DATA SEQUENCE GVVFANSDWA LGWRSFIDGA IEEGTRAARV VLEELG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.541 32.600 -0.098 0.000 1.302 2 T N 1.688 116.209 114.554 -0.054 0.000 2.771 2 T HA 0.422 4.777 4.350 0.007 0.000 0.291 2 T C 0.405 175.061 174.700 -0.074 0.000 0.954 2 T CA -0.036 62.038 62.100 -0.044 0.000 1.045 2 T CB 1.249 70.095 68.868 -0.037 0.000 0.917 2 T HN 0.576 nan 8.240 nan 0.000 0.484 3 S N 1.570 117.228 115.700 -0.071 0.000 2.632 3 S HA 0.250 4.724 4.470 0.007 0.000 0.271 3 S C 1.452 175.981 174.600 -0.118 0.000 1.260 3 S CA -0.780 57.331 58.200 -0.148 0.000 1.010 3 S CB 0.647 63.681 63.200 -0.276 0.000 0.965 3 S HN 0.691 nan 8.310 nan 0.000 0.534 4 R N 0.781 121.197 120.500 -0.140 0.000 2.148 4 R HA 0.042 4.386 4.340 0.007 0.000 0.223 4 R C -0.150 176.078 176.300 -0.120 0.000 1.088 4 R CA 0.600 56.634 56.100 -0.109 0.000 0.985 4 R CB -0.169 30.085 30.300 -0.077 0.000 0.880 4 R HN 0.613 nan 8.270 nan 0.000 0.451 5 D N 0.024 120.329 120.400 -0.158 0.000 2.357 5 D HA 0.311 4.955 4.640 0.007 0.000 0.242 5 D C 0.660 177.074 176.300 0.191 0.000 1.153 5 D CA 0.986 54.954 54.000 -0.054 0.000 0.918 5 D CB 0.906 41.418 40.800 -0.480 0.000 1.181 5 D HN 0.276 nan 8.370 nan 0.000 0.435 6 G N -0.307 108.751 108.800 0.430 0.000 2.699 6 G HA2 -0.078 3.886 3.960 0.007 0.000 0.686 6 G HA3 -0.078 3.886 3.960 0.007 0.000 0.686 6 G C -1.610 173.159 174.900 -0.219 0.000 1.301 6 G CA -0.837 44.445 45.100 0.303 0.000 0.816 6 G HN 0.341 nan 8.290 nan 0.000 0.595 7 Y N -0.226 119.948 120.300 -0.210 0.000 2.553 7 Y HA 0.763 5.317 4.550 0.007 0.000 0.347 7 Y C 0.317 175.916 175.900 -0.501 0.000 1.019 7 Y CA -0.654 57.197 58.100 -0.415 0.000 1.032 7 Y CB 2.539 40.530 38.460 -0.782 0.000 1.284 7 Y HN 0.826 nan 8.280 nan 0.000 0.466 8 Q N 1.598 121.308 119.800 -0.150 0.000 2.359 8 Q HA 0.389 4.734 4.340 0.007 0.000 0.274 8 Q C -2.206 173.818 176.000 0.040 0.000 1.074 8 Q CA -0.819 54.906 55.803 -0.129 0.000 0.810 8 Q CB 2.505 31.167 28.738 -0.125 0.000 1.342 8 Q HN 0.790 nan 8.270 nan 0.000 0.427 9 W N 3.408 124.655 121.300 -0.088 0.000 2.785 9 W HA 0.629 5.294 4.660 0.007 0.000 0.333 9 W C -1.293 175.220 176.519 -0.011 0.000 1.062 9 W CA -0.324 57.015 57.345 -0.010 0.000 1.233 9 W CB 1.842 31.338 29.460 0.060 0.000 1.413 9 W HN 0.670 nan 8.180 nan 0.000 0.489 10 T N 2.330 116.351 114.554 -0.888 0.000 2.896 10 T HA 0.449 4.803 4.350 0.007 0.000 0.297 10 T C -2.432 171.288 174.700 -1.635 0.000 1.108 10 T CA -1.895 59.561 62.100 -1.073 0.000 1.004 10 T CB 2.094 70.681 68.868 -0.468 0.000 1.159 10 T HN 0.172 nan 8.240 nan 0.000 0.499 11 P HA -0.120 nan 4.420 nan 0.000 0.217 11 P C 1.282 178.348 177.300 -0.391 0.000 1.148 11 P CA 0.929 63.638 63.100 -0.651 0.000 0.828 11 P CB 0.227 31.773 31.700 -0.256 0.000 0.783 12 E N -0.837 119.154 120.200 -0.349 0.000 2.250 12 E HA -0.056 4.298 4.350 0.007 0.000 0.192 12 E C 1.461 177.955 176.600 -0.178 0.000 0.986 12 E CA 1.459 57.740 56.400 -0.198 0.000 0.849 12 E CB -0.149 29.463 29.700 -0.148 0.000 0.797 12 E HN 0.272 nan 8.360 nan 0.000 0.482 13 T N -2.783 111.619 114.554 -0.254 0.000 3.022 13 T HA 0.347 4.701 4.350 0.007 0.000 0.250 13 T C 1.169 175.776 174.700 -0.156 0.000 1.060 13 T CA 0.683 62.676 62.100 -0.178 0.000 1.013 13 T CB 0.281 69.051 68.868 -0.163 0.000 0.982 13 T HN 0.282 nan 8.240 nan 0.000 0.508 14 G N 1.758 110.398 108.800 -0.266 0.000 2.601 14 G HA2 -0.180 3.784 3.960 0.007 0.000 0.261 14 G HA3 -0.180 3.784 3.960 0.007 0.000 0.261 14 G C -0.487 174.443 174.900 0.049 0.000 1.289 14 G CA -0.161 44.891 45.100 -0.080 0.000 0.920 14 G HN 0.845 nan 8.290 nan 0.000 0.571 15 L N 1.738 123.153 121.223 0.319 0.000 2.313 15 L HA 0.654 4.998 4.340 0.007 0.000 0.282 15 L C 1.134 178.112 176.870 0.179 0.000 1.092 15 L CA 0.807 55.834 54.840 0.312 0.000 0.831 15 L CB 0.825 43.078 42.059 0.324 0.000 1.159 15 L HN 1.253 nan 8.230 nan 0.000 0.442 16 T N 1.847 116.482 114.554 0.135 0.000 2.887 16 T HA 0.505 4.859 4.350 0.007 0.000 0.288 16 T C -0.569 174.165 174.700 0.056 0.000 1.021 16 T CA -0.801 61.343 62.100 0.074 0.000 1.000 16 T CB 1.557 70.427 68.868 0.004 0.000 1.034 16 T HN 0.684 nan 8.240 nan 0.000 0.467 17 Q N 0.581 120.361 119.800 -0.035 0.000 2.282 17 Q HA 0.561 4.905 4.340 0.007 0.000 0.260 17 Q C -0.042 175.841 176.000 -0.195 0.000 0.964 17 Q CA -0.122 55.522 55.803 -0.265 0.000 0.880 17 Q CB 1.021 29.572 28.738 -0.312 0.000 1.286 17 Q HN 1.504 nan 8.270 nan 0.000 0.445 18 G N 0.936 109.603 108.800 -0.221 0.000 3.322 18 G HA2 0.010 3.974 3.960 0.007 0.000 0.686 18 G HA3 0.010 3.974 3.960 0.007 0.000 0.686 18 G C -0.968 173.908 174.900 -0.040 0.000 1.015 18 G CA -0.359 44.681 45.100 -0.101 0.000 0.826 18 G HN 1.121 nan 8.290 nan 0.000 0.538 19 V N 0.344 120.283 119.914 0.041 0.000 3.040 19 V HA 1.000 5.124 4.120 0.007 0.000 0.312 19 V C -2.280 173.872 176.094 0.095 0.000 1.115 19 V CA -2.402 59.931 62.300 0.056 0.000 0.998 19 V CB 2.372 34.223 31.823 0.048 0.000 1.042 19 V HN 0.770 nan 8.190 nan 0.000 0.433 20 P HA 0.331 nan 4.420 nan 0.000 0.269 20 P C -0.457 176.913 177.300 0.117 0.000 1.215 20 P CA 0.308 63.440 63.100 0.053 0.000 0.780 20 P CB 1.280 32.994 31.700 0.023 0.000 0.898 21 S N 1.262 117.011 115.700 0.082 0.000 2.543 21 S HA 0.226 4.701 4.470 0.007 0.000 0.273 21 S C 0.656 175.256 174.600 -0.000 0.000 1.152 21 S CA -0.558 57.710 58.200 0.114 0.000 0.910 21 S CB 0.409 63.785 63.200 0.293 0.000 1.105 21 S HN 0.065 nan 8.310 nan 0.000 0.465 22 L N 4.333 125.551 121.223 -0.009 0.000 2.349 22 L HA 0.113 4.457 4.340 0.007 0.000 0.220 22 L C 2.416 179.207 176.870 -0.132 0.000 1.130 22 L CA 2.259 57.060 54.840 -0.066 0.000 0.791 22 L CB -1.059 40.971 42.059 -0.049 0.000 0.918 22 L HN 0.907 nan 8.230 nan 0.000 0.444 23 G N -1.502 107.229 108.800 -0.115 0.000 2.572 23 G HA2 -0.023 3.941 3.960 0.007 0.000 0.216 23 G HA3 -0.023 3.941 3.960 0.007 0.000 0.216 23 G C 0.667 175.324 174.900 -0.406 0.000 1.133 23 G CA -0.068 44.892 45.100 -0.233 0.000 0.791 23 G HN 0.167 nan 8.290 nan 0.000 0.538 24 V N 2.753 122.463 119.914 -0.340 0.000 2.521 24 V HA 0.122 4.246 4.120 0.007 0.000 0.286 24 V C 0.077 175.860 176.094 -0.518 0.000 1.034 24 V CA -0.284 61.763 62.300 -0.423 0.000 1.045 24 V CB 1.143 32.801 31.823 -0.275 0.000 0.974 24 V HN 0.084 nan 8.190 nan 0.000 0.480 25 I N 4.566 124.670 120.570 -0.776 0.000 2.321 25 I HA 0.399 4.573 4.170 0.007 0.000 0.291 25 I C 0.235 176.097 176.117 -0.424 0.000 0.998 25 I CA 0.382 61.206 61.300 -0.792 0.000 1.227 25 I CB 1.276 38.386 38.000 -1.483 0.000 1.368 25 I HN 0.620 nan 8.210 nan 0.000 0.466 26 S N 7.932 123.509 115.700 -0.205 0.000 2.594 26 S HA 0.725 5.199 4.470 0.007 0.000 0.296 26 S C -2.283 172.349 174.600 0.054 0.000 1.124 26 S CA -0.868 57.298 58.200 -0.056 0.000 1.011 26 S CB 1.365 64.524 63.200 -0.068 0.000 1.016 26 S HN 0.523 nan 8.310 nan 0.000 0.485 27 P HA 0.367 nan 4.420 nan 0.000 0.274 27 P C -2.282 175.152 177.300 0.224 0.000 1.237 27 P CA -1.279 61.895 63.100 0.123 0.000 0.793 27 P CB 0.159 31.928 31.700 0.115 0.000 0.977 28 P HA -0.026 nan 4.420 nan 0.000 0.234 28 P C 0.375 177.957 177.300 0.470 0.000 1.167 28 P CA 1.029 64.292 63.100 0.272 0.000 0.763 28 P CB 0.420 32.210 31.700 0.151 0.000 0.835 29 T N 0.273 114.974 114.554 0.247 0.000 2.894 29 T HA 0.355 4.709 4.350 0.007 0.000 0.309 29 T C -0.137 174.360 174.700 -0.339 0.000 1.208 29 T CA -0.644 61.400 62.100 -0.093 0.000 1.016 29 T CB 0.936 69.795 68.868 -0.016 0.000 1.192 29 T HN -0.051 nan 8.240 nan 0.000 0.491 30 N N 2.668 120.964 118.700 -0.673 0.000 2.197 30 N HA 0.207 4.951 4.740 0.007 0.000 0.228 30 N C 0.339 175.762 175.510 -0.144 0.000 1.212 30 N CA -0.294 52.539 53.050 -0.361 0.000 0.883 30 N CB -0.193 38.058 38.487 -0.392 0.000 1.107 30 N HN 0.779 nan 8.380 nan 0.000 0.519 41 D N 0.656 121.269 120.400 0.354 0.000 2.103 41 D HA 0.018 4.662 4.640 0.007 0.000 0.199 41 D C 0.341 176.755 176.300 0.191 0.000 0.978 41 D CA 1.549 55.715 54.000 0.277 0.000 0.829 41 D CB 0.457 41.502 40.800 0.407 0.000 0.981 41 D HN -0.009 nan 8.370 nan 0.000 0.464 42 V N 0.937 120.960 119.914 0.180 0.000 2.841 42 V HA 0.380 4.505 4.120 0.007 0.000 0.310 42 V C -0.293 175.793 176.094 -0.013 0.000 1.090 42 V CA -0.803 61.524 62.300 0.046 0.000 0.930 42 V CB 2.827 34.626 31.823 -0.039 0.000 1.014 42 V HN -0.122 nan 8.190 nan 0.000 0.425 43 I N 3.228 123.758 120.570 -0.067 0.000 2.354 43 I HA 0.475 4.649 4.170 0.007 0.000 0.292 43 I C -0.615 175.413 176.117 -0.148 0.000 0.989 43 I CA -0.774 60.422 61.300 -0.173 0.000 1.188 43 I CB 1.959 39.862 38.000 -0.162 0.000 1.342 43 I HN 0.320 nan 8.210 nan 0.000 0.457 44 V N 7.733 127.540 119.914 -0.179 0.000 2.347 44 V HA 0.374 4.498 4.120 0.007 0.000 0.280 44 V C 0.169 176.164 176.094 -0.166 0.000 1.021 44 V CA -0.469 61.749 62.300 -0.137 0.000 0.847 44 V CB 1.372 33.131 31.823 -0.106 0.000 0.990 44 V HN 0.461 nan 8.190 nan 0.000 0.444 45 I N 4.927 125.422 120.570 -0.126 0.000 2.301 45 I HA 0.678 4.853 4.170 0.007 0.000 0.292 45 I C 0.788 176.848 176.117 -0.096 0.000 1.046 45 I CA 0.138 61.362 61.300 -0.126 0.000 1.282 45 I CB 0.944 38.900 38.000 -0.073 0.000 1.409 45 I HN 0.862 nan 8.210 nan 0.000 0.484 46 G N 3.722 112.436 108.800 -0.143 0.000 3.233 46 G HA2 0.029 3.994 3.960 0.007 0.000 0.686 46 G HA3 0.029 3.994 3.960 0.007 0.000 0.686 46 G C -0.031 174.794 174.900 -0.125 0.000 1.153 46 G CA -0.500 44.528 45.100 -0.120 0.000 0.853 46 G HN 0.964 nan 8.290 nan 0.000 0.582 47 G N 0.701 109.417 108.800 -0.140 0.000 4.098 47 G HA2 0.677 4.641 3.960 0.007 0.000 0.300 47 G HA3 0.677 4.641 3.960 0.007 0.000 0.300 47 G C 0.903 175.709 174.900 -0.157 0.000 1.187 47 G CA 0.961 45.993 45.100 -0.114 0.000 0.964 47 G HN 1.318 nan 8.290 nan 0.000 0.559 48 G N -0.586 108.123 108.800 -0.153 0.000 2.553 48 G HA2 0.292 4.256 3.960 0.007 0.000 0.278 48 G HA3 0.292 4.256 3.960 0.007 0.000 0.278 48 G C 0.656 175.387 174.900 -0.282 0.000 1.349 48 G CA -0.489 44.481 45.100 -0.217 0.000 1.037 48 G HN 0.139 nan 8.290 nan 0.000 0.508 49 Y N -1.180 119.033 120.300 -0.145 0.000 2.256 49 Y HA -0.134 4.420 4.550 0.007 0.000 0.288 49 Y C 2.926 178.682 175.900 -0.240 0.000 1.155 49 Y CA 1.079 59.010 58.100 -0.283 0.000 1.203 49 Y CB -0.722 37.618 38.460 -0.201 0.000 0.980 49 Y HN 0.420 nan 8.280 nan 0.000 0.530 50 C N -0.146 119.150 119.300 -0.007 0.000 2.462 50 C HA -0.083 4.381 4.460 0.007 0.000 0.278 50 C C 3.072 178.040 174.990 -0.037 0.000 1.253 50 C CA 1.637 60.638 59.018 -0.028 0.000 1.713 50 C CB -1.358 26.349 27.740 -0.055 0.000 2.049 50 C HN 0.670 nan 8.230 nan 0.000 0.477 51 G N 0.306 109.074 108.800 -0.054 0.000 2.418 51 G HA2 -0.143 3.821 3.960 0.007 0.000 0.217 51 G HA3 -0.143 3.821 3.960 0.007 0.000 0.217 51 G C 1.628 176.511 174.900 -0.029 0.000 1.158 51 G CA 1.041 46.113 45.100 -0.047 0.000 0.771 51 G HN 0.600 nan 8.290 nan 0.000 0.545 52 L N 0.410 121.592 121.223 -0.068 0.000 2.046 52 L HA -0.103 4.241 4.340 0.007 0.000 0.208 52 L C 3.206 180.113 176.870 0.061 0.000 1.077 52 L CA 1.620 56.444 54.840 -0.028 0.000 0.747 52 L CB -0.767 41.162 42.059 -0.217 0.000 0.896 52 L HN 0.177 nan 8.230 nan 0.000 0.432 53 T N -0.223 114.329 114.554 -0.004 0.000 2.737 53 T HA -0.156 4.199 4.350 0.007 0.000 0.265 53 T C 2.025 176.806 174.700 0.134 0.000 1.038 53 T CA 1.318 63.513 62.100 0.159 0.000 1.144 53 T CB -0.271 68.673 68.868 0.126 0.000 0.866 53 T HN 0.440 nan 8.240 nan 0.000 0.434 54 A N 1.410 124.270 122.820 0.065 0.000 1.877 54 A HA -0.145 4.179 4.320 0.007 0.000 0.216 54 A C 2.570 180.181 177.584 0.045 0.000 1.186 54 A CA 2.198 54.261 52.037 0.043 0.000 0.620 54 A CB -1.339 17.666 19.000 0.008 0.000 0.822 54 A HN 0.479 nan 8.150 nan 0.000 0.443 55 T N -0.598 113.981 114.554 0.042 0.000 2.746 55 T HA -0.149 4.205 4.350 0.007 0.000 0.267 55 T C 2.145 176.884 174.700 0.065 0.000 1.039 55 T CA 1.330 63.451 62.100 0.034 0.000 1.142 55 T CB -0.272 68.605 68.868 0.014 0.000 0.866 55 T HN 0.420 nan 8.240 nan 0.000 0.444 56 R N 1.370 121.940 120.500 0.117 0.000 2.080 56 R HA -0.134 4.211 4.340 0.007 0.000 0.236 56 R C 1.809 178.179 176.300 0.116 0.000 1.137 56 R CA 1.908 58.091 56.100 0.138 0.000 0.943 56 R CB -0.849 29.609 30.300 0.262 0.000 0.846 56 R HN 0.296 nan 8.270 nan 0.000 0.431 57 D N 0.625 121.098 120.400 0.123 0.000 2.104 57 D HA -0.141 4.503 4.640 0.007 0.000 0.194 57 D C 2.107 178.484 176.300 0.127 0.000 0.994 57 D CA 1.210 55.276 54.000 0.109 0.000 0.830 57 D CB -0.265 40.595 40.800 0.100 0.000 0.959 57 D HN 0.220 nan 8.370 nan 0.000 0.452 58 L N 0.473 121.768 121.223 0.121 0.000 2.027 58 L HA -0.150 4.194 4.340 0.007 0.000 0.206 58 L C 2.685 179.716 176.870 0.269 0.000 1.074 58 L CA 1.658 56.613 54.840 0.191 0.000 0.745 58 L CB -0.908 41.193 42.059 0.069 0.000 0.898 58 L HN 0.172 nan 8.230 nan 0.000 0.433 59 T N -3.165 111.484 114.554 0.158 0.000 2.746 59 T HA -0.141 4.213 4.350 0.007 0.000 0.267 59 T C 1.821 176.575 174.700 0.090 0.000 1.039 59 T CA 1.254 63.426 62.100 0.120 0.000 1.142 59 T CB -0.821 68.081 68.868 0.057 0.000 0.866 59 T HN 0.077 nan 8.240 nan 0.000 0.444 60 V N 2.171 122.135 119.914 0.083 0.000 2.407 60 V HA -0.031 4.093 4.120 0.007 0.000 0.248 60 V C 3.099 179.228 176.094 0.059 0.000 1.055 60 V CA 1.591 63.926 62.300 0.058 0.000 1.049 60 V CB -1.248 30.607 31.823 0.052 0.000 0.662 60 V HN 0.719 nan 8.190 nan 0.000 0.455 61 A N -0.915 121.972 122.820 0.112 0.000 2.235 61 A HA 0.390 4.714 4.320 0.007 0.000 0.208 61 A C 1.879 179.438 177.584 -0.040 0.000 1.172 61 A CA 1.097 53.197 52.037 0.104 0.000 0.786 61 A CB -0.359 18.792 19.000 0.251 0.000 0.804 61 A HN 1.165 nan 8.150 nan 0.000 0.479 62 G N -2.328 106.447 108.800 -0.043 0.000 2.168 62 G HA2 -0.186 3.779 3.960 0.007 0.000 0.197 62 G HA3 -0.186 3.779 3.960 0.007 0.000 0.197 62 G C -0.108 174.652 174.900 -0.233 0.000 0.997 62 G CA -0.187 44.809 45.100 -0.173 0.000 0.658 62 G HN 0.280 nan 8.290 nan 0.000 0.513 63 F N 1.462 121.437 119.950 0.042 0.000 2.410 63 F HA 0.499 5.031 4.527 0.007 0.000 0.348 63 F C 0.963 176.817 175.800 0.089 0.000 1.106 63 F CA -0.499 57.537 58.000 0.060 0.000 1.163 63 F CB 1.283 40.319 39.000 0.059 0.000 1.129 63 F HN -0.038 nan 8.300 nan 0.000 0.516 64 K N 2.675 123.249 120.400 0.289 0.000 2.363 64 K HA 0.215 4.539 4.320 0.007 0.000 0.289 64 K C -0.863 176.009 176.600 0.454 0.000 1.063 64 K CA 0.122 56.606 56.287 0.327 0.000 0.967 64 K CB 0.150 32.791 32.500 0.235 0.000 0.987 64 K HN 0.676 nan 8.250 nan 0.000 0.473 65 T N 5.070 119.833 114.554 0.348 0.000 2.812 65 T HA 0.273 4.628 4.350 0.007 0.000 0.282 65 T C -1.203 173.374 174.700 -0.206 0.000 0.990 65 T CA -0.734 61.432 62.100 0.110 0.000 0.960 65 T CB 1.087 69.987 68.868 0.053 0.000 0.948 65 T HN 0.416 nan 8.240 nan 0.000 0.438 66 L N 4.421 125.313 121.223 -0.551 0.000 2.280 66 L HA 0.637 4.982 4.340 0.007 0.000 0.287 66 L C -0.968 175.586 176.870 -0.527 0.000 1.023 66 L CA -0.773 53.508 54.840 -0.931 0.000 0.819 66 L CB 0.798 41.842 42.059 -1.691 0.000 1.212 66 L HN 0.661 nan 8.230 nan 0.000 0.420 67 L N 6.180 127.179 121.223 -0.374 0.000 2.264 67 L HA 0.525 4.870 4.340 0.007 0.000 0.289 67 L C -1.192 175.436 176.870 -0.404 0.000 1.044 67 L CA -0.274 54.393 54.840 -0.288 0.000 0.807 67 L CB 0.681 42.673 42.059 -0.113 0.000 1.192 67 L HN 0.619 nan 8.230 nan 0.000 0.425 68 L N 4.841 125.801 121.223 -0.439 0.000 2.296 68 L HA 0.573 4.918 4.340 0.007 0.000 0.286 68 L C -0.628 175.979 176.870 -0.439 0.000 1.023 68 L CA -0.533 54.014 54.840 -0.489 0.000 0.812 68 L CB 1.682 43.438 42.059 -0.505 0.000 1.223 68 L HN 0.522 nan 8.230 nan 0.000 0.421 69 E N 1.942 121.825 120.200 -0.529 0.000 2.256 69 E HA 0.546 4.900 4.350 0.007 0.000 0.268 69 E C 0.043 176.421 176.600 -0.369 0.000 0.877 69 E CA -0.330 55.792 56.400 -0.463 0.000 0.757 69 E CB 2.134 31.462 29.700 -0.620 0.000 1.183 69 E HN 0.547 nan 8.360 nan 0.000 0.418 70 A N 4.895 127.451 122.820 -0.441 0.000 1.930 70 A HA 0.015 4.340 4.320 0.007 0.000 0.217 70 A C 1.025 178.302 177.584 -0.512 0.000 1.175 70 A CA 0.933 52.575 52.037 -0.658 0.000 0.627 70 A CB -0.223 17.895 19.000 -1.470 0.000 0.815 70 A HN 0.599 nan 8.150 nan 0.000 0.443 71 R N -0.133 120.148 120.500 -0.364 0.000 2.574 71 R HA 0.266 4.610 4.340 0.007 0.000 0.266 71 R C 0.231 176.512 176.300 -0.032 0.000 1.157 71 R CA 0.212 56.211 56.100 -0.169 0.000 1.187 71 R CB 0.065 30.263 30.300 -0.171 0.000 1.179 71 R HN 0.447 nan 8.270 nan 0.000 0.600 72 D N -0.331 120.007 120.400 -0.103 0.000 2.328 72 D HA -0.008 4.636 4.640 0.007 0.000 0.221 72 D C -0.061 176.005 176.300 -0.389 0.000 1.072 72 D CA 0.009 53.916 54.000 -0.155 0.000 0.850 72 D CB 0.037 40.738 40.800 -0.166 0.000 0.922 72 D HN 0.419 nan 8.370 nan 0.000 0.516 73 R N -0.343 119.952 120.500 -0.341 0.000 2.781 73 R HA 0.607 4.952 4.340 0.007 0.000 0.269 73 R C -0.263 175.858 176.300 -0.297 0.000 1.025 73 R CA -1.148 54.653 56.100 -0.499 0.000 0.914 73 R CB 1.031 31.043 30.300 -0.481 0.000 1.236 73 R HN 0.053 nan 8.270 nan 0.000 0.465 74 I N -2.097 118.239 120.570 -0.391 0.000 3.062 74 I HA 0.774 4.948 4.170 0.007 0.000 0.318 74 I C 0.668 176.622 176.117 -0.271 0.000 1.026 74 I CA 0.005 61.143 61.300 -0.270 0.000 1.096 74 I CB 1.534 39.318 38.000 -0.361 0.000 1.348 74 I HN 0.941 nan 8.210 nan 0.000 0.543 75 G N 0.647 109.257 108.800 -0.316 0.000 2.308 75 G HA2 -0.041 3.923 3.960 0.007 0.000 0.221 75 G HA3 -0.041 3.923 3.960 0.007 0.000 0.221 75 G C 1.013 175.799 174.900 -0.189 0.000 1.032 75 G CA 0.227 45.112 45.100 -0.358 0.000 0.623 75 G HN 2.087 nan 8.290 nan 0.000 0.506 76 G N 0.451 109.192 108.800 -0.099 0.000 2.602 76 G HA2 -0.401 3.563 3.960 0.007 0.000 0.310 76 G HA3 -0.401 3.563 3.960 0.007 0.000 0.310 76 G C 0.858 175.890 174.900 0.220 0.000 1.183 76 G CA 1.381 46.500 45.100 0.031 0.000 0.979 76 G HN 1.203 nan 8.290 nan 0.000 0.545 77 R N 1.017 121.592 120.500 0.125 0.000 2.328 77 R HA 0.387 4.731 4.340 0.007 0.000 0.200 77 R C 0.754 177.062 176.300 0.014 0.000 0.983 77 R CA 0.849 56.867 56.100 -0.137 0.000 1.062 77 R CB -0.030 30.123 30.300 -0.246 0.000 0.956 77 R HN 0.383 nan 8.270 nan 0.000 0.479 78 S N 0.861 116.739 115.700 0.296 0.000 2.672 78 S HA 0.523 4.997 4.470 0.007 0.000 0.291 78 S C -1.711 173.189 174.600 0.499 0.000 1.145 78 S CA -0.843 57.590 58.200 0.388 0.000 1.013 78 S CB 0.705 64.175 63.200 0.450 0.000 1.017 78 S HN 0.376 nan 8.310 nan 0.000 0.487 79 W N 2.334 123.754 121.300 0.200 0.000 3.275 79 W HA 0.617 5.281 4.660 0.007 0.000 0.306 79 W C -1.623 174.969 176.519 0.121 0.000 1.259 79 W CA -0.836 56.578 57.345 0.115 0.000 1.194 79 W CB 0.282 29.772 29.460 0.049 0.000 1.375 79 W HN 0.707 nan 8.180 nan 0.000 0.564 80 S N 0.767 116.520 115.700 0.089 0.000 2.536 80 S HA 0.716 5.191 4.470 0.007 0.000 0.298 80 S C -1.095 173.474 174.600 -0.053 0.000 1.083 80 S CA -0.742 57.401 58.200 -0.095 0.000 0.995 80 S CB 2.230 65.401 63.200 -0.049 0.000 1.058 80 S HN 0.690 nan 8.310 nan 0.000 0.488 81 S N 1.617 117.245 115.700 -0.121 0.000 2.552 81 S HA 0.456 4.930 4.470 0.007 0.000 0.314 81 S C -1.256 173.364 174.600 0.033 0.000 1.099 81 S CA -0.818 57.370 58.200 -0.020 0.000 1.070 81 S CB 0.012 63.171 63.200 -0.068 0.000 0.998 81 S HN 0.679 nan 8.310 nan 0.000 0.474 82 N N 4.717 123.433 118.700 0.026 0.000 2.408 82 N HA 0.401 5.145 4.740 0.007 0.000 0.257 82 N C -0.865 174.694 175.510 0.081 0.000 1.064 82 N CA 0.056 53.123 53.050 0.029 0.000 0.952 82 N CB 0.576 39.057 38.487 -0.010 0.000 1.093 82 N HN 0.601 nan 8.380 nan 0.000 0.490 83 I N 1.061 121.733 120.570 0.171 0.000 2.478 83 I HA 0.119 4.294 4.170 0.007 0.000 0.287 83 I C -0.256 175.970 176.117 0.181 0.000 1.042 83 I CA -0.676 60.722 61.300 0.164 0.000 1.067 83 I CB 1.623 39.716 38.000 0.154 0.000 1.233 83 I HN 0.235 nan 8.210 nan 0.000 0.431 84 D N 5.327 125.784 120.400 0.095 0.000 2.701 84 D HA -0.202 4.443 4.640 0.007 0.000 0.235 84 D C 1.136 177.487 176.300 0.085 0.000 1.155 84 D CA 1.852 55.897 54.000 0.075 0.000 0.649 84 D CB -0.779 40.061 40.800 0.066 0.000 1.050 84 D HN 1.178 nan 8.370 nan 0.000 0.425 85 G N -0.812 108.032 108.800 0.072 0.000 2.143 85 G HA2 -0.344 3.620 3.960 0.007 0.000 0.249 85 G HA3 -0.344 3.620 3.960 0.007 0.000 0.249 85 G C -0.133 174.809 174.900 0.069 0.000 0.981 85 G CA 0.383 45.515 45.100 0.053 0.000 0.665 85 G HN 0.561 nan 8.290 nan 0.000 0.528 86 Y N 1.406 121.648 120.300 -0.097 0.000 2.391 86 Y HA 0.606 5.160 4.550 0.007 0.000 0.341 86 Y C -2.469 173.225 175.900 -0.343 0.000 0.965 86 Y CA -2.550 55.400 58.100 -0.250 0.000 1.067 86 Y CB 2.631 40.864 38.460 -0.378 0.000 1.199 86 Y HN 0.025 nan 8.280 nan 0.000 0.450 87 P HA 0.171 nan 4.420 nan 0.000 0.287 87 P C -1.658 175.198 177.300 -0.740 0.000 1.294 87 P CA 0.105 62.869 63.100 -0.559 0.000 0.776 87 P CB 0.331 31.776 31.700 -0.426 0.000 0.889 88 Y N 1.413 121.506 120.300 -0.346 0.000 2.341 88 Y HA 0.182 4.736 4.550 0.007 0.000 0.340 88 Y C 1.279 176.905 175.900 -0.456 0.000 0.997 88 Y CA -0.192 57.615 58.100 -0.488 0.000 1.149 88 Y CB 1.032 39.244 38.460 -0.413 0.000 1.171 88 Y HN 0.245 nan 8.280 nan 0.000 0.494 89 E N 5.190 125.195 120.200 -0.326 0.000 1.996 89 E HA 0.094 4.448 4.350 0.007 0.000 0.280 89 E C 0.472 177.142 176.600 0.117 0.000 1.092 89 E CA -0.110 56.221 56.400 -0.115 0.000 0.862 89 E CB 0.915 30.552 29.700 -0.106 0.000 1.066 89 E HN 0.763 nan 8.360 nan 0.000 0.396 90 M N 0.912 120.432 119.600 -0.133 0.000 2.319 90 M HA 0.016 4.500 4.480 0.007 0.000 0.265 90 M C 1.206 177.824 176.300 0.530 0.000 1.068 90 M CA 0.870 56.152 55.300 -0.029 0.000 1.118 90 M CB -0.506 31.494 32.600 -1.000 0.000 1.395 90 M HN 0.439 nan 8.290 nan 0.000 0.435 91 G N -0.951 108.102 108.800 0.422 0.000 3.366 91 G HA2 0.498 4.463 3.960 0.007 0.000 0.179 91 G HA3 0.498 4.463 3.960 0.007 0.000 0.179 91 G C -0.346 174.674 174.900 0.199 0.000 1.143 91 G CA -0.101 45.224 45.100 0.375 0.000 0.810 91 G HN 0.367 nan 8.290 nan 0.000 0.697 92 G N -0.382 108.497 108.800 0.133 0.000 2.265 92 G HA2 0.397 4.361 3.960 0.007 0.000 0.240 92 G HA3 0.397 4.361 3.960 0.007 0.000 0.240 92 G C 0.395 175.343 174.900 0.081 0.000 1.270 92 G CA 0.977 46.148 45.100 0.118 0.000 0.901 92 G HN 0.483 nan 8.290 nan 0.000 0.507 93 T N 1.793 116.317 114.554 -0.049 0.000 3.280 93 T HA 0.149 4.503 4.350 0.007 0.000 0.256 93 T C 0.352 174.861 174.700 -0.318 0.000 0.995 93 T CA -0.057 61.846 62.100 -0.327 0.000 1.144 93 T CB 0.297 68.581 68.868 -0.973 0.000 1.140 93 T HN 0.545 nan 8.240 nan 0.000 0.423 94 W N 3.486 124.778 121.300 -0.013 0.000 2.381 94 W HA 0.619 5.284 4.660 0.008 0.000 0.329 94 W C -0.196 176.240 176.519 -0.139 0.000 1.157 94 W CA -0.888 56.403 57.345 -0.089 0.000 1.240 94 W CB 0.798 30.201 29.460 -0.095 0.000 1.199 94 W HN 0.085 nan 8.180 nan 0.000 0.579 95 V N -0.546 119.391 119.914 0.038 0.000 3.181 95 V HA 0.643 4.767 4.120 0.007 0.000 0.308 95 V C -1.035 175.025 176.094 -0.056 0.000 1.214 95 V CA -0.788 61.461 62.300 -0.085 0.000 1.053 95 V CB 2.769 34.484 31.823 -0.180 0.000 1.069 95 V HN 0.724 nan 8.190 nan 0.000 0.441 96 H N 0.604 119.496 119.070 -0.298 0.000 3.064 96 H HA 0.253 4.813 4.556 0.007 0.000 0.352 96 H C -0.654 174.296 175.328 -0.630 0.000 1.260 96 H CA 0.013 55.707 56.048 -0.590 0.000 1.160 96 H CB 1.924 31.211 29.762 -0.791 0.000 1.879 96 H HN 0.996 nan 8.280 nan 0.000 0.544 97 W N 1.983 122.492 121.300 -1.318 0.000 2.825 97 W HA 0.099 4.763 4.660 0.007 0.000 0.243 97 W C 0.548 176.815 176.519 -0.420 0.000 1.293 97 W CA 0.179 56.639 57.345 -1.476 0.000 1.403 97 W CB -0.618 27.532 29.460 -2.185 0.000 1.134 97 W HN 0.510 nan 8.180 nan 0.000 0.666 98 H N 0.505 119.462 119.070 -0.188 0.000 2.547 98 H HA 0.153 4.713 4.556 0.007 0.000 0.266 98 H C 0.289 175.605 175.328 -0.020 0.000 0.988 98 H CA 0.051 56.081 56.048 -0.030 0.000 1.147 98 H CB 0.149 29.873 29.762 -0.063 0.000 1.365 98 H HN 0.239 nan 8.280 nan 0.000 0.589 99 Q N 0.713 120.444 119.800 -0.114 0.000 2.425 99 Q HA 0.109 4.454 4.340 0.007 0.000 0.254 99 Q C 0.712 176.730 176.000 0.030 0.000 1.032 99 Q CA -0.304 55.292 55.803 -0.345 0.000 0.798 99 Q CB 2.052 30.283 28.738 -0.845 0.000 1.210 99 Q HN 0.151 nan 8.270 nan 0.000 0.491 100 S N 2.839 118.624 115.700 0.142 0.000 2.359 100 S HA -0.222 4.252 4.470 0.007 0.000 0.224 100 S C 1.386 175.974 174.600 -0.021 0.000 1.035 100 S CA 1.508 59.723 58.200 0.024 0.000 1.018 100 S CB 0.022 63.120 63.200 -0.171 0.000 0.876 100 S HN 0.708 nan 8.310 nan 0.000 0.448 101 H N -0.439 118.747 119.070 0.194 0.000 2.343 101 H HA 0.075 4.636 4.556 0.007 0.000 0.303 101 H C 2.489 177.941 175.328 0.207 0.000 1.068 101 H CA 1.401 57.559 56.048 0.183 0.000 1.359 101 H CB -0.949 28.918 29.762 0.175 0.000 1.402 101 H HN 0.379 nan 8.280 nan 0.000 0.515 102 V N 1.285 121.381 119.914 0.303 0.000 2.407 102 V HA -0.201 3.923 4.120 0.007 0.000 0.248 102 V C 2.170 178.429 176.094 0.276 0.000 1.055 102 V CA 1.437 63.914 62.300 0.295 0.000 1.049 102 V CB -0.496 31.426 31.823 0.164 0.000 0.662 102 V HN 0.540 nan 8.190 nan 0.000 0.455 103 W N 0.647 121.982 121.300 0.057 0.000 2.388 103 W HA -0.154 4.511 4.660 0.008 0.000 0.294 103 W C 2.627 179.187 176.519 0.069 0.000 1.212 103 W CA 1.693 59.067 57.345 0.049 0.000 1.271 103 W CB -0.187 29.301 29.460 0.047 0.000 1.126 103 W HN 0.188 nan 8.180 nan 0.000 0.535 104 R N 1.082 121.654 120.500 0.119 0.000 2.091 104 R HA -0.180 4.164 4.340 0.007 0.000 0.238 104 R C 1.723 177.977 176.300 -0.078 0.000 1.136 104 R CA 1.717 57.820 56.100 0.006 0.000 0.959 104 R CB -0.586 29.742 30.300 0.047 0.000 0.856 104 R HN 0.140 nan 8.270 nan 0.000 0.437 105 E N 0.675 120.902 120.200 0.045 0.000 2.047 105 E HA -0.140 4.214 4.350 0.007 0.000 0.191 105 E C 2.232 178.881 176.600 0.081 0.000 0.987 105 E CA 1.016 57.438 56.400 0.036 0.000 0.799 105 E CB -0.381 29.565 29.700 0.409 0.000 0.752 105 E HN 0.416 nan 8.360 nan 0.000 0.449 106 I N 1.200 121.819 120.570 0.081 0.000 2.151 106 I HA -0.296 3.879 4.170 0.007 0.000 0.243 106 I C 2.330 178.299 176.117 -0.247 0.000 1.080 106 I CA 1.564 62.793 61.300 -0.118 0.000 1.339 106 I CB -0.441 37.251 38.000 -0.514 0.000 1.039 106 I HN 0.092 nan 8.210 nan 0.000 0.409 107 T N -0.115 114.148 114.554 -0.486 0.000 2.777 107 T HA -0.190 4.164 4.350 0.007 0.000 0.266 107 T C 2.003 176.590 174.700 -0.189 0.000 1.040 107 T CA 1.192 63.063 62.100 -0.382 0.000 1.141 107 T CB -0.272 68.307 68.868 -0.482 0.000 0.868 107 T HN 0.301 nan 8.240 nan 0.000 0.444 108 R N -0.156 120.208 120.500 -0.225 0.000 2.096 108 R HA -0.082 4.262 4.340 0.007 0.000 0.235 108 R C 1.453 177.635 176.300 -0.197 0.000 1.127 108 R CA 1.277 57.227 56.100 -0.249 0.000 0.968 108 R CB -0.222 29.855 30.300 -0.373 0.000 0.861 108 R HN 0.360 nan 8.270 nan 0.000 0.440 109 Y N 0.950 121.208 120.300 -0.070 0.000 2.502 109 Y HA 0.153 4.707 4.550 0.007 0.000 0.295 109 Y C 0.208 176.096 175.900 -0.020 0.000 1.193 109 Y CA 0.130 58.195 58.100 -0.059 0.000 1.295 109 Y CB -0.076 38.345 38.460 -0.065 0.000 1.059 109 Y HN 0.016 nan 8.280 nan 0.000 0.514 110 K N -0.526 119.959 120.400 0.141 0.000 3.077 110 K HA -0.259 4.065 4.320 0.007 0.000 0.264 110 K C 0.366 176.967 176.600 0.001 0.000 1.008 110 K CA 0.811 57.196 56.287 0.163 0.000 0.740 110 K CB -1.693 30.875 32.500 0.113 0.000 1.273 110 K HN 0.414 nan 8.250 nan 0.000 0.477 111 M N -0.225 119.387 119.600 0.021 0.000 2.405 111 M HA 0.037 4.521 4.480 0.007 0.000 0.292 111 M C 1.692 177.919 176.300 -0.122 0.000 1.111 111 M CA -0.154 55.122 55.300 -0.041 0.000 0.979 111 M CB 0.147 32.801 32.600 0.090 0.000 1.426 111 M HN 0.298 nan 8.290 nan 0.000 0.509 112 H N 0.259 119.217 119.070 -0.186 0.000 2.456 112 H HA -0.056 4.504 4.556 0.007 0.000 0.296 112 H C 1.002 176.313 175.328 -0.028 0.000 1.079 112 H CA 1.522 57.432 56.048 -0.230 0.000 1.322 112 H CB -0.795 28.811 29.762 -0.259 0.000 1.388 112 H HN 0.463 nan 8.280 nan 0.000 0.538 113 N N 1.077 119.474 118.700 -0.505 0.000 2.322 113 N HA 0.140 4.884 4.740 0.007 0.000 0.194 113 N C 0.748 176.175 175.510 -0.138 0.000 1.126 113 N CA 0.531 53.415 53.050 -0.277 0.000 0.845 113 N CB 0.126 38.401 38.487 -0.353 0.000 0.976 113 N HN 0.402 nan 8.380 nan 0.000 0.475 114 A N 0.563 123.333 122.820 -0.083 0.000 2.713 114 A HA 0.451 4.775 4.320 0.007 0.000 0.296 114 A C -0.042 177.588 177.584 0.077 0.000 1.255 114 A CA -0.549 51.493 52.037 0.009 0.000 0.955 114 A CB -0.243 18.781 19.000 0.039 0.000 1.149 114 A HN 0.202 nan 8.150 nan 0.000 0.538 115 L N -0.507 120.732 121.223 0.027 0.000 2.334 115 L HA 0.633 4.977 4.340 0.007 0.000 0.270 115 L C 0.042 176.938 176.870 0.043 0.000 1.018 115 L CA -0.580 54.272 54.840 0.019 0.000 0.811 115 L CB 2.077 44.136 42.059 0.001 0.000 1.271 115 L HN 0.091 nan 8.230 nan 0.000 0.443 116 S N 0.980 116.728 115.700 0.080 0.000 2.526 116 S HA 0.553 5.027 4.470 0.007 0.000 0.293 116 S C -2.655 172.076 174.600 0.218 0.000 1.092 116 S CA -1.071 57.196 58.200 0.112 0.000 0.980 116 S CB 2.225 65.468 63.200 0.071 0.000 1.048 116 S HN 0.360 nan 8.310 nan 0.000 0.483 117 P HA 0.328 nan 4.420 nan 0.000 0.286 117 P C 0.078 177.449 177.300 0.117 0.000 1.269 117 P CA -0.297 62.962 63.100 0.265 0.000 0.787 117 P CB 1.295 33.147 31.700 0.253 0.000 0.920 118 S N 2.195 117.923 115.700 0.045 0.000 2.368 118 S HA -0.017 4.458 4.470 0.007 0.000 0.224 118 S C 0.635 175.057 174.600 -0.297 0.000 1.029 118 S CA 1.050 59.195 58.200 -0.092 0.000 0.988 118 S CB -0.578 62.540 63.200 -0.137 0.000 0.838 118 S HN 0.424 nan 8.310 nan 0.000 0.462 119 F N 2.465 122.344 119.950 -0.117 0.000 2.410 119 F HA 0.473 5.005 4.527 0.008 0.000 0.348 119 F C 0.609 176.197 175.800 -0.352 0.000 1.106 119 F CA -0.738 57.069 58.000 -0.323 0.000 1.163 119 F CB 0.420 39.060 39.000 -0.600 0.000 1.129 119 F HN -0.015 nan 8.300 nan 0.000 0.516 120 N N 3.423 122.038 118.700 -0.142 0.000 2.594 120 N HA 0.184 4.929 4.740 0.007 0.000 0.280 120 N C -1.066 174.532 175.510 0.146 0.000 1.156 120 N CA -0.318 52.702 53.050 -0.050 0.000 0.831 120 N CB 0.409 38.934 38.487 0.063 0.000 1.379 120 N HN 0.260 nan 8.380 nan 0.000 0.536 121 F N 1.083 121.091 119.950 0.097 0.000 2.668 121 F HA 0.175 4.705 4.527 0.007 0.000 0.297 121 F C 2.190 178.051 175.800 0.101 0.000 1.124 121 F CA -0.390 57.672 58.000 0.102 0.000 1.353 121 F CB -0.521 38.528 39.000 0.081 0.000 0.992 121 F HN 0.454 nan 8.300 nan 0.000 0.524 122 S N 0.743 116.584 115.700 0.235 0.000 2.453 122 S HA 0.012 4.486 4.470 0.007 0.000 0.231 122 S C 0.806 175.490 174.600 0.140 0.000 1.005 122 S CA -0.001 58.295 58.200 0.160 0.000 0.949 122 S CB -0.091 63.176 63.200 0.112 0.000 0.774 122 S HN 0.539 nan 8.310 nan 0.000 0.510 123 R N -1.556 119.035 120.500 0.153 0.000 2.733 123 R HA 0.667 5.011 4.340 0.007 0.000 0.272 123 R C 0.267 176.641 176.300 0.124 0.000 1.029 123 R CA -0.611 55.559 56.100 0.117 0.000 0.888 123 R CB 0.297 30.652 30.300 0.093 0.000 1.251 123 R HN 0.537 nan 8.270 nan 0.000 0.464 124 G N -0.129 108.723 108.800 0.088 0.000 2.545 124 G HA2 -0.225 3.739 3.960 0.007 0.000 0.216 124 G HA3 -0.225 3.739 3.960 0.007 0.000 0.216 124 G C 0.629 175.551 174.900 0.036 0.000 1.314 124 G CA 0.219 45.361 45.100 0.071 0.000 0.906 124 G HN 1.444 nan 8.290 nan 0.000 0.563 125 V N -1.764 118.143 119.914 -0.012 0.000 2.490 125 V HA 0.034 4.158 4.120 0.007 0.000 0.250 125 V C 1.562 177.537 176.094 -0.198 0.000 1.061 125 V CA 2.454 64.656 62.300 -0.162 0.000 1.064 125 V CB -1.192 30.405 31.823 -0.377 0.000 0.670 125 V HN 2.592 nan 8.190 nan 0.000 0.461 126 N N 1.600 120.262 118.700 -0.062 0.000 2.714 126 N HA -0.223 4.521 4.740 0.007 0.000 0.252 126 N C -0.296 175.096 175.510 -0.196 0.000 1.014 126 N CA 1.372 54.414 53.050 -0.013 0.000 0.735 126 N CB -1.772 36.745 38.487 0.049 0.000 0.924 126 N HN 1.189 nan 8.380 nan 0.000 0.540 127 H N -2.280 116.663 119.070 -0.211 0.000 2.985 127 H HA 0.618 5.178 4.556 0.007 0.000 0.360 127 H C -1.343 173.735 175.328 -0.418 0.000 1.221 127 H CA -1.267 54.535 56.048 -0.410 0.000 1.121 127 H CB 0.072 29.793 29.762 -0.069 0.000 1.854 127 H HN 0.007 nan 8.280 nan 0.000 0.551 128 F N 1.790 121.552 119.950 -0.313 0.000 2.415 128 F HA 0.393 4.924 4.527 0.007 0.000 0.348 128 F C -0.322 175.369 175.800 -0.182 0.000 1.119 128 F CA -0.670 57.176 58.000 -0.256 0.000 1.069 128 F CB 1.647 40.507 39.000 -0.233 0.000 1.124 128 F HN 0.770 nan 8.300 nan 0.000 0.472 129 Q N 7.059 126.446 119.800 -0.687 0.000 2.400 129 Q HA 0.463 4.808 4.340 0.007 0.000 0.255 129 Q C -1.955 173.474 176.000 -0.952 0.000 1.008 129 Q CA -0.973 54.418 55.803 -0.687 0.000 0.841 129 Q CB 1.213 29.920 28.738 -0.051 0.000 1.220 129 Q HN 0.798 nan 8.270 nan 0.000 0.474 130 L N 4.753 125.365 121.223 -1.018 0.000 2.272 130 L HA 0.506 4.850 4.340 0.007 0.000 0.289 130 L C -1.207 175.466 176.870 -0.328 0.000 1.032 130 L CA -0.030 54.387 54.840 -0.704 0.000 0.810 130 L CB 1.091 42.775 42.059 -0.625 0.000 1.205 130 L HN 0.601 nan 8.230 nan 0.000 0.422 131 R N 3.124 123.560 120.500 -0.106 0.000 2.360 131 R HA 0.400 4.744 4.340 0.007 0.000 0.318 131 R C 0.238 176.703 176.300 0.275 0.000 0.950 131 R CA 0.173 56.327 56.100 0.089 0.000 0.837 131 R CB 1.322 31.779 30.300 0.263 0.000 1.165 131 R HN 0.780 nan 8.270 nan 0.000 0.458 132 T N -1.585 113.078 114.554 0.183 0.000 3.023 132 T HA 0.065 4.419 4.350 0.007 0.000 0.253 132 T C 0.298 175.091 174.700 0.154 0.000 1.038 132 T CA -0.157 62.070 62.100 0.212 0.000 0.962 132 T CB -0.233 68.694 68.868 0.098 0.000 1.018 132 T HN 0.672 nan 8.240 nan 0.000 0.521 133 N N -0.453 118.193 118.700 -0.090 0.000 2.610 133 N HA 0.492 5.236 4.740 0.007 0.000 0.264 133 N C -3.024 171.843 175.510 -1.072 0.000 1.348 133 N CA -1.904 50.833 53.050 -0.521 0.000 0.819 133 N CB 1.030 39.355 38.487 -0.271 0.000 1.521 133 N HN -0.314 nan 8.380 nan 0.000 0.497 134 P HA -0.023 nan 4.420 nan 0.000 0.230 134 P C 0.484 177.529 177.300 -0.425 0.000 1.158 134 P CA 1.227 63.729 63.100 -0.997 0.000 0.769 134 P CB 0.039 31.388 31.700 -0.584 0.000 0.807 135 T N -5.984 108.378 114.554 -0.320 0.000 3.023 135 T HA 0.152 4.506 4.350 0.007 0.000 0.253 135 T C 0.705 175.329 174.700 -0.127 0.000 1.038 135 T CA 0.195 62.190 62.100 -0.176 0.000 0.962 135 T CB -0.550 68.235 68.868 -0.139 0.000 1.018 135 T HN 0.136 nan 8.240 nan 0.000 0.521 136 T N -1.127 113.340 114.554 -0.144 0.000 2.864 136 T HA 0.764 5.118 4.350 0.007 0.000 0.289 136 T C -0.988 173.642 174.700 -0.117 0.000 1.082 136 T CA -0.743 61.295 62.100 -0.103 0.000 1.009 136 T CB 2.139 70.949 68.868 -0.096 0.000 1.234 136 T HN 0.039 nan 8.240 nan 0.000 0.526 137 S N -0.127 115.479 115.700 -0.157 0.000 2.546 137 S HA 0.711 5.185 4.470 0.007 0.000 0.274 137 S C -0.999 173.346 174.600 -0.424 0.000 1.121 137 S CA -0.804 57.193 58.200 -0.338 0.000 0.887 137 S CB 2.084 64.973 63.200 -0.519 0.000 1.094 137 S HN 0.900 nan 8.310 nan 0.000 0.474 138 T N 2.760 117.013 114.554 -0.500 0.000 2.779 138 T HA 0.550 4.904 4.350 0.007 0.000 0.280 138 T C -1.361 172.969 174.700 -0.617 0.000 0.987 138 T CA -0.232 61.624 62.100 -0.406 0.000 0.966 138 T CB 0.227 68.951 68.868 -0.239 0.000 0.933 138 T HN 0.421 nan 8.240 nan 0.000 0.442 139 Y N 3.590 123.743 120.300 -0.244 0.000 2.360 139 Y HA 0.719 5.274 4.550 0.007 0.000 0.337 139 Y C 0.470 176.247 175.900 -0.204 0.000 1.039 139 Y CA -1.235 56.664 58.100 -0.336 0.000 1.109 139 Y CB 1.305 39.508 38.460 -0.428 0.000 1.201 139 Y HN 0.552 nan 8.280 nan 0.000 0.458 140 M N -0.053 119.534 119.600 -0.023 0.000 2.683 140 M HA 0.636 5.121 4.480 0.007 0.000 0.274 140 M C -0.683 175.614 176.300 -0.005 0.000 1.272 140 M CA -1.059 54.254 55.300 0.022 0.000 0.833 140 M CB 2.051 34.686 32.600 0.058 0.000 1.708 140 M HN 0.572 nan 8.290 nan 0.000 0.463 141 T N -2.355 112.183 114.554 -0.026 0.000 2.802 141 T HA 0.197 4.551 4.350 0.007 0.000 0.305 141 T C 0.816 175.428 174.700 -0.147 0.000 1.053 141 T CA -0.033 62.010 62.100 -0.096 0.000 1.058 141 T CB 0.235 69.084 68.868 -0.031 0.000 0.988 141 T HN 0.718 nan 8.240 nan 0.000 0.539 142 H N -0.159 118.847 119.070 -0.107 0.000 2.457 142 H HA -0.007 4.553 4.556 0.007 0.000 0.294 142 H C 2.155 177.434 175.328 -0.082 0.000 1.064 142 H CA 1.631 57.573 56.048 -0.178 0.000 1.330 142 H CB 0.005 29.492 29.762 -0.459 0.000 1.395 142 H HN 0.890 nan 8.280 nan 0.000 0.541 143 E N 0.769 121.002 120.200 0.055 0.000 2.051 143 E HA -0.130 4.224 4.350 0.007 0.000 0.192 143 E C 2.329 178.932 176.600 0.006 0.000 0.991 143 E CA 0.895 57.317 56.400 0.036 0.000 0.799 143 E CB 0.111 29.832 29.700 0.034 0.000 0.748 143 E HN 0.376 nan 8.360 nan 0.000 0.449 144 A N 1.277 124.096 122.820 -0.001 0.000 1.930 144 A HA -0.233 4.092 4.320 0.007 0.000 0.217 144 A C 2.058 179.624 177.584 -0.029 0.000 1.175 144 A CA 1.644 53.678 52.037 -0.005 0.000 0.627 144 A CB -0.582 18.426 19.000 0.013 0.000 0.815 144 A HN 0.464 nan 8.150 nan 0.000 0.443 145 E N -0.009 120.163 120.200 -0.047 0.000 2.038 145 E HA -0.280 4.074 4.350 0.007 0.000 0.195 145 E C 1.345 177.800 176.600 -0.242 0.000 1.000 145 E CA 1.596 57.862 56.400 -0.223 0.000 0.803 145 E CB -0.233 29.240 29.700 -0.379 0.000 0.750 145 E HN 0.513 nan 8.360 nan 0.000 0.448 146 D N 0.317 120.651 120.400 -0.109 0.000 2.116 146 D HA -0.206 4.438 4.640 0.007 0.000 0.193 146 D C 1.918 178.143 176.300 -0.124 0.000 0.998 146 D CA 1.487 55.464 54.000 -0.038 0.000 0.836 146 D CB -0.362 40.468 40.800 0.051 0.000 0.951 146 D HN 0.224 nan 8.370 nan 0.000 0.449 147 E N 0.346 120.493 120.200 -0.089 0.000 2.077 147 E HA -0.128 4.226 4.350 0.007 0.000 0.193 147 E C 1.983 178.505 176.600 -0.130 0.000 0.989 147 E CA 0.451 56.800 56.400 -0.085 0.000 0.800 147 E CB -0.469 29.203 29.700 -0.048 0.000 0.746 147 E HN 0.203 nan 8.360 nan 0.000 0.452 148 L N -0.071 121.064 121.223 -0.147 0.000 1.994 148 L HA -0.130 4.214 4.340 0.007 0.000 0.208 148 L C 2.148 178.864 176.870 -0.256 0.000 1.071 148 L CA 1.579 56.327 54.840 -0.153 0.000 0.745 148 L CB -0.626 41.371 42.059 -0.103 0.000 0.892 148 L HN 0.229 nan 8.230 nan 0.000 0.431 149 L N -0.227 120.734 121.223 -0.437 0.000 2.083 149 L HA -0.196 4.149 4.340 0.007 0.000 0.209 149 L C 2.758 179.242 176.870 -0.644 0.000 1.083 149 L CA 1.676 56.094 54.840 -0.704 0.000 0.752 149 L CB -1.361 39.931 42.059 -1.279 0.000 0.899 149 L HN 0.475 nan 8.230 nan 0.000 0.433 150 R N -0.544 119.657 120.500 -0.497 0.000 2.073 150 R HA -0.179 4.165 4.340 0.007 0.000 0.234 150 R C 2.536 178.798 176.300 -0.064 0.000 1.134 150 R CA 1.894 57.882 56.100 -0.188 0.000 0.952 150 R CB -0.146 30.114 30.300 -0.066 0.000 0.850 150 R HN 0.248 nan 8.270 nan 0.000 0.433 151 S N -0.197 115.449 115.700 -0.090 0.000 2.353 151 S HA -0.160 4.314 4.470 0.007 0.000 0.222 151 S C 2.001 176.598 174.600 -0.005 0.000 1.035 151 S CA 1.522 59.706 58.200 -0.026 0.000 1.025 151 S CB -0.261 62.910 63.200 -0.048 0.000 0.902 151 S HN 0.537 nan 8.310 nan 0.000 0.440 152 A N 1.096 123.861 122.820 -0.092 0.000 1.898 152 A HA 0.104 4.428 4.320 0.007 0.000 0.216 152 A C 2.256 179.781 177.584 -0.097 0.000 1.181 152 A CA 1.391 53.362 52.037 -0.109 0.000 0.620 152 A CB -0.814 18.078 19.000 -0.180 0.000 0.819 152 A HN 0.571 nan 8.150 nan 0.000 0.442 153 L N -1.428 119.716 121.223 -0.132 0.000 2.141 153 L HA -0.171 4.173 4.340 0.007 0.000 0.209 153 L C 2.562 179.407 176.870 -0.042 0.000 1.094 153 L CA 1.509 56.290 54.840 -0.099 0.000 0.763 153 L CB -0.559 41.462 42.059 -0.064 0.000 0.908 153 L HN 0.668 nan 8.230 nan 0.000 0.437 154 H N 0.676 119.739 119.070 -0.012 0.000 2.290 154 H HA -0.183 4.376 4.556 0.005 0.000 0.298 154 H C 2.216 177.543 175.328 -0.003 0.000 1.087 154 H CA 1.901 57.970 56.048 0.035 0.000 1.291 154 H CB 0.139 29.932 29.762 0.052 0.000 1.369 154 H HN 0.103 nan 8.280 nan 0.000 0.492 155 K N -0.855 119.504 120.400 -0.067 0.000 2.057 155 K HA -0.128 4.196 4.320 0.007 0.000 0.207 155 K C 2.123 178.660 176.600 -0.106 0.000 1.049 155 K CA 1.318 57.535 56.287 -0.116 0.000 0.931 155 K CB -0.326 32.166 32.500 -0.014 0.000 0.714 155 K HN 0.199 nan 8.250 nan 0.000 0.440 156 F N 1.995 121.811 119.950 -0.224 0.000 2.095 156 F HA -0.232 4.300 4.527 0.008 0.000 0.298 156 F C 2.406 178.117 175.800 -0.148 0.000 1.104 156 F CA 2.009 59.874 58.000 -0.225 0.000 1.232 156 F CB -0.536 38.308 39.000 -0.259 0.000 0.987 156 F HN 0.071 nan 8.300 nan 0.000 0.475 157 T N -2.863 111.566 114.554 -0.209 0.000 3.081 157 T HA 0.018 4.372 4.350 0.007 0.000 0.255 157 T C 1.141 175.712 174.700 -0.215 0.000 1.113 157 T CA 0.324 62.244 62.100 -0.300 0.000 1.082 157 T CB -0.624 67.776 68.868 -0.780 0.000 0.939 157 T HN 0.089 nan 8.240 nan 0.000 0.506 158 N N 2.441 120.988 118.700 -0.255 0.000 3.243 158 N HA 0.120 4.864 4.740 0.007 0.000 0.310 158 N C 1.341 176.754 175.510 -0.163 0.000 1.313 158 N CA -0.119 52.794 53.050 -0.229 0.000 1.204 158 N CB 0.105 38.337 38.487 -0.425 0.000 1.483 158 N HN 0.462 nan 8.380 nan 0.000 0.553 159 V N -1.981 117.837 119.914 -0.160 0.000 2.871 159 V HA 0.011 4.135 4.120 0.007 0.000 0.256 159 V C 0.840 176.907 176.094 -0.046 0.000 1.082 159 V CA 1.538 63.746 62.300 -0.154 0.000 1.105 159 V CB -0.282 31.286 31.823 -0.424 0.000 0.713 159 V HN 0.361 nan 8.190 nan 0.000 0.473 160 D N -1.099 119.281 120.400 -0.034 0.000 2.527 160 D HA 0.312 4.957 4.640 0.007 0.000 0.224 160 D C 1.527 177.842 176.300 0.025 0.000 1.217 160 D CA 0.400 54.419 54.000 0.030 0.000 0.819 160 D CB 0.383 41.215 40.800 0.054 0.000 1.061 160 D HN 0.719 nan 8.370 nan 0.000 0.515 161 G N 0.728 109.532 108.800 0.006 0.000 2.225 161 G HA2 -0.307 3.657 3.960 0.007 0.000 0.254 161 G HA3 -0.307 3.657 3.960 0.007 0.000 0.254 161 G C 0.882 175.805 174.900 0.037 0.000 0.988 161 G CA 0.828 45.941 45.100 0.021 0.000 0.625 161 G HN 0.868 nan 8.290 nan 0.000 0.527 162 T N -2.458 112.114 114.554 0.031 0.000 3.393 162 T HA 0.393 4.748 4.350 0.007 0.000 0.298 162 T C 0.630 175.380 174.700 0.083 0.000 1.004 162 T CA 0.630 62.750 62.100 0.034 0.000 0.956 162 T CB -0.212 68.638 68.868 -0.030 0.000 1.182 162 T HN 0.710 nan 8.240 nan 0.000 0.497 163 N N 1.521 120.291 118.700 0.117 0.000 2.727 163 N HA -0.230 4.514 4.740 0.007 0.000 0.249 163 N C 1.153 176.887 175.510 0.372 0.000 1.048 163 N CA 1.245 54.440 53.050 0.240 0.000 0.714 163 N CB -1.591 37.195 38.487 0.500 0.000 0.959 163 N HN 1.159 nan 8.380 nan 0.000 0.544 164 G N -0.637 108.276 108.800 0.187 0.000 2.213 164 G HA2 -0.348 3.616 3.960 0.007 0.000 0.226 164 G HA3 -0.348 3.616 3.960 0.007 0.000 0.226 164 G C 0.953 175.957 174.900 0.173 0.000 0.992 164 G CA 0.458 45.703 45.100 0.241 0.000 0.632 164 G HN 0.486 nan 8.290 nan 0.000 0.511 165 R N 0.151 120.586 120.500 -0.108 0.000 2.152 165 R HA 0.029 4.373 4.340 0.007 0.000 0.232 165 R C 2.475 178.665 176.300 -0.183 0.000 1.117 165 R CA 1.778 57.615 56.100 -0.438 0.000 0.981 165 R CB -0.278 29.671 30.300 -0.585 0.000 0.870 165 R HN 0.461 nan 8.270 nan 0.000 0.451 166 T N 0.072 114.595 114.554 -0.051 0.000 2.901 166 T HA -0.044 4.311 4.350 0.007 0.000 0.252 166 T C 1.928 176.686 174.700 0.097 0.000 1.035 166 T CA 1.215 63.324 62.100 0.015 0.000 1.142 166 T CB 0.078 68.966 68.868 0.035 0.000 0.869 166 T HN 0.207 nan 8.240 nan 0.000 0.442 167 V N -1.027 118.976 119.914 0.147 0.000 2.951 167 V HA 0.350 4.474 4.120 0.007 0.000 0.255 167 V C 0.844 177.081 176.094 0.239 0.000 1.088 167 V CA 0.588 63.045 62.300 0.263 0.000 1.109 167 V CB -0.363 31.699 31.823 0.398 0.000 0.724 167 V HN 0.273 nan 8.190 nan 0.000 0.471 168 L N 2.111 123.409 121.223 0.125 0.000 2.551 168 L HA 0.560 4.904 4.340 0.007 0.000 0.248 168 L C -1.720 175.149 176.870 -0.000 0.000 1.509 168 L CA -1.370 53.459 54.840 -0.018 0.000 0.842 168 L CB 1.458 43.407 42.059 -0.185 0.000 1.087 168 L HN -0.004 nan 8.230 nan 0.000 0.512 169 P HA -0.021 nan 4.420 nan 0.000 0.222 169 P C -0.024 176.935 177.300 -0.569 0.000 1.153 169 P CA 0.939 63.826 63.100 -0.356 0.000 0.798 169 P CB 0.143 31.558 31.700 -0.474 0.000 0.796 170 F N 1.018 120.868 119.950 -0.167 0.000 2.564 170 F HA 0.363 4.895 4.527 0.008 0.000 0.368 170 F C -1.569 174.133 175.800 -0.163 0.000 1.127 170 F CA -2.580 55.305 58.000 -0.191 0.000 1.170 170 F CB 1.208 39.990 39.000 -0.363 0.000 1.397 170 F HN -0.160 nan 8.300 nan 0.000 0.493 171 P HA -0.168 nan 4.420 nan 0.000 0.225 171 P C 0.912 178.094 177.300 -0.196 0.000 1.148 171 P CA 1.541 64.449 63.100 -0.320 0.000 0.779 171 P CB 0.054 31.324 31.700 -0.717 0.000 0.780 172 H N -1.291 117.746 119.070 -0.055 0.000 2.546 172 H HA 0.059 4.619 4.556 0.007 0.000 0.277 172 H C 0.356 175.686 175.328 0.003 0.000 1.004 172 H CA 0.900 56.948 56.048 0.000 0.000 1.231 172 H CB -0.145 29.612 29.762 -0.007 0.000 1.382 172 H HN 0.084 nan 8.280 nan 0.000 0.580 173 D N 0.180 120.638 120.400 0.096 0.000 2.405 173 D HA 0.027 4.671 4.640 0.007 0.000 0.264 173 D C 1.203 177.527 176.300 0.040 0.000 1.240 173 D CA -0.319 53.732 54.000 0.084 0.000 0.893 173 D CB 0.059 40.930 40.800 0.118 0.000 1.198 173 D HN 0.261 nan 8.370 nan 0.000 0.514 174 M N -0.272 119.243 119.600 -0.141 0.000 2.279 174 M HA -0.005 4.479 4.480 0.007 0.000 0.264 174 M C 0.116 176.359 176.300 -0.095 0.000 1.062 174 M CA 1.401 56.522 55.300 -0.298 0.000 1.099 174 M CB -0.312 32.041 32.600 -0.412 0.000 1.394 174 M HN 0.020 nan 8.290 nan 0.000 0.426 175 F N -0.845 119.231 119.950 0.210 0.000 2.732 175 F HA 0.190 4.720 4.527 0.006 0.000 0.303 175 F C 1.810 177.734 175.800 0.207 0.000 1.110 175 F CA -0.766 57.361 58.000 0.211 0.000 1.355 175 F CB -1.182 37.908 39.000 0.150 0.000 1.081 175 F HN 0.128 nan 8.300 nan 0.000 0.565 176 Y N 0.526 120.971 120.300 0.242 0.000 2.151 176 Y HA -0.154 4.400 4.550 0.006 0.000 0.284 176 Y C 0.715 176.741 175.900 0.209 0.000 1.166 176 Y CA 1.138 59.362 58.100 0.206 0.000 1.163 176 Y CB 0.039 38.639 38.460 0.233 0.000 0.974 176 Y HN -0.236 nan 8.280 nan 0.000 0.511 177 V N 2.104 122.235 119.914 0.360 0.000 2.334 177 V HA 0.162 4.287 4.120 0.007 0.000 0.281 177 V C -1.573 174.702 176.094 0.301 0.000 1.016 177 V CA -1.489 60.971 62.300 0.267 0.000 0.832 177 V CB 1.297 33.300 31.823 0.300 0.000 0.999 177 V HN 0.041 nan 8.190 nan 0.000 0.439 178 P HA -0.202 nan 4.420 nan 0.000 0.216 178 P C 1.465 178.903 177.300 0.230 0.000 1.153 178 P CA 1.207 64.430 63.100 0.205 0.000 0.858 178 P CB 0.220 31.978 31.700 0.096 0.000 0.789 179 E N -1.032 119.290 120.200 0.203 0.000 2.409 179 E HA -0.186 4.168 4.350 0.007 0.000 0.198 179 E C 1.806 178.537 176.600 0.219 0.000 1.024 179 E CA 0.654 57.149 56.400 0.158 0.000 0.861 179 E CB -1.289 28.497 29.700 0.144 0.000 0.788 179 E HN 0.284 nan 8.360 nan 0.000 0.521 180 F N 2.933 123.030 119.950 0.245 0.000 2.202 180 F HA -0.142 4.389 4.527 0.005 0.000 0.301 180 F C 2.523 178.465 175.800 0.237 0.000 1.082 180 F CA 1.556 59.744 58.000 0.314 0.000 1.313 180 F CB -0.143 39.012 39.000 0.258 0.000 1.024 180 F HN -0.101 nan 8.300 nan 0.000 0.495 181 R N 1.215 121.816 120.500 0.168 0.000 2.119 181 R HA -0.279 4.065 4.340 0.007 0.000 0.246 181 R C 2.358 178.573 176.300 -0.141 0.000 1.146 181 R CA 2.326 58.480 56.100 0.090 0.000 0.962 181 R CB -0.430 30.020 30.300 0.250 0.000 0.863 181 R HN 0.517 nan 8.270 nan 0.000 0.442 182 K N -1.096 119.167 120.400 -0.227 0.000 2.147 182 K HA -0.182 4.143 4.320 0.007 0.000 0.205 182 K C 1.514 177.883 176.600 -0.385 0.000 1.049 182 K CA 1.688 57.780 56.287 -0.326 0.000 0.936 182 K CB -0.377 31.884 32.500 -0.398 0.000 0.722 182 K HN 0.228 nan 8.250 nan 0.000 0.446 183 Y N 1.788 121.974 120.300 -0.190 0.000 2.263 183 Y HA -0.079 4.474 4.550 0.005 0.000 0.292 183 Y C 2.058 177.809 175.900 -0.247 0.000 1.130 183 Y CA 1.148 59.167 58.100 -0.135 0.000 1.179 183 Y CB -0.780 37.580 38.460 -0.167 0.000 0.998 183 Y HN 0.267 nan 8.280 nan 0.000 0.532 184 D N 0.439 120.578 120.400 -0.435 0.000 2.149 184 D HA -0.188 4.456 4.640 0.007 0.000 0.198 184 D C 1.385 177.664 176.300 -0.035 0.000 0.990 184 D CA 1.470 55.338 54.000 -0.220 0.000 0.839 184 D CB -0.030 40.668 40.800 -0.169 0.000 0.948 184 D HN 0.428 nan 8.370 nan 0.000 0.460 185 E N -1.085 119.091 120.200 -0.040 0.000 2.502 185 E HA 0.057 4.411 4.350 0.007 0.000 0.194 185 E C 0.205 176.824 176.600 0.032 0.000 1.062 185 E CA -0.027 56.373 56.400 0.000 0.000 0.867 185 E CB 0.211 29.898 29.700 -0.022 0.000 0.888 185 E HN 0.403 nan 8.360 nan 0.000 0.510 186 M N 0.997 120.649 119.600 0.087 0.000 2.318 186 M HA 0.139 4.624 4.480 0.007 0.000 0.347 186 M C 0.274 176.694 176.300 0.200 0.000 1.175 186 M CA -0.488 54.894 55.300 0.136 0.000 1.075 186 M CB 1.627 34.348 32.600 0.201 0.000 1.614 186 M HN -0.089 nan 8.290 nan 0.000 0.456 187 S N 1.792 117.583 115.700 0.151 0.000 2.652 187 S HA 0.247 4.722 4.470 0.007 0.000 0.270 187 S C 0.823 175.614 174.600 0.317 0.000 1.243 187 S CA -0.647 57.658 58.200 0.174 0.000 0.999 187 S CB 0.636 63.892 63.200 0.095 0.000 0.973 187 S HN 0.615 nan 8.310 nan 0.000 0.544 188 Y N 1.848 122.273 120.300 0.208 0.000 2.114 188 Y HA -0.183 4.371 4.550 0.007 0.000 0.282 188 Y C 3.226 179.204 175.900 0.130 0.000 1.165 188 Y CA 1.374 59.617 58.100 0.238 0.000 1.148 188 Y CB -1.642 36.904 38.460 0.143 0.000 0.972 188 Y HN 0.918 nan 8.280 nan 0.000 0.504 189 S N -0.365 115.483 115.700 0.247 0.000 2.368 189 S HA -0.215 4.259 4.470 0.007 0.000 0.225 189 S C 1.765 176.409 174.600 0.074 0.000 1.030 189 S CA 1.472 59.749 58.200 0.130 0.000 0.999 189 S CB -0.621 62.634 63.200 0.092 0.000 0.844 189 S HN 0.567 nan 8.310 nan 0.000 0.459 190 E N 0.938 121.175 120.200 0.062 0.000 2.110 190 E HA -0.127 4.228 4.350 0.007 0.000 0.193 190 E C 2.323 178.886 176.600 -0.061 0.000 0.988 190 E CA 1.101 57.504 56.400 0.006 0.000 0.804 190 E CB -0.130 29.576 29.700 0.010 0.000 0.745 190 E HN 0.401 nan 8.360 nan 0.000 0.458 191 R N 1.120 121.546 120.500 -0.124 0.000 2.075 191 R HA -0.092 4.253 4.340 0.007 0.000 0.232 191 R C 2.045 178.260 176.300 -0.142 0.000 1.126 191 R CA 1.112 57.007 56.100 -0.341 0.000 0.963 191 R CB -0.432 29.295 30.300 -0.954 0.000 0.858 191 R HN 0.098 nan 8.270 nan 0.000 0.435 192 I N 1.433 122.018 120.570 0.024 0.000 2.163 192 I HA -0.265 3.910 4.170 0.007 0.000 0.243 192 I C 1.394 177.507 176.117 -0.006 0.000 1.085 192 I CA 1.596 62.920 61.300 0.039 0.000 1.347 192 I CB -1.224 36.800 38.000 0.040 0.000 1.044 192 I HN 0.205 nan 8.210 nan 0.000 0.408 193 D N 0.624 121.018 120.400 -0.010 0.000 2.182 193 D HA -0.196 4.449 4.640 0.007 0.000 0.201 193 D C 2.266 178.548 176.300 -0.031 0.000 0.986 193 D CA 0.988 54.979 54.000 -0.015 0.000 0.847 193 D CB -0.148 40.646 40.800 -0.010 0.000 0.942 193 D HN 0.505 nan 8.370 nan 0.000 0.467 194 Q N -0.428 119.339 119.800 -0.055 0.000 2.297 194 Q HA 0.011 4.355 4.340 0.007 0.000 0.204 194 Q C 1.903 177.870 176.000 -0.055 0.000 0.962 194 Q CA 0.638 56.403 55.803 -0.063 0.000 0.879 194 Q CB 0.262 28.942 28.738 -0.096 0.000 0.947 194 Q HN 0.497 nan 8.270 nan 0.000 0.462 195 I N -4.063 116.477 120.570 -0.050 0.000 4.147 195 I HA 0.235 4.409 4.170 0.007 0.000 0.329 195 I C 1.795 177.898 176.117 -0.022 0.000 1.424 195 I CA -0.376 60.901 61.300 -0.039 0.000 1.127 195 I CB 0.173 38.146 38.000 -0.045 0.000 1.128 195 I HN -0.123 nan 8.210 nan 0.000 0.417 196 R N 2.023 122.513 120.500 -0.018 0.000 2.103 196 R HA -0.190 4.155 4.340 0.007 0.000 0.242 196 R C 1.240 177.534 176.300 -0.010 0.000 1.142 196 R CA 2.552 58.645 56.100 -0.011 0.000 0.960 196 R CB -0.158 30.137 30.300 -0.007 0.000 0.858 196 R HN 0.386 nan 8.270 nan 0.000 0.439 197 D N 0.113 120.507 120.400 -0.010 0.000 2.348 197 D HA -0.089 4.555 4.640 0.007 0.000 0.216 197 D C 1.026 177.321 176.300 -0.008 0.000 0.970 197 D CA 0.742 54.737 54.000 -0.008 0.000 0.889 197 D CB 0.092 40.888 40.800 -0.008 0.000 0.912 197 D HN 0.279 nan 8.370 nan 0.000 0.524 198 E N -0.128 120.066 120.200 -0.009 0.000 2.474 198 E HA 0.152 4.506 4.350 0.007 0.000 0.195 198 E C 0.255 176.850 176.600 -0.008 0.000 1.039 198 E CA -0.047 56.349 56.400 -0.007 0.000 0.881 198 E CB 0.812 30.509 29.700 -0.006 0.000 0.970 198 E HN 0.304 nan 8.360 nan 0.000 0.486 199 L N 1.585 122.800 121.223 -0.012 0.000 2.313 199 L HA 0.241 4.586 4.340 0.007 0.000 0.283 199 L C 0.661 177.523 176.870 -0.014 0.000 1.013 199 L CA -0.731 54.098 54.840 -0.018 0.000 0.816 199 L CB 1.667 43.710 42.059 -0.027 0.000 1.236 199 L HN -0.101 nan 8.230 nan 0.000 0.419 200 S N 2.002 117.693 115.700 -0.015 0.000 2.589 200 S HA 0.096 4.570 4.470 0.007 0.000 0.265 200 S C 0.962 175.558 174.600 -0.006 0.000 1.342 200 S CA -0.604 57.590 58.200 -0.010 0.000 1.005 200 S CB 1.005 64.198 63.200 -0.011 0.000 0.909 200 S HN 0.596 nan 8.310 nan 0.000 0.555 201 L N 1.415 122.639 121.223 0.001 0.000 2.042 201 L HA -0.121 4.223 4.340 0.007 0.000 0.210 201 L C 1.995 178.876 176.870 0.018 0.000 1.076 201 L CA 1.992 56.841 54.840 0.014 0.000 0.749 201 L CB -1.277 40.792 42.059 0.016 0.000 0.893 201 L HN 0.731 nan 8.230 nan 0.000 0.432 202 N N -0.132 118.573 118.700 0.008 0.000 2.120 202 N HA -0.173 4.571 4.740 0.007 0.000 0.188 202 N C 1.770 177.279 175.510 -0.002 0.000 1.024 202 N CA 1.581 54.639 53.050 0.013 0.000 0.852 202 N CB -0.179 38.313 38.487 0.009 0.000 1.003 202 N HN 0.540 nan 8.380 nan 0.000 0.424 203 E N 0.414 120.599 120.200 -0.025 0.000 2.028 203 E HA -0.116 4.238 4.350 0.007 0.000 0.191 203 E C 2.084 178.633 176.600 -0.085 0.000 0.988 203 E CA 0.693 57.056 56.400 -0.061 0.000 0.799 203 E CB -0.011 29.655 29.700 -0.056 0.000 0.755 203 E HN 0.247 nan 8.360 nan 0.000 0.447 204 R N 0.498 120.963 120.500 -0.058 0.000 2.075 204 R HA -0.098 4.246 4.340 0.007 0.000 0.232 204 R C 2.392 178.643 176.300 -0.082 0.000 1.126 204 R CA 1.497 57.553 56.100 -0.074 0.000 0.963 204 R CB -0.007 30.278 30.300 -0.025 0.000 0.858 204 R HN 0.013 nan 8.270 nan 0.000 0.435 205 S N 0.232 115.929 115.700 -0.005 0.000 2.356 205 S HA -0.158 4.316 4.470 0.007 0.000 0.223 205 S C 1.976 176.499 174.600 -0.128 0.000 1.032 205 S CA 1.652 59.878 58.200 0.044 0.000 1.005 205 S CB -0.197 63.101 63.200 0.163 0.000 0.867 205 S HN 0.608 nan 8.310 nan 0.000 0.449 206 S N 1.865 117.529 115.700 -0.061 0.000 2.383 206 S HA -0.035 4.439 4.470 0.007 0.000 0.227 206 S C 1.856 176.366 174.600 -0.151 0.000 1.026 206 S CA 0.935 59.105 58.200 -0.049 0.000 0.981 206 S CB -0.640 62.554 63.200 -0.011 0.000 0.818 206 S HN 0.313 nan 8.310 nan 0.000 0.472 207 L N 2.024 123.103 121.223 -0.239 0.000 1.994 207 L HA -0.011 4.334 4.340 0.007 0.000 0.208 207 L C 2.447 179.033 176.870 -0.474 0.000 1.071 207 L CA 2.018 56.638 54.840 -0.367 0.000 0.745 207 L CB -1.003 40.806 42.059 -0.416 0.000 0.892 207 L HN 0.322 nan 8.230 nan 0.000 0.431 208 E N -0.385 119.517 120.200 -0.495 0.000 2.085 208 E HA -0.233 4.122 4.350 0.007 0.000 0.194 208 E C 2.158 178.370 176.600 -0.646 0.000 0.994 208 E CA 1.173 57.228 56.400 -0.576 0.000 0.801 208 E CB -0.357 29.058 29.700 -0.475 0.000 0.743 208 E HN 0.673 nan 8.360 nan 0.000 0.453 209 A N 0.875 123.250 122.820 -0.742 0.000 1.908 209 A HA -0.202 4.122 4.320 0.007 0.000 0.218 209 A C 1.973 179.476 177.584 -0.134 0.000 1.181 209 A CA 1.194 52.981 52.037 -0.416 0.000 0.627 209 A CB -0.681 18.212 19.000 -0.179 0.000 0.818 209 A HN 0.328 nan 8.150 nan 0.000 0.445 210 F N 1.295 121.101 119.950 -0.240 0.000 2.113 210 F HA -0.102 4.429 4.527 0.007 0.000 0.297 210 F C 2.075 177.683 175.800 -0.321 0.000 1.103 210 F CA 1.724 59.593 58.000 -0.218 0.000 1.248 210 F CB -0.211 38.710 39.000 -0.133 0.000 0.999 210 F HN 0.334 nan 8.300 nan 0.000 0.475 211 I N -1.496 118.819 120.570 -0.425 0.000 2.394 211 I HA -0.188 3.987 4.170 0.007 0.000 0.251 211 I C 1.849 177.756 176.117 -0.350 0.000 1.136 211 I CA 1.438 62.321 61.300 -0.696 0.000 1.425 211 I CB -0.802 36.325 38.000 -1.456 0.000 1.079 211 I HN 0.155 nan 8.210 nan 0.000 0.425 212 L N 0.389 121.468 121.223 -0.241 0.000 2.240 212 L HA -0.072 4.272 4.340 0.007 0.000 0.211 212 L C 2.569 179.365 176.870 -0.124 0.000 1.106 212 L CA 0.584 55.371 54.840 -0.088 0.000 0.793 212 L CB -0.431 41.618 42.059 -0.017 0.000 0.927 212 L HN 0.341 nan 8.230 nan 0.000 0.446 213 L N -0.156 120.931 121.223 -0.227 0.000 2.012 213 L HA -0.257 4.087 4.340 0.007 0.000 0.210 213 L C 2.518 179.283 176.870 -0.176 0.000 1.073 213 L CA 2.008 56.683 54.840 -0.274 0.000 0.748 213 L CB -0.648 40.994 42.059 -0.696 0.000 0.891 213 L HN 0.221 nan 8.230 nan 0.000 0.431 214 C N -0.578 118.506 119.300 -0.360 0.000 2.446 214 C HA -0.085 4.379 4.460 0.007 0.000 0.277 214 C C 3.147 177.900 174.990 -0.396 0.000 1.275 214 C CA 1.063 59.849 59.018 -0.386 0.000 1.727 214 C CB -1.275 26.155 27.740 -0.516 0.000 2.010 214 C HN 0.829 nan 8.230 nan 0.000 0.486 215 S N -0.095 115.210 115.700 -0.658 0.000 2.458 215 S HA 0.233 4.707 4.470 0.007 0.000 0.223 215 S C 1.741 176.106 174.600 -0.391 0.000 1.019 215 S CA 1.347 58.859 58.200 -1.146 0.000 0.937 215 S CB -0.518 61.895 63.200 -1.310 0.000 0.788 215 S HN 1.081 nan 8.310 nan 0.000 0.511 216 G N 0.678 109.380 108.800 -0.163 0.000 2.186 216 G HA2 -0.161 3.803 3.960 0.007 0.000 0.266 216 G HA3 -0.161 3.803 3.960 0.007 0.000 0.266 216 G C 0.547 175.366 174.900 -0.134 0.000 0.982 216 G CA 0.560 45.568 45.100 -0.154 0.000 0.670 216 G HN 1.096 nan 8.290 nan 0.000 0.533 217 G N -1.203 107.500 108.800 -0.161 0.000 3.194 217 G HA2 0.823 4.787 3.960 0.007 0.000 0.160 217 G HA3 0.823 4.787 3.960 0.007 0.000 0.160 217 G C 0.289 175.147 174.900 -0.070 0.000 1.267 217 G CA 0.961 45.984 45.100 -0.129 0.000 0.962 217 G HN 1.389 nan 8.290 nan 0.000 0.612 218 T N -2.186 112.324 114.554 -0.073 0.000 2.926 218 T HA 0.487 4.841 4.350 0.007 0.000 0.289 218 T C 1.297 175.997 174.700 -0.001 0.000 1.054 218 T CA -0.718 61.377 62.100 -0.010 0.000 1.015 218 T CB 1.499 70.362 68.868 -0.007 0.000 1.167 218 T HN 0.141 nan 8.240 nan 0.000 0.526 219 L N 0.049 121.324 121.223 0.087 0.000 2.131 219 L HA -0.035 4.310 4.340 0.007 0.000 0.210 219 L C 2.550 179.475 176.870 0.091 0.000 1.092 219 L CA 1.424 56.360 54.840 0.161 0.000 0.759 219 L CB -0.542 41.614 42.059 0.162 0.000 0.903 219 L HN 0.709 nan 8.230 nan 0.000 0.435 220 E N 0.158 120.382 120.200 0.040 0.000 2.158 220 E HA -0.131 4.223 4.350 0.007 0.000 0.191 220 E C 1.598 178.192 176.600 -0.010 0.000 0.982 220 E CA 0.929 57.342 56.400 0.023 0.000 0.823 220 E CB -0.150 29.559 29.700 0.016 0.000 0.766 220 E HN 0.531 nan 8.360 nan 0.000 0.468 221 N N -0.646 118.026 118.700 -0.046 0.000 2.236 221 N HA 0.031 4.775 4.740 0.007 0.000 0.196 221 N C -0.419 175.031 175.510 -0.101 0.000 1.114 221 N CA -0.018 52.997 53.050 -0.059 0.000 0.859 221 N CB 0.386 38.841 38.487 -0.054 0.000 0.982 221 N HN -0.204 nan 8.380 nan 0.000 0.493 222 S N 0.111 115.675 115.700 -0.226 0.000 2.480 222 S HA 0.263 4.738 4.470 0.007 0.000 0.286 222 S C -0.288 174.149 174.600 -0.271 0.000 1.180 222 S CA -0.805 57.161 58.200 -0.389 0.000 1.075 222 S CB 1.315 63.840 63.200 -1.126 0.000 0.996 222 S HN 0.316 nan 8.310 nan 0.000 0.487 223 S N 2.430 118.146 115.700 0.026 0.000 2.481 223 S HA 0.157 4.631 4.470 0.007 0.000 0.276 223 S C 0.864 175.684 174.600 0.368 0.000 1.247 223 S CA -0.641 57.640 58.200 0.136 0.000 1.053 223 S CB -0.240 62.992 63.200 0.053 0.000 0.925 223 S HN 0.622 nan 8.310 nan 0.000 0.491 224 F N 5.658 125.802 119.950 0.323 0.000 2.134 224 F HA 0.090 4.621 4.527 0.006 0.000 0.299 224 F C 2.045 178.066 175.800 0.368 0.000 1.097 224 F CA 2.072 60.345 58.000 0.454 0.000 1.264 224 F CB -0.989 38.146 39.000 0.224 0.000 1.001 224 F HN 0.691 nan 8.300 nan 0.000 0.479 225 G N -0.560 108.233 108.800 -0.012 0.000 2.442 225 G HA2 -0.328 3.636 3.960 0.007 0.000 0.219 225 G HA3 -0.328 3.636 3.960 0.007 0.000 0.219 225 G C 1.478 176.491 174.900 0.188 0.000 1.141 225 G CA 0.996 46.034 45.100 -0.103 0.000 0.763 225 G HN 0.432 nan 8.290 nan 0.000 0.554 226 E N -0.100 120.176 120.200 0.126 0.000 2.106 226 E HA -0.091 4.263 4.350 0.007 0.000 0.192 226 E C 1.941 178.635 176.600 0.156 0.000 0.984 226 E CA 0.633 57.038 56.400 0.007 0.000 0.806 226 E CB -0.453 28.915 29.700 -0.553 0.000 0.750 226 E HN 0.379 nan 8.360 nan 0.000 0.458 227 F N 0.024 120.140 119.950 0.276 0.000 2.134 227 F HA -0.145 4.386 4.527 0.006 0.000 0.299 227 F C 1.834 177.781 175.800 0.245 0.000 1.097 227 F CA 1.007 59.201 58.000 0.323 0.000 1.264 227 F CB -0.300 38.980 39.000 0.466 0.000 1.001 227 F HN 0.130 nan 8.300 nan 0.000 0.479 228 L N 0.315 121.573 121.223 0.058 0.000 2.079 228 L HA -0.268 4.077 4.340 0.007 0.000 0.210 228 L C 2.654 179.561 176.870 0.061 0.000 1.081 228 L CA 1.962 56.786 54.840 -0.026 0.000 0.752 228 L CB -1.330 40.647 42.059 -0.137 0.000 0.896 228 L HN 0.339 nan 8.230 nan 0.000 0.433 229 H N -2.065 117.031 119.070 0.043 0.000 2.321 229 H HA -0.239 4.321 4.556 0.007 0.000 0.300 229 H C 2.023 177.313 175.328 -0.064 0.000 1.087 229 H CA 2.398 58.418 56.048 -0.047 0.000 1.319 229 H CB -0.129 29.655 29.762 0.037 0.000 1.379 229 H HN 0.350 nan 8.280 nan 0.000 0.501 230 W N 0.911 122.141 121.300 -0.116 0.000 2.335 230 W HA -0.220 4.444 4.660 0.006 0.000 0.311 230 W C 2.830 179.132 176.519 -0.362 0.000 1.213 230 W CA 0.938 58.174 57.345 -0.181 0.000 1.274 230 W CB -1.388 28.092 29.460 0.033 0.000 1.148 230 W HN 0.404 nan 8.180 nan 0.000 0.498 231 W N 0.917 122.003 121.300 -0.357 0.000 2.335 231 W HA -0.255 4.408 4.660 0.005 0.000 0.311 231 W C 2.067 178.237 176.519 -0.582 0.000 1.213 231 W CA 2.838 59.942 57.345 -0.402 0.000 1.274 231 W CB -0.876 28.370 29.460 -0.357 0.000 1.148 231 W HN -0.090 nan 8.180 nan 0.000 0.498 232 A N 0.740 123.183 122.820 -0.630 0.000 1.877 232 A HA -0.252 4.072 4.320 0.007 0.000 0.216 232 A C 1.965 178.835 177.584 -1.190 0.000 1.186 232 A CA 2.172 53.383 52.037 -1.377 0.000 0.620 232 A CB -1.045 17.414 19.000 -0.902 0.000 0.822 232 A HN 0.261 nan 8.150 nan 0.000 0.443 233 M N 0.259 119.235 119.600 -1.039 0.000 2.149 233 M HA -0.092 4.392 4.480 0.007 0.000 0.261 233 M C 2.050 177.836 176.300 -0.856 0.000 1.064 233 M CA 1.643 56.202 55.300 -1.235 0.000 1.102 233 M CB -1.578 29.787 32.600 -2.057 0.000 1.369 233 M HN 0.374 nan 8.290 nan 0.000 0.408 234 S N -0.733 114.593 115.700 -0.623 0.000 2.561 234 S HA 0.224 4.699 4.470 0.007 0.000 0.225 234 S C 1.385 175.760 174.600 -0.375 0.000 0.977 234 S CA 0.777 58.809 58.200 -0.279 0.000 0.926 234 S CB 0.024 63.089 63.200 -0.225 0.000 0.769 234 S HN 0.753 nan 8.310 nan 0.000 0.533 235 G N 0.383 108.866 108.800 -0.527 0.000 2.143 235 G HA2 -0.241 3.723 3.960 0.007 0.000 0.175 235 G HA3 -0.241 3.723 3.960 0.007 0.000 0.175 235 G C 0.177 174.898 174.900 -0.299 0.000 1.004 235 G CA -0.346 44.552 45.100 -0.336 0.000 0.671 235 G HN 0.402 nan 8.290 nan 0.000 0.512 236 Y N -1.058 118.783 120.300 -0.766 0.000 3.929 236 Y HA -0.255 4.301 4.550 0.009 0.000 0.225 236 Y C 1.223 176.440 175.900 -1.138 0.000 1.200 236 Y CA 2.103 59.558 58.100 -1.076 0.000 1.791 236 Y CB -2.345 35.925 38.460 -0.317 0.000 1.561 236 Y HN 1.297 nan 8.280 nan 0.000 0.657 237 T N -5.534 108.318 114.554 -1.170 0.000 2.883 237 T HA 0.446 4.801 4.350 0.007 0.000 0.301 237 T C 0.214 174.520 174.700 -0.656 0.000 1.158 237 T CA -0.436 61.239 62.100 -0.708 0.000 1.007 237 T CB 1.451 70.164 68.868 -0.257 0.000 1.186 237 T HN 0.045 nan 8.240 nan 0.000 0.499 238 Y N 1.347 121.517 120.300 -0.217 0.000 2.181 238 Y HA -0.062 4.492 4.550 0.007 0.000 0.288 238 Y C 2.606 178.419 175.900 -0.145 0.000 1.146 238 Y CA 2.112 60.186 58.100 -0.043 0.000 1.164 238 Y CB -0.284 38.191 38.460 0.025 0.000 0.982 238 Y HN 0.756 nan 8.280 nan 0.000 0.515 239 Q N 0.289 119.908 119.800 -0.302 0.000 2.119 239 Q HA -0.027 4.318 4.340 0.007 0.000 0.201 239 Q C 2.458 178.229 176.000 -0.381 0.000 0.972 239 Q CA 1.870 57.438 55.803 -0.391 0.000 0.847 239 Q CB -1.007 27.602 28.738 -0.214 0.000 0.903 239 Q HN 0.553 nan 8.270 nan 0.000 0.433 240 G N -0.378 108.219 108.800 -0.338 0.000 2.446 240 G HA2 -0.299 3.665 3.960 0.007 0.000 0.217 240 G HA3 -0.299 3.665 3.960 0.007 0.000 0.217 240 G C 1.604 176.292 174.900 -0.354 0.000 1.168 240 G CA 1.066 45.960 45.100 -0.344 0.000 0.771 240 G HN 0.498 nan 8.290 nan 0.000 0.551 241 C N 0.541 119.659 119.300 -0.303 0.000 2.413 241 C HA -0.039 4.425 4.460 0.007 0.000 0.277 241 C C 3.012 177.886 174.990 -0.193 0.000 1.228 241 C CA 1.089 60.035 59.018 -0.121 0.000 1.731 241 C CB -0.695 27.153 27.740 0.180 0.000 2.042 241 C HN 0.382 nan 8.230 nan 0.000 0.468 242 M N 0.740 120.121 119.600 -0.364 0.000 2.117 242 M HA -0.105 4.379 4.480 0.007 0.000 0.262 242 M C 1.662 177.714 176.300 -0.413 0.000 1.065 242 M CA 1.670 56.733 55.300 -0.395 0.000 1.114 242 M CB -1.619 30.616 32.600 -0.609 0.000 1.361 242 M HN 0.360 nan 8.290 nan 0.000 0.408 243 D N -0.046 120.070 120.400 -0.474 0.000 2.104 243 D HA -0.128 4.516 4.640 0.007 0.000 0.194 243 D C 2.160 178.063 176.300 -0.660 0.000 0.994 243 D CA 1.310 54.965 54.000 -0.575 0.000 0.830 243 D CB -0.275 40.138 40.800 -0.645 0.000 0.959 243 D HN 0.360 nan 8.370 nan 0.000 0.452 244 C N -0.171 118.744 119.300 -0.640 0.000 2.485 244 C HA 0.134 4.599 4.460 0.007 0.000 0.278 244 C C 2.664 177.426 174.990 -0.379 0.000 1.356 244 C CA -0.018 58.640 59.018 -0.601 0.000 1.747 244 C CB -0.708 26.709 27.740 -0.538 0.000 2.001 244 C HN 0.332 nan 8.230 nan 0.000 0.501 245 L N -1.053 120.002 121.223 -0.280 0.000 2.354 245 L HA 0.207 4.552 4.340 0.007 0.000 0.212 245 L C 1.914 178.552 176.870 -0.386 0.000 1.091 245 L CA 1.042 55.773 54.840 -0.180 0.000 0.828 245 L CB -0.161 41.843 42.059 -0.092 0.000 0.973 245 L HN 0.289 nan 8.230 nan 0.000 0.461 246 M N -2.144 117.077 119.600 -0.632 0.000 2.783 246 M HA 0.137 4.621 4.480 0.007 0.000 0.443 246 M C 0.681 176.334 176.300 -1.079 0.000 1.265 246 M CA 0.064 54.541 55.300 -1.372 0.000 0.844 246 M CB 0.795 32.868 32.600 -0.878 0.000 1.596 246 M HN -0.098 nan 8.290 nan 0.000 0.546 247 S N -0.377 114.933 115.700 -0.651 0.000 2.460 247 S HA 0.230 4.705 4.470 0.007 0.000 0.226 247 S C -0.564 173.747 174.600 -0.482 0.000 1.057 247 S CA 0.550 58.369 58.200 -0.634 0.000 0.948 247 S CB 0.420 62.972 63.200 -1.080 0.000 0.822 247 S HN 0.398 nan 8.310 nan 0.000 0.512 248 Y N 2.396 122.821 120.300 0.209 0.000 2.361 248 Y HA 0.557 5.112 4.550 0.007 0.000 0.337 248 Y C -0.140 175.837 175.900 0.129 0.000 0.965 248 Y CA -1.676 56.513 58.100 0.148 0.000 1.091 248 Y CB 1.067 39.534 38.460 0.013 0.000 1.182 248 Y HN 0.039 nan 8.280 nan 0.000 0.450 249 K N 0.725 121.208 120.400 0.138 0.000 2.400 249 K HA 0.712 5.036 4.320 0.007 0.000 0.246 249 K C -1.483 175.009 176.600 -0.180 0.000 0.995 249 K CA -0.934 55.259 56.287 -0.157 0.000 0.840 249 K CB 1.632 33.995 32.500 -0.227 0.000 1.293 249 K HN 0.229 nan 8.250 nan 0.000 0.445 250 F N 2.272 122.179 119.950 -0.073 0.000 2.495 250 F HA 0.167 4.698 4.527 0.007 0.000 0.365 250 F C 1.594 177.337 175.800 -0.095 0.000 1.090 250 F CA -0.157 57.797 58.000 -0.076 0.000 1.235 250 F CB 0.887 39.842 39.000 -0.076 0.000 1.119 250 F HN 0.584 nan 8.300 nan 0.000 0.562 251 K N 1.132 121.609 120.400 0.129 0.000 2.044 251 K HA -0.183 4.142 4.320 0.007 0.000 0.210 251 K C 0.650 177.230 176.600 -0.033 0.000 1.049 251 K CA 1.807 58.104 56.287 0.017 0.000 0.927 251 K CB -0.013 32.498 32.500 0.017 0.000 0.713 251 K HN 0.579 nan 8.250 nan 0.000 0.443 252 D N -0.473 119.931 120.400 0.006 0.000 2.340 252 D HA 0.133 4.777 4.640 0.007 0.000 0.217 252 D C 0.405 176.672 176.300 -0.054 0.000 1.081 252 D CA 0.439 54.411 54.000 -0.048 0.000 0.842 252 D CB 0.659 41.431 40.800 -0.046 0.000 0.934 252 D HN 0.332 nan 8.370 nan 0.000 0.511 253 G N 1.278 110.076 108.800 -0.004 0.000 2.712 253 G HA2 -0.241 3.723 3.960 0.007 0.000 0.686 253 G HA3 -0.241 3.723 3.960 0.007 0.000 0.686 253 G C 0.576 175.517 174.900 0.069 0.000 1.321 253 G CA -0.634 44.472 45.100 0.010 0.000 0.813 253 G HN -0.044 nan 8.290 nan 0.000 0.599 254 Q N 0.014 119.920 119.800 0.177 0.000 2.181 254 Q HA -0.102 4.242 4.340 0.007 0.000 0.205 254 Q C 2.944 179.076 176.000 0.219 0.000 0.980 254 Q CA 1.966 57.944 55.803 0.291 0.000 0.862 254 Q CB -0.342 28.641 28.738 0.408 0.000 0.905 254 Q HN 0.629 nan 8.270 nan 0.000 0.429 255 S N 0.823 116.603 115.700 0.132 0.000 2.399 255 S HA -0.110 4.364 4.470 0.007 0.000 0.231 255 S C 1.977 176.586 174.600 0.015 0.000 1.022 255 S CA 0.873 59.121 58.200 0.080 0.000 0.983 255 S CB -0.134 63.112 63.200 0.076 0.000 0.803 255 S HN 0.506 nan 8.310 nan 0.000 0.480 256 A N 0.948 123.753 122.820 -0.024 0.000 1.933 256 A HA -0.089 4.236 4.320 0.007 0.000 0.218 256 A C 1.858 179.400 177.584 -0.070 0.000 1.175 256 A CA 1.330 53.323 52.037 -0.073 0.000 0.628 256 A CB -0.749 18.186 19.000 -0.108 0.000 0.814 256 A HN 0.495 nan 8.150 nan 0.000 0.444 257 F N 1.028 120.788 119.950 -0.316 0.000 2.084 257 F HA -0.016 4.515 4.527 0.007 0.000 0.296 257 F C 2.567 178.476 175.800 0.183 0.000 1.111 257 F CA 0.913 58.757 58.000 -0.260 0.000 1.224 257 F CB -0.865 37.803 39.000 -0.554 0.000 0.991 257 F HN 0.246 nan 8.300 nan 0.000 0.471 258 A N 0.843 123.795 122.820 0.221 0.000 1.948 258 A HA -0.217 4.107 4.320 0.007 0.000 0.220 258 A C 2.303 179.948 177.584 0.102 0.000 1.177 258 A CA 1.612 53.723 52.037 0.124 0.000 0.636 258 A CB -0.652 18.269 19.000 -0.132 0.000 0.815 258 A HN 0.312 nan 8.150 nan 0.000 0.449 259 R N -0.281 120.225 120.500 0.011 0.000 2.091 259 R HA -0.103 4.242 4.340 0.007 0.000 0.238 259 R C 2.149 178.432 176.300 -0.029 0.000 1.136 259 R CA 1.303 57.407 56.100 0.007 0.000 0.959 259 R CB -0.750 29.522 30.300 -0.046 0.000 0.856 259 R HN 0.512 nan 8.270 nan 0.000 0.437 260 R N -0.120 120.236 120.500 -0.239 0.000 2.091 260 R HA -0.091 4.253 4.340 0.007 0.000 0.238 260 R C 2.402 178.304 176.300 -0.664 0.000 1.136 260 R CA 1.255 56.953 56.100 -0.669 0.000 0.959 260 R CB -1.005 28.516 30.300 -1.299 0.000 0.856 260 R HN 0.276 nan 8.270 nan 0.000 0.437 261 F N -0.328 119.402 119.950 -0.367 0.000 2.102 261 F HA -0.204 4.327 4.527 0.007 0.000 0.298 261 F C 2.595 178.405 175.800 0.018 0.000 1.105 261 F CA 1.082 59.056 58.000 -0.043 0.000 1.239 261 F CB -0.591 38.425 39.000 0.026 0.000 0.991 261 F HN 0.157 nan 8.300 nan 0.000 0.474 262 W N 1.692 123.022 121.300 0.050 0.000 2.354 262 W HA -0.204 4.460 4.660 0.007 0.000 0.315 262 W C 2.063 178.557 176.519 -0.042 0.000 1.206 262 W CA 1.709 59.041 57.345 -0.021 0.000 1.290 262 W CB -0.200 29.211 29.460 -0.082 0.000 1.152 262 W HN 0.007 nan 8.180 nan 0.000 0.489 263 E N 0.394 120.609 120.200 0.026 0.000 2.118 263 E HA -0.262 4.092 4.350 0.007 0.000 0.195 263 E C 1.790 178.322 176.600 -0.113 0.000 0.992 263 E CA 1.728 58.084 56.400 -0.072 0.000 0.804 263 E CB -0.729 28.947 29.700 -0.041 0.000 0.741 263 E HN 0.559 nan 8.360 nan 0.000 0.458 264 E N 0.536 120.685 120.200 -0.085 0.000 2.031 264 E HA -0.147 4.208 4.350 0.007 0.000 0.193 264 E C 2.025 178.588 176.600 -0.061 0.000 0.994 264 E CA 1.081 57.463 56.400 -0.030 0.000 0.800 264 E CB -0.043 29.698 29.700 0.069 0.000 0.752 264 E HN 0.176 nan 8.360 nan 0.000 0.447 265 A N 1.238 123.999 122.820 -0.098 0.000 1.883 265 A HA -0.157 4.167 4.320 0.007 0.000 0.217 265 A C 2.422 179.872 177.584 -0.223 0.000 1.186 265 A CA 2.037 53.986 52.037 -0.146 0.000 0.624 265 A CB -0.939 17.945 19.000 -0.195 0.000 0.822 265 A HN 0.431 nan 8.150 nan 0.000 0.444 266 A N -0.627 121.968 122.820 -0.375 0.000 1.933 266 A HA 0.114 4.439 4.320 0.007 0.000 0.218 266 A C 2.336 179.839 177.584 -0.134 0.000 1.175 266 A CA 1.840 53.687 52.037 -0.317 0.000 0.628 266 A CB -1.285 17.460 19.000 -0.424 0.000 0.814 266 A HN 0.811 nan 8.150 nan 0.000 0.444 267 G N -0.645 108.091 108.800 -0.105 0.000 2.509 267 G HA2 -0.096 3.869 3.960 0.007 0.000 0.218 267 G HA3 -0.096 3.869 3.960 0.007 0.000 0.218 267 G C 1.562 176.442 174.900 -0.032 0.000 1.124 267 G CA 1.710 46.780 45.100 -0.051 0.000 0.776 267 G HN 0.687 nan 8.290 nan 0.000 0.547 268 T N -2.552 111.982 114.554 -0.034 0.000 2.995 268 T HA 0.266 4.620 4.350 0.007 0.000 0.269 268 T C 2.129 176.827 174.700 -0.004 0.000 1.091 268 T CA 1.103 63.196 62.100 -0.013 0.000 1.128 268 T CB -0.228 68.638 68.868 -0.002 0.000 0.891 268 T HN 1.267 nan 8.240 nan 0.000 0.492 269 G N 1.683 110.481 108.800 -0.004 0.000 2.162 269 G HA2 -0.306 3.659 3.960 0.007 0.000 0.260 269 G HA3 -0.306 3.659 3.960 0.007 0.000 0.260 269 G C 0.854 175.777 174.900 0.037 0.000 0.976 269 G CA 0.334 45.443 45.100 0.013 0.000 0.655 269 G HN 0.596 nan 8.290 nan 0.000 0.533 270 R N -1.080 119.448 120.500 0.046 0.000 2.472 270 R HA 0.401 4.745 4.340 0.007 0.000 0.279 270 R C 0.357 176.746 176.300 0.149 0.000 0.953 270 R CA -0.315 55.845 56.100 0.099 0.000 1.088 270 R CB 0.519 30.872 30.300 0.088 0.000 1.197 270 R HN 0.333 nan 8.270 nan 0.000 0.536 271 L N 0.778 122.054 121.223 0.087 0.000 2.272 271 L HA 0.526 4.870 4.340 0.007 0.000 0.289 271 L C -0.101 176.844 176.870 0.126 0.000 1.032 271 L CA -0.271 54.598 54.840 0.048 0.000 0.810 271 L CB 1.372 43.364 42.059 -0.112 0.000 1.205 271 L HN 0.020 nan 8.230 nan 0.000 0.422 272 G N 4.134 112.974 108.800 0.065 0.000 2.400 272 G HA2 0.584 4.548 3.960 0.007 0.000 0.333 272 G HA3 0.584 4.548 3.960 0.007 0.000 0.333 272 G C -1.807 173.032 174.900 -0.101 0.000 1.143 272 G CA -0.373 44.714 45.100 -0.023 0.000 0.914 272 G HN 0.750 nan 8.290 nan 0.000 0.480 273 Y N -1.309 118.936 120.300 -0.093 0.000 2.552 273 Y HA 0.698 5.252 4.550 0.007 0.000 0.337 273 Y C -1.289 174.550 175.900 -0.102 0.000 1.094 273 Y CA -1.679 56.355 58.100 -0.110 0.000 1.028 273 Y CB 1.629 40.215 38.460 0.210 0.000 1.321 273 Y HN 0.452 nan 8.280 nan 0.000 0.456 274 V N 3.860 123.703 119.914 -0.118 0.000 2.524 274 V HA 0.425 4.550 4.120 0.007 0.000 0.297 274 V C -0.900 175.051 176.094 -0.237 0.000 1.035 274 V CA -0.745 61.495 62.300 -0.099 0.000 0.867 274 V CB 0.919 32.631 31.823 -0.184 0.000 1.004 274 V HN 0.744 nan 8.190 nan 0.000 0.426 275 F N 1.540 121.519 119.950 0.047 0.000 2.411 275 F HA 0.682 5.214 4.527 0.007 0.000 0.324 275 F C 1.440 177.202 175.800 -0.064 0.000 1.086 275 F CA 0.550 58.518 58.000 -0.053 0.000 1.028 275 F CB 1.338 40.291 39.000 -0.079 0.000 1.284 275 F HN 0.742 nan 8.300 nan 0.000 0.501 276 G N 0.414 109.261 108.800 0.078 0.000 2.273 276 G HA2 -0.291 3.674 3.960 0.007 0.000 0.280 276 G HA3 -0.291 3.674 3.960 0.007 0.000 0.280 276 G C -0.388 174.502 174.900 -0.018 0.000 1.047 276 G CA 0.142 45.249 45.100 0.012 0.000 0.869 276 G HN 0.886 nan 8.290 nan 0.000 0.502 277 C N 1.541 120.786 119.300 -0.092 0.000 3.003 277 C HA 0.621 5.085 4.460 0.007 0.000 0.241 277 C C -2.140 172.776 174.990 -0.124 0.000 1.224 277 C CA -2.191 56.781 59.018 -0.077 0.000 1.560 277 C CB 0.153 27.826 27.740 -0.111 0.000 1.768 277 C HN 0.378 nan 8.230 nan 0.000 0.440 278 P HA 0.230 nan 4.420 nan 0.000 0.281 278 P C -0.287 177.022 177.300 0.014 0.000 1.252 278 P CA 0.162 63.219 63.100 -0.072 0.000 0.778 278 P CB 0.914 32.657 31.700 0.072 0.000 0.895 279 V N 5.142 125.055 119.914 -0.002 0.000 2.583 279 V HA 0.188 4.312 4.120 0.007 0.000 0.287 279 V C 1.861 177.973 176.094 0.030 0.000 1.051 279 V CA 0.111 62.419 62.300 0.012 0.000 1.010 279 V CB 0.868 32.679 31.823 -0.019 0.000 0.988 279 V HN 0.647 nan 8.190 nan 0.000 0.478 280 R N 2.534 123.044 120.500 0.016 0.000 2.287 280 R HA 0.271 4.615 4.340 0.007 0.000 0.197 280 R C 0.522 176.784 176.300 -0.064 0.000 0.900 280 R CA 0.494 56.595 56.100 0.002 0.000 1.052 280 R CB 0.563 30.875 30.300 0.020 0.000 1.117 280 R HN 0.679 nan 8.270 nan 0.000 0.568 281 S N -0.175 115.478 115.700 -0.077 0.000 2.556 281 S HA 0.608 5.082 4.470 0.007 0.000 0.271 281 S C -0.973 173.543 174.600 -0.141 0.000 1.135 281 S CA -0.776 57.335 58.200 -0.148 0.000 0.858 281 S CB 2.644 65.797 63.200 -0.079 0.000 1.114 281 S HN -0.039 nan 8.310 nan 0.000 0.468 282 V N 1.844 121.627 119.914 -0.218 0.000 2.482 282 V HA 0.597 4.721 4.120 0.007 0.000 0.295 282 V C -0.927 175.203 176.094 0.059 0.000 1.026 282 V CA -0.595 61.670 62.300 -0.058 0.000 0.856 282 V CB 1.457 33.279 31.823 -0.002 0.000 1.001 282 V HN 0.847 nan 8.190 nan 0.000 0.424 283 V N 4.221 124.180 119.914 0.075 0.000 2.409 283 V HA 0.376 4.500 4.120 0.007 0.000 0.291 283 V C 0.113 176.260 176.094 0.089 0.000 1.020 283 V CA -0.770 61.585 62.300 0.093 0.000 0.848 283 V CB 1.834 33.692 31.823 0.059 0.000 0.990 283 V HN 0.917 nan 8.190 nan 0.000 0.430 284 N N 4.186 122.942 118.700 0.093 0.000 2.420 284 N HA 0.292 5.037 4.740 0.007 0.000 0.262 284 N C -0.278 175.254 175.510 0.038 0.000 1.144 284 N CA -0.217 52.866 53.050 0.054 0.000 0.952 284 N CB 1.162 39.658 38.487 0.016 0.000 1.081 284 N HN 0.704 nan 8.380 nan 0.000 0.480 285 E N 1.181 121.402 120.200 0.035 0.000 2.390 285 E HA 0.331 4.686 4.350 0.007 0.000 0.249 285 E C -0.376 176.238 176.600 0.023 0.000 0.981 285 E CA -0.943 55.474 56.400 0.029 0.000 0.860 285 E CB 1.327 31.046 29.700 0.032 0.000 1.278 285 E HN 0.309 nan 8.360 nan 0.000 0.416 286 R N 1.550 122.062 120.500 0.021 0.000 2.351 286 R HA -0.009 4.335 4.340 0.007 0.000 0.318 286 R C -0.758 175.556 176.300 0.022 0.000 1.055 286 R CA 0.489 56.599 56.100 0.018 0.000 0.968 286 R CB -0.089 30.221 30.300 0.016 0.000 0.974 286 R HN 0.532 nan 8.270 nan 0.000 0.439 287 D N -0.388 120.026 120.400 0.022 0.000 2.946 287 D HA -0.237 4.407 4.640 0.007 0.000 0.202 287 D C -0.455 175.866 176.300 0.036 0.000 1.068 287 D CA 1.624 55.641 54.000 0.028 0.000 1.011 287 D CB -1.030 39.786 40.800 0.027 0.000 1.105 287 D HN 0.591 nan 8.370 nan 0.000 0.425 288 A N -0.668 122.174 122.820 0.038 0.000 2.599 288 A HA 0.863 5.187 4.320 0.007 0.000 0.290 288 A C -1.485 176.128 177.584 0.049 0.000 1.101 288 A CA -0.036 52.031 52.037 0.050 0.000 0.674 288 A CB 1.734 20.769 19.000 0.059 0.000 1.277 288 A HN 0.789 nan 8.150 nan 0.000 0.419 289 A N 0.231 123.087 122.820 0.060 0.000 2.386 289 A HA 0.826 5.150 4.320 0.007 0.000 0.311 289 A C -0.355 177.274 177.584 0.076 0.000 1.068 289 A CA -0.569 51.506 52.037 0.063 0.000 0.743 289 A CB 1.163 20.198 19.000 0.059 0.000 1.258 289 A HN 0.946 nan 8.150 nan 0.000 0.429 290 R N 1.869 122.412 120.500 0.071 0.000 2.295 290 R HA 0.609 4.953 4.340 0.007 0.000 0.324 290 R C -1.718 174.627 176.300 0.075 0.000 0.968 290 R CA -0.280 55.865 56.100 0.076 0.000 0.837 290 R CB 1.242 31.574 30.300 0.054 0.000 1.133 290 R HN 0.479 nan 8.270 nan 0.000 0.450 291 V N 3.982 123.962 119.914 0.111 0.000 2.417 291 V HA 0.364 4.489 4.120 0.007 0.000 0.291 291 V C -0.305 175.884 176.094 0.158 0.000 1.024 291 V CA -0.568 61.800 62.300 0.113 0.000 0.861 291 V CB 1.858 33.746 31.823 0.109 0.000 0.985 291 V HN 0.820 nan 8.190 nan 0.000 0.436 292 T N 4.282 118.888 114.554 0.088 0.000 2.792 292 T HA 0.685 5.039 4.350 0.007 0.000 0.280 292 T C 0.300 175.053 174.700 0.087 0.000 0.990 292 T CA -0.226 61.918 62.100 0.074 0.000 0.960 292 T CB 1.648 70.528 68.868 0.021 0.000 0.939 292 T HN 0.909 nan 8.240 nan 0.000 0.439 293 A N 2.809 125.707 122.820 0.131 0.000 2.346 293 A HA 0.352 4.676 4.320 0.007 0.000 0.252 293 A C 1.562 179.186 177.584 0.067 0.000 1.089 293 A CA -0.335 51.772 52.037 0.117 0.000 0.797 293 A CB 0.253 19.359 19.000 0.177 0.000 1.047 293 A HN 0.955 nan 8.150 nan 0.000 0.494 294 R N -0.072 120.468 120.500 0.067 0.000 2.105 294 R HA -0.158 4.186 4.340 0.007 0.000 0.239 294 R C 0.746 177.074 176.300 0.047 0.000 1.135 294 R CA 1.769 57.905 56.100 0.060 0.000 0.967 294 R CB -0.177 30.171 30.300 0.080 0.000 0.861 294 R HN 0.912 nan 8.270 nan 0.000 0.442 295 D N -1.365 119.064 120.400 0.049 0.000 2.328 295 D HA 0.041 4.685 4.640 0.007 0.000 0.226 295 D C 1.078 177.389 176.300 0.017 0.000 1.066 295 D CA 0.812 54.833 54.000 0.035 0.000 0.861 295 D CB 0.387 41.212 40.800 0.040 0.000 0.912 295 D HN 0.308 nan 8.370 nan 0.000 0.521 296 G N 0.342 109.150 108.800 0.013 0.000 2.213 296 G HA2 -0.311 3.654 3.960 0.007 0.000 0.236 296 G HA3 -0.311 3.654 3.960 0.007 0.000 0.236 296 G C 0.379 175.250 174.900 -0.049 0.000 0.991 296 G CA -0.170 44.923 45.100 -0.011 0.000 0.629 296 G HN 0.445 nan 8.290 nan 0.000 0.517 297 R N 1.282 121.746 120.500 -0.061 0.000 2.583 297 R HA 0.358 4.703 4.340 0.007 0.000 0.274 297 R C 0.022 176.131 176.300 -0.318 0.000 0.998 297 R CA 0.675 56.651 56.100 -0.207 0.000 1.081 297 R CB 0.275 30.472 30.300 -0.172 0.000 0.940 297 R HN 0.513 nan 8.270 nan 0.000 0.413 298 E N 2.331 122.237 120.200 -0.490 0.000 2.212 298 E HA 0.366 4.720 4.350 0.007 0.000 0.268 298 E C -1.175 175.044 176.600 -0.635 0.000 0.902 298 E CA -0.521 55.656 56.400 -0.371 0.000 0.779 298 E CB 1.445 31.049 29.700 -0.160 0.000 1.172 298 E HN 0.270 nan 8.360 nan 0.000 0.409 299 F N 0.781 120.751 119.950 0.032 0.000 2.565 299 F HA 0.483 5.015 4.527 0.007 0.000 0.313 299 F C -0.517 175.329 175.800 0.075 0.000 1.091 299 F CA -1.013 57.025 58.000 0.064 0.000 0.915 299 F CB 1.567 40.565 39.000 -0.004 0.000 1.208 299 F HN 0.098 nan 8.300 nan 0.000 0.453 300 V N 1.982 122.085 119.914 0.315 0.000 2.656 300 V HA 0.952 5.077 4.120 0.007 0.000 0.307 300 V C -0.572 175.685 176.094 0.272 0.000 1.051 300 V CA -0.729 61.704 62.300 0.221 0.000 0.893 300 V CB 1.571 33.482 31.823 0.146 0.000 0.999 300 V HN 1.012 nan 8.190 nan 0.000 0.426 301 A N 3.263 126.196 122.820 0.189 0.000 2.609 301 A HA 0.649 4.973 4.320 0.007 0.000 0.291 301 A C 0.387 178.043 177.584 0.119 0.000 1.096 301 A CA -0.663 51.488 52.037 0.191 0.000 0.684 301 A CB 1.571 20.673 19.000 0.170 0.000 1.282 301 A HN 0.713 nan 8.150 nan 0.000 0.412 302 K N -0.157 120.311 120.400 0.113 0.000 2.057 302 K HA -0.037 4.287 4.320 0.007 0.000 0.207 302 K C 0.287 176.914 176.600 0.046 0.000 1.049 302 K CA 1.068 57.401 56.287 0.077 0.000 0.931 302 K CB -0.050 32.502 32.500 0.085 0.000 0.714 302 K HN 0.474 nan 8.250 nan 0.000 0.440 303 R N 0.186 120.704 120.500 0.030 0.000 2.837 303 R HA 0.443 4.787 4.340 0.007 0.000 0.271 303 R C -1.058 175.233 176.300 -0.015 0.000 0.993 303 R CA -0.765 55.332 56.100 -0.005 0.000 0.931 303 R CB 2.098 32.372 30.300 -0.043 0.000 1.206 303 R HN -0.190 nan 8.270 nan 0.000 0.474 304 V N 1.609 121.503 119.914 -0.033 0.000 2.540 304 V HA 0.381 4.506 4.120 0.007 0.000 0.302 304 V C -0.299 175.742 176.094 -0.089 0.000 1.035 304 V CA -0.891 61.376 62.300 -0.055 0.000 0.873 304 V CB 2.283 34.083 31.823 -0.038 0.000 0.992 304 V HN 0.407 nan 8.190 nan 0.000 0.428 305 V N 3.905 123.766 119.914 -0.088 0.000 2.318 305 V HA 0.238 4.362 4.120 0.007 0.000 0.271 305 V C 0.131 176.178 176.094 -0.079 0.000 1.030 305 V CA -0.394 61.858 62.300 -0.080 0.000 0.844 305 V CB 1.215 33.006 31.823 -0.054 0.000 1.015 305 V HN 1.011 nan 8.190 nan 0.000 0.460 306 C N 5.395 124.623 119.300 -0.119 0.000 2.265 306 C HA 0.485 4.949 4.460 0.007 0.000 0.332 306 C C 1.674 176.733 174.990 0.115 0.000 1.248 306 C CA 0.251 59.242 59.018 -0.045 0.000 1.727 306 C CB 0.010 27.649 27.740 -0.169 0.000 2.348 306 C HN 1.011 nan 8.230 nan 0.000 0.519 307 T N 3.570 118.182 114.554 0.098 0.000 3.134 307 T HA 0.283 4.637 4.350 0.007 0.000 0.260 307 T C 0.504 175.281 174.700 0.129 0.000 1.027 307 T CA -0.173 61.984 62.100 0.096 0.000 0.913 307 T CB -0.380 68.492 68.868 0.007 0.000 1.046 307 T HN 0.651 nan 8.240 nan 0.000 0.553 308 I N 3.197 123.895 120.570 0.212 0.000 2.826 308 I HA 0.133 4.307 4.170 0.007 0.000 0.295 308 I C -2.039 174.253 176.117 0.292 0.000 1.213 308 I CA -1.735 59.712 61.300 0.245 0.000 1.436 308 I CB 0.337 38.516 38.000 0.298 0.000 1.348 308 I HN 0.097 nan 8.210 nan 0.000 0.570 309 P HA -0.034 nan 4.420 nan 0.000 0.269 309 P C 0.536 178.052 177.300 0.360 0.000 1.215 309 P CA -0.387 62.860 63.100 0.245 0.000 0.780 309 P CB 0.620 32.471 31.700 0.252 0.000 0.898 310 L N 2.877 124.365 121.223 0.441 0.000 2.021 310 L HA -0.249 4.095 4.340 0.007 0.000 0.215 310 L C 1.393 178.462 176.870 0.333 0.000 1.074 310 L CA 2.202 57.331 54.840 0.482 0.000 0.760 310 L CB -1.199 41.203 42.059 0.572 0.000 0.889 310 L HN 0.289 nan 8.230 nan 0.000 0.433 311 N N -1.351 117.539 118.700 0.317 0.000 2.571 311 N HA -0.034 4.711 4.740 0.007 0.000 0.189 311 N C 1.250 176.858 175.510 0.163 0.000 1.154 311 N CA 0.987 54.142 53.050 0.176 0.000 0.907 311 N CB 0.150 38.670 38.487 0.056 0.000 0.977 311 N HN 0.340 nan 8.380 nan 0.000 0.449 312 V N -0.418 119.626 119.914 0.217 0.000 3.635 312 V HA 0.151 4.275 4.120 0.007 0.000 0.266 312 V C 1.902 178.128 176.094 0.221 0.000 1.316 312 V CA 0.129 62.555 62.300 0.209 0.000 1.060 312 V CB 0.120 32.095 31.823 0.254 0.000 0.820 312 V HN 0.168 nan 8.190 nan 0.000 0.447 313 L N 1.364 122.736 121.223 0.249 0.000 2.191 313 L HA -0.143 4.201 4.340 0.007 0.000 0.212 313 L C 2.611 179.626 176.870 0.242 0.000 1.103 313 L CA 1.820 56.831 54.840 0.285 0.000 0.769 313 L CB -0.393 41.816 42.059 0.250 0.000 0.908 313 L HN 0.584 nan 8.230 nan 0.000 0.438 314 S N -1.751 114.047 115.700 0.163 0.000 2.507 314 S HA -0.129 4.345 4.470 0.007 0.000 0.235 314 S C 1.813 176.482 174.600 0.115 0.000 0.988 314 S CA 1.069 59.343 58.200 0.125 0.000 0.944 314 S CB -0.673 62.577 63.200 0.083 0.000 0.762 314 S HN 0.572 nan 8.310 nan 0.000 0.526 315 T N -0.494 114.135 114.554 0.124 0.000 3.100 315 T HA 0.345 4.699 4.350 0.007 0.000 0.253 315 T C 0.598 175.344 174.700 0.077 0.000 1.118 315 T CA -0.290 61.868 62.100 0.095 0.000 1.058 315 T CB -0.422 68.507 68.868 0.101 0.000 0.953 315 T HN 0.286 nan 8.240 nan 0.000 0.515 316 I N 1.645 122.269 120.570 0.089 0.000 2.460 316 I HA 0.415 4.590 4.170 0.007 0.000 0.298 316 I C -0.063 175.982 176.117 -0.120 0.000 0.989 316 I CA -1.024 60.245 61.300 -0.052 0.000 1.173 316 I CB 1.429 39.361 38.000 -0.113 0.000 1.338 316 I HN 0.209 nan 8.210 nan 0.000 0.456 317 Q N 4.324 123.985 119.800 -0.232 0.000 2.340 317 Q HA 0.491 4.835 4.340 0.007 0.000 0.259 317 Q C -1.486 174.340 176.000 -0.289 0.000 0.964 317 Q CA -0.228 55.489 55.803 -0.144 0.000 0.900 317 Q CB 1.396 30.103 28.738 -0.051 0.000 1.228 317 Q HN 0.338 nan 8.270 nan 0.000 0.449 318 F N 1.004 121.022 119.950 0.114 0.000 2.469 318 F HA 0.488 5.020 4.527 0.007 0.000 0.332 318 F C 0.238 176.131 175.800 0.154 0.000 1.103 318 F CA -0.651 57.445 58.000 0.160 0.000 0.979 318 F CB 2.071 41.181 39.000 0.183 0.000 1.137 318 F HN 0.371 nan 8.300 nan 0.000 0.463 319 S N 3.747 119.650 115.700 0.338 0.000 2.619 319 S HA 0.649 5.123 4.470 0.007 0.000 0.280 319 S C -3.241 171.495 174.600 0.227 0.000 1.150 319 S CA -1.551 56.792 58.200 0.239 0.000 0.978 319 S CB 2.361 65.643 63.200 0.137 0.000 1.041 319 S HN 0.256 nan 8.310 nan 0.000 0.485 320 P HA 0.345 nan 4.420 nan 0.000 0.274 320 P C 0.003 177.494 177.300 0.318 0.000 1.246 320 P CA -0.304 62.898 63.100 0.169 0.000 0.795 320 P CB 0.387 32.116 31.700 0.050 0.000 1.006 321 A N 2.210 125.161 122.820 0.218 0.000 2.565 321 A HA 0.134 4.458 4.320 0.007 0.000 0.237 321 A C 0.729 178.427 177.584 0.190 0.000 1.053 321 A CA -0.070 52.079 52.037 0.187 0.000 0.755 321 A CB -0.839 18.227 19.000 0.109 0.000 0.980 321 A HN 0.491 nan 8.150 nan 0.000 0.506 322 L N 2.120 123.369 121.223 0.043 0.000 2.473 322 L HA 0.207 4.551 4.340 0.007 0.000 0.268 322 L C 1.427 178.241 176.870 -0.093 0.000 1.215 322 L CA -0.129 54.610 54.840 -0.168 0.000 0.823 322 L CB 0.460 42.290 42.059 -0.381 0.000 1.099 322 L HN 0.968 nan 8.230 nan 0.000 0.483 323 S N -0.194 115.424 115.700 -0.137 0.000 2.596 323 S HA 0.042 4.516 4.470 0.007 0.000 0.260 323 S C 1.050 175.593 174.600 -0.095 0.000 1.336 323 S CA -0.251 57.896 58.200 -0.087 0.000 0.993 323 S CB 1.100 64.242 63.200 -0.096 0.000 0.923 323 S HN 0.643 nan 8.310 nan 0.000 0.567 324 T N 1.705 116.223 114.554 -0.060 0.000 2.720 324 T HA -0.097 4.257 4.350 0.007 0.000 0.268 324 T C 1.541 176.204 174.700 -0.062 0.000 1.037 324 T CA 2.070 64.141 62.100 -0.048 0.000 1.144 324 T CB -0.568 68.283 68.868 -0.028 0.000 0.864 324 T HN 0.748 nan 8.240 nan 0.000 0.444 325 E N 0.709 120.864 120.200 -0.075 0.000 2.072 325 E HA 0.015 4.369 4.350 0.007 0.000 0.191 325 E C 2.301 178.828 176.600 -0.121 0.000 0.985 325 E CA 0.719 57.072 56.400 -0.078 0.000 0.801 325 E CB -0.168 29.488 29.700 -0.074 0.000 0.750 325 E HN 0.310 nan 8.360 nan 0.000 0.452 326 R N 0.203 120.585 120.500 -0.196 0.000 2.073 326 R HA -0.072 4.273 4.340 0.007 0.000 0.234 326 R C 2.199 178.380 176.300 -0.198 0.000 1.134 326 R CA 1.276 57.201 56.100 -0.291 0.000 0.952 326 R CB -0.281 29.744 30.300 -0.459 0.000 0.850 326 R HN 0.175 nan 8.270 nan 0.000 0.433 327 I N 0.369 120.853 120.570 -0.143 0.000 2.226 327 I HA -0.302 3.872 4.170 0.007 0.000 0.245 327 I C 2.462 178.554 176.117 -0.041 0.000 1.100 327 I CA 1.609 62.862 61.300 -0.078 0.000 1.374 327 I CB -0.310 37.660 38.000 -0.051 0.000 1.057 327 I HN 0.304 nan 8.210 nan 0.000 0.413 328 S N 1.287 116.965 115.700 -0.037 0.000 2.368 328 S HA -0.139 4.335 4.470 0.007 0.000 0.225 328 S C 2.257 176.860 174.600 0.006 0.000 1.030 328 S CA 0.840 59.033 58.200 -0.012 0.000 0.999 328 S CB -0.660 62.535 63.200 -0.008 0.000 0.844 328 S HN 0.398 nan 8.310 nan 0.000 0.459 329 A N 1.980 124.801 122.820 0.001 0.000 1.902 329 A HA 0.062 4.386 4.320 0.007 0.000 0.217 329 A C 2.380 180.005 177.584 0.068 0.000 1.181 329 A CA 1.734 53.799 52.037 0.048 0.000 0.623 329 A CB -0.799 18.222 19.000 0.034 0.000 0.818 329 A HN 0.574 nan 8.150 nan 0.000 0.443 330 M N -1.129 118.487 119.600 0.027 0.000 2.175 330 M HA -0.198 4.286 4.480 0.007 0.000 0.264 330 M C 2.427 178.756 176.300 0.047 0.000 1.063 330 M CA 1.598 56.927 55.300 0.048 0.000 1.119 330 M CB -0.264 32.344 32.600 0.013 0.000 1.377 330 M HN 0.491 nan 8.290 nan 0.000 0.415 331 Q N -0.495 119.321 119.800 0.027 0.000 2.137 331 Q HA -0.015 4.329 4.340 0.007 0.000 0.198 331 Q C 2.249 178.259 176.000 0.017 0.000 0.960 331 Q CA 1.266 57.082 55.803 0.021 0.000 0.847 331 Q CB -0.104 28.641 28.738 0.013 0.000 0.915 331 Q HN 0.556 nan 8.270 nan 0.000 0.448 332 A N 0.877 123.710 122.820 0.023 0.000 1.855 332 A HA 0.191 4.515 4.320 0.007 0.000 0.215 332 A C 1.157 178.748 177.584 0.013 0.000 1.191 332 A CA 1.275 53.323 52.037 0.018 0.000 0.613 332 A CB -0.977 18.041 19.000 0.030 0.000 0.829 332 A HN 0.429 nan 8.150 nan 0.000 0.442 333 G N -0.997 107.829 108.800 0.043 0.000 2.731 333 G HA2 -0.094 3.870 3.960 0.007 0.000 0.686 333 G HA3 -0.094 3.870 3.960 0.007 0.000 0.686 333 G C -0.112 174.803 174.900 0.025 0.000 1.395 333 G CA -0.077 45.041 45.100 0.029 0.000 0.870 333 G HN 1.503 nan 8.290 nan 0.000 0.591 334 H N -0.452 118.651 119.070 0.054 0.000 2.597 334 H HA 0.491 5.052 4.556 0.007 0.000 0.370 334 H C 1.580 176.846 175.328 -0.103 0.000 1.281 334 H CA 0.137 56.132 56.048 -0.089 0.000 1.422 334 H CB 1.307 30.952 29.762 -0.196 0.000 1.524 334 H HN 1.261 nan 8.280 nan 0.000 0.607 335 V N -1.125 118.811 119.914 0.036 0.000 3.660 335 V HA 0.114 4.238 4.120 0.007 0.000 0.276 335 V C 0.960 177.019 176.094 -0.058 0.000 1.317 335 V CA 0.208 62.478 62.300 -0.049 0.000 1.097 335 V CB -0.062 31.730 31.823 -0.051 0.000 0.863 335 V HN 0.605 nan 8.190 nan 0.000 0.438 336 S N 2.295 118.042 115.700 0.079 0.000 2.429 336 S HA 0.394 4.869 4.470 0.007 0.000 0.292 336 S C 0.423 174.908 174.600 -0.191 0.000 1.183 336 S CA -0.280 57.787 58.200 -0.222 0.000 1.088 336 S CB 0.023 62.796 63.200 -0.712 0.000 1.018 336 S HN 0.448 nan 8.310 nan 0.000 0.511 337 M N 4.422 123.921 119.600 -0.169 0.000 2.869 337 M HA 0.191 4.675 4.480 0.007 0.000 0.338 337 M C 0.322 176.678 176.300 0.093 0.000 1.227 337 M CA -0.477 54.783 55.300 -0.065 0.000 0.946 337 M CB -0.845 31.634 32.600 -0.201 0.000 1.299 337 M HN 0.654 nan 8.290 nan 0.000 0.518 338 C N 2.489 121.752 119.300 -0.063 0.000 2.538 338 C HA 0.148 4.612 4.460 0.007 0.000 0.408 338 C C 0.869 176.007 174.990 0.248 0.000 1.421 338 C CA 0.917 59.980 59.018 0.075 0.000 1.642 338 C CB -0.412 27.302 27.740 -0.044 0.000 2.553 338 C HN 0.587 nan 8.230 nan 0.000 0.604 339 T N 6.742 121.421 114.554 0.207 0.000 2.744 339 T HA 0.298 4.652 4.350 0.007 0.000 0.291 339 T C -0.343 174.451 174.700 0.158 0.000 0.957 339 T CA -0.118 62.053 62.100 0.119 0.000 1.002 339 T CB 0.558 69.345 68.868 -0.136 0.000 0.919 339 T HN 0.766 nan 8.240 nan 0.000 0.468 340 K N 3.692 124.207 120.400 0.192 0.000 2.425 340 K HA 0.581 4.905 4.320 0.007 0.000 0.259 340 K C -1.460 175.119 176.600 -0.035 0.000 0.978 340 K CA -0.569 55.761 56.287 0.073 0.000 0.883 340 K CB 0.873 33.524 32.500 0.252 0.000 1.110 340 K HN 0.337 nan 8.250 nan 0.000 0.436 341 V N 5.085 124.893 119.914 -0.178 0.000 2.444 341 V HA 0.278 4.402 4.120 0.007 0.000 0.294 341 V C -0.478 175.543 176.094 -0.122 0.000 1.022 341 V CA -0.916 61.340 62.300 -0.073 0.000 0.850 341 V CB 1.360 33.121 31.823 -0.102 0.000 0.992 341 V HN 0.771 nan 8.190 nan 0.000 0.426 342 H N 3.453 122.671 119.070 0.247 0.000 2.527 342 H HA 0.688 5.249 4.556 0.007 0.000 0.321 342 H C 0.055 175.543 175.328 0.267 0.000 1.087 342 H CA -0.133 56.113 56.048 0.330 0.000 1.337 342 H CB 1.928 31.978 29.762 0.480 0.000 1.440 342 H HN 0.750 nan 8.280 nan 0.000 0.490 343 A N 3.352 126.387 122.820 0.358 0.000 2.335 343 A HA 0.242 4.566 4.320 0.007 0.000 0.304 343 A C -0.014 177.706 177.584 0.226 0.000 1.118 343 A CA -0.769 51.406 52.037 0.229 0.000 0.757 343 A CB 1.098 20.154 19.000 0.092 0.000 1.188 343 A HN 0.787 nan 8.150 nan 0.000 0.460 344 E N 2.138 122.458 120.200 0.200 0.000 2.130 344 E HA 0.456 4.810 4.350 0.007 0.000 0.284 344 E C -0.459 176.177 176.600 0.061 0.000 1.018 344 E CA -0.371 56.103 56.400 0.123 0.000 0.817 344 E CB 0.817 30.590 29.700 0.122 0.000 1.078 344 E HN 0.675 nan 8.360 nan 0.000 0.396 345 V N 1.823 121.721 119.914 -0.028 0.000 2.919 345 V HA 0.379 4.504 4.120 0.007 0.000 0.316 345 V C 0.193 176.287 176.094 0.000 0.000 1.077 345 V CA -0.688 61.581 62.300 -0.051 0.000 0.977 345 V CB 1.882 33.460 31.823 -0.408 0.000 1.039 345 V HN 0.721 nan 8.190 nan 0.000 0.441 346 D N 0.738 121.183 120.400 0.074 0.000 2.328 346 D HA 0.022 4.666 4.640 0.007 0.000 0.226 346 D C 0.372 176.707 176.300 0.059 0.000 1.066 346 D CA 0.150 54.189 54.000 0.066 0.000 0.861 346 D CB -0.381 40.469 40.800 0.083 0.000 0.912 346 D HN 0.534 nan 8.370 nan 0.000 0.521 347 N N 1.478 120.209 118.700 0.052 0.000 2.500 347 N HA 0.071 4.816 4.740 0.007 0.000 0.236 347 N C 0.552 176.069 175.510 0.011 0.000 1.022 347 N CA -0.171 52.905 53.050 0.043 0.000 0.935 347 N CB 0.870 39.399 38.487 0.070 0.000 1.147 347 N HN 0.017 nan 8.380 nan 0.000 0.512 348 K N 1.490 121.904 120.400 0.025 0.000 2.147 348 K HA -0.081 4.243 4.320 0.007 0.000 0.205 348 K C 0.288 176.913 176.600 0.041 0.000 1.049 348 K CA 1.051 57.355 56.287 0.028 0.000 0.936 348 K CB 0.339 32.858 32.500 0.032 0.000 0.722 348 K HN 0.480 nan 8.250 nan 0.000 0.446 349 D N 0.539 120.964 120.400 0.041 0.000 2.348 349 D HA -0.057 4.588 4.640 0.007 0.000 0.216 349 D C 1.321 177.662 176.300 0.069 0.000 0.970 349 D CA 0.852 54.883 54.000 0.052 0.000 0.889 349 D CB 0.078 40.901 40.800 0.038 0.000 0.912 349 D HN 0.236 nan 8.370 nan 0.000 0.524 350 M N 0.004 119.634 119.600 0.050 0.000 2.618 350 M HA 0.033 4.517 4.480 0.007 0.000 0.240 350 M C 1.764 178.175 176.300 0.185 0.000 1.123 350 M CA 0.007 55.358 55.300 0.085 0.000 1.060 350 M CB 0.277 32.802 32.600 -0.124 0.000 1.535 350 M HN -0.196 nan 8.290 nan 0.000 0.507 351 R N 1.493 122.085 120.500 0.153 0.000 2.117 351 R HA -0.122 4.222 4.340 0.007 0.000 0.243 351 R C 1.625 178.102 176.300 0.295 0.000 1.143 351 R CA 2.148 58.358 56.100 0.184 0.000 0.968 351 R CB -0.432 29.956 30.300 0.146 0.000 0.863 351 R HN 0.357 nan 8.270 nan 0.000 0.444 352 S N -1.949 113.953 115.700 0.336 0.000 2.583 352 S HA 0.129 4.604 4.470 0.007 0.000 0.239 352 S C -0.251 174.639 174.600 0.483 0.000 0.966 352 S CA -0.897 57.585 58.200 0.470 0.000 0.973 352 S CB -0.423 63.008 63.200 0.385 0.000 0.794 352 S HN 0.416 nan 8.310 nan 0.000 0.463 353 W N 3.164 124.611 121.300 0.246 0.000 2.438 353 W HA 0.603 5.268 4.660 0.008 0.000 0.324 353 W C -0.345 176.392 176.519 0.362 0.000 1.119 353 W CA -0.252 57.240 57.345 0.245 0.000 1.221 353 W CB 1.416 30.964 29.460 0.147 0.000 1.253 353 W HN 0.186 nan 8.180 nan 0.000 0.555 354 T N 2.649 116.988 114.554 -0.358 0.000 2.906 354 T HA 0.865 5.220 4.350 0.007 0.000 0.295 354 T C -0.520 173.417 174.700 -1.273 0.000 1.075 354 T CA -0.724 61.019 62.100 -0.594 0.000 1.005 354 T CB 1.589 70.484 68.868 0.044 0.000 1.136 354 T HN 0.923 nan 8.240 nan 0.000 0.498 355 G N 0.562 108.731 108.800 -1.052 0.000 2.706 355 G HA2 0.668 4.632 3.960 0.007 0.000 0.297 355 G HA3 0.668 4.632 3.960 0.007 0.000 0.297 355 G C -1.648 173.143 174.900 -0.183 0.000 1.403 355 G CA -0.871 43.851 45.100 -0.629 0.000 0.954 355 G HN 0.906 nan 8.290 nan 0.000 0.500 356 I N 1.179 121.719 120.570 -0.049 0.000 2.447 356 I HA 0.576 4.750 4.170 0.007 0.000 0.287 356 I C -0.028 176.113 176.117 0.041 0.000 1.023 356 I CA -0.922 60.414 61.300 0.060 0.000 1.083 356 I CB 2.228 40.348 38.000 0.201 0.000 1.245 356 I HN 0.620 nan 8.210 nan 0.000 0.434 357 A N 6.775 129.628 122.820 0.056 0.000 2.310 357 A HA 0.725 5.049 4.320 0.007 0.000 0.304 357 A C -1.596 175.888 177.584 -0.166 0.000 1.231 357 A CA -0.373 51.618 52.037 -0.077 0.000 0.799 357 A CB 0.653 19.547 19.000 -0.176 0.000 1.162 357 A HN 0.651 nan 8.150 nan 0.000 0.486 358 Y N 4.572 124.743 120.300 -0.215 0.000 2.480 358 Y HA 0.572 5.126 4.550 0.007 0.000 0.329 358 Y C -2.582 173.358 175.900 0.067 0.000 1.127 358 Y CA -1.420 56.613 58.100 -0.111 0.000 1.037 358 Y CB 2.858 41.311 38.460 -0.012 0.000 1.320 358 Y HN 0.442 nan 8.280 nan 0.000 0.446 359 P HA 0.098 nan 4.420 nan 0.000 0.274 359 P C 0.589 177.675 177.300 -0.357 0.000 1.352 359 P CA 0.139 62.687 63.100 -0.920 0.000 0.947 359 P CB -0.335 30.725 31.700 -1.066 0.000 1.437 360 F N -1.246 118.600 119.950 -0.174 0.000 2.661 360 F HA 0.267 4.798 4.527 0.007 0.000 0.298 360 F C 0.327 176.097 175.800 -0.050 0.000 1.137 360 F CA -0.433 57.509 58.000 -0.098 0.000 1.454 360 F CB -0.954 38.004 39.000 -0.072 0.000 1.103 360 F HN -0.221 nan 8.300 nan 0.000 0.577 361 N N 0.775 119.107 118.700 -0.612 0.000 2.370 361 N HA 0.255 4.999 4.740 0.007 0.000 0.303 361 N C 0.223 175.627 175.510 -0.178 0.000 1.103 361 N CA -0.686 52.128 53.050 -0.394 0.000 0.848 361 N CB 1.583 39.717 38.487 -0.588 0.000 1.235 361 N HN 0.016 nan 8.380 nan 0.000 0.496 362 K N 0.933 121.274 120.400 -0.099 0.000 2.486 362 K HA 0.205 4.529 4.320 0.007 0.000 0.194 362 K C -0.269 176.299 176.600 -0.054 0.000 1.033 362 K CA 0.654 56.896 56.287 -0.074 0.000 1.004 362 K CB 0.107 32.553 32.500 -0.091 0.000 0.798 362 K HN 0.370 nan 8.250 nan 0.000 0.495 363 L N 0.462 121.667 121.223 -0.030 0.000 2.349 363 L HA 0.215 4.559 4.340 0.007 0.000 0.278 363 L C 0.699 177.619 176.870 0.083 0.000 0.996 363 L CA -0.848 54.021 54.840 0.047 0.000 0.825 363 L CB 1.658 43.747 42.059 0.050 0.000 1.243 363 L HN 0.154 nan 8.230 nan 0.000 0.412 364 C N 1.384 120.790 119.300 0.176 0.000 3.019 364 C HA 0.295 4.759 4.460 0.007 0.000 0.295 364 C C 0.150 175.317 174.990 0.295 0.000 1.256 364 C CA -0.404 58.731 59.018 0.196 0.000 1.706 364 C CB -0.472 27.419 27.740 0.253 0.000 2.153 364 C HN 0.679 nan 8.230 nan 0.000 0.618 365 Y N 1.359 121.808 120.300 0.249 0.000 2.421 365 Y HA 0.693 5.247 4.550 0.007 0.000 0.339 365 Y C -0.452 175.721 175.900 0.455 0.000 0.996 365 Y CA -0.164 58.117 58.100 0.301 0.000 1.046 365 Y CB 1.482 40.079 38.460 0.229 0.000 1.226 365 Y HN 0.483 nan 8.280 nan 0.000 0.445 366 A N 6.265 129.267 122.820 0.304 0.000 2.572 366 A HA 0.841 5.165 4.320 0.007 0.000 0.295 366 A C -1.739 176.020 177.584 0.293 0.000 1.072 366 A CA -0.608 51.700 52.037 0.451 0.000 0.691 366 A CB 1.255 20.574 19.000 0.532 0.000 1.291 366 A HN 0.924 nan 8.150 nan 0.000 0.404 367 I N -1.002 119.824 120.570 0.426 0.000 2.865 367 I HA 0.842 5.017 4.170 0.007 0.000 0.302 367 I C 0.281 176.611 176.117 0.355 0.000 1.140 367 I CA -1.056 60.456 61.300 0.353 0.000 1.021 367 I CB 2.243 40.408 38.000 0.275 0.000 1.233 367 I HN 0.791 nan 8.210 nan 0.000 0.427 368 G N 1.920 110.965 108.800 0.409 0.000 2.343 368 G HA2 0.196 4.160 3.960 0.007 0.000 0.254 368 G HA3 0.196 4.160 3.960 0.007 0.000 0.254 368 G C -0.270 174.687 174.900 0.094 0.000 1.277 368 G CA 0.136 45.387 45.100 0.250 0.000 0.909 368 G HN 0.931 nan 8.290 nan 0.000 0.502 369 D N 0.631 121.034 120.400 0.004 0.000 2.498 369 D HA 0.330 4.974 4.640 0.007 0.000 0.223 369 D C 1.022 177.432 176.300 0.183 0.000 1.125 369 D CA 0.928 54.943 54.000 0.024 0.000 0.835 369 D CB 0.654 41.421 40.800 -0.055 0.000 1.086 369 D HN 0.785 nan 8.370 nan 0.000 0.510 370 G N -1.496 107.423 108.800 0.197 0.000 2.320 370 G HA2 0.401 4.365 3.960 0.007 0.000 0.296 370 G HA3 0.401 4.365 3.960 0.007 0.000 0.296 370 G C -1.357 173.618 174.900 0.125 0.000 1.306 370 G CA -0.618 44.636 45.100 0.256 0.000 0.836 370 G HN -0.093 nan 8.290 nan 0.000 0.517 371 T N 0.992 115.603 114.554 0.094 0.000 2.848 371 T HA 0.658 5.012 4.350 0.007 0.000 0.285 371 T C 0.527 175.183 174.700 -0.072 0.000 0.995 371 T CA 0.063 62.159 62.100 -0.006 0.000 0.970 371 T CB 1.366 70.259 68.868 0.042 0.000 0.976 371 T HN 1.058 nan 8.240 nan 0.000 0.441 372 T N 1.201 115.624 114.554 -0.217 0.000 2.788 372 T HA 0.299 4.653 4.350 0.007 0.000 0.287 372 T C -1.742 172.947 174.700 -0.019 0.000 1.007 372 T CA -1.581 60.397 62.100 -0.203 0.000 1.005 372 T CB 0.430 69.142 68.868 -0.260 0.000 1.012 372 T HN 0.136 nan 8.240 nan 0.000 0.530 373 P HA 0.052 nan 4.420 nan 0.000 0.219 373 P C 1.300 178.610 177.300 0.018 0.000 1.146 373 P CA 0.995 64.116 63.100 0.035 0.000 0.808 373 P CB -0.280 31.446 31.700 0.044 0.000 0.779 374 A N -0.875 121.949 122.820 0.007 0.000 2.239 374 A HA 0.344 4.668 4.320 0.007 0.000 0.209 374 A C 1.691 179.276 177.584 0.003 0.000 1.171 374 A CA 0.916 52.957 52.037 0.006 0.000 0.768 374 A CB -1.418 17.585 19.000 0.005 0.000 0.790 374 A HN 0.261 nan 8.150 nan 0.000 0.478 375 G N -0.857 107.942 108.800 -0.001 0.000 2.143 375 G HA2 -0.232 3.732 3.960 0.007 0.000 0.249 375 G HA3 -0.232 3.732 3.960 0.007 0.000 0.249 375 G C -0.114 174.785 174.900 -0.002 0.000 0.981 375 G CA 0.115 45.218 45.100 0.005 0.000 0.665 375 G HN 0.521 nan 8.290 nan 0.000 0.528 376 N N 0.592 119.280 118.700 -0.020 0.000 2.508 376 N HA 0.441 5.185 4.740 0.007 0.000 0.285 376 N C 0.176 175.661 175.510 -0.042 0.000 1.144 376 N CA 0.095 53.132 53.050 -0.022 0.000 0.978 376 N CB 0.925 39.401 38.487 -0.017 0.000 1.180 376 N HN 0.109 nan 8.380 nan 0.000 0.484 377 T N 0.770 115.306 114.554 -0.031 0.000 2.851 377 T HA 0.004 4.358 4.350 0.007 0.000 0.298 377 T C 0.208 174.899 174.700 -0.015 0.000 0.977 377 T CA -0.049 62.036 62.100 -0.025 0.000 1.126 377 T CB 0.084 68.930 68.868 -0.037 0.000 0.916 377 T HN 0.332 nan 8.240 nan 0.000 0.529 378 H N 4.478 123.479 119.070 -0.115 0.000 2.594 378 H HA 0.411 4.971 4.556 0.007 0.000 0.304 378 H C -0.874 174.484 175.328 0.050 0.000 1.068 378 H CA -0.830 55.173 56.048 -0.075 0.000 1.308 378 H CB 0.377 30.002 29.762 -0.228 0.000 1.409 378 H HN 0.417 nan 8.280 nan 0.000 0.460 379 L N 6.061 127.234 121.223 -0.085 0.000 2.309 379 L HA 0.307 4.652 4.340 0.007 0.000 0.282 379 L C -0.162 176.641 176.870 -0.111 0.000 1.036 379 L CA -0.949 53.820 54.840 -0.118 0.000 0.806 379 L CB 1.901 43.895 42.059 -0.109 0.000 1.220 379 L HN 0.364 nan 8.230 nan 0.000 0.429 380 V N 3.238 123.095 119.914 -0.095 0.000 2.417 380 V HA 0.481 4.606 4.120 0.007 0.000 0.291 380 V C -0.583 175.391 176.094 -0.200 0.000 1.024 380 V CA -0.259 61.978 62.300 -0.105 0.000 0.861 380 V CB 1.332 33.177 31.823 0.037 0.000 0.985 380 V HN 0.921 nan 8.190 nan 0.000 0.436 381 C N 6.883 125.958 119.300 -0.375 0.000 2.455 381 C HA 0.730 5.194 4.460 0.007 0.000 0.320 381 C C -0.609 174.157 174.990 -0.375 0.000 1.226 381 C CA -0.953 57.955 59.018 -0.184 0.000 1.569 381 C CB 0.732 28.471 27.740 -0.002 0.000 2.200 381 C HN 0.778 nan 8.230 nan 0.000 0.491 382 F N 1.129 121.213 119.950 0.225 0.000 2.540 382 F HA 0.715 5.247 4.527 0.008 0.000 0.317 382 F C 0.647 176.542 175.800 0.159 0.000 1.104 382 F CA -0.274 57.851 58.000 0.209 0.000 0.913 382 F CB 1.817 40.965 39.000 0.247 0.000 1.170 382 F HN 0.786 nan 8.300 nan 0.000 0.450 383 G N 1.410 110.375 108.800 0.276 0.000 2.574 383 G HA2 0.613 4.578 3.960 0.007 0.000 0.299 383 G HA3 0.613 4.578 3.960 0.007 0.000 0.299 383 G C -1.650 173.355 174.900 0.176 0.000 1.298 383 G CA -0.889 44.306 45.100 0.159 0.000 0.952 383 G HN 0.716 nan 8.290 nan 0.000 0.477 384 N N -1.784 117.014 118.700 0.164 0.000 2.966 384 N HA 0.412 5.156 4.740 0.007 0.000 0.314 384 N C 0.806 176.456 175.510 0.234 0.000 1.397 384 N CA -0.466 52.687 53.050 0.172 0.000 0.776 384 N CB 1.135 39.687 38.487 0.109 0.000 1.576 384 N HN 0.166 nan 8.380 nan 0.000 0.592 385 S N -1.101 114.671 115.700 0.121 0.000 2.453 385 S HA -0.009 4.465 4.470 0.007 0.000 0.231 385 S C 1.734 176.367 174.600 0.055 0.000 1.005 385 S CA 0.733 58.954 58.200 0.036 0.000 0.949 385 S CB -0.718 62.432 63.200 -0.083 0.000 0.774 385 S HN 0.677 nan 8.310 nan 0.000 0.510 386 A N 1.449 124.311 122.820 0.070 0.000 1.972 386 A HA -0.011 4.314 4.320 0.007 0.000 0.219 386 A C 1.153 178.766 177.584 0.048 0.000 1.169 386 A CA 1.170 53.244 52.037 0.062 0.000 0.635 386 A CB -0.127 18.935 19.000 0.103 0.000 0.810 386 A HN 0.405 nan 8.150 nan 0.000 0.446 387 N N -0.529 118.213 118.700 0.069 0.000 2.685 387 N HA 0.115 4.859 4.740 0.007 0.000 0.252 387 N C -1.608 173.941 175.510 0.065 0.000 1.261 387 N CA -0.371 52.704 53.050 0.041 0.000 0.768 387 N CB 0.246 38.722 38.487 -0.017 0.000 1.304 387 N HN 0.450 nan 8.380 nan 0.000 0.536 388 H N 2.831 121.889 119.070 -0.019 0.000 2.467 388 H HA 0.499 5.059 4.556 0.007 0.000 0.331 388 H C -0.696 174.609 175.328 -0.038 0.000 1.120 388 H CA -0.383 55.652 56.048 -0.022 0.000 1.270 388 H CB 1.795 31.544 29.762 -0.022 0.000 1.466 388 H HN 0.455 nan 8.280 nan 0.000 0.504 389 I N 3.716 123.963 120.570 -0.538 0.000 2.545 389 I HA 0.117 4.291 4.170 0.007 0.000 0.292 389 I C -0.909 174.915 176.117 -0.487 0.000 1.040 389 I CA -0.778 60.301 61.300 -0.368 0.000 1.068 389 I CB 1.876 39.716 38.000 -0.266 0.000 1.251 389 I HN 0.515 nan 8.210 nan 0.000 0.424 390 Q N 8.649 128.307 119.800 -0.238 0.000 2.377 390 Q HA 0.268 4.612 4.340 0.007 0.000 0.249 390 Q C -1.930 173.891 176.000 -0.297 0.000 1.005 390 Q CA -1.885 53.805 55.803 -0.188 0.000 0.912 390 Q CB 1.268 29.969 28.738 -0.062 0.000 1.223 390 Q HN 0.473 nan 8.270 nan 0.000 0.459 391 P HA -0.188 nan 4.420 nan 0.000 0.220 391 P C 0.598 177.506 177.300 -0.655 0.000 1.148 391 P CA 1.230 63.863 63.100 -0.779 0.000 0.803 391 P CB 0.339 31.167 31.700 -1.453 0.000 0.782 392 D N 0.176 120.326 120.400 -0.416 0.000 2.277 392 D HA -0.131 4.514 4.640 0.007 0.000 0.208 392 D C 1.564 177.750 176.300 -0.189 0.000 0.962 392 D CA 0.687 54.492 54.000 -0.325 0.000 0.865 392 D CB -0.523 39.921 40.800 -0.594 0.000 0.939 392 D HN 0.238 nan 8.370 nan 0.000 0.510 393 E N 0.151 120.254 120.200 -0.162 0.000 2.107 393 E HA -0.071 4.283 4.350 0.007 0.000 0.191 393 E C 0.108 176.663 176.600 -0.074 0.000 0.982 393 E CA 0.843 57.188 56.400 -0.092 0.000 0.809 393 E CB 0.255 29.910 29.700 -0.076 0.000 0.756 393 E HN 0.120 nan 8.360 nan 0.000 0.459 394 D N -0.590 119.749 120.400 -0.103 0.000 2.323 394 D HA 0.060 4.704 4.640 0.007 0.000 0.242 394 D C 0.553 176.774 176.300 -0.133 0.000 1.347 394 D CA -0.188 53.759 54.000 -0.089 0.000 0.988 394 D CB 1.497 42.252 40.800 -0.076 0.000 1.314 394 D HN -0.219 nan 8.370 nan 0.000 0.564 395 V N 4.512 124.346 119.914 -0.133 0.000 2.469 395 V HA -0.232 3.893 4.120 0.007 0.000 0.251 395 V C 2.456 178.374 176.094 -0.294 0.000 1.064 395 V CA 1.584 63.739 62.300 -0.241 0.000 1.066 395 V CB -0.408 31.224 31.823 -0.318 0.000 0.667 395 V HN 0.497 nan 8.190 nan 0.000 0.461 396 R N -0.035 120.346 120.500 -0.198 0.000 2.091 396 R HA -0.163 4.181 4.340 0.007 0.000 0.238 396 R C 2.316 178.526 176.300 -0.149 0.000 1.136 396 R CA 1.502 57.503 56.100 -0.165 0.000 0.959 396 R CB -0.353 29.892 30.300 -0.091 0.000 0.856 396 R HN 0.479 nan 8.270 nan 0.000 0.437 397 E N 0.089 120.209 120.200 -0.133 0.000 2.106 397 E HA -0.088 4.266 4.350 0.007 0.000 0.192 397 E C 2.066 178.579 176.600 -0.146 0.000 0.984 397 E CA 1.365 57.694 56.400 -0.118 0.000 0.806 397 E CB -0.310 29.327 29.700 -0.104 0.000 0.750 397 E HN 0.308 nan 8.360 nan 0.000 0.458 398 T N 1.945 116.382 114.554 -0.196 0.000 2.746 398 T HA -0.076 4.278 4.350 0.007 0.000 0.267 398 T C 2.156 176.747 174.700 -0.183 0.000 1.039 398 T CA 0.793 62.757 62.100 -0.226 0.000 1.142 398 T CB -0.247 68.435 68.868 -0.310 0.000 0.866 398 T HN 0.075 nan 8.240 nan 0.000 0.444 399 L N 0.788 121.879 121.223 -0.221 0.000 2.083 399 L HA -0.096 4.248 4.340 0.007 0.000 0.209 399 L C 2.711 179.519 176.870 -0.102 0.000 1.083 399 L CA 1.312 56.040 54.840 -0.188 0.000 0.752 399 L CB -0.466 41.413 42.059 -0.300 0.000 0.899 399 L HN 0.226 nan 8.230 nan 0.000 0.433 400 K N 0.494 120.832 120.400 -0.103 0.000 2.026 400 K HA -0.213 4.111 4.320 0.007 0.000 0.208 400 K C 2.142 178.724 176.600 -0.031 0.000 1.048 400 K CA 1.483 57.731 56.287 -0.063 0.000 0.929 400 K CB -0.116 32.349 32.500 -0.058 0.000 0.713 400 K HN 0.262 nan 8.250 nan 0.000 0.439 401 A N 0.733 123.528 122.820 -0.043 0.000 1.902 401 A HA -0.101 4.223 4.320 0.007 0.000 0.217 401 A C 2.249 179.848 177.584 0.026 0.000 1.181 401 A CA 1.633 53.656 52.037 -0.023 0.000 0.623 401 A CB -0.610 18.351 19.000 -0.065 0.000 0.818 401 A HN 0.190 nan 8.150 nan 0.000 0.443 402 V N -0.092 119.844 119.914 0.035 0.000 2.261 402 V HA -0.183 3.941 4.120 0.007 0.000 0.246 402 V C 2.852 179.085 176.094 0.233 0.000 1.047 402 V CA 2.036 64.418 62.300 0.137 0.000 1.015 402 V CB -1.512 30.394 31.823 0.139 0.000 0.642 402 V HN 0.601 nan 8.190 nan 0.000 0.446 403 G N -1.206 107.650 108.800 0.092 0.000 2.442 403 G HA2 -0.272 3.693 3.960 0.007 0.000 0.219 403 G HA3 -0.272 3.693 3.960 0.007 0.000 0.219 403 G C 1.457 176.326 174.900 -0.052 0.000 1.141 403 G CA 0.631 45.662 45.100 -0.115 0.000 0.763 403 G HN 0.556 nan 8.290 nan 0.000 0.554 404 Q N -0.344 119.483 119.800 0.044 0.000 2.437 404 Q HA 0.130 4.475 4.340 0.007 0.000 0.210 404 Q C 2.452 178.562 176.000 0.184 0.000 0.972 404 Q CA 0.150 56.023 55.803 0.116 0.000 0.903 404 Q CB -0.121 28.716 28.738 0.165 0.000 0.967 404 Q HN 0.472 nan 8.270 nan 0.000 0.486 405 L N -0.476 120.874 121.223 0.211 0.000 2.141 405 L HA -0.089 4.256 4.340 0.007 0.000 0.209 405 L C 0.892 178.008 176.870 0.409 0.000 1.094 405 L CA 0.705 55.748 54.840 0.339 0.000 0.763 405 L CB 0.110 42.435 42.059 0.445 0.000 0.908 405 L HN 0.031 nan 8.230 nan 0.000 0.437 406 A N -0.825 122.150 122.820 0.259 0.000 3.158 406 A HA 0.462 4.786 4.320 0.007 0.000 0.302 406 A C -2.640 174.937 177.584 -0.011 0.000 1.162 406 A CA -0.910 51.248 52.037 0.203 0.000 0.824 406 A CB -0.057 19.029 19.000 0.145 0.000 1.322 406 A HN -0.166 nan 8.150 nan 0.000 0.510 407 P HA 0.316 nan 4.420 nan 0.000 0.265 407 P C 1.186 178.422 177.300 -0.106 0.000 1.193 407 P CA 2.047 65.092 63.100 -0.092 0.000 0.765 407 P CB 0.808 32.496 31.700 -0.021 0.000 0.823 408 G N 2.355 111.043 108.800 -0.187 0.000 2.153 408 G HA2 -0.287 3.677 3.960 0.007 0.000 0.252 408 G HA3 -0.287 3.677 3.960 0.007 0.000 0.252 408 G C 0.714 175.548 174.900 -0.109 0.000 0.994 408 G CA 0.749 45.771 45.100 -0.131 0.000 0.698 408 G HN 0.671 nan 8.290 nan 0.000 0.521 409 T N -2.691 111.761 114.554 -0.171 0.000 2.971 409 T HA 0.592 4.946 4.350 0.007 0.000 0.252 409 T C 0.477 175.220 174.700 0.071 0.000 1.022 409 T CA 0.935 63.024 62.100 -0.019 0.000 0.980 409 T CB 0.195 69.111 68.868 0.080 0.000 1.044 409 T HN 1.549 nan 8.240 nan 0.000 0.501 410 F N -0.738 119.184 119.950 -0.048 0.000 2.668 410 F HA 0.821 5.352 4.527 0.007 0.000 0.309 410 F C -0.444 175.349 175.800 -0.013 0.000 1.117 410 F CA -1.797 56.179 58.000 -0.040 0.000 0.951 410 F CB 0.883 39.838 39.000 -0.076 0.000 1.323 410 F HN 0.085 nan 8.300 nan 0.000 0.451 411 G N 0.890 109.843 108.800 0.256 0.000 2.400 411 G HA2 0.577 4.541 3.960 0.007 0.000 0.333 411 G HA3 0.577 4.541 3.960 0.007 0.000 0.333 411 G C -1.633 173.472 174.900 0.342 0.000 1.143 411 G CA -1.095 44.136 45.100 0.219 0.000 0.914 411 G HN 0.684 nan 8.290 nan 0.000 0.480 412 V N 2.159 122.270 119.914 0.329 0.000 2.406 412 V HA 0.200 4.324 4.120 0.007 0.000 0.272 412 V C 0.915 177.212 176.094 0.338 0.000 1.043 412 V CA -0.282 62.218 62.300 0.334 0.000 0.915 412 V CB 1.320 33.338 31.823 0.325 0.000 0.988 412 V HN 0.878 nan 8.190 nan 0.000 0.466 413 K N 3.418 123.959 120.400 0.234 0.000 2.284 413 K HA 0.231 4.555 4.320 0.007 0.000 0.198 413 K C 0.832 177.515 176.600 0.138 0.000 1.048 413 K CA 0.382 56.760 56.287 0.152 0.000 0.987 413 K CB 0.538 33.086 32.500 0.081 0.000 0.800 413 K HN 0.503 nan 8.250 nan 0.000 0.486 414 R N 0.545 121.181 120.500 0.226 0.000 2.594 414 R HA 0.330 4.674 4.340 0.007 0.000 0.265 414 R C -1.873 174.591 176.300 0.274 0.000 1.070 414 R CA -0.422 55.796 56.100 0.196 0.000 0.909 414 R CB 1.197 31.518 30.300 0.034 0.000 1.243 414 R HN -0.057 nan 8.270 nan 0.000 0.455 415 L N 3.633 125.061 121.223 0.343 0.000 2.346 415 L HA 0.724 5.068 4.340 0.007 0.000 0.274 415 L C -0.827 176.109 176.870 0.110 0.000 1.007 415 L CA -1.155 53.862 54.840 0.295 0.000 0.818 415 L CB 2.265 44.576 42.059 0.420 0.000 1.284 415 L HN 0.295 nan 8.230 nan 0.000 0.424 416 V N 3.064 123.039 119.914 0.102 0.000 2.686 416 V HA 0.631 4.755 4.120 0.007 0.000 0.306 416 V C -0.914 175.320 176.094 0.234 0.000 1.065 416 V CA -0.627 61.620 62.300 -0.088 0.000 0.894 416 V CB 1.708 33.273 31.823 -0.431 0.000 1.004 416 V HN 0.662 nan 8.190 nan 0.000 0.424 417 F N 1.470 121.518 119.950 0.163 0.000 2.744 417 F HA 0.772 5.303 4.527 0.007 0.000 0.311 417 F C -1.248 174.697 175.800 0.241 0.000 1.144 417 F CA -1.029 57.085 58.000 0.191 0.000 0.938 417 F CB 1.521 40.583 39.000 0.103 0.000 1.292 417 F HN 0.574 nan 8.300 nan 0.000 0.444 418 H N 1.094 120.356 119.070 0.320 0.000 2.529 418 H HA 0.430 4.990 4.556 0.007 0.000 0.348 418 H C -1.295 174.010 175.328 -0.038 0.000 1.079 418 H CA -0.741 55.369 56.048 0.102 0.000 1.198 418 H CB 1.326 30.978 29.762 -0.183 0.000 1.521 418 H HN 0.756 nan 8.280 nan 0.000 0.514 419 N N 4.755 123.200 118.700 -0.425 0.000 2.482 419 N HA -0.021 4.723 4.740 0.007 0.000 0.242 419 N C -0.012 175.302 175.510 -0.326 0.000 1.100 419 N CA -0.133 52.784 53.050 -0.222 0.000 0.946 419 N CB 0.120 38.583 38.487 -0.041 0.000 1.227 419 N HN 0.730 nan 8.380 nan 0.000 0.508 420 W N 2.710 124.128 121.300 0.197 0.000 2.436 420 W HA -0.067 4.598 4.660 0.008 0.000 0.284 420 W C 2.049 178.667 176.519 0.165 0.000 1.225 420 W CA 0.046 57.556 57.345 0.275 0.000 1.271 420 W CB -0.050 29.602 29.460 0.319 0.000 1.114 420 W HN 0.328 nan 8.180 nan 0.000 0.559 421 V N 0.808 120.905 119.914 0.305 0.000 2.343 421 V HA -0.267 3.857 4.120 0.007 0.000 0.247 421 V C 1.810 177.968 176.094 0.107 0.000 1.051 421 V CA 1.856 64.261 62.300 0.176 0.000 1.036 421 V CB -0.644 31.268 31.823 0.149 0.000 0.654 421 V HN 0.160 nan 8.190 nan 0.000 0.451 422 K N -0.352 120.095 120.400 0.079 0.000 2.444 422 K HA 0.041 4.365 4.320 0.007 0.000 0.193 422 K C 0.522 177.132 176.600 0.016 0.000 1.024 422 K CA -0.110 56.198 56.287 0.034 0.000 1.077 422 K CB 0.051 32.566 32.500 0.025 0.000 0.833 422 K HN 0.329 nan 8.250 nan 0.000 0.517 423 D N 2.414 122.848 120.400 0.056 0.000 2.382 423 D HA -0.071 4.573 4.640 0.007 0.000 0.259 423 D C 0.909 177.222 176.300 0.020 0.000 1.224 423 D CA 0.139 54.185 54.000 0.076 0.000 0.894 423 D CB 0.877 41.839 40.800 0.270 0.000 1.127 423 D HN 0.321 nan 8.370 nan 0.000 0.487 424 E N 2.917 123.004 120.200 -0.189 0.000 2.265 424 E HA -0.202 4.152 4.350 0.007 0.000 0.196 424 E C 0.572 176.955 176.600 -0.360 0.000 0.996 424 E CA 1.014 57.196 56.400 -0.363 0.000 0.832 424 E CB -0.261 29.071 29.700 -0.614 0.000 0.756 424 E HN 0.383 nan 8.360 nan 0.000 0.491 425 F N -0.064 119.978 119.950 0.153 0.000 2.693 425 F HA 0.492 5.024 4.527 0.007 0.000 0.303 425 F C 1.462 177.399 175.800 0.228 0.000 1.097 425 F CA 0.094 58.191 58.000 0.161 0.000 1.330 425 F CB 0.828 39.901 39.000 0.122 0.000 1.067 425 F HN 0.196 nan 8.300 nan 0.000 0.565 426 A N -0.377 122.668 122.820 0.374 0.000 1.853 426 A HA 0.225 4.549 4.320 0.007 0.000 0.204 426 A C 1.145 178.909 177.584 0.300 0.000 1.724 426 A CA -0.189 52.089 52.037 0.403 0.000 1.105 426 A CB 0.207 19.586 19.000 0.632 0.000 1.101 426 A HN 0.060 nan 8.150 nan 0.000 0.495 427 K N -0.137 120.405 120.400 0.236 0.000 3.148 427 K HA -0.092 4.232 4.320 0.007 0.000 0.267 427 K C 0.275 176.930 176.600 0.091 0.000 0.996 427 K CA 0.537 56.902 56.287 0.130 0.000 0.737 427 K CB -2.094 30.453 32.500 0.078 0.000 1.308 427 K HN 1.806 nan 8.250 nan 0.000 0.470 428 G N -1.907 107.005 108.800 0.187 0.000 2.351 428 G HA2 0.385 4.349 3.960 0.007 0.000 0.353 428 G HA3 0.385 4.349 3.960 0.007 0.000 0.353 428 G C -0.850 174.218 174.900 0.279 0.000 1.358 428 G CA -0.372 44.817 45.100 0.149 0.000 0.995 428 G HN 0.448 nan 8.290 nan 0.000 0.611 429 A N -0.672 122.236 122.820 0.147 0.000 3.068 429 A HA 0.871 5.195 4.320 0.007 0.000 0.229 429 A C 0.418 177.967 177.584 -0.058 0.000 1.561 429 A CA 0.211 52.206 52.037 -0.069 0.000 0.876 429 A CB -0.283 18.456 19.000 -0.436 0.000 1.700 429 A HN 2.199 nan 8.150 nan 0.000 0.535 430 W N -1.474 119.825 121.300 -0.001 0.000 2.364 430 W HA 0.266 4.930 4.660 0.007 0.000 0.343 430 W C -0.323 176.099 176.519 -0.161 0.000 1.237 430 W CA -0.764 56.559 57.345 -0.036 0.000 1.319 430 W CB -0.349 29.101 29.460 -0.017 0.000 1.179 430 W HN 0.441 nan 8.180 nan 0.000 0.578 431 F N 4.865 124.723 119.950 -0.152 0.000 2.590 431 F HA 0.213 4.744 4.527 0.007 0.000 0.389 431 F C -0.787 175.095 175.800 0.136 0.000 1.049 431 F CA -0.104 57.661 58.000 -0.392 0.000 1.199 431 F CB -0.120 38.814 39.000 -0.109 0.000 1.058 431 F HN 0.339 nan 8.300 nan 0.000 0.556 432 F N 5.495 124.952 119.950 -0.821 0.000 2.574 432 F HA 0.402 4.933 4.527 0.006 0.000 0.313 432 F C -0.500 174.852 175.800 -0.747 0.000 1.130 432 F CA -0.662 57.002 58.000 -0.560 0.000 0.936 432 F CB 1.489 40.401 39.000 -0.148 0.000 1.219 432 F HN 0.518 nan 8.300 nan 0.000 0.445 433 S N 4.696 119.917 115.700 -0.798 0.000 2.632 433 S HA 0.656 5.130 4.470 0.007 0.000 0.271 433 S C -0.127 174.407 174.600 -0.109 0.000 1.260 433 S CA -0.931 57.010 58.200 -0.432 0.000 1.010 433 S CB 1.390 64.478 63.200 -0.186 0.000 0.965 433 S HN 0.731 nan 8.310 nan 0.000 0.534 434 R N 0.779 121.255 120.500 -0.041 0.000 2.560 434 R HA 0.372 4.716 4.340 0.007 0.000 0.270 434 R C -2.624 173.684 176.300 0.013 0.000 1.074 434 R CA -1.928 54.169 56.100 -0.005 0.000 1.140 434 R CB -0.235 30.069 30.300 0.006 0.000 1.073 434 R HN 0.424 nan 8.270 nan 0.000 0.527 435 P HA -0.078 nan 4.420 nan 0.000 0.262 435 P C 0.546 177.868 177.300 0.036 0.000 1.182 435 P CA 1.174 64.296 63.100 0.038 0.000 0.761 435 P CB 0.507 32.232 31.700 0.041 0.000 0.795 436 G N 3.190 112.014 108.800 0.041 0.000 2.267 436 G HA2 -0.413 3.551 3.960 0.007 0.000 0.257 436 G HA3 -0.413 3.551 3.960 0.007 0.000 0.257 436 G C 1.006 175.950 174.900 0.073 0.000 0.998 436 G CA 0.545 45.676 45.100 0.052 0.000 0.620 436 G HN 0.550 nan 8.290 nan 0.000 0.529 437 M N 0.548 120.193 119.600 0.075 0.000 2.080 437 M HA -0.029 4.455 4.480 0.007 0.000 0.260 437 M C 2.477 178.860 176.300 0.138 0.000 1.068 437 M CA 2.748 58.112 55.300 0.106 0.000 1.109 437 M CB -0.234 32.438 32.600 0.121 0.000 1.342 437 M HN 0.207 nan 8.290 nan 0.000 0.405 438 V N 0.886 120.889 119.914 0.148 0.000 2.295 438 V HA -0.251 3.873 4.120 0.007 0.000 0.246 438 V C 2.634 178.803 176.094 0.125 0.000 1.049 438 V CA 2.122 64.506 62.300 0.140 0.000 1.024 438 V CB -1.099 30.791 31.823 0.113 0.000 0.648 438 V HN 0.759 nan 8.190 nan 0.000 0.447 439 S N -0.137 115.657 115.700 0.157 0.000 2.382 439 S HA -0.289 4.185 4.470 0.007 0.000 0.228 439 S C 1.935 176.710 174.600 0.292 0.000 1.027 439 S CA 1.838 60.221 58.200 0.306 0.000 0.991 439 S CB -0.463 62.965 63.200 0.381 0.000 0.823 439 S HN 0.738 nan 8.310 nan 0.000 0.469 440 E N 0.054 120.354 120.200 0.168 0.000 2.107 440 E HA -0.074 4.280 4.350 0.007 0.000 0.191 440 E C 1.118 177.768 176.600 0.084 0.000 0.982 440 E CA 1.389 57.854 56.400 0.110 0.000 0.809 440 E CB -0.000 29.743 29.700 0.072 0.000 0.756 440 E HN 0.670 nan 8.360 nan 0.000 0.459 441 C N -0.175 119.173 119.300 0.080 0.000 3.230 441 C HA 0.221 4.685 4.460 0.007 0.000 0.300 441 C C 2.068 177.060 174.990 0.003 0.000 1.292 441 C CA -0.657 58.378 59.018 0.029 0.000 1.707 441 C CB -0.446 27.312 27.740 0.030 0.000 2.181 441 C HN 0.438 nan 8.230 nan 0.000 0.655 442 L N 1.828 123.078 121.223 0.043 0.000 2.012 442 L HA -0.202 4.142 4.340 0.007 0.000 0.210 442 L C 2.615 179.480 176.870 -0.008 0.000 1.073 442 L CA 2.115 56.965 54.840 0.018 0.000 0.748 442 L CB -0.815 41.263 42.059 0.031 0.000 0.891 442 L HN 0.435 nan 8.230 nan 0.000 0.431 443 Q N -1.001 118.818 119.800 0.032 0.000 2.030 443 Q HA -0.203 4.141 4.340 0.007 0.000 0.204 443 Q C 2.069 178.036 176.000 -0.056 0.000 0.986 443 Q CA 1.995 57.809 55.803 0.018 0.000 0.843 443 Q CB -0.597 28.177 28.738 0.060 0.000 0.904 443 Q HN 0.626 nan 8.270 nan 0.000 0.420 444 G N 0.785 109.536 108.800 -0.082 0.000 2.442 444 G HA2 -0.238 3.727 3.960 0.007 0.000 0.219 444 G HA3 -0.238 3.727 3.960 0.007 0.000 0.219 444 G C 1.339 176.058 174.900 -0.303 0.000 1.141 444 G CA 0.826 45.833 45.100 -0.156 0.000 0.763 444 G HN 0.344 nan 8.290 nan 0.000 0.554 445 L N -0.616 120.390 121.223 -0.362 0.000 2.275 445 L HA 0.062 4.406 4.340 0.007 0.000 0.215 445 L C 2.860 179.210 176.870 -0.867 0.000 1.119 445 L CA 0.700 55.106 54.840 -0.723 0.000 0.790 445 L CB -0.070 41.627 42.059 -0.604 0.000 0.919 445 L HN 0.158 nan 8.230 nan 0.000 0.443 446 R N -0.289 119.981 120.500 -0.384 0.000 2.334 446 R HA 0.055 4.399 4.340 0.007 0.000 0.212 446 R C 0.526 176.788 176.300 -0.063 0.000 0.897 446 R CA -0.166 55.841 56.100 -0.154 0.000 1.056 446 R CB 0.223 30.534 30.300 0.018 0.000 1.046 446 R HN 0.416 nan 8.270 nan 0.000 0.513 447 E N 2.130 122.269 120.200 -0.102 0.000 2.392 447 E HA 0.067 4.421 4.350 0.007 0.000 0.259 447 E C -0.794 175.831 176.600 0.041 0.000 1.108 447 E CA -0.294 56.090 56.400 -0.026 0.000 0.916 447 E CB 0.770 30.444 29.700 -0.044 0.000 0.989 447 E HN -0.124 nan 8.360 nan 0.000 0.432 448 K N 0.890 121.330 120.400 0.067 0.000 2.440 448 K HA -0.054 4.270 4.320 0.007 0.000 0.270 448 K C 0.128 176.836 176.600 0.180 0.000 0.980 448 K CA 0.397 56.748 56.287 0.105 0.000 0.953 448 K CB 0.250 32.788 32.500 0.063 0.000 0.925 448 K HN 0.518 nan 8.250 nan 0.000 0.497 449 H N 1.019 120.137 119.070 0.081 0.000 2.600 449 H HA 0.098 4.658 4.556 0.007 0.000 0.224 449 H C 0.487 175.854 175.328 0.065 0.000 1.413 449 H CA 0.495 56.600 56.048 0.095 0.000 1.401 449 H CB 0.047 29.947 29.762 0.230 0.000 1.772 449 H HN 0.950 nan 8.280 nan 0.000 0.528 450 G N 1.516 110.258 108.800 -0.096 0.000 2.602 450 G HA2 -0.409 3.556 3.960 0.007 0.000 0.310 450 G HA3 -0.409 3.556 3.960 0.007 0.000 0.310 450 G C 1.142 176.025 174.900 -0.028 0.000 1.183 450 G CA 0.271 45.314 45.100 -0.094 0.000 0.979 450 G HN 0.692 nan 8.290 nan 0.000 0.545 451 G N -0.443 108.345 108.800 -0.020 0.000 3.233 451 G HA2 0.483 4.447 3.960 0.007 0.000 0.227 451 G HA3 0.483 4.447 3.960 0.007 0.000 0.227 451 G C 0.072 174.973 174.900 0.002 0.000 1.175 451 G CA 1.056 46.157 45.100 0.001 0.000 0.781 451 G HN 1.162 nan 8.290 nan 0.000 0.542 452 V N 1.183 121.105 119.914 0.015 0.000 2.417 452 V HA 0.346 4.470 4.120 0.007 0.000 0.291 452 V C -0.348 175.685 176.094 -0.103 0.000 1.024 452 V CA -0.773 61.482 62.300 -0.075 0.000 0.861 452 V CB 1.932 33.691 31.823 -0.106 0.000 0.985 452 V HN -0.058 nan 8.190 nan 0.000 0.436 453 V N 5.597 125.428 119.914 -0.138 0.000 2.333 453 V HA 0.412 4.536 4.120 0.007 0.000 0.274 453 V C -0.378 175.668 176.094 -0.081 0.000 1.028 453 V CA -0.376 61.898 62.300 -0.043 0.000 0.851 453 V CB 0.752 32.574 31.823 -0.001 0.000 1.000 453 V HN 0.637 nan 8.190 nan 0.000 0.456 454 F N 3.609 123.626 119.950 0.110 0.000 2.424 454 F HA 0.658 5.189 4.527 0.007 0.000 0.356 454 F C 0.632 176.741 175.800 0.515 0.000 1.110 454 F CA -0.077 58.058 58.000 0.226 0.000 1.161 454 F CB 1.227 40.200 39.000 -0.044 0.000 1.115 454 F HN 0.557 nan 8.300 nan 0.000 0.507 455 A N 4.686 127.902 122.820 0.661 0.000 2.402 455 A HA 0.647 4.971 4.320 0.007 0.000 0.291 455 A C -1.123 176.420 177.584 -0.068 0.000 1.051 455 A CA -0.565 51.682 52.037 0.349 0.000 0.716 455 A CB 1.375 20.468 19.000 0.155 0.000 1.223 455 A HN 0.706 nan 8.150 nan 0.000 0.425 456 N N 1.101 119.371 118.700 -0.717 0.000 2.636 456 N HA 0.098 4.843 4.740 0.007 0.000 0.261 456 N C 0.650 175.658 175.510 -0.837 0.000 1.195 456 N CA 0.245 52.790 53.050 -0.841 0.000 0.902 456 N CB 2.194 39.981 38.487 -1.167 0.000 1.627 456 N HN 0.453 nan 8.380 nan 0.000 0.491 457 S N 1.260 116.709 115.700 -0.418 0.000 2.407 457 S HA -0.168 4.306 4.470 0.007 0.000 0.235 457 S C 0.759 175.163 174.600 -0.327 0.000 1.036 457 S CA 1.833 59.886 58.200 -0.245 0.000 1.013 457 S CB -0.207 62.962 63.200 -0.052 0.000 0.820 457 S HN 0.586 nan 8.310 nan 0.000 0.476 458 D N 0.330 120.432 120.400 -0.498 0.000 2.228 458 D HA -0.132 4.513 4.640 0.007 0.000 0.203 458 D C 0.969 176.832 176.300 -0.728 0.000 0.988 458 D CA 1.320 54.984 54.000 -0.560 0.000 0.864 458 D CB -0.259 40.344 40.800 -0.327 0.000 0.928 458 D HN 0.934 nan 8.370 nan 0.000 0.469 459 W N -0.373 120.715 121.300 -0.353 0.000 2.128 459 W HA 0.744 5.408 4.660 0.007 0.000 0.356 459 W C -0.123 176.303 176.519 -0.155 0.000 0.891 459 W CA -1.193 55.968 57.345 -0.307 0.000 2.408 459 W CB -0.601 28.725 29.460 -0.223 0.000 1.234 459 W HN -0.149 nan 8.180 nan 0.000 0.597 460 A N 1.021 123.773 122.820 -0.112 0.000 2.346 460 A HA 0.376 4.700 4.320 0.007 0.000 0.255 460 A C 0.864 178.455 177.584 0.012 0.000 1.113 460 A CA 0.162 52.183 52.037 -0.026 0.000 0.798 460 A CB 0.624 19.603 19.000 -0.036 0.000 1.073 460 A HN 0.355 nan 8.150 nan 0.000 0.502 461 L N 0.204 121.457 121.223 0.051 0.000 2.253 461 L HA 0.186 4.530 4.340 0.007 0.000 0.205 461 L C 2.192 179.069 176.870 0.012 0.000 1.078 461 L CA 2.152 57.028 54.840 0.061 0.000 0.805 461 L CB -1.396 40.752 42.059 0.148 0.000 0.963 461 L HN 0.866 nan 8.230 nan 0.000 0.459 462 G N -2.193 106.615 108.800 0.013 0.000 2.568 462 G HA2 -0.113 3.851 3.960 0.007 0.000 0.212 462 G HA3 -0.113 3.851 3.960 0.007 0.000 0.212 462 G C -0.384 174.385 174.900 -0.219 0.000 1.821 462 G CA -0.316 44.595 45.100 -0.315 0.000 0.904 462 G HN 0.258 nan 8.290 nan 0.000 0.566 463 W N 2.674 123.934 121.300 -0.066 0.000 1.435 463 W HA 0.449 5.114 4.660 0.008 0.000 0.471 463 W C 1.029 177.625 176.519 0.127 0.000 0.590 463 W CA -0.869 56.384 57.345 -0.154 0.000 2.419 463 W CB -0.235 29.020 29.460 -0.342 0.000 1.251 463 W HN 0.087 nan 8.180 nan 0.000 0.338 464 R N 1.957 122.629 120.500 0.287 0.000 2.538 464 R HA 0.048 4.392 4.340 0.007 0.000 0.282 464 R C 1.330 177.883 176.300 0.422 0.000 1.009 464 R CA 1.565 57.808 56.100 0.238 0.000 1.063 464 R CB 0.441 30.796 30.300 0.091 0.000 0.945 464 R HN 0.446 nan 8.270 nan 0.000 0.414 465 S N 1.645 117.521 115.700 0.295 0.000 2.659 465 S HA -0.169 4.305 4.470 0.007 0.000 0.264 465 S C -0.396 174.207 174.600 0.004 0.000 1.310 465 S CA 0.695 59.058 58.200 0.271 0.000 1.262 465 S CB -2.060 61.443 63.200 0.505 0.000 1.548 465 S HN 0.501 nan 8.310 nan 0.000 0.657 466 F N 0.697 120.674 119.950 0.046 0.000 2.497 466 F HA 0.667 5.198 4.527 0.007 0.000 0.331 466 F C 1.951 177.761 175.800 0.017 0.000 1.060 466 F CA -0.767 57.213 58.000 -0.032 0.000 0.989 466 F CB 0.497 39.441 39.000 -0.093 0.000 1.245 466 F HN -0.018 nan 8.300 nan 0.000 0.486 467 I N 0.555 121.240 120.570 0.191 0.000 2.248 467 I HA -0.330 3.845 4.170 0.007 0.000 0.248 467 I C 2.258 178.446 176.117 0.118 0.000 1.107 467 I CA 1.636 63.014 61.300 0.131 0.000 1.373 467 I CB -0.272 37.756 38.000 0.045 0.000 1.055 467 I HN 0.715 nan 8.210 nan 0.000 0.418 468 D N 1.051 121.531 120.400 0.133 0.000 2.104 468 D HA -0.179 4.465 4.640 0.007 0.000 0.194 468 D C 2.153 178.557 176.300 0.174 0.000 0.994 468 D CA 1.796 55.886 54.000 0.149 0.000 0.830 468 D CB -0.090 40.715 40.800 0.008 0.000 0.959 468 D HN 0.389 nan 8.370 nan 0.000 0.452 469 G N 0.566 109.487 108.800 0.203 0.000 2.432 469 G HA2 -0.174 3.790 3.960 0.007 0.000 0.219 469 G HA3 -0.174 3.790 3.960 0.007 0.000 0.219 469 G C 1.763 176.662 174.900 -0.001 0.000 1.135 469 G CA 1.262 46.424 45.100 0.103 0.000 0.767 469 G HN 0.443 nan 8.290 nan 0.000 0.550 470 A N 0.818 123.661 122.820 0.037 0.000 1.902 470 A HA 0.027 4.351 4.320 0.007 0.000 0.217 470 A C 2.386 179.974 177.584 0.008 0.000 1.181 470 A CA 1.361 53.403 52.037 0.008 0.000 0.623 470 A CB -0.329 18.726 19.000 0.091 0.000 0.818 470 A HN 0.386 nan 8.150 nan 0.000 0.443 471 I N -0.761 119.838 120.570 0.048 0.000 2.353 471 I HA -0.203 3.971 4.170 0.007 0.000 0.248 471 I C 2.508 178.627 176.117 0.004 0.000 1.119 471 I CA 1.434 62.783 61.300 0.082 0.000 1.417 471 I CB -0.359 37.761 38.000 0.200 0.000 1.078 471 I HN 0.524 nan 8.210 nan 0.000 0.421 472 E N 1.270 121.343 120.200 -0.213 0.000 2.070 472 E HA -0.279 4.075 4.350 0.007 0.000 0.197 472 E C 1.989 178.490 176.600 -0.165 0.000 1.004 472 E CA 1.494 57.580 56.400 -0.524 0.000 0.805 472 E CB 0.094 29.364 29.700 -0.717 0.000 0.744 472 E HN 0.402 nan 8.360 nan 0.000 0.451 473 E N -0.485 119.654 120.200 -0.102 0.000 2.112 473 E HA -0.077 4.277 4.350 0.007 0.000 0.190 473 E C 2.037 178.636 176.600 -0.002 0.000 0.979 473 E CA 0.899 57.272 56.400 -0.045 0.000 0.814 473 E CB -0.350 29.285 29.700 -0.107 0.000 0.762 473 E HN 0.438 nan 8.360 nan 0.000 0.460 474 G N 0.676 109.474 108.800 -0.002 0.000 2.418 474 G HA2 -0.248 3.717 3.960 0.007 0.000 0.217 474 G HA3 -0.248 3.717 3.960 0.007 0.000 0.217 474 G C 1.684 176.611 174.900 0.046 0.000 1.158 474 G CA 1.443 46.557 45.100 0.023 0.000 0.771 474 G HN 0.227 nan 8.290 nan 0.000 0.545 475 T N 0.089 114.679 114.554 0.061 0.000 2.746 475 T HA -0.089 4.265 4.350 0.007 0.000 0.267 475 T C 2.305 177.043 174.700 0.064 0.000 1.039 475 T CA 1.261 63.411 62.100 0.082 0.000 1.142 475 T CB -0.102 68.840 68.868 0.122 0.000 0.866 475 T HN 0.313 nan 8.240 nan 0.000 0.444 476 R N 0.912 121.443 120.500 0.052 0.000 2.073 476 R HA -0.041 4.304 4.340 0.007 0.000 0.234 476 R C 2.656 178.985 176.300 0.049 0.000 1.134 476 R CA 1.426 57.560 56.100 0.056 0.000 0.952 476 R CB -0.502 29.835 30.300 0.063 0.000 0.850 476 R HN 0.363 nan 8.270 nan 0.000 0.433 477 A N 0.859 123.707 122.820 0.046 0.000 1.883 477 A HA -0.173 4.152 4.320 0.007 0.000 0.217 477 A C 2.385 179.966 177.584 -0.004 0.000 1.186 477 A CA 1.950 54.006 52.037 0.031 0.000 0.624 477 A CB -0.923 18.096 19.000 0.031 0.000 0.822 477 A HN 0.566 nan 8.150 nan 0.000 0.444 478 A N -0.525 122.296 122.820 0.001 0.000 1.933 478 A HA -0.152 4.172 4.320 0.007 0.000 0.218 478 A C 2.182 179.752 177.584 -0.023 0.000 1.175 478 A CA 2.134 54.157 52.037 -0.022 0.000 0.628 478 A CB -0.437 18.576 19.000 0.021 0.000 0.814 478 A HN 0.495 nan 8.150 nan 0.000 0.444 479 R N -0.245 120.264 120.500 0.015 0.000 2.073 479 R HA -0.079 4.265 4.340 0.007 0.000 0.234 479 R C 1.864 178.170 176.300 0.010 0.000 1.134 479 R CA 1.980 58.096 56.100 0.026 0.000 0.952 479 R CB -0.952 29.375 30.300 0.045 0.000 0.850 479 R HN 0.249 nan 8.270 nan 0.000 0.433 480 V N -0.359 119.558 119.914 0.005 0.000 2.261 480 V HA -0.244 3.880 4.120 0.007 0.000 0.246 480 V C 2.297 178.369 176.094 -0.036 0.000 1.047 480 V CA 1.922 64.222 62.300 0.000 0.000 1.015 480 V CB -0.438 31.394 31.823 0.014 0.000 0.642 480 V HN 0.199 nan 8.190 nan 0.000 0.446 481 V N -0.350 119.511 119.914 -0.088 0.000 2.295 481 V HA -0.287 3.837 4.120 0.007 0.000 0.246 481 V C 2.328 178.282 176.094 -0.232 0.000 1.049 481 V CA 2.331 64.523 62.300 -0.179 0.000 1.024 481 V CB -0.545 31.117 31.823 -0.268 0.000 0.648 481 V HN 0.528 nan 8.190 nan 0.000 0.447 482 L N -0.207 120.889 121.223 -0.212 0.000 2.042 482 L HA -0.246 4.098 4.340 0.007 0.000 0.210 482 L C 2.572 179.483 176.870 0.069 0.000 1.076 482 L CA 1.985 56.795 54.840 -0.049 0.000 0.749 482 L CB -0.290 41.826 42.059 0.096 0.000 0.893 482 L HN 0.380 nan 8.230 nan 0.000 0.432 483 E N -0.479 119.741 120.200 0.034 0.000 2.077 483 E HA -0.248 4.106 4.350 0.007 0.000 0.193 483 E C 2.091 178.716 176.600 0.043 0.000 0.989 483 E CA 1.556 57.984 56.400 0.047 0.000 0.800 483 E CB -0.040 29.681 29.700 0.035 0.000 0.746 483 E HN 0.584 nan 8.360 nan 0.000 0.452 484 E N 0.246 120.458 120.200 0.019 0.000 2.107 484 E HA -0.099 4.256 4.350 0.007 0.000 0.191 484 E C 1.861 178.486 176.600 0.041 0.000 0.982 484 E CA 0.652 57.065 56.400 0.020 0.000 0.809 484 E CB 0.141 29.841 29.700 0.001 0.000 0.756 484 E HN 0.242 nan 8.360 nan 0.000 0.459 485 L N -0.189 121.067 121.223 0.055 0.000 2.567 485 L HA 0.187 4.531 4.340 0.007 0.000 0.225 485 L C 1.092 178.079 176.870 0.196 0.000 1.119 485 L CA 0.062 54.981 54.840 0.131 0.000 0.871 485 L CB -0.367 41.792 42.059 0.166 0.000 1.036 485 L HN 0.151 nan 8.230 nan 0.000 0.459 486 G N 0.000 108.904 108.800 0.174 0.000 5.446 486 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 486 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 486 G CA 0.000 45.185 45.100 0.142 0.000 0.502 486 G HN 0.000 nan 8.290 nan 0.000 0.925