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_A DATA FIRST_RESID 1 DATA SEQUENCE MTSRDGYQWT PETGLTQGVP SLGVISPPTN IXXXXXXGPW 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 VLEELGT 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 0.000 176.269 176.300 -0.052 0.000 1.140 1 M CA 0.000 55.266 55.300 -0.057 0.000 0.988 1 M CB 0.000 32.550 32.600 -0.083 0.000 1.302 2 T N 1.181 115.703 114.554 -0.054 0.000 2.767 2 T HA 0.396 4.756 4.350 0.017 0.000 0.288 2 T C -0.183 174.472 174.700 -0.075 0.000 0.963 2 T CA -0.218 61.855 62.100 -0.045 0.000 1.019 2 T CB 1.427 70.271 68.868 -0.040 0.000 0.923 2 T HN 0.556 nan 8.240 nan 0.000 0.468 3 S N 1.788 117.443 115.700 -0.076 0.000 2.617 3 S HA 0.240 4.720 4.470 0.017 0.000 0.269 3 S C 1.469 175.995 174.600 -0.125 0.000 1.292 3 S CA -0.727 57.382 58.200 -0.151 0.000 1.010 3 S CB 0.615 63.649 63.200 -0.276 0.000 0.944 3 S HN 0.687 nan 8.310 nan 0.000 0.536 4 R N 0.906 121.322 120.500 -0.140 0.000 2.189 4 R HA 0.023 4.373 4.340 0.017 0.000 0.223 4 R C -0.133 176.093 176.300 -0.123 0.000 1.092 4 R CA 0.667 56.701 56.100 -0.110 0.000 0.989 4 R CB -0.159 30.096 30.300 -0.074 0.000 0.876 4 R HN 0.624 nan 8.270 nan 0.000 0.457 5 D N -0.084 120.213 120.400 -0.171 0.000 2.344 5 D HA 0.329 4.979 4.640 0.017 0.000 0.244 5 D C 0.662 177.041 176.300 0.131 0.000 1.134 5 D CA 0.889 54.831 54.000 -0.096 0.000 0.930 5 D CB 1.035 41.510 40.800 -0.541 0.000 1.175 5 D HN 0.258 nan 8.370 nan 0.000 0.437 6 G N -0.345 108.677 108.800 0.370 0.000 2.699 6 G HA2 -0.085 3.885 3.960 0.017 0.000 0.686 6 G HA3 -0.085 3.885 3.960 0.017 0.000 0.686 6 G C -1.632 173.136 174.900 -0.219 0.000 1.301 6 G CA -0.822 44.439 45.100 0.270 0.000 0.816 6 G HN 0.341 nan 8.290 nan 0.000 0.595 7 Y N -0.268 119.895 120.300 -0.230 0.000 2.553 7 Y HA 0.750 5.310 4.550 0.017 0.000 0.347 7 Y C 0.286 175.905 175.900 -0.468 0.000 1.019 7 Y CA -0.530 57.309 58.100 -0.435 0.000 1.032 7 Y CB 2.565 40.480 38.460 -0.908 0.000 1.284 7 Y HN 0.878 nan 8.280 nan 0.000 0.466 8 Q N 1.541 121.276 119.800 -0.108 0.000 2.389 8 Q HA 0.464 4.814 4.340 0.017 0.000 0.277 8 Q C -2.257 173.797 176.000 0.089 0.000 1.082 8 Q CA -0.802 54.952 55.803 -0.081 0.000 0.810 8 Q CB 2.576 31.252 28.738 -0.103 0.000 1.374 8 Q HN 0.759 nan 8.270 nan 0.000 0.422 9 W N 3.200 124.468 121.300 -0.053 0.000 2.883 9 W HA 0.626 5.296 4.660 0.016 0.000 0.335 9 W C -1.450 175.073 176.519 0.008 0.000 1.083 9 W CA -0.342 57.010 57.345 0.011 0.000 1.233 9 W CB 1.972 31.478 29.460 0.076 0.000 1.412 9 W HN 0.714 nan 8.180 nan 0.000 0.490 10 T N 2.350 116.355 114.554 -0.915 0.000 2.896 10 T HA 0.479 4.839 4.350 0.017 0.000 0.297 10 T C -2.498 171.200 174.700 -1.670 0.000 1.108 10 T CA -1.920 59.531 62.100 -1.081 0.000 1.004 10 T CB 2.314 70.901 68.868 -0.469 0.000 1.159 10 T HN 0.170 nan 8.240 nan 0.000 0.499 11 P HA -0.065 nan 4.420 nan 0.000 0.216 11 P C 1.041 178.117 177.300 -0.374 0.000 1.150 11 P CA 1.179 63.895 63.100 -0.640 0.000 0.843 11 P CB 0.120 31.679 31.700 -0.236 0.000 0.787 12 E N -1.295 118.709 120.200 -0.327 0.000 2.107 12 E HA -0.094 4.266 4.350 0.017 0.000 0.191 12 E C 1.853 178.342 176.600 -0.185 0.000 0.982 12 E CA 1.829 58.112 56.400 -0.194 0.000 0.809 12 E CB -1.065 28.546 29.700 -0.148 0.000 0.756 12 E HN 0.376 nan 8.360 nan 0.000 0.459 13 T N -3.236 111.163 114.554 -0.258 0.000 3.022 13 T HA 0.427 4.787 4.350 0.017 0.000 0.250 13 T C 1.188 175.790 174.700 -0.163 0.000 1.060 13 T CA 0.115 62.107 62.100 -0.181 0.000 1.013 13 T CB 0.139 68.911 68.868 -0.160 0.000 0.982 13 T HN 0.271 nan 8.240 nan 0.000 0.508 14 G N 1.691 110.321 108.800 -0.284 0.000 2.645 14 G HA2 -0.142 3.828 3.960 0.017 0.000 0.246 14 G HA3 -0.142 3.828 3.960 0.017 0.000 0.246 14 G C -0.597 174.335 174.900 0.053 0.000 1.322 14 G CA -0.255 44.793 45.100 -0.087 0.000 0.898 14 G HN 0.837 nan 8.290 nan 0.000 0.573 15 L N 1.650 123.067 121.223 0.322 0.000 2.281 15 L HA 0.675 5.025 4.340 0.017 0.000 0.285 15 L C 1.062 178.051 176.870 0.200 0.000 1.074 15 L CA 0.735 55.776 54.840 0.334 0.000 0.817 15 L CB 0.932 43.194 42.059 0.338 0.000 1.168 15 L HN 1.263 nan 8.230 nan 0.000 0.434 16 T N 1.648 116.296 114.554 0.157 0.000 2.863 16 T HA 0.476 4.836 4.350 0.017 0.000 0.285 16 T C -0.348 174.379 174.700 0.046 0.000 1.009 16 T CA -0.863 61.288 62.100 0.085 0.000 0.989 16 T CB 1.408 70.284 68.868 0.013 0.000 1.004 16 T HN 0.637 nan 8.240 nan 0.000 0.455 17 Q N 0.750 120.521 119.800 -0.049 0.000 2.261 17 Q HA 0.543 4.893 4.340 0.017 0.000 0.252 17 Q C 0.384 176.263 176.000 -0.201 0.000 0.915 17 Q CA 0.041 55.668 55.803 -0.293 0.000 0.915 17 Q CB 1.289 29.860 28.738 -0.279 0.000 1.204 17 Q HN 1.365 nan 8.270 nan 0.000 0.421 18 G N 0.364 109.025 108.800 -0.231 0.000 3.190 18 G HA2 -0.048 3.922 3.960 0.017 0.000 0.686 18 G HA3 -0.048 3.922 3.960 0.017 0.000 0.686 18 G C -0.766 174.102 174.900 -0.054 0.000 1.033 18 G CA -0.361 44.672 45.100 -0.112 0.000 0.797 18 G HN 0.760 nan 8.290 nan 0.000 0.567 19 V N 0.210 120.137 119.914 0.020 0.000 3.078 19 V HA 0.998 5.128 4.120 0.017 0.000 0.311 19 V C -2.335 173.808 176.094 0.083 0.000 1.138 19 V CA -2.336 59.987 62.300 0.039 0.000 1.007 19 V CB 2.378 34.218 31.823 0.029 0.000 1.045 19 V HN 0.791 nan 8.190 nan 0.000 0.432 20 P HA 0.377 nan 4.420 nan 0.000 0.272 20 P C -0.496 176.872 177.300 0.114 0.000 1.223 20 P CA 0.220 63.350 63.100 0.049 0.000 0.784 20 P CB 1.364 33.076 31.700 0.021 0.000 0.923 21 S N 1.108 116.856 115.700 0.080 0.000 2.562 21 S HA 0.246 4.726 4.470 0.017 0.000 0.274 21 S C 0.874 175.474 174.600 -0.001 0.000 1.160 21 S CA -0.657 57.611 58.200 0.112 0.000 0.933 21 S CB 0.463 63.836 63.200 0.289 0.000 1.100 21 S HN 0.259 nan 8.310 nan 0.000 0.468 22 L N 3.662 124.879 121.223 -0.009 0.000 2.450 22 L HA 0.062 4.412 4.340 0.017 0.000 0.224 22 L C 2.470 179.261 176.870 -0.133 0.000 1.149 22 L CA 1.384 56.185 54.840 -0.065 0.000 0.816 22 L CB -0.484 41.546 42.059 -0.048 0.000 0.932 22 L HN 0.863 nan 8.230 nan 0.000 0.449 23 G N -0.422 108.310 108.800 -0.114 0.000 2.484 23 G HA2 -0.049 3.921 3.960 0.017 0.000 0.218 23 G HA3 -0.049 3.921 3.960 0.017 0.000 0.218 23 G C 0.761 175.423 174.900 -0.396 0.000 1.130 23 G CA -0.132 44.831 45.100 -0.229 0.000 0.784 23 G HN 0.120 nan 8.290 nan 0.000 0.543 24 V N 2.705 122.421 119.914 -0.330 0.000 2.529 24 V HA 0.107 4.237 4.120 0.017 0.000 0.292 24 V C 0.070 175.863 176.094 -0.503 0.000 1.028 24 V CA -0.237 61.819 62.300 -0.406 0.000 1.074 24 V CB 1.111 32.776 31.823 -0.264 0.000 0.958 24 V HN 0.087 nan 8.190 nan 0.000 0.481 25 I N 4.732 124.851 120.570 -0.752 0.000 2.321 25 I HA 0.396 4.576 4.170 0.017 0.000 0.291 25 I C 0.225 176.088 176.117 -0.423 0.000 0.998 25 I CA 0.391 61.224 61.300 -0.777 0.000 1.227 25 I CB 1.216 38.329 38.000 -1.478 0.000 1.368 25 I HN 0.638 nan 8.210 nan 0.000 0.466 26 S N 8.239 123.816 115.700 -0.206 0.000 2.557 26 S HA 0.750 5.230 4.470 0.017 0.000 0.291 26 S C -2.342 172.282 174.600 0.040 0.000 1.116 26 S CA -0.902 57.258 58.200 -0.066 0.000 0.992 26 S CB 1.419 64.576 63.200 -0.071 0.000 1.028 26 S HN 0.518 nan 8.310 nan 0.000 0.484 27 P HA 0.330 nan 4.420 nan 0.000 0.272 27 P C -2.267 175.145 177.300 0.187 0.000 1.230 27 P CA -1.215 61.946 63.100 0.102 0.000 0.788 27 P CB 0.091 31.851 31.700 0.100 0.000 0.949 28 P HA -0.015 nan 4.420 nan 0.000 0.237 28 P C 0.365 177.925 177.300 0.432 0.000 1.178 28 P CA 0.976 64.219 63.100 0.238 0.000 0.766 28 P CB 0.438 32.220 31.700 0.138 0.000 0.876 29 T N 0.387 115.072 114.554 0.218 0.000 2.894 29 T HA 0.364 4.724 4.350 0.017 0.000 0.309 29 T C -0.204 174.300 174.700 -0.325 0.000 1.208 29 T CA -0.638 61.402 62.100 -0.101 0.000 1.016 29 T CB 0.913 69.767 68.868 -0.023 0.000 1.192 29 T HN -0.058 nan 8.240 nan 0.000 0.491 30 N N 2.670 120.975 118.700 -0.659 0.000 2.197 30 N HA 0.217 4.968 4.740 0.017 0.000 0.228 30 N C 0.270 175.695 175.510 -0.142 0.000 1.212 30 N CA -0.321 52.521 53.050 -0.347 0.000 0.883 30 N CB -0.271 37.997 38.487 -0.364 0.000 1.107 30 N HN 0.771 nan 8.380 nan 0.000 0.519 39 P HA 0.492 nan 4.420 nan 0.000 0.276 39 P C -1.585 175.397 177.300 -0.530 0.000 1.252 39 P CA -0.194 62.666 63.100 -0.399 0.000 0.802 39 P CB 0.983 32.592 31.700 -0.151 0.000 1.035 40 W N 0.164 121.500 121.300 0.059 0.000 2.475 40 W HA 0.212 4.882 4.660 0.017 0.000 0.317 40 W C 0.952 177.513 176.519 0.070 0.000 1.046 40 W CA -0.575 56.808 57.345 0.063 0.000 1.215 40 W CB 1.357 30.853 29.460 0.061 0.000 1.335 40 W HN 0.320 nan 8.180 nan 0.000 0.471 41 D N 1.336 121.935 120.400 0.330 0.000 2.097 41 D HA -0.073 4.577 4.640 0.017 0.000 0.195 41 D C 0.325 176.734 176.300 0.182 0.000 0.989 41 D CA 1.407 55.566 54.000 0.266 0.000 0.827 41 D CB 0.153 41.196 40.800 0.405 0.000 0.966 41 D HN 0.023 nan 8.370 nan 0.000 0.456 42 V N 0.779 120.801 119.914 0.181 0.000 2.841 42 V HA 0.381 4.511 4.120 0.017 0.000 0.310 42 V C -0.257 175.845 176.094 0.012 0.000 1.090 42 V CA -0.807 61.523 62.300 0.050 0.000 0.930 42 V CB 2.775 34.571 31.823 -0.046 0.000 1.014 42 V HN -0.118 nan 8.190 nan 0.000 0.425 43 I N 3.212 123.753 120.570 -0.048 0.000 2.354 43 I HA 0.495 4.675 4.170 0.017 0.000 0.292 43 I C -0.619 175.417 176.117 -0.135 0.000 0.989 43 I CA -0.789 60.421 61.300 -0.150 0.000 1.188 43 I CB 1.979 39.889 38.000 -0.151 0.000 1.342 43 I HN 0.309 nan 8.210 nan 0.000 0.457 44 V N 7.574 127.390 119.914 -0.165 0.000 2.370 44 V HA 0.395 4.525 4.120 0.017 0.000 0.283 44 V C 0.146 176.140 176.094 -0.167 0.000 1.023 44 V CA -0.483 61.739 62.300 -0.131 0.000 0.857 44 V CB 1.465 33.229 31.823 -0.098 0.000 0.985 44 V HN 0.461 nan 8.190 nan 0.000 0.443 45 I N 4.736 125.227 120.570 -0.131 0.000 2.304 45 I HA 0.681 4.861 4.170 0.017 0.000 0.291 45 I C 0.787 176.837 176.117 -0.113 0.000 1.018 45 I CA 0.024 61.241 61.300 -0.139 0.000 1.260 45 I CB 1.070 39.019 38.000 -0.084 0.000 1.390 45 I HN 0.864 nan 8.210 nan 0.000 0.475 46 G N 3.778 112.478 108.800 -0.166 0.000 3.209 46 G HA2 -0.019 3.951 3.960 0.017 0.000 0.686 46 G HA3 -0.019 3.951 3.960 0.017 0.000 0.686 46 G C 0.033 174.846 174.900 -0.145 0.000 1.065 46 G CA -0.463 44.550 45.100 -0.144 0.000 0.812 46 G HN 1.030 nan 8.290 nan 0.000 0.573 47 G N 0.950 109.650 108.800 -0.166 0.000 4.098 47 G HA2 0.681 4.651 3.960 0.017 0.000 0.300 47 G HA3 0.681 4.651 3.960 0.017 0.000 0.300 47 G C 0.942 175.738 174.900 -0.173 0.000 1.187 47 G CA 0.944 45.962 45.100 -0.136 0.000 0.964 47 G HN 1.343 nan 8.290 nan 0.000 0.559 48 G N -0.521 108.181 108.800 -0.163 0.000 2.570 48 G HA2 0.259 4.230 3.960 0.017 0.000 0.276 48 G HA3 0.259 4.230 3.960 0.017 0.000 0.276 48 G C 0.669 175.400 174.900 -0.282 0.000 1.346 48 G CA -0.458 44.508 45.100 -0.222 0.000 1.034 48 G HN 0.157 nan 8.290 nan 0.000 0.512 49 Y N -1.224 118.986 120.300 -0.150 0.000 2.256 49 Y HA -0.123 4.437 4.550 0.017 0.000 0.288 49 Y C 2.902 178.660 175.900 -0.237 0.000 1.155 49 Y CA 1.018 58.947 58.100 -0.285 0.000 1.203 49 Y CB -0.705 37.636 38.460 -0.198 0.000 0.980 49 Y HN 0.418 nan 8.280 nan 0.000 0.530 50 C N -0.207 119.087 119.300 -0.010 0.000 2.473 50 C HA -0.050 4.421 4.460 0.017 0.000 0.279 50 C C 3.073 178.042 174.990 -0.036 0.000 1.250 50 C CA 1.557 60.559 59.018 -0.028 0.000 1.713 50 C CB -1.343 26.364 27.740 -0.055 0.000 2.066 50 C HN 0.658 nan 8.230 nan 0.000 0.474 51 G N 0.399 109.167 108.800 -0.054 0.000 2.442 51 G HA2 -0.153 3.817 3.960 0.017 0.000 0.219 51 G HA3 -0.153 3.817 3.960 0.017 0.000 0.219 51 G C 1.630 176.513 174.900 -0.028 0.000 1.141 51 G CA 1.083 46.154 45.100 -0.048 0.000 0.763 51 G HN 0.603 nan 8.290 nan 0.000 0.554 52 L N 0.326 121.508 121.223 -0.068 0.000 2.056 52 L HA -0.078 4.272 4.340 0.017 0.000 0.207 52 L C 3.204 180.118 176.870 0.074 0.000 1.078 52 L CA 1.541 56.366 54.840 -0.025 0.000 0.749 52 L CB -0.747 41.185 42.059 -0.212 0.000 0.901 52 L HN 0.172 nan 8.230 nan 0.000 0.433 53 T N -0.111 114.448 114.554 0.009 0.000 2.708 53 T HA -0.164 4.197 4.350 0.017 0.000 0.266 53 T C 2.031 176.820 174.700 0.148 0.000 1.037 53 T CA 1.341 63.548 62.100 0.179 0.000 1.146 53 T CB -0.268 68.683 68.868 0.139 0.000 0.865 53 T HN 0.435 nan 8.240 nan 0.000 0.435 54 A N 1.408 124.273 122.820 0.076 0.000 1.883 54 A HA -0.149 4.181 4.320 0.017 0.000 0.217 54 A C 2.569 180.188 177.584 0.058 0.000 1.186 54 A CA 2.211 54.280 52.037 0.053 0.000 0.624 54 A CB -1.330 17.680 19.000 0.016 0.000 0.822 54 A HN 0.484 nan 8.150 nan 0.000 0.444 55 T N -0.647 113.941 114.554 0.057 0.000 2.746 55 T HA -0.142 4.218 4.350 0.017 0.000 0.267 55 T C 2.132 176.882 174.700 0.082 0.000 1.039 55 T CA 1.312 63.443 62.100 0.052 0.000 1.142 55 T CB -0.263 68.626 68.868 0.036 0.000 0.866 55 T HN 0.458 nan 8.240 nan 0.000 0.444 56 R N 1.334 121.914 120.500 0.133 0.000 2.070 56 R HA -0.135 4.216 4.340 0.017 0.000 0.233 56 R C 1.772 178.146 176.300 0.123 0.000 1.137 56 R CA 1.884 58.072 56.100 0.145 0.000 0.945 56 R CB -0.766 29.686 30.300 0.254 0.000 0.845 56 R HN 0.273 nan 8.270 nan 0.000 0.430 57 D N 0.791 121.271 120.400 0.133 0.000 2.104 57 D HA -0.156 4.494 4.640 0.017 0.000 0.194 57 D C 2.093 178.478 176.300 0.142 0.000 0.994 57 D CA 1.230 55.302 54.000 0.119 0.000 0.830 57 D CB -0.266 40.601 40.800 0.112 0.000 0.959 57 D HN 0.232 nan 8.370 nan 0.000 0.452 58 L N 0.455 121.764 121.223 0.143 0.000 2.027 58 L HA -0.152 4.198 4.340 0.017 0.000 0.206 58 L C 2.697 179.739 176.870 0.286 0.000 1.074 58 L CA 1.671 56.647 54.840 0.226 0.000 0.745 58 L CB -0.893 41.226 42.059 0.100 0.000 0.898 58 L HN 0.177 nan 8.230 nan 0.000 0.433 59 T N -3.158 111.498 114.554 0.170 0.000 2.746 59 T HA -0.144 4.216 4.350 0.017 0.000 0.267 59 T C 1.806 176.559 174.700 0.087 0.000 1.039 59 T CA 1.273 63.447 62.100 0.124 0.000 1.142 59 T CB -0.821 68.086 68.868 0.065 0.000 0.866 59 T HN 0.081 nan 8.240 nan 0.000 0.444 60 V N 2.114 122.077 119.914 0.081 0.000 2.407 60 V HA -0.012 4.118 4.120 0.017 0.000 0.248 60 V C 3.097 179.220 176.094 0.049 0.000 1.055 60 V CA 1.547 63.879 62.300 0.054 0.000 1.049 60 V CB -1.233 30.620 31.823 0.050 0.000 0.662 60 V HN 0.716 nan 8.190 nan 0.000 0.455 61 A N -0.872 122.005 122.820 0.096 0.000 2.235 61 A HA 0.392 4.722 4.320 0.017 0.000 0.208 61 A C 1.878 179.409 177.584 -0.089 0.000 1.172 61 A CA 1.094 53.172 52.037 0.070 0.000 0.786 61 A CB -0.327 18.800 19.000 0.212 0.000 0.804 61 A HN 1.162 nan 8.150 nan 0.000 0.479 62 G N -2.312 106.445 108.800 -0.072 0.000 2.168 62 G HA2 -0.181 3.789 3.960 0.017 0.000 0.197 62 G HA3 -0.181 3.789 3.960 0.017 0.000 0.197 62 G C -0.124 174.635 174.900 -0.235 0.000 0.997 62 G CA -0.203 44.788 45.100 -0.181 0.000 0.658 62 G HN 0.269 nan 8.290 nan 0.000 0.513 63 F N 1.425 121.402 119.950 0.044 0.000 2.410 63 F HA 0.496 5.033 4.527 0.017 0.000 0.348 63 F C 1.005 176.860 175.800 0.092 0.000 1.106 63 F CA -0.466 57.571 58.000 0.062 0.000 1.163 63 F CB 1.252 40.290 39.000 0.063 0.000 1.129 63 F HN -0.072 nan 8.300 nan 0.000 0.516 64 K N 2.608 123.183 120.400 0.291 0.000 2.363 64 K HA 0.213 4.543 4.320 0.017 0.000 0.289 64 K C -0.817 176.059 176.600 0.460 0.000 1.063 64 K CA 0.127 56.606 56.287 0.319 0.000 0.967 64 K CB 0.127 32.751 32.500 0.205 0.000 0.987 64 K HN 0.655 nan 8.250 nan 0.000 0.473 65 T N 4.803 119.578 114.554 0.368 0.000 2.812 65 T HA 0.275 4.635 4.350 0.017 0.000 0.282 65 T C -1.155 173.483 174.700 -0.103 0.000 0.990 65 T CA -0.722 61.476 62.100 0.162 0.000 0.960 65 T CB 1.074 69.997 68.868 0.091 0.000 0.948 65 T HN 0.370 nan 8.240 nan 0.000 0.438 66 L N 4.436 125.402 121.223 -0.428 0.000 2.280 66 L HA 0.633 4.983 4.340 0.017 0.000 0.287 66 L C -0.917 175.665 176.870 -0.480 0.000 1.023 66 L CA -0.751 53.592 54.840 -0.828 0.000 0.819 66 L CB 0.805 41.919 42.059 -1.575 0.000 1.212 66 L HN 0.656 nan 8.230 nan 0.000 0.420 67 L N 6.123 127.145 121.223 -0.335 0.000 2.264 67 L HA 0.518 4.868 4.340 0.017 0.000 0.289 67 L C -1.189 175.442 176.870 -0.399 0.000 1.044 67 L CA -0.246 54.431 54.840 -0.270 0.000 0.807 67 L CB 0.664 42.663 42.059 -0.100 0.000 1.192 67 L HN 0.612 nan 8.230 nan 0.000 0.425 68 L N 4.916 125.874 121.223 -0.441 0.000 2.305 68 L HA 0.553 4.903 4.340 0.017 0.000 0.284 68 L C -0.665 175.928 176.870 -0.462 0.000 1.013 68 L CA -0.532 54.007 54.840 -0.502 0.000 0.819 68 L CB 1.674 43.421 42.059 -0.520 0.000 1.227 68 L HN 0.529 nan 8.230 nan 0.000 0.417 69 E N 2.003 121.864 120.200 -0.565 0.000 2.234 69 E HA 0.528 4.888 4.350 0.017 0.000 0.266 69 E C 0.158 176.511 176.600 -0.410 0.000 0.877 69 E CA -0.315 55.776 56.400 -0.515 0.000 0.758 69 E CB 2.115 31.384 29.700 -0.719 0.000 1.170 69 E HN 0.553 nan 8.360 nan 0.000 0.415 70 A N 5.068 127.597 122.820 -0.485 0.000 1.902 70 A HA -0.056 4.274 4.320 0.017 0.000 0.217 70 A C 1.042 178.314 177.584 -0.520 0.000 1.181 70 A CA 1.098 52.712 52.037 -0.705 0.000 0.623 70 A CB -0.272 17.747 19.000 -1.635 0.000 0.818 70 A HN 0.616 nan 8.150 nan 0.000 0.443 71 R N -0.291 119.981 120.500 -0.380 0.000 2.574 71 R HA 0.275 4.625 4.340 0.017 0.000 0.266 71 R C 0.276 176.566 176.300 -0.017 0.000 1.157 71 R CA 0.208 56.210 56.100 -0.163 0.000 1.187 71 R CB 0.060 30.260 30.300 -0.165 0.000 1.179 71 R HN 0.471 nan 8.270 nan 0.000 0.600 72 D N -0.370 119.978 120.400 -0.086 0.000 2.328 72 D HA -0.008 4.642 4.640 0.017 0.000 0.221 72 D C -0.062 176.025 176.300 -0.355 0.000 1.072 72 D CA 0.006 53.922 54.000 -0.140 0.000 0.850 72 D CB 0.056 40.762 40.800 -0.156 0.000 0.922 72 D HN 0.422 nan 8.370 nan 0.000 0.516 73 R N -0.341 119.976 120.500 -0.305 0.000 2.817 73 R HA 0.616 4.966 4.340 0.017 0.000 0.268 73 R C -0.235 175.909 176.300 -0.261 0.000 1.027 73 R CA -1.151 54.676 56.100 -0.456 0.000 0.928 73 R CB 1.024 31.049 30.300 -0.458 0.000 1.228 73 R HN 0.050 nan 8.270 nan 0.000 0.469 74 I N -2.164 118.191 120.570 -0.358 0.000 3.078 74 I HA 0.781 4.961 4.170 0.017 0.000 0.318 74 I C 0.660 176.618 176.117 -0.266 0.000 1.016 74 I CA -0.031 61.112 61.300 -0.262 0.000 1.130 74 I CB 1.529 39.313 38.000 -0.359 0.000 1.397 74 I HN 0.941 nan 8.210 nan 0.000 0.570 75 G N 0.643 109.254 108.800 -0.316 0.000 2.313 75 G HA2 -0.034 3.936 3.960 0.017 0.000 0.215 75 G HA3 -0.034 3.936 3.960 0.017 0.000 0.215 75 G C 0.991 175.782 174.900 -0.183 0.000 1.023 75 G CA 0.188 45.082 45.100 -0.343 0.000 0.626 75 G HN 2.036 nan 8.290 nan 0.000 0.503 76 G N 0.534 109.275 108.800 -0.099 0.000 2.634 76 G HA2 -0.409 3.561 3.960 0.017 0.000 0.318 76 G HA3 -0.409 3.561 3.960 0.017 0.000 0.318 76 G C 0.872 175.908 174.900 0.225 0.000 1.207 76 G CA 1.439 46.558 45.100 0.032 0.000 0.987 76 G HN 1.212 nan 8.290 nan 0.000 0.547 77 R N 0.969 121.541 120.500 0.120 0.000 2.328 77 R HA 0.399 4.749 4.340 0.017 0.000 0.200 77 R C 0.714 177.016 176.300 0.002 0.000 0.983 77 R CA 0.816 56.816 56.100 -0.167 0.000 1.062 77 R CB 0.001 30.138 30.300 -0.271 0.000 0.956 77 R HN 0.352 nan 8.270 nan 0.000 0.479 78 S N 0.901 116.781 115.700 0.299 0.000 2.672 78 S HA 0.541 5.021 4.470 0.017 0.000 0.291 78 S C -1.735 173.176 174.600 0.519 0.000 1.145 78 S CA -0.828 57.611 58.200 0.399 0.000 1.013 78 S CB 0.698 64.179 63.200 0.469 0.000 1.017 78 S HN 0.380 nan 8.310 nan 0.000 0.487 79 W N 2.255 123.680 121.300 0.210 0.000 3.298 79 W HA 0.594 5.265 4.660 0.018 0.000 0.302 79 W C -1.662 174.932 176.519 0.125 0.000 1.255 79 W CA -0.838 56.579 57.345 0.120 0.000 1.196 79 W CB 0.236 29.728 29.460 0.055 0.000 1.364 79 W HN 0.694 nan 8.180 nan 0.000 0.566 80 S N 0.706 116.460 115.700 0.090 0.000 2.532 80 S HA 0.687 5.168 4.470 0.017 0.000 0.301 80 S C -1.046 173.519 174.600 -0.059 0.000 1.083 80 S CA -0.720 57.419 58.200 -0.102 0.000 1.025 80 S CB 2.196 65.364 63.200 -0.054 0.000 1.056 80 S HN 0.699 nan 8.310 nan 0.000 0.494 81 S N 1.819 117.435 115.700 -0.140 0.000 2.530 81 S HA 0.420 4.900 4.470 0.017 0.000 0.322 81 S C -1.113 173.504 174.600 0.029 0.000 1.085 81 S CA -0.813 57.368 58.200 -0.031 0.000 1.096 81 S CB -0.166 62.980 63.200 -0.090 0.000 0.988 81 S HN 0.665 nan 8.310 nan 0.000 0.466 82 N N 4.907 123.624 118.700 0.027 0.000 2.402 82 N HA 0.330 5.080 4.740 0.017 0.000 0.252 82 N C -0.827 174.734 175.510 0.085 0.000 1.118 82 N CA 0.129 53.200 53.050 0.036 0.000 0.945 82 N CB 0.368 38.854 38.487 -0.001 0.000 1.147 82 N HN 0.612 nan 8.380 nan 0.000 0.495 83 I N 1.505 122.186 120.570 0.186 0.000 2.410 83 I HA 0.109 4.289 4.170 0.017 0.000 0.286 83 I C -0.219 176.011 176.117 0.189 0.000 1.009 83 I CA -0.664 60.733 61.300 0.161 0.000 1.111 83 I CB 1.227 39.290 38.000 0.105 0.000 1.262 83 I HN 0.260 nan 8.210 nan 0.000 0.443 84 D N 5.506 125.965 120.400 0.098 0.000 2.686 84 D HA -0.201 4.449 4.640 0.017 0.000 0.235 84 D C 1.126 177.482 176.300 0.093 0.000 1.160 84 D CA 1.719 55.766 54.000 0.080 0.000 0.645 84 D CB -0.953 39.889 40.800 0.069 0.000 1.039 84 D HN 1.143 nan 8.370 nan 0.000 0.423 85 G N -0.783 108.066 108.800 0.081 0.000 2.162 85 G HA2 -0.356 3.614 3.960 0.017 0.000 0.260 85 G HA3 -0.356 3.614 3.960 0.017 0.000 0.260 85 G C -0.103 174.850 174.900 0.087 0.000 0.976 85 G CA 0.429 45.568 45.100 0.065 0.000 0.655 85 G HN 0.570 nan 8.290 nan 0.000 0.533 86 Y N 1.507 121.766 120.300 -0.068 0.000 2.350 86 Y HA 0.597 5.157 4.550 0.017 0.000 0.338 86 Y C -2.432 173.302 175.900 -0.277 0.000 0.961 86 Y CA -2.740 55.230 58.100 -0.216 0.000 1.100 86 Y CB 2.416 40.659 38.460 -0.362 0.000 1.179 86 Y HN 0.018 nan 8.280 nan 0.000 0.454 87 P HA 0.138 nan 4.420 nan 0.000 0.280 87 P C -1.583 175.260 177.300 -0.762 0.000 1.300 87 P CA 0.281 63.052 63.100 -0.548 0.000 0.785 87 P CB -0.034 31.413 31.700 -0.422 0.000 0.874 88 Y N 1.520 121.574 120.300 -0.410 0.000 2.350 88 Y HA 0.164 4.724 4.550 0.017 0.000 0.340 88 Y C 1.339 176.957 175.900 -0.468 0.000 1.006 88 Y CA -0.163 57.614 58.100 -0.539 0.000 1.166 88 Y CB 0.938 39.118 38.460 -0.467 0.000 1.168 88 Y HN 0.255 nan 8.280 nan 0.000 0.502 89 E N 5.141 125.160 120.200 -0.301 0.000 1.996 89 E HA 0.081 4.442 4.350 0.017 0.000 0.280 89 E C 0.454 177.158 176.600 0.175 0.000 1.092 89 E CA -0.108 56.243 56.400 -0.081 0.000 0.862 89 E CB 0.884 30.532 29.700 -0.087 0.000 1.066 89 E HN 0.762 nan 8.360 nan 0.000 0.396 90 M N 0.913 120.449 119.600 -0.106 0.000 2.254 90 M HA 0.019 4.510 4.480 0.017 0.000 0.265 90 M C 1.202 177.831 176.300 0.549 0.000 1.066 90 M CA 0.871 56.159 55.300 -0.019 0.000 1.123 90 M CB -0.530 31.464 32.600 -1.009 0.000 1.388 90 M HN 0.448 nan 8.290 nan 0.000 0.425 91 G N -1.080 107.988 108.800 0.446 0.000 3.354 91 G HA2 0.491 4.462 3.960 0.017 0.000 0.174 91 G HA3 0.491 4.462 3.960 0.017 0.000 0.174 91 G C -0.383 174.639 174.900 0.203 0.000 1.140 91 G CA -0.115 45.224 45.100 0.398 0.000 0.897 91 G HN 0.360 nan 8.290 nan 0.000 0.685 92 G N -0.274 108.607 108.800 0.135 0.000 2.178 92 G HA2 0.394 4.364 3.960 0.017 0.000 0.244 92 G HA3 0.394 4.364 3.960 0.017 0.000 0.244 92 G C 0.426 175.373 174.900 0.078 0.000 1.213 92 G CA 0.998 46.169 45.100 0.117 0.000 0.912 92 G HN 0.495 nan 8.290 nan 0.000 0.474 93 T N 1.935 116.453 114.554 -0.059 0.000 3.280 93 T HA 0.145 4.505 4.350 0.017 0.000 0.256 93 T C 0.374 174.882 174.700 -0.321 0.000 0.995 93 T CA -0.031 61.870 62.100 -0.331 0.000 1.144 93 T CB 0.313 68.593 68.868 -0.981 0.000 1.140 93 T HN 0.546 nan 8.240 nan 0.000 0.423 94 W N 3.431 124.724 121.300 -0.012 0.000 2.381 94 W HA 0.627 5.298 4.660 0.017 0.000 0.329 94 W C -0.251 176.185 176.519 -0.139 0.000 1.157 94 W CA -0.931 56.361 57.345 -0.088 0.000 1.240 94 W CB 0.869 30.269 29.460 -0.100 0.000 1.199 94 W HN 0.063 nan 8.180 nan 0.000 0.579 95 V N -0.469 119.470 119.914 0.043 0.000 3.159 95 V HA 0.644 4.774 4.120 0.017 0.000 0.308 95 V C -1.030 175.031 176.094 -0.055 0.000 1.190 95 V CA -0.769 61.482 62.300 -0.082 0.000 1.037 95 V CB 2.758 34.479 31.823 -0.171 0.000 1.060 95 V HN 0.729 nan 8.190 nan 0.000 0.437 96 H N 0.792 119.679 119.070 -0.305 0.000 3.042 96 H HA 0.255 4.821 4.556 0.016 0.000 0.346 96 H C -0.609 174.336 175.328 -0.638 0.000 1.294 96 H CA 0.016 55.704 56.048 -0.601 0.000 1.141 96 H CB 1.919 31.198 29.762 -0.805 0.000 1.872 96 H HN 0.988 nan 8.280 nan 0.000 0.541 97 W N 1.781 122.304 121.300 -1.295 0.000 2.825 97 W HA 0.093 4.763 4.660 0.015 0.000 0.243 97 W C 0.604 176.898 176.519 -0.375 0.000 1.293 97 W CA 0.232 56.717 57.345 -1.435 0.000 1.403 97 W CB -0.603 27.564 29.460 -2.155 0.000 1.134 97 W HN 0.510 nan 8.180 nan 0.000 0.666 98 H N 0.501 119.461 119.070 -0.183 0.000 2.547 98 H HA 0.148 4.714 4.556 0.017 0.000 0.266 98 H C 0.295 175.605 175.328 -0.030 0.000 0.988 98 H CA 0.041 56.067 56.048 -0.037 0.000 1.147 98 H CB 0.144 29.861 29.762 -0.076 0.000 1.365 98 H HN 0.240 nan 8.280 nan 0.000 0.589 99 Q N 0.729 120.444 119.800 -0.141 0.000 2.431 99 Q HA 0.110 4.460 4.340 0.017 0.000 0.249 99 Q C 0.740 176.748 176.000 0.014 0.000 1.025 99 Q CA -0.315 55.258 55.803 -0.385 0.000 0.835 99 Q CB 2.050 30.248 28.738 -0.900 0.000 1.207 99 Q HN 0.144 nan 8.270 nan 0.000 0.490 100 S N 2.638 118.418 115.700 0.133 0.000 2.359 100 S HA -0.244 4.236 4.470 0.017 0.000 0.224 100 S C 1.179 175.767 174.600 -0.019 0.000 1.035 100 S CA 1.857 60.073 58.200 0.026 0.000 1.018 100 S CB 0.052 63.157 63.200 -0.158 0.000 0.876 100 S HN 0.758 nan 8.310 nan 0.000 0.448 101 H N -0.443 118.738 119.070 0.184 0.000 2.343 101 H HA 0.151 4.717 4.556 0.017 0.000 0.303 101 H C 2.242 177.690 175.328 0.200 0.000 1.068 101 H CA 1.215 57.369 56.048 0.177 0.000 1.359 101 H CB -0.651 29.213 29.762 0.170 0.000 1.402 101 H HN 0.279 nan 8.280 nan 0.000 0.515 102 V N 0.544 120.631 119.914 0.289 0.000 2.343 102 V HA -0.221 3.909 4.120 0.017 0.000 0.247 102 V C 1.903 178.159 176.094 0.271 0.000 1.051 102 V CA 1.576 64.046 62.300 0.282 0.000 1.036 102 V CB -0.327 31.586 31.823 0.149 0.000 0.654 102 V HN 0.678 nan 8.190 nan 0.000 0.451 103 W N 0.612 121.943 121.300 0.052 0.000 2.402 103 W HA -0.150 4.520 4.660 0.017 0.000 0.286 103 W C 2.626 179.186 176.519 0.069 0.000 1.221 103 W CA 1.651 59.026 57.345 0.050 0.000 1.257 103 W CB -0.173 29.318 29.460 0.051 0.000 1.120 103 W HN 0.188 nan 8.180 nan 0.000 0.551 104 R N 1.070 121.639 120.500 0.115 0.000 2.083 104 R HA -0.182 4.168 4.340 0.017 0.000 0.237 104 R C 1.723 177.978 176.300 -0.075 0.000 1.137 104 R CA 1.721 57.823 56.100 0.003 0.000 0.951 104 R CB -0.599 29.726 30.300 0.043 0.000 0.851 104 R HN 0.123 nan 8.270 nan 0.000 0.434 105 E N 0.625 120.856 120.200 0.051 0.000 2.072 105 E HA -0.140 4.220 4.350 0.017 0.000 0.191 105 E C 2.212 178.868 176.600 0.093 0.000 0.985 105 E CA 0.988 57.418 56.400 0.051 0.000 0.801 105 E CB -0.343 29.621 29.700 0.440 0.000 0.750 105 E HN 0.424 nan 8.360 nan 0.000 0.452 106 I N 1.071 121.681 120.570 0.067 0.000 2.163 106 I HA -0.277 3.904 4.170 0.017 0.000 0.243 106 I C 2.329 178.292 176.117 -0.256 0.000 1.085 106 I CA 1.464 62.687 61.300 -0.128 0.000 1.347 106 I CB -0.377 37.319 38.000 -0.507 0.000 1.044 106 I HN 0.078 nan 8.210 nan 0.000 0.408 107 T N -0.077 114.185 114.554 -0.487 0.000 2.737 107 T HA -0.195 4.165 4.350 0.017 0.000 0.265 107 T C 2.011 176.598 174.700 -0.188 0.000 1.038 107 T CA 1.230 63.101 62.100 -0.382 0.000 1.144 107 T CB -0.270 68.314 68.868 -0.473 0.000 0.866 107 T HN 0.284 nan 8.240 nan 0.000 0.434 108 R N -0.154 120.211 120.500 -0.224 0.000 2.096 108 R HA -0.091 4.259 4.340 0.017 0.000 0.235 108 R C 1.387 177.566 176.300 -0.201 0.000 1.127 108 R CA 1.323 57.273 56.100 -0.250 0.000 0.968 108 R CB -0.224 29.854 30.300 -0.370 0.000 0.861 108 R HN 0.368 nan 8.270 nan 0.000 0.440 109 Y N 1.034 121.293 120.300 -0.069 0.000 2.502 109 Y HA 0.168 4.728 4.550 0.017 0.000 0.295 109 Y C 0.147 176.035 175.900 -0.020 0.000 1.193 109 Y CA 0.025 58.091 58.100 -0.056 0.000 1.295 109 Y CB -0.089 38.338 38.460 -0.056 0.000 1.059 109 Y HN 0.004 nan 8.280 nan 0.000 0.514 110 K N -0.358 120.121 120.400 0.132 0.000 3.148 110 K HA -0.261 4.069 4.320 0.017 0.000 0.267 110 K C 0.357 176.966 176.600 0.015 0.000 0.996 110 K CA 0.819 57.197 56.287 0.151 0.000 0.737 110 K CB -1.670 30.895 32.500 0.108 0.000 1.308 110 K HN 0.439 nan 8.250 nan 0.000 0.470 111 M N -0.254 119.361 119.600 0.025 0.000 2.346 111 M HA 0.029 4.519 4.480 0.017 0.000 0.280 111 M C 1.710 177.939 176.300 -0.119 0.000 1.075 111 M CA -0.158 55.124 55.300 -0.030 0.000 0.989 111 M CB 0.167 32.832 32.600 0.109 0.000 1.447 111 M HN 0.305 nan 8.290 nan 0.000 0.511 112 H N 0.308 119.261 119.070 -0.195 0.000 2.457 112 H HA -0.068 4.498 4.556 0.017 0.000 0.297 112 H C 1.021 176.334 175.328 -0.025 0.000 1.092 112 H CA 1.547 57.455 56.048 -0.232 0.000 1.309 112 H CB -0.745 28.865 29.762 -0.253 0.000 1.382 112 H HN 0.469 nan 8.280 nan 0.000 0.535 113 N N 0.935 119.338 118.700 -0.495 0.000 2.270 113 N HA 0.148 4.898 4.740 0.017 0.000 0.198 113 N C 0.697 176.125 175.510 -0.135 0.000 1.117 113 N CA 0.486 53.369 53.050 -0.278 0.000 0.845 113 N CB 0.210 38.477 38.487 -0.367 0.000 0.980 113 N HN 0.390 nan 8.380 nan 0.000 0.486 114 A N 0.652 123.426 122.820 -0.077 0.000 2.713 114 A HA 0.442 4.772 4.320 0.017 0.000 0.296 114 A C 0.076 177.707 177.584 0.079 0.000 1.255 114 A CA -0.549 51.496 52.037 0.014 0.000 0.955 114 A CB -0.167 18.861 19.000 0.046 0.000 1.149 114 A HN 0.192 nan 8.150 nan 0.000 0.538 115 L N -0.488 120.751 121.223 0.027 0.000 2.358 115 L HA 0.693 5.043 4.340 0.017 0.000 0.268 115 L C 0.410 177.305 176.870 0.041 0.000 1.032 115 L CA -0.679 54.170 54.840 0.015 0.000 0.805 115 L CB 1.912 43.968 42.059 -0.005 0.000 1.253 115 L HN 0.191 nan 8.230 nan 0.000 0.452 116 S N 1.200 116.949 115.700 0.083 0.000 2.538 116 S HA 0.647 5.127 4.470 0.017 0.000 0.288 116 S C -2.802 171.930 174.600 0.220 0.000 1.108 116 S CA -1.409 56.859 58.200 0.115 0.000 0.971 116 S CB 2.081 65.329 63.200 0.080 0.000 1.041 116 S HN 0.275 nan 8.310 nan 0.000 0.483 117 P HA 0.328 nan 4.420 nan 0.000 0.286 117 P C 0.221 177.601 177.300 0.134 0.000 1.269 117 P CA -0.293 62.977 63.100 0.282 0.000 0.787 117 P CB 1.283 33.142 31.700 0.265 0.000 0.920 118 S N 2.015 117.755 115.700 0.067 0.000 2.368 118 S HA -0.012 4.468 4.470 0.017 0.000 0.224 118 S C 0.601 175.044 174.600 -0.262 0.000 1.029 118 S CA 1.047 59.206 58.200 -0.069 0.000 0.988 118 S CB -0.583 62.552 63.200 -0.109 0.000 0.838 118 S HN 0.411 nan 8.310 nan 0.000 0.462 119 F N 2.451 122.328 119.950 -0.122 0.000 2.410 119 F HA 0.476 5.013 4.527 0.017 0.000 0.348 119 F C 0.589 176.167 175.800 -0.370 0.000 1.106 119 F CA -0.733 57.062 58.000 -0.342 0.000 1.163 119 F CB 0.434 39.052 39.000 -0.637 0.000 1.129 119 F HN -0.009 nan 8.300 nan 0.000 0.516 120 N N 3.243 121.846 118.700 -0.162 0.000 2.549 120 N HA 0.210 4.961 4.740 0.017 0.000 0.290 120 N C -1.055 174.532 175.510 0.129 0.000 1.122 120 N CA -0.363 52.647 53.050 -0.068 0.000 0.885 120 N CB 0.535 39.055 38.487 0.055 0.000 1.455 120 N HN 0.272 nan 8.380 nan 0.000 0.521 121 F N 1.012 121.024 119.950 0.103 0.000 2.647 121 F HA 0.182 4.719 4.527 0.016 0.000 0.300 121 F C 2.167 178.031 175.800 0.106 0.000 1.106 121 F CA -0.345 57.722 58.000 0.112 0.000 1.313 121 F CB -0.413 38.644 39.000 0.095 0.000 1.007 121 F HN 0.481 nan 8.300 nan 0.000 0.536 122 S N 0.770 116.612 115.700 0.237 0.000 2.481 122 S HA 0.020 4.500 4.470 0.017 0.000 0.231 122 S C 0.799 175.482 174.600 0.139 0.000 0.996 122 S CA -0.038 58.258 58.200 0.160 0.000 0.942 122 S CB -0.163 63.105 63.200 0.112 0.000 0.768 122 S HN 0.519 nan 8.310 nan 0.000 0.520 123 R N -1.362 119.228 120.500 0.151 0.000 2.752 123 R HA 0.703 5.053 4.340 0.017 0.000 0.271 123 R C 0.310 176.683 176.300 0.122 0.000 1.026 123 R CA -0.593 55.576 56.100 0.115 0.000 0.901 123 R CB 0.384 30.738 30.300 0.090 0.000 1.243 123 R HN 0.474 nan 8.270 nan 0.000 0.463 124 G N -0.136 108.715 108.800 0.084 0.000 2.587 124 G HA2 -0.236 3.734 3.960 0.017 0.000 0.212 124 G HA3 -0.236 3.734 3.960 0.017 0.000 0.212 124 G C 0.615 175.534 174.900 0.031 0.000 1.327 124 G CA 0.109 45.250 45.100 0.067 0.000 0.898 124 G HN 1.409 nan 8.290 nan 0.000 0.551 125 V N -1.862 118.040 119.914 -0.021 0.000 2.594 125 V HA 0.050 4.180 4.120 0.017 0.000 0.253 125 V C 1.567 177.524 176.094 -0.229 0.000 1.069 125 V CA 2.372 64.559 62.300 -0.188 0.000 1.082 125 V CB -1.168 30.410 31.823 -0.408 0.000 0.680 125 V HN 2.587 nan 8.190 nan 0.000 0.469 126 N N 1.652 120.311 118.700 -0.069 0.000 2.714 126 N HA -0.225 4.525 4.740 0.017 0.000 0.252 126 N C -0.288 175.103 175.510 -0.198 0.000 1.014 126 N CA 1.374 54.416 53.050 -0.013 0.000 0.735 126 N CB -1.769 36.748 38.487 0.049 0.000 0.924 126 N HN 1.182 nan 8.380 nan 0.000 0.540 127 H N -2.283 116.655 119.070 -0.219 0.000 2.985 127 H HA 0.625 5.189 4.556 0.014 0.000 0.360 127 H C -1.370 173.692 175.328 -0.443 0.000 1.221 127 H CA -1.282 54.506 56.048 -0.433 0.000 1.121 127 H CB 0.029 29.741 29.762 -0.083 0.000 1.854 127 H HN 0.001 nan 8.280 nan 0.000 0.551 128 F N 1.710 121.459 119.950 -0.335 0.000 2.415 128 F HA 0.390 4.925 4.527 0.014 0.000 0.348 128 F C -0.282 175.390 175.800 -0.215 0.000 1.119 128 F CA -0.665 57.176 58.000 -0.265 0.000 1.069 128 F CB 1.603 40.465 39.000 -0.230 0.000 1.124 128 F HN 0.759 nan 8.300 nan 0.000 0.472 129 Q N 7.012 126.374 119.800 -0.729 0.000 2.400 129 Q HA 0.450 4.800 4.340 0.017 0.000 0.255 129 Q C -1.906 173.489 176.000 -1.009 0.000 1.008 129 Q CA -0.982 54.376 55.803 -0.742 0.000 0.841 129 Q CB 1.202 29.881 28.738 -0.098 0.000 1.220 129 Q HN 0.786 nan 8.270 nan 0.000 0.474 130 L N 4.918 125.514 121.223 -1.044 0.000 2.272 130 L HA 0.489 4.839 4.340 0.017 0.000 0.289 130 L C -1.182 175.487 176.870 -0.335 0.000 1.032 130 L CA -0.017 54.400 54.840 -0.704 0.000 0.810 130 L CB 1.032 42.745 42.059 -0.577 0.000 1.205 130 L HN 0.590 nan 8.230 nan 0.000 0.422 131 R N 3.091 123.523 120.500 -0.113 0.000 2.360 131 R HA 0.406 4.757 4.340 0.017 0.000 0.318 131 R C 0.220 176.679 176.300 0.265 0.000 0.950 131 R CA 0.143 56.292 56.100 0.081 0.000 0.837 131 R CB 1.226 31.678 30.300 0.253 0.000 1.165 131 R HN 0.763 nan 8.270 nan 0.000 0.458 132 T N -1.566 113.096 114.554 0.181 0.000 3.044 132 T HA 0.067 4.427 4.350 0.017 0.000 0.260 132 T C 0.243 175.035 174.700 0.154 0.000 1.019 132 T CA -0.209 62.020 62.100 0.215 0.000 0.921 132 T CB -0.255 68.677 68.868 0.105 0.000 1.053 132 T HN 0.674 nan 8.240 nan 0.000 0.533 133 N N -0.470 118.191 118.700 -0.066 0.000 2.494 133 N HA 0.501 5.251 4.740 0.017 0.000 0.270 133 N C -3.012 171.899 175.510 -0.999 0.000 1.285 133 N CA -1.909 50.867 53.050 -0.457 0.000 0.812 133 N CB 1.114 39.455 38.487 -0.243 0.000 1.557 133 N HN -0.314 nan 8.380 nan 0.000 0.487 134 P HA -0.038 nan 4.420 nan 0.000 0.230 134 P C 0.633 177.676 177.300 -0.429 0.000 1.158 134 P CA 1.255 63.743 63.100 -1.020 0.000 0.769 134 P CB 0.060 31.394 31.700 -0.610 0.000 0.807 135 T N -5.768 108.595 114.554 -0.318 0.000 3.015 135 T HA 0.112 4.472 4.350 0.017 0.000 0.250 135 T C 0.841 175.469 174.700 -0.119 0.000 1.057 135 T CA 0.559 62.556 62.100 -0.173 0.000 1.066 135 T CB -0.608 68.178 68.868 -0.137 0.000 0.959 135 T HN 0.156 nan 8.240 nan 0.000 0.488 136 T N -1.071 113.404 114.554 -0.132 0.000 2.831 136 T HA 0.757 5.117 4.350 0.017 0.000 0.287 136 T C -0.969 173.666 174.700 -0.108 0.000 1.070 136 T CA -0.758 61.288 62.100 -0.089 0.000 1.010 136 T CB 2.092 70.911 68.868 -0.081 0.000 1.264 136 T HN 0.070 nan 8.240 nan 0.000 0.532 137 S N -0.219 115.393 115.700 -0.147 0.000 2.546 137 S HA 0.698 5.179 4.470 0.017 0.000 0.274 137 S C -0.998 173.347 174.600 -0.425 0.000 1.121 137 S CA -0.787 57.210 58.200 -0.338 0.000 0.887 137 S CB 2.072 64.950 63.200 -0.537 0.000 1.094 137 S HN 0.902 nan 8.310 nan 0.000 0.474 138 T N 2.731 116.987 114.554 -0.497 0.000 2.794 138 T HA 0.561 4.921 4.350 0.017 0.000 0.280 138 T C -1.326 172.996 174.700 -0.631 0.000 0.987 138 T CA -0.201 61.657 62.100 -0.403 0.000 0.993 138 T CB 0.231 68.959 68.868 -0.234 0.000 0.939 138 T HN 0.416 nan 8.240 nan 0.000 0.449 139 Y N 3.384 123.546 120.300 -0.230 0.000 2.387 139 Y HA 0.728 5.290 4.550 0.019 0.000 0.336 139 Y C 0.441 176.223 175.900 -0.196 0.000 1.067 139 Y CA -1.234 56.673 58.100 -0.321 0.000 1.114 139 Y CB 1.404 39.630 38.460 -0.389 0.000 1.208 139 Y HN 0.556 nan 8.280 nan 0.000 0.458 140 M N -0.103 119.484 119.600 -0.022 0.000 2.644 140 M HA 0.597 5.087 4.480 0.017 0.000 0.273 140 M C -0.830 175.466 176.300 -0.007 0.000 1.253 140 M CA -1.039 54.273 55.300 0.021 0.000 0.852 140 M CB 2.050 34.684 32.600 0.058 0.000 1.708 140 M HN 0.579 nan 8.290 nan 0.000 0.471 141 T N -2.135 112.404 114.554 -0.026 0.000 2.802 141 T HA 0.190 4.550 4.350 0.017 0.000 0.305 141 T C 0.811 175.427 174.700 -0.141 0.000 1.053 141 T CA -0.015 62.029 62.100 -0.094 0.000 1.058 141 T CB 0.236 69.085 68.868 -0.031 0.000 0.988 141 T HN 0.724 nan 8.240 nan 0.000 0.539 142 H N -0.042 118.962 119.070 -0.110 0.000 2.457 142 H HA -0.015 4.550 4.556 0.016 0.000 0.294 142 H C 2.160 177.434 175.328 -0.090 0.000 1.064 142 H CA 1.659 57.596 56.048 -0.184 0.000 1.330 142 H CB -0.008 29.479 29.762 -0.457 0.000 1.395 142 H HN 0.907 nan 8.280 nan 0.000 0.541 143 E N 0.799 121.031 120.200 0.053 0.000 2.077 143 E HA -0.133 4.228 4.350 0.017 0.000 0.193 143 E C 2.329 178.932 176.600 0.006 0.000 0.989 143 E CA 0.921 57.343 56.400 0.035 0.000 0.800 143 E CB 0.101 29.822 29.700 0.034 0.000 0.746 143 E HN 0.377 nan 8.360 nan 0.000 0.452 144 A N 1.215 124.034 122.820 -0.001 0.000 1.930 144 A HA -0.226 4.105 4.320 0.017 0.000 0.217 144 A C 2.062 179.630 177.584 -0.027 0.000 1.175 144 A CA 1.588 53.621 52.037 -0.005 0.000 0.627 144 A CB -0.575 18.432 19.000 0.012 0.000 0.815 144 A HN 0.463 nan 8.150 nan 0.000 0.443 145 E N 0.023 120.195 120.200 -0.045 0.000 2.038 145 E HA -0.281 4.079 4.350 0.017 0.000 0.195 145 E C 1.309 177.771 176.600 -0.232 0.000 1.000 145 E CA 1.601 57.870 56.400 -0.218 0.000 0.803 145 E CB -0.222 29.247 29.700 -0.385 0.000 0.750 145 E HN 0.520 nan 8.360 nan 0.000 0.448 146 D N 0.298 120.638 120.400 -0.099 0.000 2.116 146 D HA -0.204 4.446 4.640 0.017 0.000 0.193 146 D C 1.916 178.148 176.300 -0.113 0.000 0.998 146 D CA 1.477 55.466 54.000 -0.019 0.000 0.836 146 D CB -0.338 40.498 40.800 0.060 0.000 0.951 146 D HN 0.233 nan 8.370 nan 0.000 0.449 147 E N 0.306 120.455 120.200 -0.085 0.000 2.072 147 E HA -0.121 4.239 4.350 0.017 0.000 0.191 147 E C 1.966 178.490 176.600 -0.127 0.000 0.985 147 E CA 0.411 56.761 56.400 -0.082 0.000 0.801 147 E CB -0.428 29.245 29.700 -0.045 0.000 0.750 147 E HN 0.179 nan 8.360 nan 0.000 0.452 148 L N 0.017 121.154 121.223 -0.143 0.000 1.994 148 L HA -0.135 4.216 4.340 0.017 0.000 0.208 148 L C 2.137 178.854 176.870 -0.254 0.000 1.071 148 L CA 1.653 56.404 54.840 -0.150 0.000 0.745 148 L CB -0.673 41.327 42.059 -0.100 0.000 0.892 148 L HN 0.237 nan 8.230 nan 0.000 0.431 149 L N -0.252 120.712 121.223 -0.432 0.000 2.046 149 L HA -0.198 4.152 4.340 0.017 0.000 0.208 149 L C 2.765 179.242 176.870 -0.655 0.000 1.077 149 L CA 1.709 56.132 54.840 -0.696 0.000 0.747 149 L CB -1.331 39.986 42.059 -1.237 0.000 0.896 149 L HN 0.481 nan 8.230 nan 0.000 0.432 150 R N -0.415 119.772 120.500 -0.523 0.000 2.083 150 R HA -0.194 4.156 4.340 0.017 0.000 0.237 150 R C 2.521 178.781 176.300 -0.066 0.000 1.137 150 R CA 1.988 57.974 56.100 -0.190 0.000 0.951 150 R CB -0.157 30.110 30.300 -0.056 0.000 0.851 150 R HN 0.240 nan 8.270 nan 0.000 0.434 151 S N -0.277 115.367 115.700 -0.094 0.000 2.348 151 S HA -0.140 4.340 4.470 0.017 0.000 0.221 151 S C 1.999 176.595 174.600 -0.008 0.000 1.033 151 S CA 1.448 59.631 58.200 -0.029 0.000 1.010 151 S CB -0.248 62.921 63.200 -0.050 0.000 0.891 151 S HN 0.541 nan 8.310 nan 0.000 0.442 152 A N 1.107 123.869 122.820 -0.097 0.000 1.902 152 A HA 0.082 4.412 4.320 0.017 0.000 0.217 152 A C 2.240 179.762 177.584 -0.103 0.000 1.181 152 A CA 1.400 53.368 52.037 -0.115 0.000 0.623 152 A CB -0.795 18.092 19.000 -0.187 0.000 0.818 152 A HN 0.572 nan 8.150 nan 0.000 0.443 153 L N -1.527 119.616 121.223 -0.134 0.000 2.141 153 L HA -0.153 4.197 4.340 0.017 0.000 0.209 153 L C 2.555 179.389 176.870 -0.059 0.000 1.094 153 L CA 1.451 56.228 54.840 -0.105 0.000 0.763 153 L CB -0.546 41.474 42.059 -0.065 0.000 0.908 153 L HN 0.667 nan 8.230 nan 0.000 0.437 154 H N 0.723 119.781 119.070 -0.019 0.000 2.319 154 H HA -0.187 4.379 4.556 0.017 0.000 0.299 154 H C 2.204 177.524 175.328 -0.014 0.000 1.092 154 H CA 1.913 57.976 56.048 0.026 0.000 1.302 154 H CB 0.146 29.937 29.762 0.048 0.000 1.373 154 H HN 0.106 nan 8.280 nan 0.000 0.497 155 K N -0.865 119.481 120.400 -0.090 0.000 2.057 155 K HA -0.119 4.211 4.320 0.017 0.000 0.207 155 K C 2.099 178.624 176.600 -0.124 0.000 1.049 155 K CA 1.291 57.497 56.287 -0.135 0.000 0.931 155 K CB -0.305 32.181 32.500 -0.024 0.000 0.714 155 K HN 0.202 nan 8.250 nan 0.000 0.440 156 F N 1.979 121.784 119.950 -0.242 0.000 2.102 156 F HA -0.223 4.315 4.527 0.017 0.000 0.298 156 F C 2.370 178.065 175.800 -0.175 0.000 1.105 156 F CA 1.961 59.815 58.000 -0.244 0.000 1.239 156 F CB -0.511 38.324 39.000 -0.276 0.000 0.991 156 F HN 0.066 nan 8.300 nan 0.000 0.474 157 T N -2.916 111.484 114.554 -0.257 0.000 3.057 157 T HA 0.020 4.380 4.350 0.017 0.000 0.254 157 T C 1.203 175.758 174.700 -0.242 0.000 1.094 157 T CA 0.350 62.242 62.100 -0.346 0.000 1.088 157 T CB -0.623 67.743 68.868 -0.837 0.000 0.934 157 T HN 0.094 nan 8.240 nan 0.000 0.497 158 N N 2.533 121.066 118.700 -0.277 0.000 3.115 158 N HA 0.091 4.842 4.740 0.017 0.000 0.305 158 N C 1.353 176.762 175.510 -0.170 0.000 1.305 158 N CA -0.076 52.833 53.050 -0.235 0.000 1.154 158 N CB -0.032 38.206 38.487 -0.415 0.000 1.454 158 N HN 0.480 nan 8.380 nan 0.000 0.551 159 V N -2.082 117.729 119.914 -0.171 0.000 2.970 159 V HA 0.002 4.133 4.120 0.017 0.000 0.260 159 V C 0.785 176.853 176.094 -0.043 0.000 1.100 159 V CA 1.550 63.754 62.300 -0.160 0.000 1.122 159 V CB -0.314 31.249 31.823 -0.433 0.000 0.721 159 V HN 0.361 nan 8.190 nan 0.000 0.483 160 D N -1.213 119.169 120.400 -0.030 0.000 2.527 160 D HA 0.299 4.949 4.640 0.017 0.000 0.224 160 D C 1.514 177.828 176.300 0.024 0.000 1.217 160 D CA 0.387 54.407 54.000 0.032 0.000 0.819 160 D CB 0.349 41.183 40.800 0.057 0.000 1.061 160 D HN 0.721 nan 8.370 nan 0.000 0.515 161 G N 0.787 109.590 108.800 0.005 0.000 2.205 161 G HA2 -0.310 3.660 3.960 0.017 0.000 0.261 161 G HA3 -0.310 3.660 3.960 0.017 0.000 0.261 161 G C 0.878 175.799 174.900 0.035 0.000 0.980 161 G CA 0.880 45.991 45.100 0.020 0.000 0.632 161 G HN 0.869 nan 8.290 nan 0.000 0.533 162 T N -2.517 112.055 114.554 0.029 0.000 3.393 162 T HA 0.384 4.744 4.350 0.017 0.000 0.298 162 T C 0.657 175.405 174.700 0.080 0.000 1.004 162 T CA 0.630 62.749 62.100 0.032 0.000 0.956 162 T CB -0.187 68.663 68.868 -0.030 0.000 1.182 162 T HN 0.682 nan 8.240 nan 0.000 0.497 163 N N 1.551 120.318 118.700 0.112 0.000 2.721 163 N HA -0.233 4.518 4.740 0.017 0.000 0.249 163 N C 1.165 176.890 175.510 0.358 0.000 1.072 163 N CA 1.300 54.486 53.050 0.227 0.000 0.710 163 N CB -1.592 37.186 38.487 0.486 0.000 0.993 163 N HN 1.159 nan 8.380 nan 0.000 0.547 164 G N -0.689 108.219 108.800 0.180 0.000 2.213 164 G HA2 -0.346 3.624 3.960 0.017 0.000 0.226 164 G HA3 -0.346 3.624 3.960 0.017 0.000 0.226 164 G C 0.953 175.956 174.900 0.171 0.000 0.992 164 G CA 0.453 45.694 45.100 0.235 0.000 0.632 164 G HN 0.487 nan 8.290 nan 0.000 0.511 165 R N 0.153 120.593 120.500 -0.100 0.000 2.148 165 R HA 0.042 4.392 4.340 0.017 0.000 0.227 165 R C 2.484 178.677 176.300 -0.178 0.000 1.103 165 R CA 1.752 57.602 56.100 -0.416 0.000 0.983 165 R CB -0.273 29.678 30.300 -0.582 0.000 0.874 165 R HN 0.450 nan 8.270 nan 0.000 0.451 166 T N -0.253 114.270 114.554 -0.050 0.000 2.901 166 T HA -0.024 4.336 4.350 0.017 0.000 0.252 166 T C 1.742 176.496 174.700 0.091 0.000 1.035 166 T CA 0.703 62.810 62.100 0.012 0.000 1.142 166 T CB 0.039 68.927 68.868 0.034 0.000 0.869 166 T HN 0.019 nan 8.240 nan 0.000 0.442 167 V N 0.455 120.452 119.914 0.138 0.000 2.951 167 V HA 0.310 4.441 4.120 0.017 0.000 0.255 167 V C 0.445 176.674 176.094 0.225 0.000 1.088 167 V CA 0.863 63.311 62.300 0.246 0.000 1.109 167 V CB 0.159 32.194 31.823 0.353 0.000 0.724 167 V HN 0.335 nan 8.190 nan 0.000 0.471 168 L N 1.645 122.938 121.223 0.117 0.000 2.625 168 L HA 0.493 4.843 4.340 0.017 0.000 0.255 168 L C -1.592 175.275 176.870 -0.005 0.000 1.493 168 L CA -1.015 53.814 54.840 -0.018 0.000 0.796 168 L CB 1.432 43.383 42.059 -0.180 0.000 1.064 168 L HN 0.019 nan 8.230 nan 0.000 0.516 169 P HA -0.053 nan 4.420 nan 0.000 0.219 169 P C 0.015 176.983 177.300 -0.554 0.000 1.150 169 P CA 1.020 63.897 63.100 -0.371 0.000 0.814 169 P CB 0.123 31.517 31.700 -0.511 0.000 0.787 170 F N 0.986 120.835 119.950 -0.168 0.000 2.451 170 F HA 0.364 4.902 4.527 0.017 0.000 0.367 170 F C -1.551 174.158 175.800 -0.153 0.000 1.100 170 F CA -2.640 55.247 58.000 -0.189 0.000 1.171 170 F CB 1.157 39.938 39.000 -0.363 0.000 1.405 170 F HN -0.140 nan 8.300 nan 0.000 0.482 171 P HA -0.155 nan 4.420 nan 0.000 0.222 171 P C 0.933 178.133 177.300 -0.166 0.000 1.147 171 P CA 1.501 64.423 63.100 -0.298 0.000 0.790 171 P CB 0.056 31.339 31.700 -0.695 0.000 0.780 172 H N -1.212 117.828 119.070 -0.051 0.000 2.546 172 H HA 0.048 4.614 4.556 0.017 0.000 0.277 172 H C 0.374 175.708 175.328 0.010 0.000 1.004 172 H CA 0.944 56.995 56.048 0.006 0.000 1.231 172 H CB -0.208 29.551 29.762 -0.005 0.000 1.382 172 H HN 0.092 nan 8.280 nan 0.000 0.580 173 D N 0.192 120.656 120.400 0.106 0.000 2.400 173 D HA 0.033 4.683 4.640 0.017 0.000 0.272 173 D C 1.164 177.491 176.300 0.046 0.000 1.220 173 D CA -0.338 53.719 54.000 0.095 0.000 0.897 173 D CB 0.096 40.976 40.800 0.133 0.000 1.134 173 D HN 0.269 nan 8.370 nan 0.000 0.507 174 M N -0.212 119.306 119.600 -0.137 0.000 2.296 174 M HA 0.031 4.521 4.480 0.017 0.000 0.265 174 M C 0.147 176.377 176.300 -0.117 0.000 1.064 174 M CA 1.288 56.403 55.300 -0.308 0.000 1.109 174 M CB -0.292 32.065 32.600 -0.405 0.000 1.396 174 M HN 0.014 nan 8.290 nan 0.000 0.430 175 F N -0.776 119.299 119.950 0.209 0.000 2.765 175 F HA 0.175 4.713 4.527 0.017 0.000 0.302 175 F C 1.845 177.768 175.800 0.206 0.000 1.111 175 F CA -0.615 57.511 58.000 0.210 0.000 1.359 175 F CB -1.158 37.931 39.000 0.149 0.000 1.097 175 F HN 0.127 nan 8.300 nan 0.000 0.577 176 Y N 0.530 120.973 120.300 0.238 0.000 2.151 176 Y HA -0.153 4.408 4.550 0.017 0.000 0.284 176 Y C 0.708 176.732 175.900 0.208 0.000 1.166 176 Y CA 1.087 59.311 58.100 0.208 0.000 1.163 176 Y CB 0.033 38.635 38.460 0.237 0.000 0.974 176 Y HN -0.236 nan 8.280 nan 0.000 0.511 177 V N 1.682 121.806 119.914 0.349 0.000 2.384 177 V HA 0.177 4.307 4.120 0.017 0.000 0.287 177 V C -1.598 174.671 176.094 0.291 0.000 1.020 177 V CA -1.484 60.971 62.300 0.259 0.000 0.850 177 V CB 1.398 33.396 31.823 0.291 0.000 0.987 177 V HN 0.012 nan 8.190 nan 0.000 0.436 178 P HA -0.128 nan 4.420 nan 0.000 0.218 178 P C 1.249 178.670 177.300 0.203 0.000 1.148 178 P CA 0.955 64.172 63.100 0.196 0.000 0.822 178 P CB 0.400 32.162 31.700 0.102 0.000 0.784 179 E N -2.040 118.281 120.200 0.201 0.000 2.333 179 E HA -0.158 4.202 4.350 0.017 0.000 0.198 179 E C 1.498 178.243 176.600 0.242 0.000 1.007 179 E CA 0.588 57.094 56.400 0.177 0.000 0.845 179 E CB -0.940 28.893 29.700 0.221 0.000 0.766 179 E HN 0.273 nan 8.360 nan 0.000 0.507 180 F N 0.939 121.030 119.950 0.235 0.000 2.186 180 F HA -0.068 4.469 4.527 0.017 0.000 0.299 180 F C 2.257 178.188 175.800 0.219 0.000 1.090 180 F CA 1.309 59.485 58.000 0.292 0.000 1.307 180 F CB -0.012 39.125 39.000 0.228 0.000 1.019 180 F HN -0.146 nan 8.300 nan 0.000 0.489 181 R N 1.274 121.848 120.500 0.122 0.000 2.103 181 R HA -0.269 4.081 4.340 0.017 0.000 0.242 181 R C 2.330 178.539 176.300 -0.151 0.000 1.142 181 R CA 2.323 58.447 56.100 0.039 0.000 0.960 181 R CB -0.452 29.998 30.300 0.250 0.000 0.858 181 R HN 0.482 nan 8.270 nan 0.000 0.439 182 K N -1.106 119.167 120.400 -0.211 0.000 2.209 182 K HA -0.181 4.149 4.320 0.017 0.000 0.204 182 K C 1.392 177.781 176.600 -0.351 0.000 1.048 182 K CA 1.631 57.740 56.287 -0.297 0.000 0.940 182 K CB -0.303 31.974 32.500 -0.372 0.000 0.729 182 K HN 0.243 nan 8.250 nan 0.000 0.451 183 Y N 1.676 121.872 120.300 -0.173 0.000 2.286 183 Y HA -0.050 4.510 4.550 0.017 0.000 0.293 183 Y C 2.020 177.778 175.900 -0.236 0.000 1.124 183 Y CA 1.044 59.080 58.100 -0.107 0.000 1.178 183 Y CB -0.704 37.691 38.460 -0.109 0.000 1.010 183 Y HN 0.259 nan 8.280 nan 0.000 0.536 184 D N 0.462 120.593 120.400 -0.448 0.000 2.149 184 D HA -0.187 4.464 4.640 0.017 0.000 0.198 184 D C 1.355 177.625 176.300 -0.049 0.000 0.990 184 D CA 1.472 55.318 54.000 -0.256 0.000 0.839 184 D CB -0.016 40.642 40.800 -0.235 0.000 0.948 184 D HN 0.421 nan 8.370 nan 0.000 0.460 185 E N -0.849 119.323 120.200 -0.048 0.000 2.502 185 E HA 0.020 4.380 4.350 0.017 0.000 0.194 185 E C 0.434 177.054 176.600 0.033 0.000 1.062 185 E CA -0.205 56.193 56.400 -0.002 0.000 0.867 185 E CB 0.128 29.815 29.700 -0.022 0.000 0.888 185 E HN 0.401 nan 8.360 nan 0.000 0.510 186 M N 1.408 121.062 119.600 0.090 0.000 2.318 186 M HA 0.159 4.649 4.480 0.017 0.000 0.347 186 M C -0.013 176.409 176.300 0.205 0.000 1.175 186 M CA -0.438 54.947 55.300 0.141 0.000 1.075 186 M CB 1.123 33.852 32.600 0.215 0.000 1.614 186 M HN -0.106 nan 8.290 nan 0.000 0.456 187 S N 3.474 119.268 115.700 0.157 0.000 2.652 187 S HA 0.249 4.729 4.470 0.017 0.000 0.270 187 S C 0.774 175.569 174.600 0.325 0.000 1.243 187 S CA -0.645 57.665 58.200 0.183 0.000 0.999 187 S CB 0.540 63.801 63.200 0.101 0.000 0.973 187 S HN 0.739 nan 8.310 nan 0.000 0.544 188 Y N 1.801 122.227 120.300 0.209 0.000 2.114 188 Y HA -0.181 4.379 4.550 0.017 0.000 0.282 188 Y C 3.219 179.194 175.900 0.126 0.000 1.165 188 Y CA 1.356 59.595 58.100 0.232 0.000 1.148 188 Y CB -1.599 36.944 38.460 0.139 0.000 0.972 188 Y HN 0.920 nan 8.280 nan 0.000 0.504 189 S N -0.475 115.373 115.700 0.246 0.000 2.382 189 S HA -0.197 4.283 4.470 0.017 0.000 0.228 189 S C 1.778 176.422 174.600 0.074 0.000 1.027 189 S CA 1.408 59.685 58.200 0.128 0.000 0.991 189 S CB -0.562 62.694 63.200 0.093 0.000 0.823 189 S HN 0.558 nan 8.310 nan 0.000 0.469 190 E N 0.897 121.136 120.200 0.065 0.000 2.106 190 E HA -0.106 4.254 4.350 0.017 0.000 0.192 190 E C 2.323 178.892 176.600 -0.052 0.000 0.984 190 E CA 1.038 57.445 56.400 0.012 0.000 0.806 190 E CB -0.119 29.592 29.700 0.018 0.000 0.750 190 E HN 0.391 nan 8.360 nan 0.000 0.458 191 R N 1.301 121.734 120.500 -0.111 0.000 2.066 191 R HA -0.065 4.286 4.340 0.017 0.000 0.232 191 R C 1.968 178.171 176.300 -0.161 0.000 1.131 191 R CA 1.263 57.158 56.100 -0.342 0.000 0.955 191 R CB -0.588 29.147 30.300 -0.942 0.000 0.851 191 R HN 0.150 nan 8.270 nan 0.000 0.432 192 I N 0.622 121.198 120.570 0.011 0.000 2.264 192 I HA -0.260 3.920 4.170 0.017 0.000 0.248 192 I C 1.796 177.906 176.117 -0.011 0.000 1.111 192 I CA 1.830 63.149 61.300 0.031 0.000 1.382 192 I CB -0.420 37.600 38.000 0.033 0.000 1.060 192 I HN 0.272 nan 8.210 nan 0.000 0.418 193 D N 0.586 120.977 120.400 -0.014 0.000 2.182 193 D HA -0.226 4.424 4.640 0.017 0.000 0.201 193 D C 2.187 178.468 176.300 -0.032 0.000 0.986 193 D CA 1.330 55.320 54.000 -0.017 0.000 0.847 193 D CB 0.056 40.849 40.800 -0.011 0.000 0.942 193 D HN 0.365 nan 8.370 nan 0.000 0.467 194 Q N -0.760 119.006 119.800 -0.057 0.000 2.297 194 Q HA -0.008 4.342 4.340 0.017 0.000 0.204 194 Q C 1.687 177.652 176.000 -0.058 0.000 0.962 194 Q CA 0.863 56.628 55.803 -0.063 0.000 0.879 194 Q CB 0.198 28.880 28.738 -0.094 0.000 0.947 194 Q HN 0.609 nan 8.270 nan 0.000 0.462 195 I N -3.023 117.514 120.570 -0.055 0.000 4.225 195 I HA 0.162 4.342 4.170 0.017 0.000 0.327 195 I C 1.740 177.841 176.117 -0.026 0.000 1.422 195 I CA -0.443 60.831 61.300 -0.043 0.000 1.150 195 I CB 0.187 38.155 38.000 -0.053 0.000 1.192 195 I HN -0.086 nan 8.210 nan 0.000 0.440 196 R N 0.887 121.374 120.500 -0.021 0.000 2.103 196 R HA -0.162 4.188 4.340 0.017 0.000 0.242 196 R C 0.685 176.978 176.300 -0.012 0.000 1.142 196 R CA 2.141 58.233 56.100 -0.014 0.000 0.960 196 R CB -0.994 29.301 30.300 -0.009 0.000 0.858 196 R HN 0.287 nan 8.270 nan 0.000 0.439 197 D N 0.762 121.155 120.400 -0.012 0.000 2.371 197 D HA -0.068 4.582 4.640 0.017 0.000 0.221 197 D C 0.960 177.254 176.300 -0.009 0.000 0.986 197 D CA 0.872 54.866 54.000 -0.009 0.000 0.899 197 D CB 0.077 40.872 40.800 -0.009 0.000 0.902 197 D HN 0.564 nan 8.370 nan 0.000 0.530 198 E N -0.414 119.779 120.200 -0.012 0.000 2.472 198 E HA 0.150 4.510 4.350 0.017 0.000 0.196 198 E C 0.219 176.812 176.600 -0.010 0.000 1.033 198 E CA -0.012 56.383 56.400 -0.009 0.000 0.886 198 E CB 0.759 30.453 29.700 -0.010 0.000 0.944 198 E HN 0.184 nan 8.360 nan 0.000 0.492 199 L N 1.828 123.042 121.223 -0.015 0.000 2.296 199 L HA 0.242 4.592 4.340 0.017 0.000 0.286 199 L C 0.493 177.353 176.870 -0.016 0.000 1.023 199 L CA -0.826 54.002 54.840 -0.021 0.000 0.812 199 L CB 1.606 43.646 42.059 -0.032 0.000 1.223 199 L HN -0.003 nan 8.230 nan 0.000 0.421 200 S N 2.176 117.866 115.700 -0.017 0.000 2.589 200 S HA 0.059 4.539 4.470 0.017 0.000 0.265 200 S C 0.989 175.584 174.600 -0.009 0.000 1.342 200 S CA -0.559 57.633 58.200 -0.012 0.000 1.005 200 S CB 0.884 64.076 63.200 -0.013 0.000 0.909 200 S HN 0.596 nan 8.310 nan 0.000 0.555 201 L N 1.419 122.642 121.223 -0.000 0.000 2.042 201 L HA -0.115 4.236 4.340 0.017 0.000 0.210 201 L C 1.973 178.853 176.870 0.015 0.000 1.076 201 L CA 2.008 56.856 54.840 0.013 0.000 0.749 201 L CB -1.312 40.756 42.059 0.015 0.000 0.893 201 L HN 0.733 nan 8.230 nan 0.000 0.432 202 N N -0.127 118.576 118.700 0.005 0.000 2.142 202 N HA -0.161 4.589 4.740 0.017 0.000 0.186 202 N C 1.762 177.266 175.510 -0.009 0.000 1.023 202 N CA 1.529 54.584 53.050 0.009 0.000 0.852 202 N CB -0.186 38.304 38.487 0.006 0.000 0.998 202 N HN 0.539 nan 8.380 nan 0.000 0.424 203 E N 0.484 120.665 120.200 -0.031 0.000 2.031 203 E HA -0.146 4.214 4.350 0.017 0.000 0.193 203 E C 2.075 178.619 176.600 -0.094 0.000 0.994 203 E CA 0.801 57.162 56.400 -0.066 0.000 0.800 203 E CB -0.025 29.640 29.700 -0.058 0.000 0.752 203 E HN 0.254 nan 8.360 nan 0.000 0.447 204 R N 0.491 120.950 120.500 -0.068 0.000 2.092 204 R HA -0.090 4.260 4.340 0.017 0.000 0.231 204 R C 2.369 178.605 176.300 -0.106 0.000 1.119 204 R CA 1.509 57.557 56.100 -0.087 0.000 0.970 204 R CB 0.020 30.300 30.300 -0.034 0.000 0.864 204 R HN -0.003 nan 8.270 nan 0.000 0.440 205 S N 0.183 115.866 115.700 -0.029 0.000 2.356 205 S HA -0.155 4.326 4.470 0.017 0.000 0.223 205 S C 1.973 176.472 174.600 -0.168 0.000 1.032 205 S CA 1.575 59.778 58.200 0.005 0.000 1.005 205 S CB -0.193 63.097 63.200 0.148 0.000 0.867 205 S HN 0.614 nan 8.310 nan 0.000 0.449 206 S N 1.952 117.605 115.700 -0.079 0.000 2.383 206 S HA -0.037 4.443 4.470 0.017 0.000 0.227 206 S C 1.863 176.370 174.600 -0.156 0.000 1.026 206 S CA 0.935 59.102 58.200 -0.055 0.000 0.981 206 S CB -0.649 62.549 63.200 -0.004 0.000 0.818 206 S HN 0.310 nan 8.310 nan 0.000 0.472 207 L N 2.027 123.101 121.223 -0.248 0.000 1.994 207 L HA -0.031 4.320 4.340 0.017 0.000 0.208 207 L C 2.457 179.036 176.870 -0.485 0.000 1.071 207 L CA 2.052 56.667 54.840 -0.374 0.000 0.745 207 L CB -0.980 40.826 42.059 -0.422 0.000 0.892 207 L HN 0.326 nan 8.230 nan 0.000 0.431 208 E N -0.349 119.536 120.200 -0.525 0.000 2.077 208 E HA -0.233 4.127 4.350 0.017 0.000 0.193 208 E C 2.164 178.377 176.600 -0.645 0.000 0.989 208 E CA 1.130 57.167 56.400 -0.605 0.000 0.800 208 E CB -0.366 29.015 29.700 -0.532 0.000 0.746 208 E HN 0.676 nan 8.360 nan 0.000 0.452 209 A N 1.181 123.549 122.820 -0.752 0.000 1.873 209 A HA -0.231 4.099 4.320 0.017 0.000 0.218 209 A C 2.013 179.520 177.584 -0.129 0.000 1.193 209 A CA 1.445 53.261 52.037 -0.369 0.000 0.629 209 A CB -0.861 18.058 19.000 -0.134 0.000 0.826 209 A HN 0.331 nan 8.150 nan 0.000 0.447 210 F N 1.301 121.116 119.950 -0.226 0.000 2.102 210 F HA -0.162 4.375 4.527 0.017 0.000 0.298 210 F C 2.138 177.746 175.800 -0.319 0.000 1.105 210 F CA 1.962 59.833 58.000 -0.214 0.000 1.239 210 F CB -0.230 38.692 39.000 -0.129 0.000 0.991 210 F HN 0.364 nan 8.300 nan 0.000 0.474 211 I N -1.505 118.815 120.570 -0.417 0.000 2.394 211 I HA -0.200 3.980 4.170 0.017 0.000 0.251 211 I C 1.874 177.788 176.117 -0.337 0.000 1.136 211 I CA 1.468 62.356 61.300 -0.687 0.000 1.425 211 I CB -0.808 36.319 38.000 -1.455 0.000 1.079 211 I HN 0.172 nan 8.210 nan 0.000 0.425 212 L N 0.365 121.448 121.223 -0.234 0.000 2.240 212 L HA -0.078 4.272 4.340 0.017 0.000 0.211 212 L C 2.560 179.354 176.870 -0.126 0.000 1.106 212 L CA 0.540 55.331 54.840 -0.082 0.000 0.793 212 L CB -0.438 41.619 42.059 -0.002 0.000 0.927 212 L HN 0.336 nan 8.230 nan 0.000 0.446 213 L N -0.191 120.895 121.223 -0.229 0.000 2.012 213 L HA -0.255 4.096 4.340 0.017 0.000 0.210 213 L C 2.478 179.224 176.870 -0.205 0.000 1.073 213 L CA 1.986 56.654 54.840 -0.286 0.000 0.748 213 L CB -0.668 40.974 42.059 -0.695 0.000 0.891 213 L HN 0.228 nan 8.230 nan 0.000 0.431 214 C N -0.668 118.406 119.300 -0.376 0.000 2.440 214 C HA -0.064 4.407 4.460 0.017 0.000 0.278 214 C C 3.117 177.837 174.990 -0.449 0.000 1.295 214 C CA 1.000 59.764 59.018 -0.424 0.000 1.738 214 C CB -1.231 26.196 27.740 -0.521 0.000 1.987 214 C HN 0.822 nan 8.230 nan 0.000 0.492 215 S N -0.073 115.213 115.700 -0.691 0.000 2.458 215 S HA 0.235 4.715 4.470 0.017 0.000 0.223 215 S C 1.744 176.096 174.600 -0.412 0.000 1.019 215 S CA 1.312 58.806 58.200 -1.177 0.000 0.937 215 S CB -0.517 61.910 63.200 -1.289 0.000 0.788 215 S HN 1.048 nan 8.310 nan 0.000 0.511 216 G N 0.730 109.423 108.800 -0.179 0.000 2.186 216 G HA2 -0.160 3.810 3.960 0.017 0.000 0.266 216 G HA3 -0.160 3.810 3.960 0.017 0.000 0.266 216 G C 0.536 175.357 174.900 -0.132 0.000 0.982 216 G CA 0.565 45.569 45.100 -0.159 0.000 0.670 216 G HN 1.098 nan 8.290 nan 0.000 0.533 217 G N -1.217 107.487 108.800 -0.160 0.000 3.099 217 G HA2 0.818 4.788 3.960 0.017 0.000 0.151 217 G HA3 0.818 4.788 3.960 0.017 0.000 0.151 217 G C 0.293 175.154 174.900 -0.066 0.000 1.265 217 G CA 0.880 45.906 45.100 -0.125 0.000 0.981 217 G HN 1.340 nan 8.290 nan 0.000 0.601 218 T N -2.042 112.472 114.554 -0.068 0.000 2.940 218 T HA 0.478 4.838 4.350 0.017 0.000 0.288 218 T C 1.349 176.052 174.700 0.005 0.000 1.045 218 T CA -0.712 61.383 62.100 -0.008 0.000 1.018 218 T CB 1.521 70.385 68.868 -0.007 0.000 1.151 218 T HN 0.151 nan 8.240 nan 0.000 0.529 219 L N 0.090 121.365 121.223 0.087 0.000 2.131 219 L HA -0.035 4.315 4.340 0.017 0.000 0.210 219 L C 2.529 179.458 176.870 0.099 0.000 1.092 219 L CA 1.374 56.310 54.840 0.161 0.000 0.759 219 L CB -0.524 41.630 42.059 0.158 0.000 0.903 219 L HN 0.692 nan 8.230 nan 0.000 0.435 220 E N 0.031 120.257 120.200 0.044 0.000 2.230 220 E HA -0.117 4.243 4.350 0.017 0.000 0.192 220 E C 1.503 178.100 176.600 -0.005 0.000 0.987 220 E CA 0.788 57.205 56.400 0.027 0.000 0.841 220 E CB -0.153 29.558 29.700 0.019 0.000 0.783 220 E HN 0.534 nan 8.360 nan 0.000 0.481 221 N N -0.771 117.905 118.700 -0.041 0.000 2.236 221 N HA 0.043 4.793 4.740 0.017 0.000 0.196 221 N C -0.532 174.922 175.510 -0.094 0.000 1.114 221 N CA -0.068 52.950 53.050 -0.054 0.000 0.859 221 N CB 0.459 38.916 38.487 -0.050 0.000 0.982 221 N HN -0.219 nan 8.380 nan 0.000 0.493 222 S N 0.090 115.665 115.700 -0.209 0.000 2.442 222 S HA 0.269 4.749 4.470 0.017 0.000 0.297 222 S C -0.381 174.055 174.600 -0.274 0.000 1.131 222 S CA -0.811 57.165 58.200 -0.373 0.000 1.092 222 S CB 1.332 63.901 63.200 -1.051 0.000 0.998 222 S HN 0.304 nan 8.310 nan 0.000 0.478 223 S N 2.837 118.545 115.700 0.013 0.000 2.465 223 S HA 0.112 4.592 4.470 0.017 0.000 0.280 223 S C 0.943 175.757 174.600 0.357 0.000 1.232 223 S CA -0.599 57.675 58.200 0.125 0.000 1.066 223 S CB -0.336 62.886 63.200 0.036 0.000 0.929 223 S HN 0.618 nan 8.310 nan 0.000 0.494 224 F N 5.797 125.948 119.950 0.334 0.000 2.095 224 F HA 0.039 4.576 4.527 0.016 0.000 0.298 224 F C 2.056 178.077 175.800 0.368 0.000 1.104 224 F CA 2.157 60.437 58.000 0.468 0.000 1.232 224 F CB -1.014 38.130 39.000 0.241 0.000 0.987 224 F HN 0.686 nan 8.300 nan 0.000 0.475 225 G N -0.654 108.126 108.800 -0.033 0.000 2.442 225 G HA2 -0.333 3.637 3.960 0.017 0.000 0.219 225 G HA3 -0.333 3.637 3.960 0.017 0.000 0.219 225 G C 1.479 176.480 174.900 0.169 0.000 1.141 225 G CA 0.998 46.023 45.100 -0.125 0.000 0.763 225 G HN 0.438 nan 8.290 nan 0.000 0.554 226 E N -0.109 120.158 120.200 0.111 0.000 2.106 226 E HA -0.097 4.263 4.350 0.017 0.000 0.192 226 E C 1.945 178.638 176.600 0.154 0.000 0.984 226 E CA 0.667 57.068 56.400 0.002 0.000 0.806 226 E CB -0.453 28.916 29.700 -0.551 0.000 0.750 226 E HN 0.379 nan 8.360 nan 0.000 0.458 227 F N 0.046 120.153 119.950 0.262 0.000 2.134 227 F HA -0.145 4.391 4.527 0.016 0.000 0.299 227 F C 1.849 177.796 175.800 0.244 0.000 1.097 227 F CA 1.026 59.218 58.000 0.321 0.000 1.264 227 F CB -0.328 38.962 39.000 0.484 0.000 1.001 227 F HN 0.138 nan 8.300 nan 0.000 0.479 228 L N 0.341 121.586 121.223 0.037 0.000 2.127 228 L HA -0.266 4.085 4.340 0.017 0.000 0.211 228 L C 2.638 179.534 176.870 0.044 0.000 1.089 228 L CA 1.950 56.758 54.840 -0.054 0.000 0.757 228 L CB -1.350 40.592 42.059 -0.195 0.000 0.899 228 L HN 0.344 nan 8.230 nan 0.000 0.434 229 H N -2.052 117.038 119.070 0.032 0.000 2.293 229 H HA -0.235 4.331 4.556 0.017 0.000 0.300 229 H C 2.029 177.317 175.328 -0.065 0.000 1.082 229 H CA 2.429 58.448 56.048 -0.047 0.000 1.308 229 H CB -0.138 29.649 29.762 0.042 0.000 1.375 229 H HN 0.345 nan 8.280 nan 0.000 0.495 230 W N 0.993 122.220 121.300 -0.121 0.000 2.317 230 W HA -0.238 4.431 4.660 0.016 0.000 0.318 230 W C 2.839 179.131 176.519 -0.378 0.000 1.227 230 W CA 1.027 58.258 57.345 -0.189 0.000 1.269 230 W CB -1.444 28.035 29.460 0.030 0.000 1.155 230 W HN 0.413 nan 8.180 nan 0.000 0.484 231 W N 0.950 122.027 121.300 -0.372 0.000 2.318 231 W HA -0.293 4.376 4.660 0.016 0.000 0.313 231 W C 2.074 178.235 176.519 -0.597 0.000 1.221 231 W CA 3.001 60.095 57.345 -0.419 0.000 1.266 231 W CB -0.916 28.310 29.460 -0.390 0.000 1.150 231 W HN -0.077 nan 8.180 nan 0.000 0.496 232 A N 0.693 123.120 122.820 -0.655 0.000 1.877 232 A HA -0.252 4.079 4.320 0.017 0.000 0.216 232 A C 1.977 178.842 177.584 -1.199 0.000 1.186 232 A CA 2.202 53.400 52.037 -1.398 0.000 0.620 232 A CB -1.055 17.407 19.000 -0.895 0.000 0.822 232 A HN 0.269 nan 8.150 nan 0.000 0.443 233 M N 0.228 119.200 119.600 -1.047 0.000 2.149 233 M HA -0.085 4.406 4.480 0.017 0.000 0.261 233 M C 1.998 177.775 176.300 -0.873 0.000 1.064 233 M CA 1.542 56.102 55.300 -1.233 0.000 1.102 233 M CB -1.517 29.854 32.600 -2.049 0.000 1.369 233 M HN 0.370 nan 8.290 nan 0.000 0.408 234 S N -0.648 114.664 115.700 -0.647 0.000 2.561 234 S HA 0.226 4.706 4.470 0.017 0.000 0.225 234 S C 1.399 175.771 174.600 -0.380 0.000 0.977 234 S CA 0.765 58.784 58.200 -0.302 0.000 0.926 234 S CB 0.030 63.083 63.200 -0.245 0.000 0.769 234 S HN 0.752 nan 8.310 nan 0.000 0.533 235 G N 0.455 108.941 108.800 -0.524 0.000 2.148 235 G HA2 -0.254 3.716 3.960 0.017 0.000 0.203 235 G HA3 -0.254 3.716 3.960 0.017 0.000 0.203 235 G C 0.184 174.912 174.900 -0.287 0.000 0.993 235 G CA -0.329 44.577 45.100 -0.325 0.000 0.661 235 G HN 0.421 nan 8.290 nan 0.000 0.518 236 Y N -1.121 118.717 120.300 -0.771 0.000 3.929 236 Y HA -0.249 4.311 4.550 0.016 0.000 0.225 236 Y C 1.199 176.439 175.900 -1.099 0.000 1.200 236 Y CA 2.087 59.547 58.100 -1.067 0.000 1.791 236 Y CB -2.336 35.941 38.460 -0.307 0.000 1.561 236 Y HN 1.320 nan 8.280 nan 0.000 0.657 237 T N -5.532 108.324 114.554 -1.162 0.000 2.883 237 T HA 0.443 4.803 4.350 0.017 0.000 0.301 237 T C 0.199 174.515 174.700 -0.641 0.000 1.158 237 T CA -0.447 61.242 62.100 -0.685 0.000 1.007 237 T CB 1.427 70.146 68.868 -0.249 0.000 1.186 237 T HN 0.038 nan 8.240 nan 0.000 0.499 238 Y N 1.367 121.538 120.300 -0.215 0.000 2.181 238 Y HA -0.064 4.495 4.550 0.015 0.000 0.288 238 Y C 2.598 178.409 175.900 -0.147 0.000 1.146 238 Y CA 2.122 60.190 58.100 -0.053 0.000 1.164 238 Y CB -0.314 38.150 38.460 0.008 0.000 0.982 238 Y HN 0.756 nan 8.280 nan 0.000 0.515 239 Q N 0.214 119.841 119.800 -0.288 0.000 2.119 239 Q HA -0.028 4.322 4.340 0.017 0.000 0.201 239 Q C 2.487 178.265 176.000 -0.371 0.000 0.972 239 Q CA 1.899 57.475 55.803 -0.379 0.000 0.847 239 Q CB -1.040 27.573 28.738 -0.208 0.000 0.903 239 Q HN 0.553 nan 8.270 nan 0.000 0.433 240 G N -0.408 108.195 108.800 -0.328 0.000 2.446 240 G HA2 -0.301 3.669 3.960 0.017 0.000 0.217 240 G HA3 -0.301 3.669 3.960 0.017 0.000 0.217 240 G C 1.618 176.307 174.900 -0.352 0.000 1.168 240 G CA 1.066 45.963 45.100 -0.338 0.000 0.771 240 G HN 0.491 nan 8.290 nan 0.000 0.551 241 C N 0.475 119.592 119.300 -0.305 0.000 2.413 241 C HA -0.055 4.415 4.460 0.017 0.000 0.277 241 C C 3.013 177.887 174.990 -0.194 0.000 1.228 241 C CA 1.162 60.103 59.018 -0.128 0.000 1.731 241 C CB -0.684 27.144 27.740 0.146 0.000 2.042 241 C HN 0.389 nan 8.230 nan 0.000 0.468 242 M N 0.700 120.085 119.600 -0.358 0.000 2.108 242 M HA -0.116 4.374 4.480 0.017 0.000 0.261 242 M C 1.659 177.714 176.300 -0.409 0.000 1.066 242 M CA 1.700 56.769 55.300 -0.385 0.000 1.107 242 M CB -1.688 30.558 32.600 -0.590 0.000 1.356 242 M HN 0.366 nan 8.290 nan 0.000 0.406 243 D N -0.123 119.996 120.400 -0.470 0.000 2.104 243 D HA -0.132 4.518 4.640 0.017 0.000 0.194 243 D C 2.165 178.063 176.300 -0.670 0.000 0.994 243 D CA 1.294 54.950 54.000 -0.575 0.000 0.830 243 D CB -0.288 40.127 40.800 -0.642 0.000 0.959 243 D HN 0.365 nan 8.370 nan 0.000 0.452 244 C N -0.258 118.660 119.300 -0.636 0.000 2.485 244 C HA 0.132 4.602 4.460 0.017 0.000 0.278 244 C C 2.649 177.418 174.990 -0.368 0.000 1.356 244 C CA 0.016 58.677 59.018 -0.595 0.000 1.747 244 C CB -0.699 26.744 27.740 -0.496 0.000 2.001 244 C HN 0.326 nan 8.230 nan 0.000 0.501 245 L N -1.107 119.956 121.223 -0.266 0.000 2.408 245 L HA 0.232 4.582 4.340 0.017 0.000 0.215 245 L C 1.830 178.477 176.870 -0.371 0.000 1.081 245 L CA 0.933 55.675 54.840 -0.164 0.000 0.840 245 L CB -0.122 41.895 42.059 -0.069 0.000 1.002 245 L HN 0.266 nan 8.230 nan 0.000 0.468 246 M N -1.929 117.291 119.600 -0.634 0.000 3.401 246 M HA 0.155 4.645 4.480 0.017 0.000 0.488 246 M C 0.453 176.099 176.300 -1.090 0.000 1.561 246 M CA 0.071 54.526 55.300 -1.408 0.000 0.745 246 M CB 0.740 32.760 32.600 -0.966 0.000 1.531 246 M HN -0.090 nan 8.290 nan 0.000 0.548 247 S N -0.357 114.934 115.700 -0.683 0.000 2.506 247 S HA 0.241 4.722 4.470 0.017 0.000 0.230 247 S C -0.576 173.725 174.600 -0.499 0.000 1.066 247 S CA 0.543 58.349 58.200 -0.656 0.000 0.940 247 S CB 0.449 63.003 63.200 -1.076 0.000 0.818 247 S HN 0.428 nan 8.310 nan 0.000 0.518 248 Y N 2.500 122.917 120.300 0.195 0.000 2.361 248 Y HA 0.557 5.116 4.550 0.016 0.000 0.337 248 Y C -0.096 175.888 175.900 0.141 0.000 0.965 248 Y CA -1.678 56.513 58.100 0.151 0.000 1.091 248 Y CB 1.037 39.511 38.460 0.023 0.000 1.182 248 Y HN 0.042 nan 8.280 nan 0.000 0.450 249 K N 0.744 121.241 120.400 0.162 0.000 2.395 249 K HA 0.706 5.036 4.320 0.017 0.000 0.245 249 K C -1.469 175.032 176.600 -0.164 0.000 1.017 249 K CA -0.917 55.293 56.287 -0.127 0.000 0.852 249 K CB 1.557 33.942 32.500 -0.193 0.000 1.311 249 K HN 0.253 nan 8.250 nan 0.000 0.452 250 F N 2.214 122.129 119.950 -0.057 0.000 2.504 250 F HA 0.179 4.717 4.527 0.018 0.000 0.369 250 F C 1.570 177.324 175.800 -0.078 0.000 1.082 250 F CA -0.163 57.801 58.000 -0.060 0.000 1.216 250 F CB 0.971 39.934 39.000 -0.062 0.000 1.108 250 F HN 0.586 nan 8.300 nan 0.000 0.554 251 K N 1.134 121.612 120.400 0.131 0.000 2.074 251 K HA -0.189 4.141 4.320 0.017 0.000 0.209 251 K C 0.622 177.214 176.600 -0.013 0.000 1.048 251 K CA 1.755 58.061 56.287 0.032 0.000 0.926 251 K CB -0.003 32.515 32.500 0.031 0.000 0.713 251 K HN 0.585 nan 8.250 nan 0.000 0.444 252 D N -0.442 119.975 120.400 0.028 0.000 2.340 252 D HA 0.127 4.777 4.640 0.017 0.000 0.217 252 D C 0.413 176.690 176.300 -0.039 0.000 1.081 252 D CA 0.438 54.421 54.000 -0.028 0.000 0.842 252 D CB 0.602 41.385 40.800 -0.029 0.000 0.934 252 D HN 0.316 nan 8.370 nan 0.000 0.511 253 G N 1.341 110.144 108.800 0.006 0.000 2.733 253 G HA2 -0.251 3.719 3.960 0.017 0.000 0.686 253 G HA3 -0.251 3.719 3.960 0.017 0.000 0.686 253 G C 0.598 175.539 174.900 0.069 0.000 1.373 253 G CA -0.620 44.486 45.100 0.010 0.000 0.838 253 G HN -0.029 nan 8.290 nan 0.000 0.588 254 Q N 0.044 119.945 119.800 0.169 0.000 2.181 254 Q HA -0.101 4.249 4.340 0.017 0.000 0.205 254 Q C 2.961 179.090 176.000 0.215 0.000 0.980 254 Q CA 1.951 57.924 55.803 0.282 0.000 0.862 254 Q CB -0.344 28.631 28.738 0.396 0.000 0.905 254 Q HN 0.637 nan 8.270 nan 0.000 0.429 255 S N 0.781 116.559 115.700 0.130 0.000 2.399 255 S HA -0.109 4.371 4.470 0.017 0.000 0.231 255 S C 1.951 176.561 174.600 0.016 0.000 1.022 255 S CA 0.888 59.135 58.200 0.079 0.000 0.983 255 S CB -0.113 63.131 63.200 0.073 0.000 0.803 255 S HN 0.502 nan 8.310 nan 0.000 0.480 256 A N 0.767 123.574 122.820 -0.022 0.000 1.930 256 A HA -0.041 4.289 4.320 0.017 0.000 0.217 256 A C 1.840 179.385 177.584 -0.066 0.000 1.175 256 A CA 1.143 53.140 52.037 -0.067 0.000 0.627 256 A CB -0.680 18.263 19.000 -0.095 0.000 0.815 256 A HN 0.494 nan 8.150 nan 0.000 0.443 257 F N 1.061 120.822 119.950 -0.316 0.000 2.084 257 F HA 0.011 4.549 4.527 0.018 0.000 0.296 257 F C 2.546 178.455 175.800 0.181 0.000 1.111 257 F CA 0.877 58.718 58.000 -0.265 0.000 1.224 257 F CB -0.829 37.803 39.000 -0.614 0.000 0.991 257 F HN 0.241 nan 8.300 nan 0.000 0.471 258 A N 0.905 123.844 122.820 0.198 0.000 1.917 258 A HA -0.220 4.111 4.320 0.017 0.000 0.219 258 A C 2.292 179.928 177.584 0.087 0.000 1.182 258 A CA 1.624 53.720 52.037 0.099 0.000 0.633 258 A CB -0.669 18.244 19.000 -0.145 0.000 0.819 258 A HN 0.322 nan 8.150 nan 0.000 0.448 259 R N -0.404 120.101 120.500 0.008 0.000 2.127 259 R HA -0.087 4.263 4.340 0.017 0.000 0.238 259 R C 2.106 178.391 176.300 -0.025 0.000 1.134 259 R CA 1.123 57.229 56.100 0.010 0.000 0.975 259 R CB -0.669 29.608 30.300 -0.038 0.000 0.865 259 R HN 0.498 nan 8.270 nan 0.000 0.447 260 R N -0.158 120.206 120.500 -0.226 0.000 2.081 260 R HA -0.057 4.293 4.340 0.017 0.000 0.235 260 R C 2.367 178.298 176.300 -0.616 0.000 1.131 260 R CA 1.168 56.880 56.100 -0.646 0.000 0.960 260 R CB -0.946 28.569 30.300 -1.309 0.000 0.856 260 R HN 0.265 nan 8.270 nan 0.000 0.436 261 F N -0.283 119.463 119.950 -0.340 0.000 2.102 261 F HA -0.207 4.329 4.527 0.017 0.000 0.298 261 F C 2.585 178.401 175.800 0.027 0.000 1.105 261 F CA 1.065 59.049 58.000 -0.027 0.000 1.239 261 F CB -0.584 38.437 39.000 0.034 0.000 0.991 261 F HN 0.162 nan 8.300 nan 0.000 0.474 262 W N 1.722 123.054 121.300 0.052 0.000 2.333 262 W HA -0.222 4.448 4.660 0.017 0.000 0.316 262 W C 1.993 178.485 176.519 -0.044 0.000 1.215 262 W CA 2.141 59.472 57.345 -0.023 0.000 1.278 262 W CB -0.396 29.012 29.460 -0.086 0.000 1.154 262 W HN 0.139 nan 8.180 nan 0.000 0.486 263 E N 0.030 120.228 120.200 -0.004 0.000 2.110 263 E HA -0.286 4.074 4.350 0.017 0.000 0.193 263 E C 2.017 178.540 176.600 -0.127 0.000 0.988 263 E CA 1.654 57.995 56.400 -0.098 0.000 0.804 263 E CB -0.445 29.225 29.700 -0.050 0.000 0.745 263 E HN 0.386 nan 8.360 nan 0.000 0.458 264 E N 0.592 120.739 120.200 -0.088 0.000 2.072 264 E HA -0.197 4.163 4.350 0.017 0.000 0.191 264 E C 2.027 178.591 176.600 -0.060 0.000 0.985 264 E CA 1.017 57.398 56.400 -0.033 0.000 0.801 264 E CB -0.057 29.682 29.700 0.065 0.000 0.750 264 E HN 0.227 nan 8.360 nan 0.000 0.452 265 A N 1.218 123.979 122.820 -0.098 0.000 1.877 265 A HA -0.093 4.237 4.320 0.017 0.000 0.216 265 A C 2.424 179.874 177.584 -0.223 0.000 1.186 265 A CA 1.841 53.795 52.037 -0.139 0.000 0.620 265 A CB -0.881 18.019 19.000 -0.166 0.000 0.822 265 A HN 0.423 nan 8.150 nan 0.000 0.443 266 A N -0.524 122.061 122.820 -0.391 0.000 1.933 266 A HA 0.114 4.444 4.320 0.017 0.000 0.218 266 A C 2.340 179.835 177.584 -0.149 0.000 1.175 266 A CA 1.833 53.665 52.037 -0.342 0.000 0.628 266 A CB -1.330 17.377 19.000 -0.489 0.000 0.814 266 A HN 0.814 nan 8.150 nan 0.000 0.444 267 G N -0.680 108.048 108.800 -0.120 0.000 2.559 267 G HA2 -0.087 3.883 3.960 0.017 0.000 0.216 267 G HA3 -0.087 3.883 3.960 0.017 0.000 0.216 267 G C 1.522 176.400 174.900 -0.036 0.000 1.126 267 G CA 1.705 46.769 45.100 -0.060 0.000 0.778 267 G HN 0.694 nan 8.290 nan 0.000 0.543 268 T N -2.715 111.817 114.554 -0.037 0.000 2.995 268 T HA 0.278 4.638 4.350 0.017 0.000 0.269 268 T C 2.102 176.799 174.700 -0.005 0.000 1.091 268 T CA 1.070 63.161 62.100 -0.014 0.000 1.128 268 T CB -0.178 68.689 68.868 -0.003 0.000 0.891 268 T HN 1.251 nan 8.240 nan 0.000 0.492 269 G N 1.659 110.456 108.800 -0.006 0.000 2.162 269 G HA2 -0.294 3.676 3.960 0.017 0.000 0.260 269 G HA3 -0.294 3.676 3.960 0.017 0.000 0.260 269 G C 0.831 175.753 174.900 0.037 0.000 0.976 269 G CA 0.313 45.420 45.100 0.012 0.000 0.655 269 G HN 0.585 nan 8.290 nan 0.000 0.533 270 R N -1.079 119.449 120.500 0.046 0.000 2.509 270 R HA 0.375 4.725 4.340 0.017 0.000 0.300 270 R C 0.297 176.687 176.300 0.151 0.000 0.985 270 R CA -0.344 55.814 56.100 0.097 0.000 1.092 270 R CB 0.495 30.845 30.300 0.084 0.000 1.237 270 R HN 0.329 nan 8.270 nan 0.000 0.546 271 L N 0.787 122.068 121.223 0.096 0.000 2.272 271 L HA 0.515 4.865 4.340 0.017 0.000 0.289 271 L C -0.105 176.856 176.870 0.153 0.000 1.032 271 L CA -0.257 54.627 54.840 0.072 0.000 0.810 271 L CB 1.395 43.400 42.059 -0.089 0.000 1.205 271 L HN 0.008 nan 8.230 nan 0.000 0.422 272 G N 4.144 113.003 108.800 0.100 0.000 2.400 272 G HA2 0.577 4.547 3.960 0.017 0.000 0.333 272 G HA3 0.577 4.547 3.960 0.017 0.000 0.333 272 G C -1.774 173.071 174.900 -0.091 0.000 1.143 272 G CA -0.353 44.732 45.100 -0.026 0.000 0.914 272 G HN 0.760 nan 8.290 nan 0.000 0.480 273 Y N -1.361 118.878 120.300 -0.102 0.000 2.581 273 Y HA 0.693 5.253 4.550 0.017 0.000 0.337 273 Y C -1.310 174.541 175.900 -0.081 0.000 1.108 273 Y CA -1.652 56.386 58.100 -0.102 0.000 1.033 273 Y CB 1.556 40.142 38.460 0.211 0.000 1.318 273 Y HN 0.469 nan 8.280 nan 0.000 0.459 274 V N 3.656 123.517 119.914 -0.088 0.000 2.524 274 V HA 0.446 4.576 4.120 0.017 0.000 0.297 274 V C -0.905 175.073 176.094 -0.194 0.000 1.035 274 V CA -0.773 61.487 62.300 -0.067 0.000 0.867 274 V CB 1.081 32.807 31.823 -0.160 0.000 1.004 274 V HN 0.759 nan 8.190 nan 0.000 0.426 275 F N 1.494 121.467 119.950 0.039 0.000 2.411 275 F HA 0.690 5.228 4.527 0.017 0.000 0.324 275 F C 1.448 177.208 175.800 -0.068 0.000 1.086 275 F CA 0.518 58.483 58.000 -0.058 0.000 1.028 275 F CB 1.407 40.356 39.000 -0.084 0.000 1.284 275 F HN 0.745 nan 8.300 nan 0.000 0.501 276 G N 0.279 109.126 108.800 0.078 0.000 2.249 276 G HA2 -0.301 3.669 3.960 0.017 0.000 0.273 276 G HA3 -0.301 3.669 3.960 0.017 0.000 0.273 276 G C -0.318 174.572 174.900 -0.016 0.000 1.036 276 G CA 0.162 45.272 45.100 0.016 0.000 0.824 276 G HN 0.884 nan 8.290 nan 0.000 0.504 277 C N 2.220 121.465 119.300 -0.091 0.000 3.169 277 C HA 0.600 5.070 4.460 0.017 0.000 0.232 277 C C -1.767 173.144 174.990 -0.133 0.000 1.316 277 C CA -2.178 56.792 59.018 -0.079 0.000 1.545 277 C CB 0.135 27.808 27.740 -0.112 0.000 1.785 277 C HN 0.425 nan 8.230 nan 0.000 0.454 278 P HA 0.161 nan 4.420 nan 0.000 0.271 278 P C -0.195 177.103 177.300 -0.004 0.000 1.220 278 P CA 0.489 63.537 63.100 -0.087 0.000 0.768 278 P CB 1.063 32.817 31.700 0.090 0.000 0.848 279 V N 5.314 125.215 119.914 -0.021 0.000 2.607 279 V HA 0.186 4.316 4.120 0.017 0.000 0.289 279 V C 1.952 178.054 176.094 0.014 0.000 1.053 279 V CA 0.016 62.314 62.300 -0.003 0.000 0.996 279 V CB 0.936 32.736 31.823 -0.037 0.000 0.995 279 V HN 0.653 nan 8.190 nan 0.000 0.476 280 R N 2.265 122.764 120.500 -0.001 0.000 2.250 280 R HA 0.294 4.644 4.340 0.017 0.000 0.194 280 R C 0.452 176.695 176.300 -0.095 0.000 0.927 280 R CA 0.467 56.555 56.100 -0.020 0.000 1.052 280 R CB 0.523 30.826 30.300 0.006 0.000 1.055 280 R HN 0.682 nan 8.270 nan 0.000 0.537 281 S N -0.357 115.275 115.700 -0.114 0.000 2.537 281 S HA 0.587 5.067 4.470 0.017 0.000 0.270 281 S C -1.004 173.499 174.600 -0.162 0.000 1.142 281 S CA -0.828 57.259 58.200 -0.188 0.000 0.870 281 S CB 2.543 65.685 63.200 -0.097 0.000 1.112 281 S HN -0.055 nan 8.310 nan 0.000 0.466 282 V N 1.994 121.771 119.914 -0.229 0.000 2.443 282 V HA 0.618 4.748 4.120 0.017 0.000 0.293 282 V C -0.892 175.262 176.094 0.100 0.000 1.021 282 V CA -0.587 61.699 62.300 -0.025 0.000 0.848 282 V CB 1.493 33.365 31.823 0.081 0.000 0.998 282 V HN 0.853 nan 8.190 nan 0.000 0.424 283 V N 4.171 124.144 119.914 0.097 0.000 2.444 283 V HA 0.368 4.498 4.120 0.017 0.000 0.294 283 V C 0.079 176.236 176.094 0.104 0.000 1.022 283 V CA -0.843 61.525 62.300 0.113 0.000 0.850 283 V CB 1.836 33.702 31.823 0.071 0.000 0.992 283 V HN 0.918 nan 8.190 nan 0.000 0.426 284 N N 3.974 122.742 118.700 0.113 0.000 2.431 284 N HA 0.256 5.006 4.740 0.017 0.000 0.265 284 N C -0.177 175.361 175.510 0.046 0.000 1.184 284 N CA -0.021 53.068 53.050 0.065 0.000 0.943 284 N CB 0.923 39.423 38.487 0.022 0.000 1.080 284 N HN 0.706 nan 8.380 nan 0.000 0.477 285 E N 0.811 121.036 120.200 0.040 0.000 2.405 285 E HA 0.273 4.633 4.350 0.017 0.000 0.249 285 E C 0.744 177.359 176.600 0.024 0.000 1.028 285 E CA -0.884 55.536 56.400 0.033 0.000 0.897 285 E CB 1.006 30.727 29.700 0.036 0.000 1.262 285 E HN 0.311 nan 8.360 nan 0.000 0.442 286 R N 0.900 121.413 120.500 0.021 0.000 2.097 286 R HA -0.153 4.197 4.340 0.017 0.000 0.236 286 R C 0.702 177.013 176.300 0.019 0.000 1.135 286 R CA 2.151 58.261 56.100 0.017 0.000 0.934 286 R CB -0.271 30.038 30.300 0.016 0.000 0.846 286 R HN 0.459 nan 8.270 nan 0.000 0.431 287 D N -1.156 119.258 120.400 0.024 0.000 2.398 287 D HA 0.341 4.991 4.640 0.017 0.000 0.210 287 D C -0.496 175.825 176.300 0.035 0.000 1.094 287 D CA 0.668 54.684 54.000 0.027 0.000 0.839 287 D CB 1.053 41.869 40.800 0.026 0.000 0.963 287 D HN 0.312 nan 8.370 nan 0.000 0.506 288 A N 0.034 122.877 122.820 0.038 0.000 2.564 288 A HA 0.759 5.089 4.320 0.017 0.000 0.291 288 A C -1.565 176.049 177.584 0.051 0.000 1.102 288 A CA -0.505 51.561 52.037 0.049 0.000 0.660 288 A CB 1.134 20.170 19.000 0.061 0.000 1.283 288 A HN 0.013 nan 8.150 nan 0.000 0.430 289 A N 0.165 123.021 122.820 0.060 0.000 2.337 289 A HA 0.809 5.139 4.320 0.017 0.000 0.329 289 A C -0.148 177.483 177.584 0.078 0.000 1.146 289 A CA -0.535 51.542 52.037 0.066 0.000 0.800 289 A CB 0.907 19.945 19.000 0.063 0.000 1.220 289 A HN 0.927 nan 8.150 nan 0.000 0.472 290 R N 2.049 122.595 120.500 0.076 0.000 2.343 290 R HA 0.591 4.941 4.340 0.017 0.000 0.320 290 R C -1.748 174.598 176.300 0.078 0.000 0.956 290 R CA -0.278 55.869 56.100 0.079 0.000 0.836 290 R CB 1.207 31.542 30.300 0.058 0.000 1.151 290 R HN 0.471 nan 8.270 nan 0.000 0.450 291 V N 4.077 124.057 119.914 0.109 0.000 2.384 291 V HA 0.371 4.501 4.120 0.017 0.000 0.287 291 V C -0.339 175.848 176.094 0.155 0.000 1.020 291 V CA -0.544 61.820 62.300 0.107 0.000 0.850 291 V CB 1.863 33.745 31.823 0.098 0.000 0.987 291 V HN 0.828 nan 8.190 nan 0.000 0.436 292 T N 4.265 118.870 114.554 0.086 0.000 2.792 292 T HA 0.700 5.061 4.350 0.017 0.000 0.280 292 T C 0.283 175.031 174.700 0.081 0.000 0.990 292 T CA -0.232 61.913 62.100 0.075 0.000 0.960 292 T CB 1.703 70.583 68.868 0.021 0.000 0.939 292 T HN 0.894 nan 8.240 nan 0.000 0.439 293 A N 2.715 125.610 122.820 0.126 0.000 2.296 293 A HA 0.392 4.723 4.320 0.017 0.000 0.264 293 A C 1.562 179.183 177.584 0.061 0.000 1.097 293 A CA -0.367 51.734 52.037 0.107 0.000 0.811 293 A CB 0.284 19.386 19.000 0.170 0.000 1.072 293 A HN 0.943 nan 8.150 nan 0.000 0.495 294 R N -0.185 120.352 120.500 0.061 0.000 2.105 294 R HA -0.150 4.200 4.340 0.017 0.000 0.239 294 R C 0.775 177.101 176.300 0.043 0.000 1.135 294 R CA 1.758 57.891 56.100 0.054 0.000 0.967 294 R CB -0.202 30.142 30.300 0.073 0.000 0.861 294 R HN 0.910 nan 8.270 nan 0.000 0.442 295 D N -1.294 119.134 120.400 0.046 0.000 2.336 295 D HA 0.035 4.686 4.640 0.017 0.000 0.229 295 D C 1.074 177.383 176.300 0.015 0.000 1.061 295 D CA 0.824 54.843 54.000 0.033 0.000 0.875 295 D CB 0.330 41.153 40.800 0.037 0.000 0.904 295 D HN 0.314 nan 8.370 nan 0.000 0.525 296 G N 0.291 109.098 108.800 0.012 0.000 2.217 296 G HA2 -0.319 3.651 3.960 0.017 0.000 0.246 296 G HA3 -0.319 3.651 3.960 0.017 0.000 0.246 296 G C 0.364 175.235 174.900 -0.049 0.000 0.990 296 G CA -0.153 44.940 45.100 -0.011 0.000 0.627 296 G HN 0.450 nan 8.290 nan 0.000 0.522 297 R N 1.316 121.779 120.500 -0.062 0.000 2.538 297 R HA 0.351 4.701 4.340 0.017 0.000 0.282 297 R C 0.036 176.146 176.300 -0.316 0.000 1.009 297 R CA 0.614 56.588 56.100 -0.210 0.000 1.063 297 R CB 0.284 30.470 30.300 -0.190 0.000 0.945 297 R HN 0.512 nan 8.270 nan 0.000 0.414 298 E N 2.607 122.527 120.200 -0.466 0.000 2.183 298 E HA 0.345 4.705 4.350 0.017 0.000 0.271 298 E C -1.107 175.145 176.600 -0.579 0.000 0.919 298 E CA -0.496 55.703 56.400 -0.335 0.000 0.781 298 E CB 1.418 31.029 29.700 -0.148 0.000 1.140 298 E HN 0.272 nan 8.360 nan 0.000 0.402 299 F N 0.827 120.792 119.950 0.026 0.000 2.565 299 F HA 0.469 5.006 4.527 0.017 0.000 0.313 299 F C -0.432 175.409 175.800 0.068 0.000 1.091 299 F CA -0.992 57.038 58.000 0.051 0.000 0.915 299 F CB 1.608 40.595 39.000 -0.022 0.000 1.208 299 F HN 0.106 nan 8.300 nan 0.000 0.453 300 V N 2.060 122.157 119.914 0.306 0.000 2.656 300 V HA 0.953 5.083 4.120 0.017 0.000 0.307 300 V C -0.610 175.642 176.094 0.263 0.000 1.051 300 V CA -0.679 61.751 62.300 0.217 0.000 0.893 300 V CB 1.643 33.553 31.823 0.145 0.000 0.999 300 V HN 1.008 nan 8.190 nan 0.000 0.426 301 A N 3.386 126.317 122.820 0.184 0.000 2.609 301 A HA 0.636 4.966 4.320 0.017 0.000 0.291 301 A C 0.320 177.971 177.584 0.113 0.000 1.096 301 A CA -0.622 51.524 52.037 0.182 0.000 0.684 301 A CB 1.535 20.644 19.000 0.181 0.000 1.282 301 A HN 0.694 nan 8.150 nan 0.000 0.412 302 K N -0.274 120.188 120.400 0.104 0.000 2.057 302 K HA -0.021 4.309 4.320 0.017 0.000 0.207 302 K C 0.245 176.868 176.600 0.039 0.000 1.049 302 K CA 1.058 57.387 56.287 0.069 0.000 0.931 302 K CB -0.032 32.513 32.500 0.076 0.000 0.714 302 K HN 0.460 nan 8.250 nan 0.000 0.440 303 R N 0.199 120.713 120.500 0.022 0.000 2.795 303 R HA 0.425 4.775 4.340 0.017 0.000 0.275 303 R C -1.093 175.196 176.300 -0.018 0.000 0.981 303 R CA -0.767 55.326 56.100 -0.011 0.000 0.917 303 R CB 2.087 32.355 30.300 -0.054 0.000 1.202 303 R HN -0.198 nan 8.270 nan 0.000 0.469 304 V N 1.886 121.782 119.914 -0.031 0.000 2.487 304 V HA 0.371 4.501 4.120 0.017 0.000 0.298 304 V C -0.271 175.772 176.094 -0.084 0.000 1.028 304 V CA -0.888 61.381 62.300 -0.051 0.000 0.860 304 V CB 2.280 34.083 31.823 -0.033 0.000 0.991 304 V HN 0.404 nan 8.190 nan 0.000 0.427 305 V N 4.136 124.000 119.914 -0.083 0.000 2.333 305 V HA 0.234 4.364 4.120 0.017 0.000 0.274 305 V C 0.149 176.195 176.094 -0.080 0.000 1.028 305 V CA -0.371 61.884 62.300 -0.076 0.000 0.851 305 V CB 1.198 32.990 31.823 -0.051 0.000 1.000 305 V HN 1.007 nan 8.190 nan 0.000 0.456 306 C N 5.467 124.695 119.300 -0.120 0.000 2.246 306 C HA 0.506 4.976 4.460 0.017 0.000 0.329 306 C C 1.624 176.668 174.990 0.089 0.000 1.221 306 C CA 0.209 59.188 59.018 -0.065 0.000 1.697 306 C CB 0.007 27.617 27.740 -0.217 0.000 2.312 306 C HN 1.010 nan 8.230 nan 0.000 0.509 307 T N 3.436 118.040 114.554 0.082 0.000 3.134 307 T HA 0.284 4.644 4.350 0.017 0.000 0.260 307 T C 0.503 175.275 174.700 0.120 0.000 1.027 307 T CA -0.184 61.968 62.100 0.088 0.000 0.913 307 T CB -0.407 68.461 68.868 0.001 0.000 1.046 307 T HN 0.658 nan 8.240 nan 0.000 0.553 308 I N 3.185 123.873 120.570 0.197 0.000 2.826 308 I HA 0.116 4.296 4.170 0.017 0.000 0.295 308 I C -2.074 174.225 176.117 0.303 0.000 1.213 308 I CA -1.616 59.829 61.300 0.242 0.000 1.436 308 I CB 0.200 38.377 38.000 0.295 0.000 1.348 308 I HN 0.090 nan 8.210 nan 0.000 0.570 309 P HA -0.030 nan 4.420 nan 0.000 0.269 309 P C 0.556 178.083 177.300 0.379 0.000 1.215 309 P CA -0.412 62.839 63.100 0.251 0.000 0.780 309 P CB 0.629 32.479 31.700 0.249 0.000 0.898 310 L N 2.851 124.354 121.223 0.467 0.000 2.021 310 L HA -0.252 4.098 4.340 0.017 0.000 0.215 310 L C 1.410 178.489 176.870 0.348 0.000 1.074 310 L CA 2.208 57.351 54.840 0.505 0.000 0.760 310 L CB -1.228 41.186 42.059 0.593 0.000 0.889 310 L HN 0.298 nan 8.230 nan 0.000 0.433 311 N N -1.389 117.508 118.700 0.328 0.000 2.571 311 N HA -0.035 4.715 4.740 0.017 0.000 0.189 311 N C 1.294 176.906 175.510 0.169 0.000 1.154 311 N CA 0.993 54.154 53.050 0.185 0.000 0.907 311 N CB 0.139 38.667 38.487 0.068 0.000 0.977 311 N HN 0.334 nan 8.380 nan 0.000 0.449 312 V N -0.327 119.722 119.914 0.225 0.000 3.621 312 V HA 0.147 4.278 4.120 0.017 0.000 0.263 312 V C 1.940 178.172 176.094 0.231 0.000 1.272 312 V CA 0.145 62.574 62.300 0.215 0.000 1.080 312 V CB 0.089 32.067 31.823 0.258 0.000 0.816 312 V HN 0.171 nan 8.190 nan 0.000 0.451 313 L N 1.331 122.714 121.223 0.267 0.000 2.127 313 L HA -0.159 4.191 4.340 0.017 0.000 0.211 313 L C 2.668 179.703 176.870 0.274 0.000 1.089 313 L CA 1.922 56.953 54.840 0.320 0.000 0.757 313 L CB -0.474 41.762 42.059 0.296 0.000 0.899 313 L HN 0.589 nan 8.230 nan 0.000 0.434 314 S N -1.540 114.270 115.700 0.182 0.000 2.500 314 S HA -0.147 4.333 4.470 0.017 0.000 0.239 314 S C 1.841 176.511 174.600 0.117 0.000 0.989 314 S CA 1.202 59.484 58.200 0.137 0.000 0.951 314 S CB -0.750 62.505 63.200 0.092 0.000 0.759 314 S HN 0.591 nan 8.310 nan 0.000 0.523 315 T N -0.471 114.155 114.554 0.120 0.000 3.088 315 T HA 0.322 4.682 4.350 0.017 0.000 0.259 315 T C 0.648 175.381 174.700 0.055 0.000 1.122 315 T CA -0.223 61.927 62.100 0.085 0.000 1.095 315 T CB -0.448 68.475 68.868 0.092 0.000 0.930 315 T HN 0.309 nan 8.240 nan 0.000 0.508 316 I N 1.867 122.469 120.570 0.053 0.000 2.392 316 I HA 0.460 4.640 4.170 0.017 0.000 0.295 316 I C -0.106 175.888 176.117 -0.205 0.000 0.985 316 I CA -0.995 60.226 61.300 -0.132 0.000 1.221 316 I CB 1.353 39.192 38.000 -0.269 0.000 1.366 316 I HN 0.156 nan 8.210 nan 0.000 0.467 317 Q N 5.102 124.740 119.800 -0.270 0.000 2.360 317 Q HA 0.443 4.793 4.340 0.017 0.000 0.254 317 Q C -1.752 174.087 176.000 -0.268 0.000 0.975 317 Q CA 0.115 55.825 55.803 -0.155 0.000 0.912 317 Q CB 0.545 29.244 28.738 -0.064 0.000 1.212 317 Q HN 0.332 nan 8.270 nan 0.000 0.452 318 F N 1.448 121.454 119.950 0.093 0.000 2.450 318 F HA 0.612 5.149 4.527 0.017 0.000 0.332 318 F C 0.248 176.133 175.800 0.141 0.000 1.093 318 F CA -0.633 57.444 58.000 0.130 0.000 1.003 318 F CB 2.297 41.373 39.000 0.126 0.000 1.151 318 F HN 0.457 nan 8.300 nan 0.000 0.474 319 S N 4.448 120.369 115.700 0.369 0.000 2.672 319 S HA 0.584 5.064 4.470 0.017 0.000 0.291 319 S C -2.861 171.897 174.600 0.263 0.000 1.145 319 S CA -1.585 56.769 58.200 0.256 0.000 1.013 319 S CB 1.367 64.656 63.200 0.148 0.000 1.017 319 S HN 0.287 nan 8.310 nan 0.000 0.487 320 P HA 0.344 nan 4.420 nan 0.000 0.277 320 P C -0.421 177.070 177.300 0.319 0.000 1.276 320 P CA -0.438 62.777 63.100 0.193 0.000 0.788 320 P CB 0.290 32.044 31.700 0.090 0.000 1.114 321 A N 0.455 123.401 122.820 0.210 0.000 2.466 321 A HA 0.256 4.586 4.320 0.017 0.000 0.238 321 A C 0.572 178.253 177.584 0.162 0.000 1.074 321 A CA -0.141 51.998 52.037 0.169 0.000 0.774 321 A CB -0.843 18.216 19.000 0.099 0.000 1.015 321 A HN 0.466 nan 8.150 nan 0.000 0.498 322 L N 1.333 122.564 121.223 0.013 0.000 2.468 322 L HA 0.336 4.686 4.340 0.017 0.000 0.254 322 L C 1.310 178.128 176.870 -0.086 0.000 1.171 322 L CA -0.374 54.374 54.840 -0.153 0.000 0.809 322 L CB 0.818 42.654 42.059 -0.371 0.000 1.155 322 L HN 0.922 nan 8.230 nan 0.000 0.473 323 S N -0.894 114.733 115.700 -0.122 0.000 2.584 323 S HA 0.034 4.514 4.470 0.017 0.000 0.270 323 S C 1.026 175.570 174.600 -0.092 0.000 1.346 323 S CA -0.265 57.884 58.200 -0.085 0.000 1.018 323 S CB 1.049 64.192 63.200 -0.096 0.000 0.899 323 S HN 0.645 nan 8.310 nan 0.000 0.542 324 T N 1.907 116.426 114.554 -0.058 0.000 2.720 324 T HA -0.124 4.236 4.350 0.017 0.000 0.268 324 T C 1.531 176.193 174.700 -0.062 0.000 1.037 324 T CA 2.122 64.194 62.100 -0.048 0.000 1.144 324 T CB -0.580 68.271 68.868 -0.028 0.000 0.864 324 T HN 0.762 nan 8.240 nan 0.000 0.444 325 E N 0.653 120.809 120.200 -0.074 0.000 2.077 325 E HA -0.040 4.320 4.350 0.017 0.000 0.193 325 E C 2.283 178.808 176.600 -0.124 0.000 0.989 325 E CA 0.831 57.184 56.400 -0.079 0.000 0.800 325 E CB -0.167 29.488 29.700 -0.075 0.000 0.746 325 E HN 0.354 nan 8.360 nan 0.000 0.452 326 R N 0.306 120.686 120.500 -0.199 0.000 2.075 326 R HA -0.043 4.307 4.340 0.017 0.000 0.232 326 R C 2.207 178.380 176.300 -0.213 0.000 1.126 326 R CA 1.109 57.029 56.100 -0.301 0.000 0.963 326 R CB -0.231 29.780 30.300 -0.482 0.000 0.858 326 R HN 0.163 nan 8.270 nan 0.000 0.435 327 I N 0.800 121.276 120.570 -0.155 0.000 2.179 327 I HA -0.309 3.871 4.170 0.017 0.000 0.242 327 I C 2.491 178.581 176.117 -0.045 0.000 1.088 327 I CA 1.710 62.958 61.300 -0.086 0.000 1.357 327 I CB -0.350 37.617 38.000 -0.055 0.000 1.051 327 I HN 0.337 nan 8.210 nan 0.000 0.409 328 S N 1.265 116.941 115.700 -0.040 0.000 2.382 328 S HA -0.160 4.320 4.470 0.017 0.000 0.228 328 S C 2.209 176.813 174.600 0.006 0.000 1.027 328 S CA 0.924 59.117 58.200 -0.012 0.000 0.991 328 S CB -0.600 62.595 63.200 -0.009 0.000 0.823 328 S HN 0.413 nan 8.310 nan 0.000 0.469 329 A N 3.047 125.867 122.820 -0.001 0.000 1.898 329 A HA 0.059 4.389 4.320 0.017 0.000 0.216 329 A C 2.458 180.086 177.584 0.074 0.000 1.181 329 A CA 1.719 53.786 52.037 0.049 0.000 0.620 329 A CB -0.854 18.169 19.000 0.038 0.000 0.819 329 A HN 0.826 nan 8.150 nan 0.000 0.442 330 M N -1.434 118.186 119.600 0.033 0.000 2.319 330 M HA -0.087 4.404 4.480 0.017 0.000 0.265 330 M C 1.827 178.162 176.300 0.058 0.000 1.068 330 M CA 1.876 57.214 55.300 0.064 0.000 1.118 330 M CB -0.399 32.223 32.600 0.036 0.000 1.395 330 M HN 0.395 nan 8.290 nan 0.000 0.435 331 Q N 1.162 120.982 119.800 0.034 0.000 2.020 331 Q HA 0.010 4.360 4.340 0.017 0.000 0.198 331 Q C 2.500 178.515 176.000 0.025 0.000 0.974 331 Q CA 1.698 57.517 55.803 0.027 0.000 0.829 331 Q CB -0.263 28.485 28.738 0.016 0.000 0.894 331 Q HN 0.744 nan 8.270 nan 0.000 0.433 332 A N 0.692 123.529 122.820 0.029 0.000 1.902 332 A HA 0.129 4.459 4.320 0.017 0.000 0.217 332 A C 1.156 178.752 177.584 0.019 0.000 1.181 332 A CA 1.260 53.311 52.037 0.023 0.000 0.623 332 A CB -1.092 17.927 19.000 0.032 0.000 0.818 332 A HN 0.480 nan 8.150 nan 0.000 0.443 333 G N -1.010 107.820 108.800 0.050 0.000 2.785 333 G HA2 -0.121 3.849 3.960 0.017 0.000 0.685 333 G HA3 -0.121 3.849 3.960 0.017 0.000 0.685 333 G C -0.114 174.809 174.900 0.039 0.000 1.480 333 G CA -0.054 45.070 45.100 0.040 0.000 0.915 333 G HN 1.505 nan 8.290 nan 0.000 0.576 334 H N -0.507 118.596 119.070 0.056 0.000 2.546 334 H HA 0.511 5.077 4.556 0.017 0.000 0.365 334 H C 1.556 176.823 175.328 -0.102 0.000 1.220 334 H CA 0.062 56.055 56.048 -0.092 0.000 1.386 334 H CB 1.356 30.988 29.762 -0.217 0.000 1.510 334 H HN 1.252 nan 8.280 nan 0.000 0.591 335 V N -1.011 118.921 119.914 0.030 0.000 3.621 335 V HA 0.116 4.247 4.120 0.017 0.000 0.285 335 V C 0.942 177.001 176.094 -0.057 0.000 1.346 335 V CA 0.202 62.471 62.300 -0.052 0.000 1.104 335 V CB -0.071 31.722 31.823 -0.050 0.000 0.913 335 V HN 0.606 nan 8.190 nan 0.000 0.432 336 S N 2.287 118.035 115.700 0.080 0.000 2.414 336 S HA 0.389 4.870 4.470 0.017 0.000 0.290 336 S C 0.450 174.936 174.600 -0.190 0.000 1.160 336 S CA -0.299 57.773 58.200 -0.213 0.000 1.069 336 S CB 0.022 62.818 63.200 -0.674 0.000 1.012 336 S HN 0.449 nan 8.310 nan 0.000 0.510 337 M N 4.326 123.830 119.600 -0.159 0.000 2.869 337 M HA 0.192 4.682 4.480 0.017 0.000 0.338 337 M C 0.378 176.744 176.300 0.110 0.000 1.227 337 M CA -0.482 54.792 55.300 -0.044 0.000 0.946 337 M CB -0.932 31.575 32.600 -0.156 0.000 1.299 337 M HN 0.655 nan 8.290 nan 0.000 0.518 338 C N 2.614 121.871 119.300 -0.072 0.000 2.437 338 C HA 0.118 4.588 4.460 0.017 0.000 0.399 338 C C 0.878 176.006 174.990 0.230 0.000 1.478 338 C CA 0.930 59.981 59.018 0.055 0.000 1.538 338 C CB -0.471 27.215 27.740 -0.090 0.000 2.506 338 C HN 0.580 nan 8.230 nan 0.000 0.603 339 T N 6.840 121.507 114.554 0.189 0.000 2.744 339 T HA 0.310 4.670 4.350 0.017 0.000 0.291 339 T C -0.333 174.476 174.700 0.182 0.000 0.957 339 T CA -0.140 62.031 62.100 0.118 0.000 1.002 339 T CB 0.632 69.415 68.868 -0.143 0.000 0.919 339 T HN 0.771 nan 8.240 nan 0.000 0.468 340 K N 3.481 124.015 120.400 0.223 0.000 2.450 340 K HA 0.601 4.931 4.320 0.017 0.000 0.257 340 K C -1.565 175.035 176.600 -0.001 0.000 0.953 340 K CA -0.594 55.765 56.287 0.121 0.000 0.844 340 K CB 1.012 33.696 32.500 0.306 0.000 1.103 340 K HN 0.346 nan 8.250 nan 0.000 0.429 341 V N 5.009 124.830 119.914 -0.154 0.000 2.444 341 V HA 0.294 4.424 4.120 0.017 0.000 0.294 341 V C -0.537 175.499 176.094 -0.097 0.000 1.022 341 V CA -0.919 61.347 62.300 -0.057 0.000 0.850 341 V CB 1.458 33.225 31.823 -0.093 0.000 0.992 341 V HN 0.786 nan 8.190 nan 0.000 0.426 342 H N 3.219 122.447 119.070 0.263 0.000 2.502 342 H HA 0.720 5.286 4.556 0.016 0.000 0.327 342 H C 0.019 175.528 175.328 0.302 0.000 1.099 342 H CA -0.198 56.065 56.048 0.358 0.000 1.323 342 H CB 2.030 32.109 29.762 0.529 0.000 1.450 342 H HN 0.751 nan 8.280 nan 0.000 0.502 343 A N 3.130 126.196 122.820 0.410 0.000 2.353 343 A HA 0.231 4.561 4.320 0.017 0.000 0.299 343 A C -0.070 177.676 177.584 0.269 0.000 1.089 343 A CA -0.754 51.447 52.037 0.274 0.000 0.736 343 A CB 1.029 20.109 19.000 0.133 0.000 1.195 343 A HN 0.790 nan 8.150 nan 0.000 0.447 344 E N 2.218 122.568 120.200 0.251 0.000 2.152 344 E HA 0.467 4.827 4.350 0.017 0.000 0.285 344 E C -0.311 176.349 176.600 0.099 0.000 1.043 344 E CA -0.383 56.115 56.400 0.163 0.000 0.839 344 E CB 0.817 30.611 29.700 0.156 0.000 1.069 344 E HN 0.690 nan 8.360 nan 0.000 0.399 345 V N 1.669 121.592 119.914 0.015 0.000 3.046 345 V HA 0.402 4.532 4.120 0.017 0.000 0.316 345 V C 0.220 176.330 176.094 0.026 0.000 1.104 345 V CA -0.593 61.706 62.300 -0.001 0.000 1.006 345 V CB 1.858 33.512 31.823 -0.282 0.000 1.058 345 V HN 0.753 nan 8.190 nan 0.000 0.440 346 D N 0.158 120.610 120.400 0.087 0.000 2.339 346 D HA 0.042 4.692 4.640 0.017 0.000 0.217 346 D C 0.334 176.670 176.300 0.060 0.000 1.050 346 D CA 0.142 54.185 54.000 0.073 0.000 0.856 346 D CB -0.320 40.534 40.800 0.089 0.000 0.922 346 D HN 0.521 nan 8.370 nan 0.000 0.518 347 N N 1.422 120.151 118.700 0.049 0.000 2.500 347 N HA 0.088 4.838 4.740 0.017 0.000 0.236 347 N C 0.549 176.061 175.510 0.004 0.000 1.022 347 N CA -0.181 52.890 53.050 0.035 0.000 0.935 347 N CB 0.955 39.475 38.487 0.055 0.000 1.147 347 N HN 0.008 nan 8.380 nan 0.000 0.512 348 K N 1.450 121.861 120.400 0.019 0.000 2.209 348 K HA -0.076 4.254 4.320 0.017 0.000 0.204 348 K C 0.222 176.842 176.600 0.034 0.000 1.048 348 K CA 0.984 57.284 56.287 0.022 0.000 0.940 348 K CB 0.360 32.876 32.500 0.027 0.000 0.729 348 K HN 0.475 nan 8.250 nan 0.000 0.451 349 D N 0.499 120.919 120.400 0.034 0.000 2.347 349 D HA -0.040 4.610 4.640 0.017 0.000 0.215 349 D C 1.325 177.663 176.300 0.063 0.000 0.976 349 D CA 0.824 54.851 54.000 0.045 0.000 0.884 349 D CB 0.117 40.935 40.800 0.031 0.000 0.915 349 D HN 0.222 nan 8.370 nan 0.000 0.526 350 M N -0.087 119.538 119.600 0.043 0.000 2.618 350 M HA 0.040 4.530 4.480 0.017 0.000 0.240 350 M C 1.742 178.147 176.300 0.176 0.000 1.123 350 M CA -0.013 55.332 55.300 0.075 0.000 1.060 350 M CB 0.317 32.830 32.600 -0.145 0.000 1.535 350 M HN -0.199 nan 8.290 nan 0.000 0.507 351 R N 1.551 122.137 120.500 0.144 0.000 2.117 351 R HA -0.127 4.223 4.340 0.017 0.000 0.243 351 R C 1.592 178.069 176.300 0.294 0.000 1.143 351 R CA 2.174 58.380 56.100 0.177 0.000 0.968 351 R CB -0.450 29.932 30.300 0.137 0.000 0.863 351 R HN 0.362 nan 8.270 nan 0.000 0.444 352 S N -2.086 113.821 115.700 0.344 0.000 2.574 352 S HA 0.136 4.616 4.470 0.017 0.000 0.242 352 S C -0.251 174.655 174.600 0.510 0.000 0.982 352 S CA -0.894 57.606 58.200 0.499 0.000 0.977 352 S CB -0.393 63.056 63.200 0.415 0.000 0.814 352 S HN 0.410 nan 8.310 nan 0.000 0.464 353 W N 3.253 124.711 121.300 0.262 0.000 2.438 353 W HA 0.599 5.267 4.660 0.013 0.000 0.324 353 W C -0.291 176.453 176.519 0.375 0.000 1.119 353 W CA -0.163 57.339 57.345 0.263 0.000 1.221 353 W CB 1.357 30.912 29.460 0.159 0.000 1.253 353 W HN 0.190 nan 8.180 nan 0.000 0.555 354 T N 2.693 117.035 114.554 -0.353 0.000 2.896 354 T HA 0.860 5.220 4.350 0.017 0.000 0.297 354 T C -0.550 173.411 174.700 -1.231 0.000 1.108 354 T CA -0.695 61.042 62.100 -0.604 0.000 1.004 354 T CB 1.559 70.462 68.868 0.057 0.000 1.159 354 T HN 0.944 nan 8.240 nan 0.000 0.499 355 G N 0.607 108.786 108.800 -1.035 0.000 2.706 355 G HA2 0.667 4.637 3.960 0.017 0.000 0.297 355 G HA3 0.667 4.637 3.960 0.017 0.000 0.297 355 G C -1.678 173.110 174.900 -0.188 0.000 1.403 355 G CA -0.872 43.852 45.100 -0.628 0.000 0.954 355 G HN 0.909 nan 8.290 nan 0.000 0.500 356 I N 1.076 121.611 120.570 -0.058 0.000 2.466 356 I HA 0.601 4.781 4.170 0.017 0.000 0.289 356 I C 0.056 176.191 176.117 0.031 0.000 1.026 356 I CA -0.904 60.431 61.300 0.058 0.000 1.078 356 I CB 2.290 40.417 38.000 0.211 0.000 1.249 356 I HN 0.619 nan 8.210 nan 0.000 0.429 357 A N 6.680 129.530 122.820 0.050 0.000 2.310 357 A HA 0.719 5.049 4.320 0.017 0.000 0.304 357 A C -1.595 175.892 177.584 -0.162 0.000 1.231 357 A CA -0.371 51.622 52.037 -0.074 0.000 0.799 357 A CB 0.610 19.506 19.000 -0.172 0.000 1.162 357 A HN 0.650 nan 8.150 nan 0.000 0.486 358 Y N 4.591 124.766 120.300 -0.209 0.000 2.482 358 Y HA 0.581 5.141 4.550 0.017 0.000 0.334 358 Y C -2.542 173.396 175.900 0.063 0.000 1.091 358 Y CA -1.457 56.573 58.100 -0.117 0.000 1.027 358 Y CB 2.944 41.394 38.460 -0.016 0.000 1.306 358 Y HN 0.446 nan 8.280 nan 0.000 0.446 359 P HA 0.096 nan 4.420 nan 0.000 0.274 359 P C 0.461 177.522 177.300 -0.398 0.000 1.352 359 P CA 0.167 62.682 63.100 -0.975 0.000 0.947 359 P CB -0.291 30.776 31.700 -1.056 0.000 1.437 360 F N -1.404 118.433 119.950 -0.189 0.000 2.743 360 F HA 0.337 4.874 4.527 0.016 0.000 0.297 360 F C 0.299 176.064 175.800 -0.059 0.000 1.131 360 F CA -0.612 57.323 58.000 -0.108 0.000 1.426 360 F CB -0.900 38.053 39.000 -0.078 0.000 1.116 360 F HN -0.238 nan 8.300 nan 0.000 0.583 361 N N 0.914 119.206 118.700 -0.679 0.000 2.417 361 N HA 0.252 5.002 4.740 0.017 0.000 0.300 361 N C 0.303 175.697 175.510 -0.193 0.000 1.102 361 N CA -0.617 52.184 53.050 -0.416 0.000 0.886 361 N CB 1.515 39.654 38.487 -0.579 0.000 1.203 361 N HN 0.031 nan 8.380 nan 0.000 0.496 362 K N 1.024 121.360 120.400 -0.107 0.000 2.418 362 K HA 0.198 4.528 4.320 0.017 0.000 0.195 362 K C -0.241 176.317 176.600 -0.069 0.000 1.035 362 K CA 0.628 56.865 56.287 -0.083 0.000 1.003 362 K CB 0.120 32.565 32.500 -0.091 0.000 0.793 362 K HN 0.385 nan 8.250 nan 0.000 0.494 363 L N -0.252 120.945 121.223 -0.044 0.000 2.356 363 L HA 0.231 4.581 4.340 0.017 0.000 0.277 363 L C 0.507 177.415 176.870 0.063 0.000 0.996 363 L CA -0.716 54.141 54.840 0.028 0.000 0.822 363 L CB 1.877 43.957 42.059 0.035 0.000 1.256 363 L HN 0.035 nan 8.230 nan 0.000 0.413 364 C N 2.870 122.266 119.300 0.161 0.000 2.563 364 C HA 0.241 4.712 4.460 0.017 0.000 0.346 364 C C 0.104 175.267 174.990 0.289 0.000 1.334 364 C CA -0.024 59.108 59.018 0.190 0.000 1.938 364 C CB 0.220 28.104 27.740 0.241 0.000 2.445 364 C HN 0.731 nan 8.230 nan 0.000 0.541 365 Y N 1.132 121.582 120.300 0.250 0.000 2.406 365 Y HA 0.693 5.254 4.550 0.018 0.000 0.340 365 Y C -0.397 175.762 175.900 0.432 0.000 0.975 365 Y CA -0.068 58.217 58.100 0.308 0.000 1.056 365 Y CB 1.386 40.007 38.460 0.268 0.000 1.210 365 Y HN 0.398 nan 8.280 nan 0.000 0.448 366 A N 6.487 129.461 122.820 0.257 0.000 2.574 366 A HA 0.807 5.138 4.320 0.017 0.000 0.297 366 A C -1.745 175.982 177.584 0.239 0.000 1.062 366 A CA -0.599 51.665 52.037 0.379 0.000 0.686 366 A CB 1.137 20.427 19.000 0.482 0.000 1.285 366 A HN 0.909 nan 8.150 nan 0.000 0.403 367 I N -0.875 119.915 120.570 0.366 0.000 2.865 367 I HA 0.856 5.036 4.170 0.017 0.000 0.302 367 I C 0.285 176.595 176.117 0.322 0.000 1.140 367 I CA -1.075 60.413 61.300 0.314 0.000 1.021 367 I CB 2.282 40.422 38.000 0.234 0.000 1.233 367 I HN 0.782 nan 8.210 nan 0.000 0.427 368 G N 1.878 110.907 108.800 0.382 0.000 2.334 368 G HA2 0.194 4.164 3.960 0.017 0.000 0.261 368 G HA3 0.194 4.164 3.960 0.017 0.000 0.261 368 G C -0.271 174.674 174.900 0.075 0.000 1.257 368 G CA 0.097 45.334 45.100 0.229 0.000 0.935 368 G HN 0.915 nan 8.290 nan 0.000 0.480 369 D N 0.792 121.178 120.400 -0.023 0.000 2.479 369 D HA 0.321 4.971 4.640 0.017 0.000 0.221 369 D C 1.100 177.495 176.300 0.159 0.000 1.104 369 D CA 0.998 55.000 54.000 0.003 0.000 0.849 369 D CB 0.657 41.416 40.800 -0.068 0.000 1.072 369 D HN 0.756 nan 8.370 nan 0.000 0.502 370 G N -1.589 107.314 108.800 0.172 0.000 2.342 370 G HA2 0.405 4.376 3.960 0.017 0.000 0.297 370 G HA3 0.405 4.376 3.960 0.017 0.000 0.297 370 G C -1.390 173.565 174.900 0.091 0.000 1.313 370 G CA -0.585 44.650 45.100 0.224 0.000 0.830 370 G HN -0.088 nan 8.290 nan 0.000 0.506 371 T N 1.023 115.603 114.554 0.043 0.000 2.879 371 T HA 0.626 4.986 4.350 0.017 0.000 0.290 371 T C 0.473 175.072 174.700 -0.168 0.000 0.993 371 T CA 0.055 62.118 62.100 -0.061 0.000 0.975 371 T CB 1.296 70.170 68.868 0.010 0.000 0.981 371 T HN 1.084 nan 8.240 nan 0.000 0.439 372 T N 1.310 115.657 114.554 -0.345 0.000 2.860 372 T HA 0.241 4.601 4.350 0.017 0.000 0.299 372 T C -1.660 172.999 174.700 -0.068 0.000 1.045 372 T CA -1.423 60.477 62.100 -0.332 0.000 1.071 372 T CB 0.383 69.046 68.868 -0.341 0.000 0.985 372 T HN 0.131 nan 8.240 nan 0.000 0.537 373 P HA -0.052 nan 4.420 nan 0.000 0.217 373 P C 1.520 178.826 177.300 0.010 0.000 1.148 373 P CA 1.385 64.502 63.100 0.028 0.000 0.828 373 P CB -0.311 31.416 31.700 0.045 0.000 0.783 374 A N -1.025 121.794 122.820 -0.001 0.000 2.121 374 A HA 0.240 4.570 4.320 0.017 0.000 0.218 374 A C 1.726 179.308 177.584 -0.004 0.000 1.154 374 A CA 1.327 53.364 52.037 -0.001 0.000 0.679 374 A CB -1.327 17.673 19.000 -0.000 0.000 0.795 374 A HN 0.284 nan 8.150 nan 0.000 0.458 375 G N -1.260 107.532 108.800 -0.014 0.000 2.134 375 G HA2 -0.180 3.790 3.960 0.017 0.000 0.209 375 G HA3 -0.180 3.790 3.960 0.017 0.000 0.209 375 G C -0.386 174.506 174.900 -0.013 0.000 0.993 375 G CA -0.012 45.083 45.100 -0.007 0.000 0.669 375 G HN 0.470 nan 8.290 nan 0.000 0.519 376 N N 0.832 119.510 118.700 -0.035 0.000 2.430 376 N HA 0.469 5.219 4.740 0.017 0.000 0.292 376 N C 0.187 175.665 175.510 -0.054 0.000 1.051 376 N CA -0.120 52.911 53.050 -0.031 0.000 0.917 376 N CB 1.236 39.712 38.487 -0.019 0.000 1.164 376 N HN 0.094 nan 8.380 nan 0.000 0.484 377 T N 1.313 115.849 114.554 -0.031 0.000 2.908 377 T HA -0.066 4.295 4.350 0.017 0.000 0.301 377 T C 0.262 174.956 174.700 -0.011 0.000 1.019 377 T CA 0.369 62.453 62.100 -0.026 0.000 1.152 377 T CB -0.110 68.735 68.868 -0.038 0.000 0.966 377 T HN 0.337 nan 8.240 nan 0.000 0.540 378 H N 4.242 123.244 119.070 -0.115 0.000 2.519 378 H HA 0.461 5.027 4.556 0.017 0.000 0.316 378 H C -0.915 174.440 175.328 0.045 0.000 1.065 378 H CA -0.941 55.064 56.048 -0.071 0.000 1.264 378 H CB 0.477 30.111 29.762 -0.213 0.000 1.413 378 H HN 0.414 nan 8.280 nan 0.000 0.465 379 L N 5.910 127.072 121.223 -0.101 0.000 2.317 379 L HA 0.365 4.715 4.340 0.017 0.000 0.281 379 L C -0.291 176.504 176.870 -0.124 0.000 1.024 379 L CA -1.039 53.717 54.840 -0.140 0.000 0.810 379 L CB 1.986 43.969 42.059 -0.127 0.000 1.240 379 L HN 0.354 nan 8.230 nan 0.000 0.427 380 V N 2.749 122.597 119.914 -0.109 0.000 2.459 380 V HA 0.542 4.672 4.120 0.017 0.000 0.295 380 V C -0.674 175.288 176.094 -0.220 0.000 1.029 380 V CA -0.254 61.976 62.300 -0.117 0.000 0.874 380 V CB 1.512 33.331 31.823 -0.007 0.000 0.985 380 V HN 0.937 nan 8.190 nan 0.000 0.438 381 C N 6.637 125.706 119.300 -0.386 0.000 2.498 381 C HA 0.730 5.200 4.460 0.017 0.000 0.316 381 C C -0.729 174.028 174.990 -0.389 0.000 1.209 381 C CA -0.987 57.903 59.018 -0.214 0.000 1.518 381 C CB 0.797 28.530 27.740 -0.012 0.000 2.147 381 C HN 0.762 nan 8.230 nan 0.000 0.483 382 F N 1.150 121.234 119.950 0.223 0.000 2.529 382 F HA 0.687 5.223 4.527 0.016 0.000 0.320 382 F C 0.653 176.543 175.800 0.151 0.000 1.118 382 F CA -0.274 57.849 58.000 0.205 0.000 0.915 382 F CB 1.730 40.878 39.000 0.248 0.000 1.161 382 F HN 0.788 nan 8.300 nan 0.000 0.445 383 G N 1.538 110.494 108.800 0.259 0.000 2.481 383 G HA2 0.567 4.537 3.960 0.017 0.000 0.315 383 G HA3 0.567 4.537 3.960 0.017 0.000 0.315 383 G C -1.336 173.655 174.900 0.152 0.000 1.231 383 G CA -0.837 44.346 45.100 0.138 0.000 0.968 383 G HN 0.695 nan 8.290 nan 0.000 0.482 384 N N -1.435 117.350 118.700 0.141 0.000 2.741 384 N HA 0.415 5.165 4.740 0.017 0.000 0.310 384 N C 0.749 176.385 175.510 0.211 0.000 1.295 384 N CA -0.573 52.565 53.050 0.147 0.000 0.893 384 N CB 1.299 39.850 38.487 0.107 0.000 1.247 384 N HN 0.150 nan 8.380 nan 0.000 0.596 385 S N -1.423 114.358 115.700 0.135 0.000 2.527 385 S HA 0.135 4.615 4.470 0.017 0.000 0.222 385 S C 1.591 176.230 174.600 0.065 0.000 0.985 385 S CA 0.260 58.511 58.200 0.085 0.000 0.921 385 S CB -0.516 62.652 63.200 -0.053 0.000 0.772 385 S HN 0.684 nan 8.310 nan 0.000 0.529 386 A N 1.613 124.477 122.820 0.073 0.000 2.014 386 A HA 0.079 4.409 4.320 0.017 0.000 0.218 386 A C 1.082 178.689 177.584 0.037 0.000 1.163 386 A CA 0.937 53.007 52.037 0.054 0.000 0.652 386 A CB -0.062 18.989 19.000 0.085 0.000 0.808 386 A HN 0.371 nan 8.150 nan 0.000 0.449 387 N N -0.517 118.215 118.700 0.054 0.000 2.707 387 N HA 0.210 4.961 4.740 0.017 0.000 0.249 387 N C -1.557 173.985 175.510 0.052 0.000 1.299 387 N CA -0.366 52.700 53.050 0.026 0.000 0.769 387 N CB 0.286 38.751 38.487 -0.037 0.000 1.236 387 N HN 0.452 nan 8.380 nan 0.000 0.524 388 H N 1.858 120.914 119.070 -0.023 0.000 2.472 388 H HA 0.649 5.215 4.556 0.017 0.000 0.335 388 H C -0.561 174.744 175.328 -0.038 0.000 1.136 388 H CA -0.393 55.641 56.048 -0.023 0.000 1.264 388 H CB 1.265 31.014 29.762 -0.023 0.000 1.486 388 H HN 0.431 nan 8.280 nan 0.000 0.517 389 I N 3.393 123.648 120.570 -0.525 0.000 2.582 389 I HA 0.220 4.400 4.170 0.017 0.000 0.292 389 I C -1.196 174.664 176.117 -0.427 0.000 1.066 389 I CA -0.882 60.217 61.300 -0.335 0.000 1.053 389 I CB 1.640 39.485 38.000 -0.259 0.000 1.241 389 I HN 0.584 nan 8.210 nan 0.000 0.421 390 Q N 8.678 128.379 119.800 -0.166 0.000 2.349 390 Q HA 0.273 4.623 4.340 0.017 0.000 0.254 390 Q C -1.970 173.880 176.000 -0.249 0.000 0.980 390 Q CA -1.911 53.819 55.803 -0.123 0.000 0.924 390 Q CB 1.294 30.024 28.738 -0.014 0.000 1.209 390 Q HN 0.474 nan 8.270 nan 0.000 0.445 391 P HA -0.169 nan 4.420 nan 0.000 0.220 391 P C 0.471 177.370 177.300 -0.669 0.000 1.148 391 P CA 1.208 63.865 63.100 -0.738 0.000 0.803 391 P CB 0.370 31.297 31.700 -1.288 0.000 0.782 392 D N -0.364 119.812 120.400 -0.373 0.000 2.349 392 D HA -0.101 4.549 4.640 0.017 0.000 0.215 392 D C 1.765 177.955 176.300 -0.182 0.000 1.016 392 D CA 0.346 54.176 54.000 -0.282 0.000 0.870 392 D CB -0.436 40.040 40.800 -0.540 0.000 0.917 392 D HN 0.119 nan 8.370 nan 0.000 0.524 393 E N 1.057 121.167 120.200 -0.151 0.000 2.047 393 E HA -0.136 4.224 4.350 0.017 0.000 0.191 393 E C -0.262 176.291 176.600 -0.079 0.000 0.987 393 E CA 1.145 57.492 56.400 -0.089 0.000 0.799 393 E CB 0.100 29.754 29.700 -0.077 0.000 0.752 393 E HN 0.131 nan 8.360 nan 0.000 0.449 394 D N -1.094 119.240 120.400 -0.110 0.000 2.365 394 D HA 0.060 4.710 4.640 0.017 0.000 0.235 394 D C 0.500 176.713 176.300 -0.145 0.000 1.368 394 D CA -0.235 53.707 54.000 -0.097 0.000 1.001 394 D CB 1.165 41.916 40.800 -0.081 0.000 1.364 394 D HN -0.047 nan 8.370 nan 0.000 0.577 395 V N 4.475 124.301 119.914 -0.146 0.000 2.380 395 V HA -0.255 3.875 4.120 0.017 0.000 0.251 395 V C 2.434 178.340 176.094 -0.314 0.000 1.063 395 V CA 1.902 64.049 62.300 -0.254 0.000 1.055 395 V CB -0.299 31.343 31.823 -0.301 0.000 0.657 395 V HN 0.513 nan 8.190 nan 0.000 0.455 396 R N -0.270 120.100 120.500 -0.217 0.000 2.075 396 R HA -0.184 4.166 4.340 0.017 0.000 0.232 396 R C 2.350 178.554 176.300 -0.159 0.000 1.126 396 R CA 1.568 57.556 56.100 -0.185 0.000 0.963 396 R CB -0.296 29.940 30.300 -0.107 0.000 0.858 396 R HN 0.521 nan 8.270 nan 0.000 0.435 397 E N 0.175 120.292 120.200 -0.139 0.000 2.110 397 E HA -0.132 4.228 4.350 0.017 0.000 0.193 397 E C 1.534 178.044 176.600 -0.151 0.000 0.988 397 E CA 1.881 58.207 56.400 -0.122 0.000 0.804 397 E CB -0.040 29.596 29.700 -0.106 0.000 0.745 397 E HN 0.174 nan 8.360 nan 0.000 0.458 398 T N 0.720 115.151 114.554 -0.205 0.000 2.777 398 T HA -0.080 4.280 4.350 0.017 0.000 0.266 398 T C 1.844 176.427 174.700 -0.194 0.000 1.040 398 T CA 1.222 63.179 62.100 -0.238 0.000 1.141 398 T CB -0.261 68.403 68.868 -0.340 0.000 0.868 398 T HN 0.120 nan 8.240 nan 0.000 0.444 399 L N 0.840 121.923 121.223 -0.233 0.000 2.083 399 L HA -0.111 4.239 4.340 0.017 0.000 0.209 399 L C 2.759 179.560 176.870 -0.115 0.000 1.083 399 L CA 1.347 56.068 54.840 -0.198 0.000 0.752 399 L CB -0.467 41.405 42.059 -0.312 0.000 0.899 399 L HN 0.228 nan 8.230 nan 0.000 0.433 400 K N 0.461 120.793 120.400 -0.114 0.000 2.026 400 K HA -0.221 4.109 4.320 0.017 0.000 0.208 400 K C 2.126 178.700 176.600 -0.043 0.000 1.048 400 K CA 1.516 57.758 56.287 -0.075 0.000 0.929 400 K CB -0.114 32.346 32.500 -0.067 0.000 0.713 400 K HN 0.267 nan 8.250 nan 0.000 0.439 401 A N 0.816 123.605 122.820 -0.052 0.000 1.908 401 A HA -0.116 4.214 4.320 0.017 0.000 0.218 401 A C 2.270 179.865 177.584 0.019 0.000 1.181 401 A CA 1.733 53.752 52.037 -0.030 0.000 0.627 401 A CB -0.658 18.301 19.000 -0.069 0.000 0.818 401 A HN 0.196 nan 8.150 nan 0.000 0.445 402 V N -0.131 119.800 119.914 0.028 0.000 2.295 402 V HA -0.181 3.950 4.120 0.017 0.000 0.246 402 V C 2.832 179.058 176.094 0.219 0.000 1.049 402 V CA 2.018 64.399 62.300 0.135 0.000 1.024 402 V CB -1.480 30.431 31.823 0.147 0.000 0.648 402 V HN 0.611 nan 8.190 nan 0.000 0.447 403 G N -1.275 107.552 108.800 0.045 0.000 2.422 403 G HA2 -0.259 3.711 3.960 0.017 0.000 0.218 403 G HA3 -0.259 3.711 3.960 0.017 0.000 0.218 403 G C 1.452 176.300 174.900 -0.086 0.000 1.146 403 G CA 0.533 45.517 45.100 -0.193 0.000 0.769 403 G HN 0.547 nan 8.290 nan 0.000 0.547 404 Q N -0.381 119.434 119.800 0.026 0.000 2.500 404 Q HA 0.144 4.494 4.340 0.017 0.000 0.213 404 Q C 2.375 178.484 176.000 0.180 0.000 0.974 404 Q CA 0.114 55.980 55.803 0.106 0.000 0.918 404 Q CB -0.102 28.730 28.738 0.155 0.000 0.980 404 Q HN 0.467 nan 8.270 nan 0.000 0.505 405 L N -0.634 120.715 121.223 0.211 0.000 2.201 405 L HA -0.052 4.298 4.340 0.017 0.000 0.212 405 L C 0.870 177.996 176.870 0.427 0.000 1.105 405 L CA 0.576 55.622 54.840 0.342 0.000 0.775 405 L CB 0.186 42.516 42.059 0.451 0.000 0.913 405 L HN 0.019 nan 8.230 nan 0.000 0.440 406 A N -0.801 122.186 122.820 0.278 0.000 3.277 406 A HA 0.457 4.787 4.320 0.017 0.000 0.281 406 A C -2.634 174.969 177.584 0.032 0.000 1.179 406 A CA -0.882 51.294 52.037 0.232 0.000 0.879 406 A CB -0.101 18.996 19.000 0.161 0.000 1.374 406 A HN -0.161 nan 8.150 nan 0.000 0.590 407 P HA 0.294 nan 4.420 nan 0.000 0.265 407 P C 1.236 178.493 177.300 -0.072 0.000 1.193 407 P CA 2.130 65.192 63.100 -0.063 0.000 0.765 407 P CB 0.777 32.474 31.700 -0.004 0.000 0.823 408 G N 2.272 110.986 108.800 -0.145 0.000 2.166 408 G HA2 -0.306 3.665 3.960 0.017 0.000 0.260 408 G HA3 -0.306 3.665 3.960 0.017 0.000 0.260 408 G C 0.782 175.635 174.900 -0.078 0.000 0.986 408 G CA 0.866 45.905 45.100 -0.101 0.000 0.683 408 G HN 0.671 nan 8.290 nan 0.000 0.527 409 T N -2.732 111.755 114.554 -0.112 0.000 2.990 409 T HA 0.585 4.945 4.350 0.017 0.000 0.250 409 T C 0.502 175.256 174.700 0.089 0.000 1.041 409 T CA 0.976 63.084 62.100 0.014 0.000 1.010 409 T CB 0.190 69.120 68.868 0.103 0.000 1.003 409 T HN 1.561 nan 8.240 nan 0.000 0.499 410 F N -0.709 119.210 119.950 -0.052 0.000 2.668 410 F HA 0.828 5.365 4.527 0.016 0.000 0.309 410 F C -0.498 175.292 175.800 -0.017 0.000 1.117 410 F CA -1.678 56.294 58.000 -0.047 0.000 0.951 410 F CB 0.946 39.892 39.000 -0.090 0.000 1.323 410 F HN 0.098 nan 8.300 nan 0.000 0.451 411 G N 0.764 109.710 108.800 0.244 0.000 2.432 411 G HA2 0.597 4.567 3.960 0.017 0.000 0.331 411 G HA3 0.597 4.567 3.960 0.017 0.000 0.331 411 G C -1.853 173.256 174.900 0.348 0.000 1.170 411 G CA -1.174 44.045 45.100 0.198 0.000 0.943 411 G HN 0.689 nan 8.290 nan 0.000 0.483 412 V N 1.615 121.721 119.914 0.320 0.000 2.383 412 V HA 0.222 4.352 4.120 0.017 0.000 0.275 412 V C 0.854 177.151 176.094 0.339 0.000 1.036 412 V CA -0.373 62.137 62.300 0.349 0.000 0.889 412 V CB 1.352 33.385 31.823 0.350 0.000 0.985 412 V HN 0.882 nan 8.190 nan 0.000 0.459 413 K N 3.328 123.871 120.400 0.239 0.000 2.262 413 K HA 0.214 4.544 4.320 0.017 0.000 0.200 413 K C 0.857 177.540 176.600 0.137 0.000 1.049 413 K CA 0.491 56.869 56.287 0.150 0.000 0.979 413 K CB 0.472 33.025 32.500 0.088 0.000 0.773 413 K HN 0.494 nan 8.250 nan 0.000 0.474 414 R N 0.524 121.164 120.500 0.234 0.000 2.594 414 R HA 0.324 4.674 4.340 0.017 0.000 0.265 414 R C -1.865 174.624 176.300 0.315 0.000 1.070 414 R CA -0.427 55.802 56.100 0.215 0.000 0.909 414 R CB 1.162 31.501 30.300 0.065 0.000 1.243 414 R HN -0.056 nan 8.270 nan 0.000 0.455 415 L N 3.636 125.097 121.223 0.396 0.000 2.346 415 L HA 0.712 5.062 4.340 0.017 0.000 0.274 415 L C -0.803 176.174 176.870 0.178 0.000 1.007 415 L CA -1.162 53.883 54.840 0.342 0.000 0.818 415 L CB 2.236 44.554 42.059 0.433 0.000 1.284 415 L HN 0.289 nan 8.230 nan 0.000 0.424 416 V N 3.244 123.263 119.914 0.176 0.000 2.623 416 V HA 0.614 4.744 4.120 0.017 0.000 0.304 416 V C -0.840 175.433 176.094 0.299 0.000 1.054 416 V CA -0.588 61.705 62.300 -0.013 0.000 0.882 416 V CB 1.589 33.175 31.823 -0.396 0.000 1.002 416 V HN 0.660 nan 8.190 nan 0.000 0.424 417 F N 1.730 121.787 119.950 0.177 0.000 2.741 417 F HA 0.810 5.347 4.527 0.016 0.000 0.311 417 F C -1.224 174.724 175.800 0.246 0.000 1.149 417 F CA -1.045 57.072 58.000 0.195 0.000 0.930 417 F CB 1.660 40.725 39.000 0.108 0.000 1.312 417 F HN 0.552 nan 8.300 nan 0.000 0.450 418 H N 0.897 120.146 119.070 0.298 0.000 2.600 418 H HA 0.420 4.986 4.556 0.017 0.000 0.357 418 H C -1.431 173.899 175.328 0.004 0.000 1.106 418 H CA -0.791 55.306 56.048 0.083 0.000 1.193 418 H CB 1.396 31.014 29.762 -0.239 0.000 1.594 418 H HN 0.759 nan 8.280 nan 0.000 0.526 419 N N 4.643 123.103 118.700 -0.399 0.000 2.482 419 N HA -0.017 4.733 4.740 0.017 0.000 0.242 419 N C 0.006 175.323 175.510 -0.321 0.000 1.100 419 N CA -0.139 52.788 53.050 -0.205 0.000 0.946 419 N CB 0.081 38.552 38.487 -0.027 0.000 1.227 419 N HN 0.729 nan 8.380 nan 0.000 0.508 420 W N 2.672 124.064 121.300 0.154 0.000 2.402 420 W HA -0.076 4.594 4.660 0.016 0.000 0.286 420 W C 2.024 178.634 176.519 0.152 0.000 1.221 420 W CA 0.055 57.551 57.345 0.253 0.000 1.257 420 W CB 0.039 29.689 29.460 0.316 0.000 1.120 420 W HN 0.334 nan 8.180 nan 0.000 0.551 421 V N 0.815 120.906 119.914 0.295 0.000 2.307 421 V HA -0.264 3.866 4.120 0.017 0.000 0.245 421 V C 1.896 178.051 176.094 0.101 0.000 1.045 421 V CA 1.825 64.228 62.300 0.171 0.000 1.024 421 V CB -0.613 31.291 31.823 0.137 0.000 0.651 421 V HN 0.164 nan 8.190 nan 0.000 0.449 422 K N -0.287 120.155 120.400 0.070 0.000 2.426 422 K HA 0.034 4.364 4.320 0.017 0.000 0.193 422 K C 0.525 177.129 176.600 0.008 0.000 1.028 422 K CA -0.094 56.209 56.287 0.026 0.000 1.047 422 K CB -0.003 32.508 32.500 0.019 0.000 0.821 422 K HN 0.342 nan 8.250 nan 0.000 0.513 423 D N 2.893 123.319 120.400 0.043 0.000 2.389 423 D HA -0.080 4.571 4.640 0.017 0.000 0.263 423 D C 0.958 177.268 176.300 0.017 0.000 1.255 423 D CA 0.205 54.247 54.000 0.069 0.000 0.914 423 D CB 0.762 41.723 40.800 0.269 0.000 1.116 423 D HN 0.321 nan 8.370 nan 0.000 0.502 424 E N 2.838 122.917 120.200 -0.201 0.000 2.333 424 E HA -0.200 4.160 4.350 0.017 0.000 0.198 424 E C 0.517 176.916 176.600 -0.334 0.000 1.007 424 E CA 0.942 57.130 56.400 -0.354 0.000 0.845 424 E CB -0.250 29.090 29.700 -0.599 0.000 0.766 424 E HN 0.379 nan 8.360 nan 0.000 0.507 425 F N -0.154 119.886 119.950 0.150 0.000 2.641 425 F HA 0.508 5.045 4.527 0.017 0.000 0.302 425 F C 1.401 177.333 175.800 0.221 0.000 1.098 425 F CA -0.011 58.082 58.000 0.155 0.000 1.318 425 F CB 0.909 39.978 39.000 0.115 0.000 1.035 425 F HN 0.189 nan 8.300 nan 0.000 0.551 426 A N -0.401 122.644 122.820 0.375 0.000 1.780 426 A HA 0.216 4.546 4.320 0.017 0.000 0.208 426 A C 1.176 178.937 177.584 0.295 0.000 1.761 426 A CA -0.191 52.083 52.037 0.394 0.000 1.183 426 A CB 0.205 19.569 19.000 0.607 0.000 1.162 426 A HN 0.059 nan 8.150 nan 0.000 0.472 427 K N -0.088 120.448 120.400 0.226 0.000 3.071 427 K HA -0.105 4.225 4.320 0.017 0.000 0.262 427 K C 0.293 176.945 176.600 0.087 0.000 0.977 427 K CA 0.568 56.930 56.287 0.125 0.000 0.721 427 K CB -2.112 30.435 32.500 0.077 0.000 1.293 427 K HN 1.743 nan 8.250 nan 0.000 0.475 428 G N -1.946 106.962 108.800 0.179 0.000 2.347 428 G HA2 0.401 4.372 3.960 0.017 0.000 0.321 428 G HA3 0.401 4.372 3.960 0.017 0.000 0.321 428 G C -0.834 174.225 174.900 0.265 0.000 1.412 428 G CA -0.410 44.772 45.100 0.138 0.000 0.990 428 G HN 0.403 nan 8.290 nan 0.000 0.637 429 A N -0.504 122.398 122.820 0.135 0.000 2.951 429 A HA 0.847 5.177 4.320 0.017 0.000 0.239 429 A C 0.500 178.060 177.584 -0.041 0.000 1.623 429 A CA 0.218 52.218 52.037 -0.061 0.000 0.868 429 A CB -0.344 18.420 19.000 -0.393 0.000 1.712 429 A HN 2.204 nan 8.150 nan 0.000 0.558 430 W N -1.501 119.804 121.300 0.008 0.000 2.470 430 W HA 0.215 4.886 4.660 0.017 0.000 0.341 430 W C -0.338 176.102 176.519 -0.133 0.000 1.199 430 W CA -0.719 56.615 57.345 -0.018 0.000 1.339 430 W CB -0.399 29.059 29.460 -0.003 0.000 1.178 430 W HN 0.441 nan 8.180 nan 0.000 0.578 431 F N 5.207 125.055 119.950 -0.169 0.000 2.612 431 F HA 0.206 4.743 4.527 0.017 0.000 0.389 431 F C -0.718 175.152 175.800 0.117 0.000 1.055 431 F CA -0.046 57.690 58.000 -0.441 0.000 1.232 431 F CB -0.098 38.822 39.000 -0.133 0.000 1.044 431 F HN 0.352 nan 8.300 nan 0.000 0.560 432 F N 5.501 124.966 119.950 -0.808 0.000 2.574 432 F HA 0.397 4.934 4.527 0.017 0.000 0.313 432 F C -0.604 174.766 175.800 -0.716 0.000 1.130 432 F CA -0.676 57.013 58.000 -0.519 0.000 0.936 432 F CB 1.481 40.409 39.000 -0.120 0.000 1.219 432 F HN 0.511 nan 8.300 nan 0.000 0.445 433 S N 4.931 120.159 115.700 -0.786 0.000 2.616 433 S HA 0.659 5.139 4.470 0.017 0.000 0.277 433 S C -0.063 174.465 174.600 -0.121 0.000 1.234 433 S CA -0.958 56.971 58.200 -0.452 0.000 1.028 433 S CB 1.433 64.501 63.200 -0.220 0.000 0.988 433 S HN 0.736 nan 8.310 nan 0.000 0.522 434 R N 0.806 121.275 120.500 -0.051 0.000 2.707 434 R HA 0.335 4.685 4.340 0.017 0.000 0.270 434 R C -2.507 173.797 176.300 0.007 0.000 1.083 434 R CA -1.693 54.400 56.100 -0.010 0.000 1.182 434 R CB -0.406 29.897 30.300 0.004 0.000 1.084 434 R HN 0.431 nan 8.270 nan 0.000 0.528 435 P HA -0.031 nan 4.420 nan 0.000 0.267 435 P C 0.535 177.855 177.300 0.033 0.000 1.205 435 P CA 1.040 64.160 63.100 0.033 0.000 0.765 435 P CB 0.654 32.377 31.700 0.039 0.000 0.828 436 G N 3.651 112.472 108.800 0.036 0.000 2.205 436 G HA2 -0.394 3.576 3.960 0.017 0.000 0.261 436 G HA3 -0.394 3.576 3.960 0.017 0.000 0.261 436 G C 0.957 175.900 174.900 0.071 0.000 0.980 436 G CA 0.561 45.690 45.100 0.048 0.000 0.632 436 G HN 0.531 nan 8.290 nan 0.000 0.533 437 M N 0.415 120.060 119.600 0.074 0.000 2.086 437 M HA 0.014 4.504 4.480 0.017 0.000 0.261 437 M C 2.432 178.816 176.300 0.141 0.000 1.067 437 M CA 2.680 58.045 55.300 0.107 0.000 1.116 437 M CB -0.208 32.467 32.600 0.124 0.000 1.348 437 M HN 0.175 nan 8.290 nan 0.000 0.407 438 V N 0.933 120.936 119.914 0.149 0.000 2.307 438 V HA -0.237 3.893 4.120 0.017 0.000 0.245 438 V C 2.670 178.839 176.094 0.125 0.000 1.045 438 V CA 2.084 64.469 62.300 0.141 0.000 1.024 438 V CB -1.005 30.887 31.823 0.115 0.000 0.651 438 V HN 0.772 nan 8.190 nan 0.000 0.449 439 S N -0.172 115.617 115.700 0.148 0.000 2.382 439 S HA -0.290 4.190 4.470 0.017 0.000 0.228 439 S C 1.927 176.710 174.600 0.305 0.000 1.027 439 S CA 1.868 60.246 58.200 0.297 0.000 0.991 439 S CB -0.451 62.957 63.200 0.347 0.000 0.823 439 S HN 0.738 nan 8.310 nan 0.000 0.469 440 E N -0.013 120.290 120.200 0.172 0.000 2.107 440 E HA -0.063 4.297 4.350 0.017 0.000 0.191 440 E C 1.122 177.775 176.600 0.088 0.000 0.982 440 E CA 1.365 57.833 56.400 0.114 0.000 0.809 440 E CB 0.021 29.765 29.700 0.074 0.000 0.756 440 E HN 0.675 nan 8.360 nan 0.000 0.459 441 C N -0.267 119.083 119.300 0.084 0.000 3.364 441 C HA 0.225 4.695 4.460 0.017 0.000 0.340 441 C C 2.081 177.073 174.990 0.004 0.000 1.336 441 C CA -0.655 58.382 59.018 0.030 0.000 1.778 441 C CB -0.458 27.302 27.740 0.032 0.000 2.398 441 C HN 0.429 nan 8.230 nan 0.000 0.667 442 L N 1.787 123.039 121.223 0.048 0.000 2.013 442 L HA -0.224 4.126 4.340 0.017 0.000 0.212 442 L C 2.644 179.512 176.870 -0.003 0.000 1.073 442 L CA 2.126 56.980 54.840 0.022 0.000 0.753 442 L CB -0.719 41.362 42.059 0.037 0.000 0.890 442 L HN 0.438 nan 8.230 nan 0.000 0.432 443 Q N -1.131 118.692 119.800 0.039 0.000 2.061 443 Q HA -0.184 4.166 4.340 0.017 0.000 0.204 443 Q C 2.065 178.032 176.000 -0.056 0.000 0.984 443 Q CA 1.765 57.581 55.803 0.023 0.000 0.846 443 Q CB -0.505 28.272 28.738 0.066 0.000 0.902 443 Q HN 0.630 nan 8.270 nan 0.000 0.421 444 G N 0.961 109.712 108.800 -0.082 0.000 2.440 444 G HA2 -0.241 3.729 3.960 0.017 0.000 0.218 444 G HA3 -0.241 3.729 3.960 0.017 0.000 0.218 444 G C 1.344 176.064 174.900 -0.300 0.000 1.154 444 G CA 0.799 45.806 45.100 -0.155 0.000 0.767 444 G HN 0.340 nan 8.290 nan 0.000 0.552 445 L N -0.556 120.450 121.223 -0.361 0.000 2.291 445 L HA 0.085 4.435 4.340 0.017 0.000 0.214 445 L C 2.815 179.182 176.870 -0.840 0.000 1.120 445 L CA 0.591 55.001 54.840 -0.718 0.000 0.799 445 L CB -0.050 41.627 42.059 -0.637 0.000 0.925 445 L HN 0.146 nan 8.230 nan 0.000 0.446 446 R N -0.567 119.710 120.500 -0.372 0.000 2.334 446 R HA 0.072 4.422 4.340 0.017 0.000 0.216 446 R C 0.540 176.800 176.300 -0.068 0.000 0.905 446 R CA -0.161 55.849 56.100 -0.150 0.000 1.064 446 R CB 0.244 30.558 30.300 0.024 0.000 1.046 446 R HN 0.261 nan 8.270 nan 0.000 0.508 447 E N 2.532 122.663 120.200 -0.116 0.000 2.373 447 E HA -0.001 4.359 4.350 0.017 0.000 0.267 447 E C -0.452 176.169 176.600 0.034 0.000 1.032 447 E CA -0.226 56.150 56.400 -0.040 0.000 0.889 447 E CB 0.777 30.437 29.700 -0.066 0.000 0.984 447 E HN -0.096 nan 8.360 nan 0.000 0.425 448 K N 2.770 123.210 120.400 0.067 0.000 2.469 448 K HA -0.110 4.220 4.320 0.017 0.000 0.274 448 K C -0.595 176.108 176.600 0.171 0.000 0.983 448 K CA 0.170 56.522 56.287 0.108 0.000 0.974 448 K CB 0.422 32.960 32.500 0.063 0.000 0.913 448 K HN 0.585 nan 8.250 nan 0.000 0.493 449 H N 3.177 122.302 119.070 0.092 0.000 2.488 449 H HA 0.147 4.713 4.556 0.017 0.000 0.237 449 H C 0.438 175.807 175.328 0.068 0.000 1.395 449 H CA 0.420 56.527 56.048 0.099 0.000 1.491 449 H CB 0.203 30.105 29.762 0.233 0.000 1.567 449 H HN 1.046 nan 8.280 nan 0.000 0.508 450 G N 2.255 110.979 108.800 -0.128 0.000 2.634 450 G HA2 -0.423 3.547 3.960 0.017 0.000 0.318 450 G HA3 -0.423 3.547 3.960 0.017 0.000 0.318 450 G C 1.194 176.076 174.900 -0.029 0.000 1.207 450 G CA 0.357 45.394 45.100 -0.105 0.000 0.987 450 G HN 0.701 nan 8.290 nan 0.000 0.547 451 G N -0.527 108.262 108.800 -0.019 0.000 3.088 451 G HA2 0.446 4.417 3.960 0.017 0.000 0.212 451 G HA3 0.446 4.417 3.960 0.017 0.000 0.212 451 G C 0.233 175.135 174.900 0.003 0.000 1.173 451 G CA 1.089 46.190 45.100 0.002 0.000 0.779 451 G HN 1.124 nan 8.290 nan 0.000 0.540 452 V N 1.295 121.221 119.914 0.020 0.000 2.370 452 V HA 0.340 4.470 4.120 0.017 0.000 0.283 452 V C -0.296 175.755 176.094 -0.072 0.000 1.023 452 V CA -0.757 61.509 62.300 -0.056 0.000 0.857 452 V CB 1.840 33.614 31.823 -0.080 0.000 0.985 452 V HN -0.064 nan 8.190 nan 0.000 0.443 453 V N 5.743 125.591 119.914 -0.110 0.000 2.333 453 V HA 0.407 4.537 4.120 0.017 0.000 0.274 453 V C -0.367 175.692 176.094 -0.058 0.000 1.028 453 V CA -0.373 61.917 62.300 -0.017 0.000 0.851 453 V CB 0.841 32.670 31.823 0.011 0.000 1.000 453 V HN 0.645 nan 8.190 nan 0.000 0.456 454 F N 3.750 123.759 119.950 0.098 0.000 2.421 454 F HA 0.657 5.194 4.527 0.017 0.000 0.358 454 F C 0.640 176.738 175.800 0.497 0.000 1.115 454 F CA -0.053 58.073 58.000 0.210 0.000 1.160 454 F CB 1.159 40.122 39.000 -0.061 0.000 1.123 454 F HN 0.554 nan 8.300 nan 0.000 0.508 455 A N 4.603 127.800 122.820 0.628 0.000 2.398 455 A HA 0.705 5.035 4.320 0.017 0.000 0.301 455 A C -1.039 176.522 177.584 -0.038 0.000 1.041 455 A CA -0.555 51.702 52.037 0.368 0.000 0.711 455 A CB 1.539 20.633 19.000 0.157 0.000 1.240 455 A HN 0.699 nan 8.150 nan 0.000 0.420 456 N N 0.899 119.203 118.700 -0.660 0.000 2.815 456 N HA 0.060 4.810 4.740 0.017 0.000 0.253 456 N C 0.563 175.572 175.510 -0.834 0.000 1.202 456 N CA 0.240 52.791 53.050 -0.831 0.000 0.925 456 N CB 2.049 39.809 38.487 -1.213 0.000 1.622 456 N HN 0.458 nan 8.380 nan 0.000 0.497 457 S N 1.136 116.581 115.700 -0.425 0.000 2.402 457 S HA -0.161 4.319 4.470 0.017 0.000 0.233 457 S C 0.740 175.138 174.600 -0.337 0.000 1.030 457 S CA 1.847 59.897 58.200 -0.250 0.000 1.003 457 S CB -0.198 62.968 63.200 -0.057 0.000 0.813 457 S HN 0.582 nan 8.310 nan 0.000 0.477 458 D N 0.238 120.331 120.400 -0.512 0.000 2.228 458 D HA -0.122 4.528 4.640 0.017 0.000 0.203 458 D C 0.917 176.786 176.300 -0.717 0.000 0.988 458 D CA 1.223 54.885 54.000 -0.564 0.000 0.864 458 D CB -0.232 40.367 40.800 -0.336 0.000 0.928 458 D HN 0.924 nan 8.370 nan 0.000 0.469 459 W N -0.511 120.582 121.300 -0.345 0.000 2.075 459 W HA 0.738 5.408 4.660 0.017 0.000 0.332 459 W C -0.146 176.280 176.519 -0.155 0.000 0.905 459 W CA -1.236 55.925 57.345 -0.307 0.000 2.126 459 W CB -0.639 28.684 29.460 -0.228 0.000 1.143 459 W HN -0.150 nan 8.180 nan 0.000 0.542 460 A N 1.192 123.946 122.820 -0.110 0.000 2.366 460 A HA 0.419 4.749 4.320 0.017 0.000 0.250 460 A C 0.880 178.468 177.584 0.007 0.000 1.099 460 A CA 0.144 52.164 52.037 -0.029 0.000 0.794 460 A CB 0.631 19.608 19.000 -0.038 0.000 1.056 460 A HN 0.543 nan 8.150 nan 0.000 0.499 461 L N 0.050 121.299 121.223 0.044 0.000 2.316 461 L HA 0.174 4.524 4.340 0.017 0.000 0.207 461 L C 2.248 179.110 176.870 -0.013 0.000 1.070 461 L CA 0.919 55.787 54.840 0.047 0.000 0.820 461 L CB -0.580 41.559 42.059 0.134 0.000 0.992 461 L HN 0.854 nan 8.230 nan 0.000 0.466 462 G N -0.870 107.913 108.800 -0.028 0.000 2.568 462 G HA2 -0.115 3.855 3.960 0.017 0.000 0.212 462 G HA3 -0.115 3.855 3.960 0.017 0.000 0.212 462 G C -0.479 174.269 174.900 -0.254 0.000 1.821 462 G CA -0.388 44.483 45.100 -0.382 0.000 0.904 462 G HN 0.216 nan 8.290 nan 0.000 0.566 463 W N 2.700 123.938 121.300 -0.103 0.000 1.435 463 W HA 0.436 5.106 4.660 0.016 0.000 0.471 463 W C 1.068 177.653 176.519 0.109 0.000 0.590 463 W CA -0.836 56.391 57.345 -0.196 0.000 2.419 463 W CB -0.286 28.941 29.460 -0.388 0.000 1.251 463 W HN 0.096 nan 8.180 nan 0.000 0.338 464 R N 1.885 122.547 120.500 0.270 0.000 2.538 464 R HA 0.069 4.419 4.340 0.017 0.000 0.282 464 R C 1.349 177.896 176.300 0.412 0.000 1.009 464 R CA 1.516 57.753 56.100 0.228 0.000 1.063 464 R CB 0.505 30.855 30.300 0.083 0.000 0.945 464 R HN 0.448 nan 8.270 nan 0.000 0.414 465 S N 1.477 117.351 115.700 0.291 0.000 2.659 465 S HA -0.177 4.303 4.470 0.017 0.000 0.264 465 S C -0.320 174.283 174.600 0.005 0.000 1.310 465 S CA 0.754 59.114 58.200 0.266 0.000 1.262 465 S CB -2.056 61.436 63.200 0.487 0.000 1.548 465 S HN 0.503 nan 8.310 nan 0.000 0.657 466 F N 0.784 120.754 119.950 0.032 0.000 2.497 466 F HA 0.670 5.207 4.527 0.016 0.000 0.331 466 F C 1.991 177.796 175.800 0.010 0.000 1.060 466 F CA -0.761 57.214 58.000 -0.041 0.000 0.989 466 F CB 0.439 39.379 39.000 -0.100 0.000 1.245 466 F HN -0.029 nan 8.300 nan 0.000 0.486 467 I N 0.516 121.199 120.570 0.189 0.000 2.194 467 I HA -0.329 3.851 4.170 0.017 0.000 0.246 467 I C 2.273 178.456 176.117 0.110 0.000 1.093 467 I CA 1.624 63.001 61.300 0.127 0.000 1.355 467 I CB -0.292 37.733 38.000 0.042 0.000 1.046 467 I HN 0.720 nan 8.210 nan 0.000 0.413 468 D N 1.044 121.514 120.400 0.117 0.000 2.116 468 D HA -0.196 4.454 4.640 0.017 0.000 0.193 468 D C 2.141 178.536 176.300 0.158 0.000 0.998 468 D CA 1.880 55.959 54.000 0.131 0.000 0.836 468 D CB -0.097 40.689 40.800 -0.022 0.000 0.951 468 D HN 0.404 nan 8.370 nan 0.000 0.449 469 G N 0.549 109.463 108.800 0.190 0.000 2.422 469 G HA2 -0.173 3.797 3.960 0.017 0.000 0.218 469 G HA3 -0.173 3.797 3.960 0.017 0.000 0.218 469 G C 1.767 176.663 174.900 -0.006 0.000 1.146 469 G CA 1.305 46.463 45.100 0.096 0.000 0.769 469 G HN 0.446 nan 8.290 nan 0.000 0.547 470 A N 0.879 123.717 122.820 0.030 0.000 1.908 470 A HA 0.001 4.331 4.320 0.017 0.000 0.218 470 A C 2.395 179.982 177.584 0.006 0.000 1.181 470 A CA 1.410 53.449 52.037 0.004 0.000 0.627 470 A CB -0.351 18.700 19.000 0.085 0.000 0.818 470 A HN 0.391 nan 8.150 nan 0.000 0.445 471 I N -0.802 119.796 120.570 0.046 0.000 2.252 471 I HA -0.219 3.961 4.170 0.017 0.000 0.245 471 I C 2.528 178.645 176.117 -0.001 0.000 1.102 471 I CA 1.507 62.855 61.300 0.081 0.000 1.385 471 I CB -0.416 37.703 38.000 0.199 0.000 1.064 471 I HN 0.526 nan 8.210 nan 0.000 0.414 472 E N 1.270 121.337 120.200 -0.222 0.000 2.049 472 E HA -0.282 4.078 4.350 0.017 0.000 0.198 472 E C 2.027 178.527 176.600 -0.167 0.000 1.007 472 E CA 1.559 57.640 56.400 -0.532 0.000 0.809 472 E CB 0.076 29.370 29.700 -0.676 0.000 0.749 472 E HN 0.393 nan 8.360 nan 0.000 0.450 473 E N -0.531 119.608 120.200 -0.102 0.000 2.107 473 E HA -0.091 4.269 4.350 0.017 0.000 0.191 473 E C 2.012 178.612 176.600 0.001 0.000 0.982 473 E CA 0.903 57.277 56.400 -0.042 0.000 0.809 473 E CB -0.329 29.309 29.700 -0.105 0.000 0.756 473 E HN 0.443 nan 8.360 nan 0.000 0.459 474 G N 0.685 109.486 108.800 0.001 0.000 2.418 474 G HA2 -0.244 3.726 3.960 0.017 0.000 0.217 474 G HA3 -0.244 3.726 3.960 0.017 0.000 0.217 474 G C 1.692 176.624 174.900 0.054 0.000 1.158 474 G CA 1.417 46.535 45.100 0.029 0.000 0.771 474 G HN 0.226 nan 8.290 nan 0.000 0.545 475 T N 0.216 114.811 114.554 0.069 0.000 2.708 475 T HA -0.114 4.246 4.350 0.017 0.000 0.266 475 T C 2.306 177.049 174.700 0.072 0.000 1.037 475 T CA 1.315 63.469 62.100 0.091 0.000 1.146 475 T CB -0.139 68.808 68.868 0.132 0.000 0.865 475 T HN 0.310 nan 8.240 nan 0.000 0.435 476 R N 0.919 121.454 120.500 0.059 0.000 2.081 476 R HA -0.067 4.283 4.340 0.017 0.000 0.235 476 R C 2.613 178.947 176.300 0.056 0.000 1.131 476 R CA 1.469 57.607 56.100 0.062 0.000 0.960 476 R CB -0.472 29.868 30.300 0.067 0.000 0.856 476 R HN 0.382 nan 8.270 nan 0.000 0.436 477 A N 0.714 123.566 122.820 0.052 0.000 1.877 477 A HA -0.115 4.215 4.320 0.017 0.000 0.216 477 A C 2.368 179.955 177.584 0.005 0.000 1.186 477 A CA 1.745 53.804 52.037 0.037 0.000 0.620 477 A CB -0.827 18.195 19.000 0.037 0.000 0.822 477 A HN 0.548 nan 8.150 nan 0.000 0.443 478 A N -0.322 122.505 122.820 0.012 0.000 1.902 478 A HA -0.149 4.181 4.320 0.017 0.000 0.217 478 A C 2.176 179.759 177.584 -0.003 0.000 1.181 478 A CA 2.141 54.175 52.037 -0.006 0.000 0.623 478 A CB -0.458 18.564 19.000 0.038 0.000 0.818 478 A HN 0.484 nan 8.150 nan 0.000 0.443 479 R N -0.082 120.437 120.500 0.031 0.000 2.083 479 R HA -0.109 4.241 4.340 0.017 0.000 0.237 479 R C 1.861 178.176 176.300 0.024 0.000 1.137 479 R CA 2.166 58.291 56.100 0.041 0.000 0.951 479 R CB -1.131 29.202 30.300 0.055 0.000 0.851 479 R HN 0.245 nan 8.270 nan 0.000 0.434 480 V N -0.273 119.651 119.914 0.017 0.000 2.287 480 V HA -0.258 3.873 4.120 0.017 0.000 0.248 480 V C 2.337 178.416 176.094 -0.025 0.000 1.053 480 V CA 1.962 64.267 62.300 0.010 0.000 1.027 480 V CB -0.473 31.363 31.823 0.021 0.000 0.646 480 V HN 0.218 nan 8.190 nan 0.000 0.447 481 V N -0.488 119.381 119.914 -0.075 0.000 2.295 481 V HA -0.266 3.864 4.120 0.017 0.000 0.246 481 V C 2.299 178.269 176.094 -0.208 0.000 1.049 481 V CA 2.250 64.446 62.300 -0.174 0.000 1.024 481 V CB -0.488 31.169 31.823 -0.277 0.000 0.648 481 V HN 0.514 nan 8.190 nan 0.000 0.447 482 L N -0.294 120.840 121.223 -0.148 0.000 2.083 482 L HA -0.223 4.127 4.340 0.017 0.000 0.209 482 L C 2.574 179.509 176.870 0.109 0.000 1.083 482 L CA 1.814 56.687 54.840 0.055 0.000 0.752 482 L CB -0.222 41.941 42.059 0.174 0.000 0.899 482 L HN 0.410 nan 8.230 nan 0.000 0.433 483 E N -0.466 119.766 120.200 0.055 0.000 2.072 483 E HA -0.230 4.130 4.350 0.017 0.000 0.191 483 E C 2.026 178.657 176.600 0.051 0.000 0.985 483 E CA 1.387 57.821 56.400 0.056 0.000 0.801 483 E CB -0.011 29.714 29.700 0.042 0.000 0.750 483 E HN 0.574 nan 8.360 nan 0.000 0.452 484 E N -0.026 120.191 120.200 0.028 0.000 2.216 484 E HA -0.116 4.244 4.350 0.017 0.000 0.192 484 E C 1.591 178.218 176.600 0.045 0.000 0.988 484 E CA 0.469 56.885 56.400 0.026 0.000 0.834 484 E CB 0.259 29.963 29.700 0.006 0.000 0.772 484 E HN 0.082 nan 8.360 nan 0.000 0.479 485 L N -0.756 120.506 121.223 0.065 0.000 2.408 485 L HA 0.211 4.561 4.340 0.017 0.000 0.215 485 L C 1.079 178.066 176.870 0.195 0.000 1.081 485 L CA 1.141 56.061 54.840 0.132 0.000 0.840 485 L CB -0.231 41.917 42.059 0.149 0.000 1.002 485 L HN 0.131 nan 8.230 nan 0.000 0.468 486 G N -0.462 108.463 108.800 0.208 0.000 2.855 486 G HA2 -0.207 3.764 3.960 0.017 0.000 0.352 486 G HA3 -0.207 3.764 3.960 0.017 0.000 0.352 486 G C 0.098 175.105 174.900 0.178 0.000 1.415 486 G CA -0.327 44.874 45.100 0.168 0.000 0.871 486 G HN 0.378 nan 8.290 nan 0.000 0.543 487 T N 0.000 114.593 114.554 0.064 0.000 3.816 487 T HA 0.000 4.360 4.350 0.017 0.000 0.228 487 T CA 0.000 62.074 62.100 -0.043 0.000 1.349 487 T CB 0.000 68.828 68.868 -0.067 0.000 0.612 487 T HN 0.000 nan 8.240 nan 0.000 0.658