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 2owc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MELPRAFGLL LHPTSLPGPY GVGVLGQEAR DFLRFLKEAG GRYWQVLPLG DATA SEQUENCE PTGYGDSPYQ SFSAFAGNPY LIDLRPLAER GYVRLEDPGF PQGRVDYGLL DATA SEQUENCE YAWKWPALKE AFRGFKEKAS PEEREAFAAF REREAWWLED YALFMALKGA DATA SEQUENCE HGGLPWNRWP LPLRKREEKA LREAKSALAE EVAFHAFTQW LFFRQWGALK DATA SEQUENCE AEAEALGIRI IGDMPIFVAE DSAEVWAHPE WFHLDEEGRP TVVAGVPPDY DATA SEQUENCE FSETGQRWGN PLYRWDVLER EGFSFWIRRL EKALELFHLV RIDHFRGFEA DATA SEQUENCE YWEIPASCPT AVEGRWVKAP GEKLFQKIQE VFGEVPVLAE DLGVITPEVE DATA SEQUENCE ALRDRFGLPG MKVLQFAFDX XMENPFLPHN YPAHGRVVVY TGTHDNDTTL DATA SEQUENCE GWYRTATPHE KAFMARYLAD WGITFREEEE VPWALMHLGM KSVARLAVYP DATA SEQUENCE VQDVLALGSE ARMNYPGRPS GNWAWRLLPG ELSPEHGARL RAMAEATERL 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 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.331 55.300 0.051 0.000 0.988 1 M CB 0.000 32.634 32.600 0.057 0.000 1.302 2 E N 2.928 123.158 120.200 0.049 0.000 2.133 2 E HA 0.598 4.948 4.350 0.000 0.000 0.274 2 E C -1.670 174.965 176.600 0.059 0.000 0.930 2 E CA -0.431 55.995 56.400 0.043 0.000 0.770 2 E CB 1.832 31.556 29.700 0.042 0.000 1.104 2 E HN 0.780 nan 8.360 nan 0.000 0.403 3 L N 6.827 128.076 121.223 0.043 0.000 2.257 3 L HA 0.367 4.707 4.340 0.000 0.000 0.290 3 L C -1.868 175.033 176.870 0.053 0.000 1.044 3 L CA -1.703 53.162 54.840 0.041 0.000 0.810 3 L CB 1.350 43.401 42.059 -0.013 0.000 1.193 3 L HN 0.231 nan 8.230 nan 0.000 0.425 4 P HA 0.133 nan 4.420 nan 0.000 0.276 4 P C -0.879 176.463 177.300 0.071 0.000 1.252 4 P CA -0.797 62.353 63.100 0.084 0.000 0.802 4 P CB 0.874 32.639 31.700 0.108 0.000 1.035 5 R N 0.861 121.401 120.500 0.067 0.000 2.288 5 R HA 0.535 4.876 4.340 0.000 0.000 0.330 5 R C -0.555 175.800 176.300 0.092 0.000 1.069 5 R CA 0.088 56.228 56.100 0.066 0.000 0.941 5 R CB -0.556 29.785 30.300 0.069 0.000 0.998 5 R HN 0.674 nan 8.270 nan 0.000 0.452 6 A N 4.052 126.928 122.820 0.093 0.000 2.536 6 A HA 0.568 4.888 4.320 0.000 0.000 0.293 6 A C -1.647 176.035 177.584 0.164 0.000 1.119 6 A CA -0.820 51.303 52.037 0.144 0.000 0.654 6 A CB 0.845 19.957 19.000 0.186 0.000 1.291 6 A HN 0.682 nan 8.150 nan 0.000 0.439 7 F N -1.036 118.940 119.950 0.042 0.000 2.611 7 F HA 0.955 5.482 4.527 0.000 0.000 0.324 7 F C 0.112 175.951 175.800 0.064 0.000 1.061 7 F CA -0.153 57.831 58.000 -0.026 0.000 0.954 7 F CB 1.513 40.497 39.000 -0.027 0.000 1.301 7 F HN 1.191 nan 8.300 nan 0.000 0.482 8 G N 1.116 109.911 108.800 -0.008 0.000 2.721 8 G HA2 0.656 4.616 3.960 0.000 0.000 0.296 8 G HA3 0.656 4.616 3.960 0.000 0.000 0.296 8 G C -2.369 172.668 174.900 0.228 0.000 1.383 8 G CA -1.151 43.946 45.100 -0.005 0.000 0.788 8 G HN 0.831 nan 8.290 nan 0.000 0.500 9 L N -0.110 121.312 121.223 0.332 0.000 2.381 9 L HA 0.558 4.898 4.340 0.000 0.000 0.268 9 L C -1.108 176.079 176.870 0.528 0.000 0.997 9 L CA -0.968 54.147 54.840 0.458 0.000 0.818 9 L CB 2.315 44.729 42.059 0.591 0.000 1.310 9 L HN 0.435 nan 8.230 nan 0.000 0.416 10 L N 4.100 125.589 121.223 0.443 0.000 2.257 10 L HA 0.641 4.981 4.340 0.000 0.000 0.290 10 L C -1.201 175.925 176.870 0.427 0.000 1.044 10 L CA -0.146 54.941 54.840 0.412 0.000 0.810 10 L CB 1.166 43.429 42.059 0.341 0.000 1.193 10 L HN 0.511 nan 8.230 nan 0.000 0.425 11 L N 5.033 126.554 121.223 0.497 0.000 2.611 11 L HA 0.386 4.727 4.340 0.000 0.000 0.263 11 L C -1.129 176.030 176.870 0.482 0.000 0.969 11 L CA -0.369 54.725 54.840 0.424 0.000 0.894 11 L CB 0.989 43.120 42.059 0.120 0.000 1.229 11 L HN 0.709 nan 8.230 nan 0.000 0.416 12 H N 6.176 125.406 119.070 0.266 0.000 2.848 12 H HA 0.276 4.832 4.556 0.000 0.000 0.341 12 H C -1.874 173.594 175.328 0.232 0.000 1.060 12 H CA -1.075 55.093 56.048 0.199 0.000 1.444 12 H CB 1.280 31.148 29.762 0.177 0.000 1.446 12 H HN 0.429 nan 8.280 nan 0.000 0.583 13 P HA -0.177 nan 4.420 nan 0.000 0.219 13 P C 1.291 178.578 177.300 -0.021 0.000 1.146 13 P CA 2.116 65.256 63.100 0.066 0.000 0.808 13 P CB 0.009 31.788 31.700 0.133 0.000 0.779 14 T N -3.944 110.577 114.554 -0.056 0.000 2.849 14 T HA -0.110 4.241 4.350 0.000 0.000 0.270 14 T C 1.753 176.439 174.700 -0.024 0.000 1.066 14 T CA 1.569 63.690 62.100 0.035 0.000 1.130 14 T CB -1.282 67.719 68.868 0.222 0.000 0.864 14 T HN -0.001 nan 8.240 nan 0.000 0.481 15 S N 0.944 116.642 115.700 -0.003 0.000 2.561 15 S HA 0.308 4.778 4.470 0.000 0.000 0.225 15 S C 0.724 175.132 174.600 -0.320 0.000 0.977 15 S CA -0.185 57.903 58.200 -0.188 0.000 0.926 15 S CB -0.561 62.596 63.200 -0.072 0.000 0.769 15 S HN 0.469 nan 8.310 nan 0.000 0.533 16 L N 3.135 124.229 121.223 -0.214 0.000 2.483 16 L HA 0.169 4.510 4.340 0.000 0.000 0.276 16 L C -1.861 174.869 176.870 -0.234 0.000 1.213 16 L CA -1.572 53.128 54.840 -0.232 0.000 0.843 16 L CB 0.009 41.973 42.059 -0.158 0.000 1.107 16 L HN 0.032 nan 8.230 nan 0.000 0.487 17 P HA 0.439 nan 4.420 nan 0.000 0.276 17 P C -0.289 176.918 177.300 -0.157 0.000 1.261 17 P CA -0.097 62.886 63.100 -0.196 0.000 0.800 17 P CB 1.417 33.017 31.700 -0.167 0.000 1.066 18 G N -0.462 108.242 108.800 -0.160 0.000 2.351 18 G HA2 0.196 4.156 3.960 0.000 0.000 0.353 18 G HA3 0.196 4.156 3.960 0.000 0.000 0.353 18 G C -3.257 171.519 174.900 -0.207 0.000 1.358 18 G CA -0.829 44.180 45.100 -0.151 0.000 0.995 18 G HN 0.559 nan 8.290 nan 0.000 0.611 19 P HA 0.458 nan 4.420 nan 0.000 0.276 19 P C -0.318 176.728 177.300 -0.425 0.000 1.252 19 P CA 0.087 62.892 63.100 -0.492 0.000 0.802 19 P CB 0.257 31.466 31.700 -0.819 0.000 1.035 20 Y N -1.313 118.870 120.300 -0.194 0.000 4.457 20 Y HA -0.196 4.355 4.550 0.000 0.000 0.240 20 Y C 1.367 176.681 175.900 -0.977 0.000 1.133 20 Y CA 0.529 58.398 58.100 -0.385 0.000 2.074 20 Y CB -2.390 36.022 38.460 -0.081 0.000 1.625 20 Y HN 0.799 nan 8.280 nan 0.000 0.704 21 G N -1.378 106.783 108.800 -1.066 0.000 2.194 21 G HA2 -0.104 3.856 3.960 0.000 0.000 0.236 21 G HA3 -0.104 3.856 3.960 0.000 0.000 0.236 21 G C -0.258 174.172 174.900 -0.784 0.000 0.987 21 G CA 0.072 44.188 45.100 -1.640 0.000 0.635 21 G HN 1.219 nan 8.290 nan 0.000 0.520 22 V N -0.359 119.263 119.914 -0.487 0.000 3.167 22 V HA 0.741 4.862 4.120 0.000 0.000 0.293 22 V C 0.575 176.558 176.094 -0.186 0.000 1.379 22 V CA 0.278 62.390 62.300 -0.313 0.000 1.019 22 V CB 1.784 33.439 31.823 -0.280 0.000 1.115 22 V HN 1.466 nan 8.190 nan 0.000 0.442 23 G N 2.878 111.592 108.800 -0.143 0.000 2.432 23 G HA2 0.519 4.480 3.960 0.000 0.000 0.239 23 G HA3 0.519 4.480 3.960 0.000 0.000 0.239 23 G C -0.278 174.604 174.900 -0.029 0.000 1.291 23 G CA 0.580 45.625 45.100 -0.092 0.000 0.863 23 G HN 1.621 nan 8.290 nan 0.000 0.560 24 V N 0.392 120.301 119.914 -0.008 0.000 3.158 24 V HA 0.615 4.735 4.120 0.000 0.000 0.311 24 V C 0.278 176.392 176.094 0.033 0.000 1.181 24 V CA -1.316 61.001 62.300 0.028 0.000 1.054 24 V CB 1.799 33.641 31.823 0.031 0.000 1.085 24 V HN 0.563 nan 8.190 nan 0.000 0.446 25 L N 2.158 123.398 121.223 0.028 0.000 2.480 25 L HA 0.678 5.018 4.340 0.000 0.000 0.243 25 L C 0.774 177.617 176.870 -0.046 0.000 1.315 25 L CA 0.600 55.441 54.840 0.001 0.000 1.231 25 L CB -0.876 41.168 42.059 -0.025 0.000 1.444 25 L HN 1.042 nan 8.230 nan 0.000 0.409 26 G N -0.491 108.288 108.800 -0.035 0.000 3.137 26 G HA2 0.138 4.099 3.960 0.000 0.000 0.196 26 G HA3 0.138 4.099 3.960 0.000 0.000 0.196 26 G C 0.200 175.075 174.900 -0.042 0.000 1.135 26 G CA -0.100 44.976 45.100 -0.040 0.000 0.803 26 G HN 0.152 nan 8.290 nan 0.000 0.619 27 Q N -0.236 119.545 119.800 -0.032 0.000 2.084 27 Q HA -0.040 4.300 4.340 0.000 0.000 0.202 27 Q C 2.204 178.184 176.000 -0.034 0.000 0.978 27 Q CA 2.599 58.383 55.803 -0.032 0.000 0.844 27 Q CB -0.239 28.486 28.738 -0.022 0.000 0.898 27 Q HN 0.588 nan 8.270 nan 0.000 0.426 28 E N -0.190 119.989 120.200 -0.036 0.000 2.150 28 E HA -0.080 4.270 4.350 0.000 0.000 0.193 28 E C 1.787 178.365 176.600 -0.035 0.000 0.985 28 E CA 1.156 57.533 56.400 -0.039 0.000 0.814 28 E CB -0.423 29.241 29.700 -0.060 0.000 0.752 28 E HN 0.478 nan 8.360 nan 0.000 0.466 29 A N 1.122 123.913 122.820 -0.049 0.000 1.902 29 A HA -0.203 4.117 4.320 0.000 0.000 0.217 29 A C 2.042 179.573 177.584 -0.088 0.000 1.181 29 A CA 1.519 53.511 52.037 -0.075 0.000 0.623 29 A CB -0.337 18.630 19.000 -0.054 0.000 0.818 29 A HN 0.086 nan 8.150 nan 0.000 0.443 30 R N -0.414 120.041 120.500 -0.075 0.000 2.075 30 R HA -0.109 4.232 4.340 0.000 0.000 0.232 30 R C 1.569 177.834 176.300 -0.059 0.000 1.126 30 R CA 1.380 57.432 56.100 -0.080 0.000 0.963 30 R CB -0.460 29.799 30.300 -0.068 0.000 0.858 30 R HN 0.454 nan 8.270 nan 0.000 0.435 31 D N 0.354 120.739 120.400 -0.026 0.000 2.149 31 D HA -0.182 4.458 4.640 0.000 0.000 0.198 31 D C 1.524 177.846 176.300 0.037 0.000 0.990 31 D CA 1.020 55.022 54.000 0.004 0.000 0.839 31 D CB -0.236 40.571 40.800 0.012 0.000 0.948 31 D HN 0.103 nan 8.370 nan 0.000 0.460 32 F N 1.216 121.091 119.950 -0.126 0.000 2.146 32 F HA -0.062 4.465 4.527 0.000 0.000 0.298 32 F C 2.074 177.802 175.800 -0.120 0.000 1.096 32 F CA 0.950 58.864 58.000 -0.144 0.000 1.275 32 F CB -0.346 38.475 39.000 -0.297 0.000 1.008 32 F HN -0.126 nan 8.300 nan 0.000 0.480 33 L N -0.141 120.879 121.223 -0.337 0.000 2.079 33 L HA -0.221 4.119 4.340 0.000 0.000 0.210 33 L C 2.644 179.351 176.870 -0.271 0.000 1.081 33 L CA 1.548 56.159 54.840 -0.381 0.000 0.752 33 L CB -0.652 41.265 42.059 -0.237 0.000 0.896 33 L HN 0.078 nan 8.230 nan 0.000 0.433 34 R N -0.218 120.187 120.500 -0.160 0.000 2.073 34 R HA -0.206 4.134 4.340 0.000 0.000 0.234 34 R C 2.250 178.492 176.300 -0.097 0.000 1.134 34 R CA 1.603 57.641 56.100 -0.103 0.000 0.952 34 R CB -0.505 29.767 30.300 -0.048 0.000 0.850 34 R HN 0.238 nan 8.270 nan 0.000 0.433 35 F N 0.387 120.211 119.950 -0.211 0.000 2.095 35 F HA -0.245 4.282 4.527 0.000 0.000 0.298 35 F C 1.776 177.438 175.800 -0.230 0.000 1.104 35 F CA 1.557 59.450 58.000 -0.179 0.000 1.232 35 F CB -0.443 38.469 39.000 -0.147 0.000 0.987 35 F HN 0.108 nan 8.300 nan 0.000 0.475 36 L N 1.245 122.258 121.223 -0.350 0.000 2.017 36 L HA -0.184 4.157 4.340 0.000 0.000 0.208 36 L C 2.507 179.171 176.870 -0.343 0.000 1.073 36 L CA 2.444 57.037 54.840 -0.411 0.000 0.745 36 L CB -1.130 40.609 42.059 -0.534 0.000 0.894 36 L HN 0.310 nan 8.230 nan 0.000 0.432 37 K N -0.401 119.831 120.400 -0.280 0.000 2.057 37 K HA -0.212 4.109 4.320 0.000 0.000 0.207 37 K C 1.874 178.364 176.600 -0.184 0.000 1.049 37 K CA 2.000 58.162 56.287 -0.208 0.000 0.931 37 K CB -0.264 32.139 32.500 -0.162 0.000 0.714 37 K HN 0.476 nan 8.250 nan 0.000 0.440 38 E N -0.236 119.840 120.200 -0.207 0.000 2.268 38 E HA -0.107 4.243 4.350 0.000 0.000 0.195 38 E C 1.640 178.122 176.600 -0.197 0.000 0.995 38 E CA 0.759 57.053 56.400 -0.177 0.000 0.836 38 E CB 0.015 29.619 29.700 -0.159 0.000 0.763 38 E HN 0.494 nan 8.360 nan 0.000 0.491 39 A N 0.203 122.844 122.820 -0.299 0.000 2.208 39 A HA 0.220 4.540 4.320 0.000 0.000 0.209 39 A C 1.772 179.426 177.584 0.117 0.000 1.161 39 A CA 0.831 52.772 52.037 -0.160 0.000 0.782 39 A CB -0.262 18.565 19.000 -0.289 0.000 0.816 39 A HN 0.329 nan 8.150 nan 0.000 0.477 40 G N -1.957 106.851 108.800 0.013 0.000 2.157 40 G HA2 -0.044 3.917 3.960 0.000 0.000 0.248 40 G HA3 -0.044 3.917 3.960 0.000 0.000 0.248 40 G C 0.662 175.482 174.900 -0.134 0.000 0.979 40 G CA 0.228 45.369 45.100 0.068 0.000 0.650 40 G HN 1.388 nan 8.290 nan 0.000 0.529 41 G N -0.867 107.653 108.800 -0.467 0.000 2.467 41 G HA2 0.537 4.497 3.960 0.000 0.000 0.257 41 G HA3 0.537 4.497 3.960 0.000 0.000 0.257 41 G C 0.619 175.224 174.900 -0.493 0.000 1.227 41 G CA -0.311 44.178 45.100 -1.018 0.000 0.835 41 G HN 0.362 nan 8.290 nan 0.000 0.556 42 R N 0.194 120.455 120.500 -0.398 0.000 2.509 42 R HA 0.165 4.505 4.340 0.000 0.000 0.297 42 R C -0.846 175.185 176.300 -0.450 0.000 0.951 42 R CA 0.032 55.944 56.100 -0.314 0.000 1.103 42 R CB 0.762 30.926 30.300 -0.227 0.000 1.283 42 R HN 0.571 nan 8.270 nan 0.000 0.534 43 Y N -0.938 119.291 120.300 -0.118 0.000 2.492 43 Y HA 0.295 4.845 4.550 0.000 0.000 0.346 43 Y C -1.015 175.002 175.900 0.195 0.000 0.997 43 Y CA -1.292 56.831 58.100 0.038 0.000 1.025 43 Y CB 1.692 40.156 38.460 0.006 0.000 1.263 43 Y HN -0.027 nan 8.280 nan 0.000 0.454 44 W N 5.347 126.783 121.300 0.227 0.000 2.475 44 W HA 0.558 5.218 4.660 0.000 0.000 0.320 44 W C -1.397 175.301 176.519 0.298 0.000 1.022 44 W CA -1.334 56.184 57.345 0.287 0.000 1.240 44 W CB 1.430 31.077 29.460 0.313 0.000 1.328 44 W HN 0.555 nan 8.180 nan 0.000 0.439 45 Q N 4.839 124.794 119.800 0.258 0.000 2.256 45 Q HA 0.643 4.983 4.340 0.000 0.000 0.257 45 Q C -0.681 175.225 176.000 -0.158 0.000 0.936 45 Q CA -0.554 55.258 55.803 0.016 0.000 0.903 45 Q CB 1.849 30.683 28.738 0.161 0.000 1.263 45 Q HN 0.484 nan 8.270 nan 0.000 0.440 46 V N 1.082 120.821 119.914 -0.291 0.000 3.155 46 V HA 0.643 4.763 4.120 0.000 0.000 0.313 46 V C -0.521 175.494 176.094 -0.132 0.000 1.162 46 V CA -1.076 61.116 62.300 -0.179 0.000 1.048 46 V CB 1.356 32.981 31.823 -0.330 0.000 1.092 46 V HN 0.788 nan 8.190 nan 0.000 0.447 47 L N 0.054 121.285 121.223 0.014 0.000 2.472 47 L HA 0.596 4.936 4.340 0.000 0.000 0.256 47 L C -2.290 174.391 176.870 -0.315 0.000 1.111 47 L CA -2.091 52.558 54.840 -0.319 0.000 0.800 47 L CB 0.630 42.272 42.059 -0.694 0.000 1.286 47 L HN 0.394 nan 8.230 nan 0.000 0.479 48 P HA 0.003 nan 4.420 nan 0.000 0.265 48 P C -0.019 177.132 177.300 -0.248 0.000 1.187 48 P CA 0.383 63.232 63.100 -0.419 0.000 0.766 48 P CB 0.364 31.693 31.700 -0.618 0.000 0.820 49 L N 1.321 122.429 121.223 -0.191 0.000 2.818 49 L HA 0.280 4.621 4.340 0.000 0.000 0.243 49 L C 1.365 178.004 176.870 -0.384 0.000 1.185 49 L CA -0.155 54.558 54.840 -0.211 0.000 0.988 49 L CB -0.187 41.741 42.059 -0.218 0.000 1.292 49 L HN 0.462 nan 8.230 nan 0.000 0.519 50 G N 0.817 109.401 108.800 -0.360 0.000 2.562 50 G HA2 0.345 4.305 3.960 0.000 0.000 0.275 50 G HA3 0.345 4.305 3.960 0.000 0.000 0.275 50 G C -2.534 172.203 174.900 -0.272 0.000 1.196 50 G CA -0.945 43.927 45.100 -0.380 0.000 0.908 50 G HN -0.128 nan 8.290 nan 0.000 0.524 51 P HA 0.169 nan 4.420 nan 0.000 0.271 51 P C 0.152 177.447 177.300 -0.009 0.000 1.216 51 P CA 0.064 63.178 63.100 0.024 0.000 0.771 51 P CB 0.928 32.815 31.700 0.312 0.000 0.864 52 T N 0.022 114.582 114.554 0.010 0.000 2.945 52 T HA 0.738 5.088 4.350 0.000 0.000 0.286 52 T C 0.525 175.176 174.700 -0.081 0.000 1.025 52 T CA -0.598 61.423 62.100 -0.132 0.000 1.039 52 T CB 1.840 70.654 68.868 -0.091 0.000 1.068 52 T HN 0.447 nan 8.240 nan 0.000 0.497 53 G N -0.140 108.479 108.800 -0.302 0.000 3.286 53 G HA2 0.418 4.378 3.960 0.000 0.000 0.166 53 G HA3 0.418 4.378 3.960 0.000 0.000 0.166 53 G C -1.120 173.837 174.900 0.095 0.000 1.155 53 G CA -0.892 44.174 45.100 -0.057 0.000 0.871 53 G HN 0.785 nan 8.290 nan 0.000 0.637 54 Y N 1.510 121.816 120.300 0.009 0.000 2.650 54 Y HA 0.359 4.909 4.550 0.000 0.000 0.331 54 Y C 1.290 177.188 175.900 -0.004 0.000 1.165 54 Y CA 0.935 59.047 58.100 0.020 0.000 1.473 54 Y CB 0.326 38.805 38.460 0.031 0.000 1.224 54 Y HN 1.253 nan 8.280 nan 0.000 0.533 55 G N 4.092 112.718 108.800 -0.290 0.000 2.232 55 G HA2 -0.275 3.685 3.960 0.000 0.000 0.226 55 G HA3 -0.275 3.685 3.960 0.000 0.000 0.226 55 G C 0.289 175.130 174.900 -0.099 0.000 0.996 55 G CA 0.052 44.980 45.100 -0.287 0.000 0.626 55 G HN 0.804 nan 8.290 nan 0.000 0.509 56 D N -0.587 119.700 120.400 -0.189 0.000 3.076 56 D HA -0.169 4.471 4.640 0.000 0.000 0.218 56 D C 0.511 176.474 176.300 -0.562 0.000 1.156 56 D CA 1.650 55.433 54.000 -0.362 0.000 0.921 56 D CB -1.666 38.664 40.800 -0.783 0.000 1.113 56 D HN 1.046 nan 8.370 nan 0.000 0.418 57 S N 0.473 115.819 115.700 -0.589 0.000 2.499 57 S HA 0.333 4.803 4.470 0.000 0.000 0.275 57 S C -1.361 172.725 174.600 -0.857 0.000 1.257 57 S CA -1.232 56.315 58.200 -1.088 0.000 1.050 57 S CB 1.634 64.579 63.200 -0.425 0.000 0.937 57 S HN -0.202 nan 8.310 nan 0.000 0.490 58 P HA -0.062 nan 4.420 nan 0.000 0.221 58 P C -0.036 176.762 177.300 -0.838 0.000 1.145 58 P CA 1.183 63.756 63.100 -0.879 0.000 0.795 58 P CB -0.048 30.979 31.700 -1.121 0.000 0.775 59 Y N -1.386 118.600 120.300 -0.522 0.000 2.471 59 Y HA 0.204 4.755 4.550 0.000 0.000 0.286 59 Y C 1.194 176.929 175.900 -0.276 0.000 1.188 59 Y CA 0.199 58.093 58.100 -0.342 0.000 1.286 59 Y CB -0.025 38.255 38.460 -0.299 0.000 1.072 59 Y HN -0.019 nan 8.280 nan 0.000 0.517 60 Q N 0.670 120.337 119.800 -0.222 0.000 3.244 60 Q HA 0.283 4.623 4.340 0.000 0.000 0.249 60 Q C -0.889 174.937 176.000 -0.290 0.000 0.951 60 Q CA -0.225 55.459 55.803 -0.198 0.000 0.740 60 Q CB 0.804 29.443 28.738 -0.166 0.000 1.334 60 Q HN 0.102 nan 8.270 nan 0.000 0.448 61 S N 1.012 116.555 115.700 -0.262 0.000 2.578 61 S HA 0.400 4.870 4.470 0.000 0.000 0.283 61 S C 0.543 175.026 174.600 -0.195 0.000 1.195 61 S CA -0.523 57.506 58.200 -0.284 0.000 1.050 61 S CB 0.508 63.566 63.200 -0.238 0.000 1.012 61 S HN 0.636 nan 8.310 nan 0.000 0.511 62 F N 2.142 122.114 119.950 0.036 0.000 2.494 62 F HA 0.093 4.621 4.527 0.000 0.000 0.298 62 F C 1.510 177.283 175.800 -0.046 0.000 1.106 62 F CA 0.343 58.390 58.000 0.079 0.000 1.452 62 F CB 0.281 39.476 39.000 0.326 0.000 1.085 62 F HN 0.439 nan 8.300 nan 0.000 0.569 63 S N -1.282 114.461 115.700 0.072 0.000 2.535 63 S HA 0.610 5.080 4.470 0.000 0.000 0.272 63 S C 0.270 174.753 174.600 -0.195 0.000 1.149 63 S CA -0.332 57.846 58.200 -0.037 0.000 0.888 63 S CB 1.436 64.611 63.200 -0.043 0.000 1.110 63 S HN 0.027 nan 8.310 nan 0.000 0.463 64 A N 2.834 125.500 122.820 -0.257 0.000 2.167 64 A HA 0.292 4.612 4.320 0.000 0.000 0.214 64 A C 0.776 177.865 177.584 -0.825 0.000 1.151 64 A CA 0.794 52.524 52.037 -0.511 0.000 0.735 64 A CB -0.558 18.119 19.000 -0.540 0.000 0.802 64 A HN 0.770 nan 8.150 nan 0.000 0.467 65 F N -1.077 118.613 119.950 -0.432 0.000 2.711 65 F HA 0.434 4.961 4.527 0.000 0.000 0.296 65 F C 1.511 176.715 175.800 -0.994 0.000 1.096 65 F CA 0.078 57.577 58.000 -0.834 0.000 1.280 65 F CB 0.052 38.198 39.000 -1.423 0.000 1.060 65 F HN 0.138 nan 8.300 nan 0.000 0.608 66 A N 0.839 123.235 122.820 -0.708 0.000 2.346 66 A HA 0.572 4.892 4.320 0.000 0.000 0.252 66 A C 0.551 177.780 177.584 -0.593 0.000 1.089 66 A CA 0.330 52.009 52.037 -0.597 0.000 0.797 66 A CB -0.348 18.096 19.000 -0.927 0.000 1.047 66 A HN 0.252 nan 8.150 nan 0.000 0.494 67 G N 0.009 108.299 108.800 -0.851 0.000 2.441 67 G HA2 0.430 4.390 3.960 0.000 0.000 0.334 67 G HA3 0.430 4.390 3.960 0.000 0.000 0.334 67 G C -0.373 173.820 174.900 -1.178 0.000 1.161 67 G CA -0.627 43.361 45.100 -1.853 0.000 0.935 67 G HN 0.691 nan 8.290 nan 0.000 0.488 68 N N 1.289 119.371 118.700 -1.030 0.000 2.405 68 N HA 0.214 4.954 4.740 0.000 0.000 0.260 68 N C -1.490 173.887 175.510 -0.221 0.000 1.152 68 N CA -2.061 50.757 53.050 -0.386 0.000 0.948 68 N CB 1.756 40.135 38.487 -0.179 0.000 1.111 68 N HN -0.004 nan 8.380 nan 0.000 0.485 69 P HA -0.102 nan 4.420 nan 0.000 0.221 69 P C 0.656 177.844 177.300 -0.187 0.000 1.145 69 P CA 1.181 64.129 63.100 -0.253 0.000 0.795 69 P CB -0.028 31.384 31.700 -0.481 0.000 0.775 70 Y N -0.994 119.221 120.300 -0.142 0.000 2.403 70 Y HA -0.090 4.461 4.550 0.000 0.000 0.291 70 Y C 1.914 177.802 175.900 -0.018 0.000 1.143 70 Y CA 0.058 58.110 58.100 -0.081 0.000 1.257 70 Y CB -0.511 37.968 38.460 0.031 0.000 0.984 70 Y HN -0.081 nan 8.280 nan 0.000 0.550 71 L N 0.061 121.388 121.223 0.172 0.000 2.558 71 L HA 0.040 4.380 4.340 0.000 0.000 0.225 71 L C 0.343 177.276 176.870 0.105 0.000 1.128 71 L CA 0.008 54.940 54.840 0.153 0.000 0.868 71 L CB -0.097 42.098 42.059 0.227 0.000 1.006 71 L HN 0.138 nan 8.230 nan 0.000 0.454 72 I N 0.739 121.352 120.570 0.072 0.000 2.533 72 I HA -0.059 4.111 4.170 0.000 0.000 0.284 72 I C 0.421 176.540 176.117 0.004 0.000 1.109 72 I CA 0.048 61.348 61.300 -0.000 0.000 1.412 72 I CB 0.330 38.298 38.000 -0.054 0.000 1.396 72 I HN -0.035 nan 8.210 nan 0.000 0.543 73 D N 6.749 127.139 120.400 -0.016 0.000 2.343 73 D HA 0.125 4.765 4.640 0.000 0.000 0.255 73 D C 0.711 177.013 176.300 0.003 0.000 1.187 73 D CA 0.061 54.067 54.000 0.010 0.000 0.875 73 D CB 1.135 41.931 40.800 -0.006 0.000 1.136 73 D HN 0.398 nan 8.370 nan 0.000 0.469 74 L N 3.648 124.890 121.223 0.032 0.000 2.418 74 L HA 0.089 4.429 4.340 0.000 0.000 0.218 74 L C 2.383 179.258 176.870 0.008 0.000 1.125 74 L CA 0.119 54.964 54.840 0.007 0.000 0.835 74 L CB -0.023 42.018 42.059 -0.029 0.000 0.953 74 L HN 0.284 nan 8.230 nan 0.000 0.454 75 R N 0.465 120.987 120.500 0.038 0.000 2.081 75 R HA -0.137 4.203 4.340 0.000 0.000 0.235 75 R C -0.380 175.927 176.300 0.010 0.000 1.131 75 R CA 1.455 57.585 56.100 0.049 0.000 0.960 75 R CB -1.411 28.948 30.300 0.098 0.000 0.856 75 R HN 0.307 nan 8.270 nan 0.000 0.436 76 P HA -0.135 nan 4.420 nan 0.000 0.218 76 P C 0.980 178.250 177.300 -0.051 0.000 1.149 76 P CA 1.239 64.317 63.100 -0.036 0.000 0.817 76 P CB -0.010 31.660 31.700 -0.051 0.000 0.785 77 L N -1.131 120.091 121.223 -0.001 0.000 2.072 77 L HA -0.073 4.267 4.340 0.000 0.000 0.205 77 L C 2.527 179.380 176.870 -0.028 0.000 1.079 77 L CA 1.407 56.283 54.840 0.061 0.000 0.752 77 L CB -1.305 40.890 42.059 0.226 0.000 0.906 77 L HN -0.071 nan 8.230 nan 0.000 0.436 78 A N -0.007 122.809 122.820 -0.006 0.000 1.933 78 A HA -0.210 4.110 4.320 0.000 0.000 0.218 78 A C 2.186 179.739 177.584 -0.051 0.000 1.175 78 A CA 1.532 53.562 52.037 -0.012 0.000 0.628 78 A CB -0.408 18.594 19.000 0.004 0.000 0.814 78 A HN 0.433 nan 8.150 nan 0.000 0.444 79 E N -0.544 119.616 120.200 -0.066 0.000 2.153 79 E HA -0.139 4.211 4.350 0.000 0.000 0.194 79 E C 1.792 178.309 176.600 -0.138 0.000 0.988 79 E CA 0.776 57.131 56.400 -0.075 0.000 0.811 79 E CB -0.095 29.571 29.700 -0.057 0.000 0.746 79 E HN 0.526 nan 8.360 nan 0.000 0.466 80 R N -0.473 119.861 120.500 -0.277 0.000 2.320 80 R HA 0.067 4.408 4.340 0.000 0.000 0.211 80 R C 0.949 177.007 176.300 -0.404 0.000 0.931 80 R CA 0.465 56.294 56.100 -0.452 0.000 1.071 80 R CB 0.445 30.199 30.300 -0.911 0.000 1.025 80 R HN 0.184 nan 8.270 nan 0.000 0.495 81 G N 0.645 109.325 108.800 -0.199 0.000 2.160 81 G HA2 -0.317 3.643 3.960 0.000 0.000 0.251 81 G HA3 -0.317 3.643 3.960 0.000 0.000 0.251 81 G C 0.435 175.402 174.900 0.112 0.000 1.008 81 G CA 0.230 45.309 45.100 -0.035 0.000 0.724 81 G HN 0.537 nan 8.290 nan 0.000 0.514 82 Y N -1.607 118.733 120.300 0.066 0.000 2.420 82 Y HA 0.395 4.946 4.550 0.000 0.000 0.292 82 Y C 1.562 177.491 175.900 0.048 0.000 1.119 82 Y CA 0.625 58.773 58.100 0.080 0.000 1.229 82 Y CB 0.623 39.181 38.460 0.164 0.000 1.026 82 Y HN 0.370 nan 8.280 nan 0.000 0.554 83 V N -0.046 119.973 119.914 0.175 0.000 3.147 83 V HA 0.435 4.555 4.120 0.000 0.000 0.299 83 V C -1.658 174.463 176.094 0.044 0.000 1.302 83 V CA -1.100 61.250 62.300 0.084 0.000 1.015 83 V CB 2.433 34.292 31.823 0.060 0.000 1.086 83 V HN 0.080 nan 8.190 nan 0.000 0.437 84 R N 4.455 124.972 120.500 0.028 0.000 2.295 84 R HA 0.723 5.063 4.340 0.000 0.000 0.324 84 R C -1.453 174.873 176.300 0.044 0.000 0.968 84 R CA -0.486 55.636 56.100 0.038 0.000 0.837 84 R CB 1.244 31.572 30.300 0.046 0.000 1.133 84 R HN 0.755 nan 8.270 nan 0.000 0.450 85 L N 3.842 125.097 121.223 0.054 0.000 2.289 85 L HA 0.453 4.793 4.340 0.000 0.000 0.285 85 L C -0.266 176.745 176.870 0.234 0.000 1.049 85 L CA -0.349 54.546 54.840 0.092 0.000 0.804 85 L CB 1.690 43.626 42.059 -0.205 0.000 1.195 85 L HN 0.625 nan 8.230 nan 0.000 0.428 86 E N 1.592 122.023 120.200 0.384 0.000 2.265 86 E HA 0.126 4.476 4.350 0.000 0.000 0.262 86 E C -1.387 175.406 176.600 0.321 0.000 0.889 86 E CA -0.738 55.859 56.400 0.328 0.000 0.789 86 E CB 2.070 31.909 29.700 0.232 0.000 1.221 86 E HN 0.445 nan 8.360 nan 0.000 0.414 87 D N 4.455 125.000 120.400 0.241 0.000 2.412 87 D HA 0.006 4.646 4.640 0.000 0.000 0.257 87 D C -1.113 175.070 176.300 -0.194 0.000 1.217 87 D CA -1.281 52.718 54.000 -0.003 0.000 0.897 87 D CB 0.954 41.751 40.800 -0.004 0.000 1.132 87 D HN 0.192 nan 8.370 nan 0.000 0.493 88 P HA 0.141 nan 4.420 nan 0.000 0.233 88 P C 0.255 177.310 177.300 -0.408 0.000 1.167 88 P CA 0.415 63.257 63.100 -0.430 0.000 0.770 88 P CB 0.322 31.662 31.700 -0.599 0.000 0.837 89 G N -0.251 108.276 108.800 -0.454 0.000 2.953 89 G HA2 -0.133 3.827 3.960 0.000 0.000 0.203 89 G HA3 -0.133 3.827 3.960 0.000 0.000 0.203 89 G C -0.557 174.146 174.900 -0.328 0.000 1.094 89 G CA -0.920 44.005 45.100 -0.292 0.000 1.016 89 G HN 0.121 nan 8.290 nan 0.000 0.535 90 F N 1.397 121.244 119.950 -0.171 0.000 2.418 90 F HA 0.492 5.019 4.527 0.000 0.000 0.341 90 F C -0.255 175.472 175.800 -0.121 0.000 1.120 90 F CA -1.408 56.497 58.000 -0.158 0.000 1.232 90 F CB 0.765 39.640 39.000 -0.209 0.000 1.175 90 F HN 0.151 nan 8.300 nan 0.000 0.569 91 P HA 0.055 nan 4.420 nan 0.000 0.273 91 P C -1.297 176.004 177.300 0.002 0.000 1.250 91 P CA -0.498 62.623 63.100 0.036 0.000 0.793 91 P CB 0.623 32.346 31.700 0.037 0.000 1.011 92 Q N -0.314 119.477 119.800 -0.016 0.000 2.243 92 Q HA 0.386 4.726 4.340 0.000 0.000 0.252 92 Q C 1.147 177.119 176.000 -0.048 0.000 0.909 92 Q CA 0.326 56.104 55.803 -0.042 0.000 0.922 92 Q CB 1.095 29.815 28.738 -0.029 0.000 1.215 92 Q HN 0.921 nan 8.270 nan 0.000 0.427 93 G N 2.555 111.293 108.800 -0.102 0.000 2.162 93 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 93 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 93 G C 0.067 174.889 174.900 -0.131 0.000 0.976 93 G CA 0.765 45.786 45.100 -0.132 0.000 0.655 93 G HN 0.669 nan 8.290 nan 0.000 0.533 94 R N -1.651 118.787 120.500 -0.103 0.000 2.629 94 R HA 0.604 4.945 4.340 0.000 0.000 0.266 94 R C -0.964 175.275 176.300 -0.103 0.000 1.051 94 R CA -0.935 55.127 56.100 -0.063 0.000 0.895 94 R CB 1.161 31.483 30.300 0.036 0.000 1.246 94 R HN 0.292 nan 8.270 nan 0.000 0.459 95 V N 2.240 122.070 119.914 -0.141 0.000 2.470 95 V HA 0.083 4.203 4.120 0.000 0.000 0.276 95 V C -0.010 175.969 176.094 -0.192 0.000 1.040 95 V CA -0.049 62.066 62.300 -0.309 0.000 1.008 95 V CB 0.991 32.422 31.823 -0.652 0.000 0.990 95 V HN 0.701 nan 8.190 nan 0.000 0.477 96 D N 3.851 124.194 120.400 -0.096 0.000 2.441 96 D HA 0.173 4.813 4.640 0.000 0.000 0.221 96 D C 0.505 176.842 176.300 0.061 0.000 1.156 96 D CA -0.177 53.861 54.000 0.062 0.000 0.896 96 D CB 0.603 41.492 40.800 0.148 0.000 1.028 96 D HN 0.529 nan 8.370 nan 0.000 0.509 97 Y N 1.894 122.279 120.300 0.141 0.000 2.373 97 Y HA 0.005 4.555 4.550 0.000 0.000 0.293 97 Y C 2.399 178.440 175.900 0.234 0.000 1.129 97 Y CA 1.029 59.214 58.100 0.141 0.000 1.226 97 Y CB 0.253 38.821 38.460 0.179 0.000 1.000 97 Y HN 0.525 nan 8.280 nan 0.000 0.549 98 G N -0.127 108.891 108.800 0.364 0.000 2.433 98 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 98 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 98 G C 1.554 176.675 174.900 0.367 0.000 1.186 98 G CA 0.948 46.248 45.100 0.334 0.000 0.779 98 G HN 0.302 nan 8.290 nan 0.000 0.543 99 L N 0.021 121.425 121.223 0.303 0.000 2.093 99 L HA 0.129 4.469 4.340 0.000 0.000 0.208 99 L C 2.558 179.717 176.870 0.481 0.000 1.085 99 L CA 1.246 56.270 54.840 0.306 0.000 0.755 99 L CB -0.578 41.580 42.059 0.165 0.000 0.904 99 L HN 0.189 nan 8.230 nan 0.000 0.435 100 L N -1.414 120.074 121.223 0.442 0.000 2.012 100 L HA -0.269 4.071 4.340 0.000 0.000 0.210 100 L C 2.404 179.480 176.870 0.343 0.000 1.073 100 L CA 2.007 57.016 54.840 0.282 0.000 0.748 100 L CB -0.992 40.932 42.059 -0.225 0.000 0.891 100 L HN 0.450 nan 8.230 nan 0.000 0.431 101 Y N 0.000 120.506 120.300 0.343 0.000 2.114 101 Y HA -0.307 4.243 4.550 0.000 0.000 0.282 101 Y C 2.309 178.547 175.900 0.564 0.000 1.165 101 Y CA 2.142 60.614 58.100 0.620 0.000 1.148 101 Y CB -0.475 38.325 38.460 0.567 0.000 0.972 101 Y HN 0.249 nan 8.280 nan 0.000 0.504 102 A N -1.506 121.622 122.820 0.514 0.000 2.014 102 A HA -0.160 4.160 4.320 0.000 0.000 0.218 102 A C 1.933 179.711 177.584 0.323 0.000 1.163 102 A CA 1.362 53.625 52.037 0.376 0.000 0.652 102 A CB -1.161 18.060 19.000 0.368 0.000 0.808 102 A HN 0.826 nan 8.150 nan 0.000 0.449 103 W N -0.221 121.200 121.300 0.202 0.000 2.699 103 W HA 0.210 4.870 4.660 0.000 0.000 0.265 103 W C 1.964 178.587 176.519 0.173 0.000 1.210 103 W CA 0.999 58.452 57.345 0.181 0.000 1.414 103 W CB 0.305 29.900 29.460 0.226 0.000 1.043 103 W HN 0.137 nan 8.180 nan 0.000 0.599 104 K N -0.613 119.977 120.400 0.316 0.000 2.137 104 K HA -0.092 4.228 4.320 0.000 0.000 0.202 104 K C 1.775 178.332 176.600 -0.071 0.000 1.052 104 K CA 1.640 57.944 56.287 0.028 0.000 0.961 104 K CB -0.631 31.998 32.500 0.214 0.000 0.741 104 K HN 0.154 nan 8.250 nan 0.000 0.452 105 W N 1.100 122.431 121.300 0.052 0.000 2.335 105 W HA -0.099 4.561 4.660 0.000 0.000 0.311 105 W C -0.887 175.562 176.519 -0.117 0.000 1.213 105 W CA 0.649 57.992 57.345 -0.004 0.000 1.274 105 W CB -0.962 28.420 29.460 -0.129 0.000 1.148 105 W HN 0.207 nan 8.180 nan 0.000 0.498 106 P HA -0.167 nan 4.420 nan 0.000 0.217 106 P C 1.375 178.567 177.300 -0.180 0.000 1.150 106 P CA 2.667 65.711 63.100 -0.094 0.000 0.832 106 P CB -0.377 31.258 31.700 -0.108 0.000 0.787 107 A N -0.567 122.050 122.820 -0.339 0.000 1.902 107 A HA -0.151 4.169 4.320 0.000 0.000 0.217 107 A C 2.206 179.706 177.584 -0.139 0.000 1.181 107 A CA 1.362 53.158 52.037 -0.402 0.000 0.623 107 A CB -1.640 16.840 19.000 -0.866 0.000 0.818 107 A HN 0.116 nan 8.150 nan 0.000 0.443 108 L N -0.862 120.346 121.223 -0.024 0.000 2.046 108 L HA -0.194 4.146 4.340 0.000 0.000 0.208 108 L C 2.575 179.645 176.870 0.334 0.000 1.077 108 L CA 1.706 56.680 54.840 0.222 0.000 0.747 108 L CB -0.354 41.899 42.059 0.324 0.000 0.896 108 L HN 0.336 nan 8.230 nan 0.000 0.432 109 K N -0.150 120.267 120.400 0.029 0.000 2.097 109 K HA -0.163 4.157 4.320 0.000 0.000 0.205 109 K C 2.004 178.571 176.600 -0.055 0.000 1.050 109 K CA 1.237 57.357 56.287 -0.279 0.000 0.938 109 K CB -0.052 32.130 32.500 -0.530 0.000 0.718 109 K HN 0.318 nan 8.250 nan 0.000 0.442 110 E N 0.592 120.763 120.200 -0.048 0.000 2.051 110 E HA -0.193 4.157 4.350 0.000 0.000 0.192 110 E C 2.080 178.699 176.600 0.032 0.000 0.991 110 E CA 1.112 57.495 56.400 -0.029 0.000 0.799 110 E CB -0.135 29.534 29.700 -0.052 0.000 0.748 110 E HN 0.333 nan 8.360 nan 0.000 0.449 111 A N 0.946 123.831 122.820 0.109 0.000 1.940 111 A HA -0.211 4.109 4.320 0.000 0.000 0.219 111 A C 1.972 179.639 177.584 0.138 0.000 1.176 111 A CA 1.213 53.381 52.037 0.219 0.000 0.631 111 A CB -0.684 18.508 19.000 0.320 0.000 0.814 111 A HN 0.349 nan 8.150 nan 0.000 0.446 112 F N 0.671 120.559 119.950 -0.104 0.000 2.146 112 F HA -0.101 4.426 4.527 0.000 0.000 0.298 112 F C 2.331 177.926 175.800 -0.342 0.000 1.096 112 F CA 1.643 59.301 58.000 -0.570 0.000 1.275 112 F CB -0.348 38.474 39.000 -0.297 0.000 1.008 112 F HN 0.120 nan 8.300 nan 0.000 0.480 113 R N -0.058 120.243 120.500 -0.330 0.000 2.081 113 R HA -0.081 4.259 4.340 0.000 0.000 0.235 113 R C 2.573 178.698 176.300 -0.292 0.000 1.131 113 R CA 1.142 57.019 56.100 -0.371 0.000 0.960 113 R CB -1.281 28.907 30.300 -0.187 0.000 0.856 113 R HN 0.476 nan 8.270 nan 0.000 0.436 114 G N 0.764 109.462 108.800 -0.170 0.000 2.440 114 G HA2 -0.311 3.650 3.960 0.000 0.000 0.218 114 G HA3 -0.311 3.650 3.960 0.000 0.000 0.218 114 G C 1.257 175.978 174.900 -0.299 0.000 1.154 114 G CA 0.513 45.558 45.100 -0.092 0.000 0.767 114 G HN 0.306 nan 8.290 nan 0.000 0.552 115 F N 1.503 120.973 119.950 -0.800 0.000 2.102 115 F HA 0.043 4.570 4.527 0.000 0.000 0.298 115 F C 2.665 178.116 175.800 -0.581 0.000 1.105 115 F CA 1.751 59.109 58.000 -1.069 0.000 1.239 115 F CB -0.005 38.431 39.000 -0.939 0.000 0.991 115 F HN -0.021 nan 8.300 nan 0.000 0.474 116 K N 0.125 120.248 120.400 -0.462 0.000 2.152 116 K HA -0.238 4.082 4.320 0.000 0.000 0.206 116 K C 2.087 178.487 176.600 -0.333 0.000 1.048 116 K CA 1.686 57.719 56.287 -0.424 0.000 0.933 116 K CB -0.330 31.868 32.500 -0.504 0.000 0.721 116 K HN 0.505 nan 8.250 nan 0.000 0.447 117 E N 0.949 120.977 120.200 -0.286 0.000 2.051 117 E HA -0.115 4.235 4.350 0.000 0.000 0.189 117 E C 1.107 177.618 176.600 -0.149 0.000 0.979 117 E CA 1.039 57.332 56.400 -0.178 0.000 0.803 117 E CB 0.340 29.968 29.700 -0.120 0.000 0.761 117 E HN 0.133 nan 8.360 nan 0.000 0.451 118 K N -0.445 119.866 120.400 -0.148 0.000 2.402 118 K HA 0.300 4.620 4.320 0.000 0.000 0.203 118 K C 0.025 176.606 176.600 -0.032 0.000 1.077 118 K CA 0.017 56.291 56.287 -0.022 0.000 1.051 118 K CB 1.418 34.010 32.500 0.153 0.000 0.907 118 K HN -0.004 nan 8.250 nan 0.000 0.554 119 A N 2.031 124.678 122.820 -0.287 0.000 2.445 119 A HA 0.204 4.524 4.320 0.000 0.000 0.242 119 A C 0.516 177.999 177.584 -0.168 0.000 1.075 119 A CA -0.227 51.615 52.037 -0.326 0.000 0.777 119 A CB 0.153 18.420 19.000 -1.221 0.000 1.013 119 A HN 0.299 nan 8.150 nan 0.000 0.493 120 S N 2.188 117.873 115.700 -0.025 0.000 2.584 120 S HA 0.287 4.757 4.470 0.000 0.000 0.270 120 S C -1.913 172.684 174.600 -0.005 0.000 1.346 120 S CA -0.626 57.578 58.200 0.006 0.000 1.018 120 S CB 0.330 63.567 63.200 0.063 0.000 0.899 120 S HN 0.471 nan 8.310 nan 0.000 0.542 121 P HA -0.091 nan 4.420 nan 0.000 0.218 121 P C 0.940 178.275 177.300 0.058 0.000 1.148 121 P CA 1.260 64.370 63.100 0.016 0.000 0.822 121 P CB -0.019 31.690 31.700 0.015 0.000 0.784 122 E N -0.056 120.194 120.200 0.083 0.000 2.051 122 E HA -0.182 4.169 4.350 0.000 0.000 0.192 122 E C 1.988 178.702 176.600 0.190 0.000 0.991 122 E CA 1.197 57.670 56.400 0.122 0.000 0.799 122 E CB -0.726 29.048 29.700 0.123 0.000 0.748 122 E HN 0.384 nan 8.360 nan 0.000 0.449 123 E N 0.495 120.837 120.200 0.238 0.000 2.077 123 E HA -0.165 4.185 4.350 0.000 0.000 0.193 123 E C 2.154 178.972 176.600 0.364 0.000 0.989 123 E CA 0.960 57.611 56.400 0.419 0.000 0.800 123 E CB -0.064 29.948 29.700 0.520 0.000 0.746 123 E HN 0.133 nan 8.360 nan 0.000 0.452 124 R N 0.496 121.120 120.500 0.208 0.000 2.091 124 R HA -0.172 4.168 4.340 0.000 0.000 0.238 124 R C 2.330 178.710 176.300 0.133 0.000 1.136 124 R CA 1.424 57.643 56.100 0.199 0.000 0.959 124 R CB -0.145 30.186 30.300 0.051 0.000 0.856 124 R HN 0.035 nan 8.270 nan 0.000 0.437 125 E N 0.860 121.118 120.200 0.097 0.000 2.107 125 E HA -0.057 4.293 4.350 0.000 0.000 0.191 125 E C 1.797 178.437 176.600 0.067 0.000 0.982 125 E CA 1.413 57.849 56.400 0.059 0.000 0.809 125 E CB -0.156 29.580 29.700 0.059 0.000 0.756 125 E HN 0.292 nan 8.360 nan 0.000 0.459 126 A N 0.272 123.175 122.820 0.138 0.000 1.908 126 A HA -0.162 4.158 4.320 0.000 0.000 0.218 126 A C 2.181 179.789 177.584 0.040 0.000 1.181 126 A CA 1.549 53.710 52.037 0.206 0.000 0.627 126 A CB -0.981 18.264 19.000 0.409 0.000 0.818 126 A HN 0.454 nan 8.150 nan 0.000 0.445 127 F N 1.163 120.784 119.950 -0.549 0.000 2.113 127 F HA -0.017 4.511 4.527 0.000 0.000 0.297 127 F C 2.461 178.054 175.800 -0.345 0.000 1.103 127 F CA 0.931 58.264 58.000 -1.111 0.000 1.248 127 F CB -0.859 37.425 39.000 -1.193 0.000 0.999 127 F HN 0.239 nan 8.300 nan 0.000 0.475 128 A N 0.455 123.067 122.820 -0.347 0.000 1.933 128 A HA 0.013 4.333 4.320 0.000 0.000 0.218 128 A C 2.454 179.933 177.584 -0.175 0.000 1.175 128 A CA 1.784 53.621 52.037 -0.332 0.000 0.628 128 A CB -1.506 17.381 19.000 -0.187 0.000 0.814 128 A HN 0.508 nan 8.150 nan 0.000 0.444 129 A N -0.973 121.813 122.820 -0.056 0.000 1.873 129 A HA -0.014 4.306 4.320 0.000 0.000 0.215 129 A C 2.030 179.643 177.584 0.048 0.000 1.186 129 A CA 1.509 53.554 52.037 0.014 0.000 0.616 129 A CB -0.765 18.284 19.000 0.081 0.000 0.823 129 A HN 0.723 nan 8.150 nan 0.000 0.442 130 F N 0.950 120.887 119.950 -0.022 0.000 2.091 130 F HA -0.244 4.283 4.527 0.000 0.000 0.299 130 F C 2.374 178.130 175.800 -0.074 0.000 1.103 130 F CA 2.188 60.216 58.000 0.047 0.000 1.228 130 F CB -0.253 38.886 39.000 0.233 0.000 0.984 130 F HN 0.127 nan 8.300 nan 0.000 0.477 131 R N 0.033 120.428 120.500 -0.175 0.000 2.081 131 R HA -0.197 4.144 4.340 0.000 0.000 0.235 131 R C 2.336 178.424 176.300 -0.353 0.000 1.131 131 R CA 1.736 57.629 56.100 -0.345 0.000 0.960 131 R CB -0.641 29.455 30.300 -0.340 0.000 0.856 131 R HN 0.477 nan 8.270 nan 0.000 0.436 132 E N 0.832 120.891 120.200 -0.236 0.000 2.072 132 E HA -0.215 4.135 4.350 0.000 0.000 0.191 132 E C 2.144 178.647 176.600 -0.161 0.000 0.985 132 E CA 0.906 57.204 56.400 -0.170 0.000 0.801 132 E CB 0.074 29.712 29.700 -0.103 0.000 0.750 132 E HN 0.169 nan 8.360 nan 0.000 0.452 133 R N 0.280 120.679 120.500 -0.169 0.000 2.081 133 R HA -0.118 4.222 4.340 0.000 0.000 0.235 133 R C 1.204 177.407 176.300 -0.162 0.000 1.131 133 R CA 1.502 57.536 56.100 -0.110 0.000 0.960 133 R CB 0.148 30.406 30.300 -0.071 0.000 0.856 133 R HN 0.057 nan 8.270 nan 0.000 0.436 134 E N -0.274 119.614 120.200 -0.519 0.000 2.463 134 E HA 0.085 4.435 4.350 0.000 0.000 0.193 134 E C 1.210 177.111 176.600 -1.164 0.000 1.041 134 E CA 0.426 56.295 56.400 -0.885 0.000 0.879 134 E CB 0.906 29.869 29.700 -1.229 0.000 0.997 134 E HN 0.397 nan 8.360 nan 0.000 0.478 135 A N 1.881 124.330 122.820 -0.619 0.000 1.978 135 A HA -0.170 4.150 4.320 0.000 0.000 0.220 135 A C 1.957 179.306 177.584 -0.392 0.000 1.170 135 A CA 1.215 52.972 52.037 -0.467 0.000 0.636 135 A CB -1.175 17.691 19.000 -0.224 0.000 0.810 135 A HN 0.559 nan 8.150 nan 0.000 0.448 136 W N -0.310 120.844 121.300 -0.243 0.000 2.387 136 W HA -0.135 4.525 4.660 0.000 0.000 0.272 136 W C 1.721 178.220 176.519 -0.033 0.000 1.224 136 W CA 0.974 58.252 57.345 -0.113 0.000 1.210 136 W CB -1.166 28.253 29.460 -0.068 0.000 1.125 136 W HN 0.789 nan 8.180 nan 0.000 0.572 137 W N -0.188 120.661 121.300 -0.752 0.000 2.968 137 W HA 0.216 4.876 4.660 0.000 0.000 0.253 137 W C 1.634 178.000 176.519 -0.254 0.000 1.150 137 W CA -0.094 56.937 57.345 -0.524 0.000 1.463 137 W CB -1.305 27.547 29.460 -1.013 0.000 0.906 137 W HN -0.171 nan 8.180 nan 0.000 0.650 138 L N 2.439 122.892 121.223 -1.284 0.000 2.093 138 L HA -0.023 4.317 4.340 0.000 0.000 0.208 138 L C 2.433 179.109 176.870 -0.323 0.000 1.085 138 L CA 2.173 56.373 54.840 -1.067 0.000 0.755 138 L CB -0.746 40.471 42.059 -1.404 0.000 0.904 138 L HN -0.068 nan 8.230 nan 0.000 0.435 139 E N -0.525 119.508 120.200 -0.280 0.000 2.085 139 E HA -0.229 4.121 4.350 0.000 0.000 0.194 139 E C 1.712 178.325 176.600 0.022 0.000 0.994 139 E CA 1.430 57.763 56.400 -0.110 0.000 0.801 139 E CB -0.162 29.470 29.700 -0.113 0.000 0.743 139 E HN 0.563 nan 8.360 nan 0.000 0.453 140 D N 0.004 120.440 120.400 0.060 0.000 2.117 140 D HA -0.156 4.484 4.640 0.000 0.000 0.198 140 D C 1.792 178.318 176.300 0.377 0.000 0.982 140 D CA 0.888 55.010 54.000 0.202 0.000 0.828 140 D CB -0.341 40.528 40.800 0.115 0.000 0.967 140 D HN 0.189 nan 8.370 nan 0.000 0.464 141 Y N 1.761 122.194 120.300 0.221 0.000 2.145 141 Y HA -0.139 4.412 4.550 0.000 0.000 0.286 141 Y C 2.247 178.286 175.900 0.231 0.000 1.145 141 Y CA 1.768 60.028 58.100 0.267 0.000 1.148 141 Y CB -0.489 38.201 38.460 0.383 0.000 0.981 141 Y HN -0.065 nan 8.280 nan 0.000 0.507 142 A N 0.037 122.864 122.820 0.012 0.000 1.933 142 A HA -0.154 4.166 4.320 0.000 0.000 0.218 142 A C 2.172 179.706 177.584 -0.084 0.000 1.175 142 A CA 1.729 53.707 52.037 -0.098 0.000 0.628 142 A CB -1.158 17.880 19.000 0.063 0.000 0.814 142 A HN 0.538 nan 8.150 nan 0.000 0.444 143 L N -1.562 119.694 121.223 0.056 0.000 2.072 143 L HA 0.001 4.341 4.340 0.000 0.000 0.205 143 L C 2.153 179.037 176.870 0.023 0.000 1.079 143 L CA 1.962 56.853 54.840 0.085 0.000 0.752 143 L CB -0.878 41.313 42.059 0.221 0.000 0.906 143 L HN 0.448 nan 8.230 nan 0.000 0.436 144 F N -0.403 119.538 119.950 -0.015 0.000 2.065 144 F HA -0.329 4.198 4.527 0.000 0.000 0.298 144 F C 2.249 177.886 175.800 -0.271 0.000 1.112 144 F CA 2.091 60.008 58.000 -0.139 0.000 1.212 144 F CB -0.160 38.857 39.000 0.028 0.000 0.975 144 F HN 0.075 nan 8.300 nan 0.000 0.476 145 M N 0.412 119.804 119.600 -0.347 0.000 2.132 145 M HA -0.104 4.376 4.480 0.000 0.000 0.263 145 M C 2.557 178.506 176.300 -0.584 0.000 1.065 145 M CA 1.564 56.431 55.300 -0.723 0.000 1.122 145 M CB -2.020 29.737 32.600 -1.405 0.000 1.365 145 M HN 0.361 nan 8.290 nan 0.000 0.411 146 A N 0.409 122.997 122.820 -0.387 0.000 1.902 146 A HA -0.121 4.199 4.320 0.000 0.000 0.217 146 A C 2.294 179.700 177.584 -0.298 0.000 1.181 146 A CA 1.303 53.225 52.037 -0.191 0.000 0.623 146 A CB -0.961 17.994 19.000 -0.074 0.000 0.818 146 A HN 0.470 nan 8.150 nan 0.000 0.443 147 L N -0.725 120.226 121.223 -0.454 0.000 2.201 147 L HA -0.176 4.164 4.340 0.000 0.000 0.212 147 L C 2.437 178.919 176.870 -0.647 0.000 1.105 147 L CA 1.271 55.700 54.840 -0.686 0.000 0.775 147 L CB -0.345 40.937 42.059 -1.295 0.000 0.913 147 L HN 0.369 nan 8.230 nan 0.000 0.440 148 K N -0.059 120.052 120.400 -0.482 0.000 2.152 148 K HA -0.132 4.188 4.320 0.000 0.000 0.206 148 K C 2.028 178.495 176.600 -0.222 0.000 1.048 148 K CA 1.309 57.433 56.287 -0.271 0.000 0.933 148 K CB -0.380 31.923 32.500 -0.328 0.000 0.721 148 K HN 0.416 nan 8.250 nan 0.000 0.447 149 G N 0.392 109.047 108.800 -0.242 0.000 2.572 149 G HA2 -0.092 3.868 3.960 0.000 0.000 0.216 149 G HA3 -0.092 3.868 3.960 0.000 0.000 0.216 149 G C 1.348 176.107 174.900 -0.236 0.000 1.133 149 G CA 0.606 45.590 45.100 -0.193 0.000 0.791 149 G HN 0.314 nan 8.290 nan 0.000 0.538 150 A N -0.590 122.028 122.820 -0.336 0.000 2.195 150 A HA 0.242 4.562 4.320 0.000 0.000 0.210 150 A C 1.168 178.260 177.584 -0.820 0.000 1.165 150 A CA 0.290 52.013 52.037 -0.525 0.000 0.806 150 A CB -0.006 18.654 19.000 -0.566 0.000 0.847 150 A HN 0.386 nan 8.150 nan 0.000 0.482 151 H N -1.255 117.647 119.070 -0.280 0.000 2.767 151 H HA 0.275 4.831 4.556 0.000 0.000 0.235 151 H C 1.125 176.397 175.328 -0.093 0.000 1.256 151 H CA 0.038 55.961 56.048 -0.207 0.000 0.957 151 H CB -0.031 29.522 29.762 -0.349 0.000 2.117 151 H HN 0.499 nan 8.280 nan 0.000 0.602 152 G N 0.989 109.757 108.800 -0.054 0.000 2.283 152 G HA2 -0.306 3.654 3.960 0.000 0.000 0.280 152 G HA3 -0.306 3.654 3.960 0.000 0.000 0.280 152 G C 1.314 176.209 174.900 -0.008 0.000 1.029 152 G CA 0.768 45.850 45.100 -0.030 0.000 0.840 152 G HN 0.954 nan 8.290 nan 0.000 0.505 153 G N -1.822 106.972 108.800 -0.011 0.000 2.148 153 G HA2 -0.261 3.699 3.960 0.000 0.000 0.254 153 G HA3 -0.261 3.699 3.960 0.000 0.000 0.254 153 G C 0.586 175.504 174.900 0.031 0.000 0.981 153 G CA 0.506 45.599 45.100 -0.012 0.000 0.670 153 G HN 1.346 nan 8.290 nan 0.000 0.528 154 L N 1.909 123.195 121.223 0.104 0.000 2.506 154 L HA 0.242 4.582 4.340 0.000 0.000 0.281 154 L C -0.931 175.923 176.870 -0.026 0.000 1.228 154 L CA -1.389 53.496 54.840 0.076 0.000 0.850 154 L CB 0.252 42.410 42.059 0.164 0.000 1.110 154 L HN 0.039 nan 8.230 nan 0.000 0.496 155 P HA -0.094 nan 4.420 nan 0.000 0.272 155 P C 0.433 177.088 177.300 -1.076 0.000 1.230 155 P CA -0.289 62.555 63.100 -0.426 0.000 0.788 155 P CB 0.294 31.792 31.700 -0.337 0.000 0.949 156 W N 3.786 124.241 121.300 -1.408 0.000 2.350 156 W HA -0.195 4.465 4.660 0.000 0.000 0.289 156 W C 0.520 176.362 176.519 -1.129 0.000 1.215 156 W CA 1.526 57.500 57.345 -2.284 0.000 1.236 156 W CB -2.047 26.483 29.460 -1.550 0.000 1.130 156 W HN 0.298 nan 8.180 nan 0.000 0.541 157 N N 0.923 118.565 118.700 -1.764 0.000 2.434 157 N HA -0.043 4.697 4.740 0.000 0.000 0.196 157 N C 1.169 176.271 175.510 -0.680 0.000 1.183 157 N CA 0.307 52.518 53.050 -1.399 0.000 0.849 157 N CB -0.719 36.751 38.487 -1.694 0.000 0.992 157 N HN 0.314 nan 8.380 nan 0.000 0.460 158 R N -1.341 118.813 120.500 -0.576 0.000 2.476 158 R HA 0.175 4.515 4.340 0.000 0.000 0.276 158 R C -0.358 175.888 176.300 -0.091 0.000 0.941 158 R CA -0.541 55.392 56.100 -0.279 0.000 1.088 158 R CB 0.263 30.430 30.300 -0.222 0.000 1.216 158 R HN 0.100 nan 8.270 nan 0.000 0.533 159 W N 2.201 123.352 121.300 -0.248 0.000 2.129 159 W HA 0.251 4.911 4.660 0.000 0.000 0.349 159 W C -1.999 174.390 176.519 -0.218 0.000 1.279 159 W CA -2.959 54.189 57.345 -0.328 0.000 1.306 159 W CB -0.834 28.380 29.460 -0.410 0.000 1.140 159 W HN -0.195 nan 8.180 nan 0.000 0.613 160 P HA -0.031 nan 4.420 nan 0.000 0.265 160 P C 1.200 178.548 177.300 0.080 0.000 1.187 160 P CA 0.329 63.443 63.100 0.022 0.000 0.766 160 P CB 0.509 32.209 31.700 0.001 0.000 0.820 161 L N 4.605 125.872 121.223 0.072 0.000 2.043 161 L HA -0.182 4.158 4.340 0.000 0.000 0.212 161 L C -0.586 176.357 176.870 0.121 0.000 1.075 161 L CA 2.145 57.042 54.840 0.095 0.000 0.752 161 L CB -2.019 40.078 42.059 0.063 0.000 0.891 161 L HN 0.435 nan 8.230 nan 0.000 0.432 162 P HA -0.175 nan 4.420 nan 0.000 0.216 162 P C 1.840 179.229 177.300 0.149 0.000 1.150 162 P CA 1.440 64.597 63.100 0.095 0.000 0.837 162 P CB 0.103 31.842 31.700 0.064 0.000 0.786 163 L N -1.523 119.812 121.223 0.187 0.000 2.127 163 L HA 0.036 4.377 4.340 0.000 0.000 0.203 163 L C 2.798 180.023 176.870 0.592 0.000 1.080 163 L CA 0.837 55.866 54.840 0.315 0.000 0.768 163 L CB -0.545 41.608 42.059 0.157 0.000 0.924 163 L HN -0.183 nan 8.230 nan 0.000 0.444 164 R N 1.067 121.871 120.500 0.507 0.000 2.091 164 R HA -0.175 4.165 4.340 0.000 0.000 0.238 164 R C 1.693 178.346 176.300 0.588 0.000 1.136 164 R CA 1.566 58.040 56.100 0.624 0.000 0.959 164 R CB 0.034 30.541 30.300 0.344 0.000 0.856 164 R HN 0.253 nan 8.270 nan 0.000 0.437 165 K N 0.160 120.758 120.400 0.331 0.000 2.458 165 K HA 0.101 4.421 4.320 0.000 0.000 0.194 165 K C -0.189 176.457 176.600 0.077 0.000 1.024 165 K CA -0.032 56.363 56.287 0.179 0.000 1.108 165 K CB 0.324 32.896 32.500 0.120 0.000 0.846 165 K HN 0.166 nan 8.250 nan 0.000 0.518 166 R N 1.650 122.224 120.500 0.125 0.000 3.333 166 R HA -0.167 4.173 4.340 0.000 0.000 0.256 166 R C -1.092 175.189 176.300 -0.031 0.000 1.010 166 R CA 0.479 56.567 56.100 -0.020 0.000 0.680 166 R CB -1.994 28.115 30.300 -0.318 0.000 1.102 166 R HN 0.421 nan 8.270 nan 0.000 0.440 167 E N 0.715 120.931 120.200 0.027 0.000 2.413 167 E HA -0.109 4.241 4.350 0.000 0.000 0.263 167 E C 1.105 177.703 176.600 -0.003 0.000 1.015 167 E CA 0.001 56.407 56.400 0.009 0.000 0.916 167 E CB 0.631 30.348 29.700 0.028 0.000 0.947 167 E HN 0.298 nan 8.360 nan 0.000 0.440 168 E N 3.453 123.642 120.200 -0.019 0.000 2.085 168 E HA -0.269 4.081 4.350 0.000 0.000 0.194 168 E C 1.792 178.385 176.600 -0.011 0.000 0.994 168 E CA 1.384 57.769 56.400 -0.026 0.000 0.801 168 E CB 0.172 29.854 29.700 -0.030 0.000 0.743 168 E HN 0.378 nan 8.360 nan 0.000 0.453 169 K N -0.061 120.337 120.400 -0.003 0.000 2.057 169 K HA -0.109 4.211 4.320 0.000 0.000 0.206 169 K C 2.085 178.692 176.600 0.011 0.000 1.050 169 K CA 0.997 57.285 56.287 0.002 0.000 0.935 169 K CB -0.164 32.337 32.500 0.002 0.000 0.715 169 K HN 0.141 nan 8.250 nan 0.000 0.439 170 A N 1.335 124.169 122.820 0.023 0.000 1.892 170 A HA -0.184 4.136 4.320 0.000 0.000 0.218 170 A C 2.007 179.619 177.584 0.046 0.000 1.188 170 A CA 1.375 53.435 52.037 0.039 0.000 0.631 170 A CB -0.614 18.422 19.000 0.061 0.000 0.822 170 A HN 0.280 nan 8.150 nan 0.000 0.447 171 L N -0.484 120.770 121.223 0.051 0.000 2.046 171 L HA -0.094 4.246 4.340 0.000 0.000 0.208 171 L C 2.553 179.440 176.870 0.029 0.000 1.077 171 L CA 2.218 57.093 54.840 0.059 0.000 0.747 171 L CB -1.023 41.053 42.059 0.028 0.000 0.896 171 L HN 0.569 nan 8.230 nan 0.000 0.432 172 R N -0.503 120.002 120.500 0.009 0.000 2.081 172 R HA -0.176 4.164 4.340 0.000 0.000 0.235 172 R C 2.060 178.360 176.300 0.001 0.000 1.131 172 R CA 1.318 57.417 56.100 -0.001 0.000 0.960 172 R CB 0.044 30.340 30.300 -0.008 0.000 0.856 172 R HN 0.193 nan 8.270 nan 0.000 0.436 173 E N 0.520 120.722 120.200 0.003 0.000 2.072 173 E HA -0.093 4.257 4.350 0.000 0.000 0.191 173 E C 1.846 178.442 176.600 -0.005 0.000 0.985 173 E CA 1.461 57.860 56.400 -0.002 0.000 0.801 173 E CB -0.479 29.221 29.700 -0.001 0.000 0.750 173 E HN 0.485 nan 8.360 nan 0.000 0.452 174 A N 1.102 123.923 122.820 0.002 0.000 1.877 174 A HA -0.238 4.082 4.320 0.000 0.000 0.216 174 A C 2.151 179.731 177.584 -0.008 0.000 1.186 174 A CA 1.975 54.006 52.037 -0.010 0.000 0.620 174 A CB -0.472 18.529 19.000 0.002 0.000 0.822 174 A HN 0.195 nan 8.150 nan 0.000 0.443 175 K N -0.556 119.849 120.400 0.008 0.000 2.097 175 K HA -0.135 4.185 4.320 0.000 0.000 0.206 175 K C 2.375 178.977 176.600 0.002 0.000 1.049 175 K CA 1.521 57.813 56.287 0.009 0.000 0.933 175 K CB -0.185 32.321 32.500 0.009 0.000 0.717 175 K HN 0.449 nan 8.250 nan 0.000 0.442 176 S N -0.268 115.430 115.700 -0.003 0.000 2.357 176 S HA -0.060 4.410 4.470 0.000 0.000 0.221 176 S C 1.943 176.539 174.600 -0.007 0.000 1.031 176 S CA 1.098 59.295 58.200 -0.005 0.000 0.982 176 S CB -0.228 62.967 63.200 -0.008 0.000 0.853 176 S HN 0.453 nan 8.310 nan 0.000 0.458 177 A N 0.989 123.799 122.820 -0.015 0.000 1.930 177 A HA 0.184 4.504 4.320 0.000 0.000 0.217 177 A C 1.675 179.245 177.584 -0.024 0.000 1.175 177 A CA 1.031 53.053 52.037 -0.025 0.000 0.627 177 A CB -0.457 18.521 19.000 -0.037 0.000 0.815 177 A HN 0.574 nan 8.150 nan 0.000 0.443 178 L N -0.742 120.468 121.223 -0.022 0.000 2.848 178 L HA 0.256 4.597 4.340 0.000 0.000 0.240 178 L C 2.165 179.048 176.870 0.021 0.000 1.232 178 L CA 0.167 54.998 54.840 -0.015 0.000 1.031 178 L CB -0.114 41.920 42.059 -0.042 0.000 1.338 178 L HN 0.354 nan 8.230 nan 0.000 0.509 179 A N 0.539 123.376 122.820 0.027 0.000 1.917 179 A HA -0.261 4.059 4.320 0.000 0.000 0.219 179 A C 2.282 179.925 177.584 0.098 0.000 1.182 179 A CA 2.110 54.177 52.037 0.050 0.000 0.633 179 A CB -0.226 18.797 19.000 0.039 0.000 0.819 179 A HN 0.553 nan 8.150 nan 0.000 0.448 180 E N -0.600 119.664 120.200 0.108 0.000 2.072 180 E HA -0.214 4.137 4.350 0.000 0.000 0.191 180 E C 1.919 178.638 176.600 0.199 0.000 0.985 180 E CA 1.350 57.864 56.400 0.189 0.000 0.801 180 E CB -0.053 29.733 29.700 0.142 0.000 0.750 180 E HN 0.653 nan 8.360 nan 0.000 0.452 181 E N 0.044 120.319 120.200 0.124 0.000 2.077 181 E HA -0.146 4.204 4.350 0.000 0.000 0.193 181 E C 2.080 178.800 176.600 0.200 0.000 0.989 181 E CA 1.037 57.525 56.400 0.146 0.000 0.800 181 E CB -0.138 29.615 29.700 0.089 0.000 0.746 181 E HN 0.084 nan 8.360 nan 0.000 0.452 182 V N 1.084 121.078 119.914 0.133 0.000 2.255 182 V HA -0.321 3.799 4.120 0.000 0.000 0.247 182 V C 2.241 178.406 176.094 0.119 0.000 1.051 182 V CA 1.988 64.358 62.300 0.116 0.000 1.018 182 V CB -0.897 30.965 31.823 0.065 0.000 0.641 182 V HN 0.385 nan 8.190 nan 0.000 0.445 183 A N -0.494 122.403 122.820 0.128 0.000 1.940 183 A HA -0.266 4.055 4.320 0.000 0.000 0.219 183 A C 2.112 179.630 177.584 -0.109 0.000 1.176 183 A CA 2.154 54.299 52.037 0.179 0.000 0.631 183 A CB -0.744 18.488 19.000 0.386 0.000 0.814 183 A HN 0.575 nan 8.150 nan 0.000 0.446 184 F N 0.506 120.082 119.950 -0.622 0.000 2.102 184 F HA -0.213 4.314 4.527 0.000 0.000 0.298 184 F C 2.379 177.944 175.800 -0.391 0.000 1.105 184 F CA 2.156 59.506 58.000 -1.083 0.000 1.239 184 F CB -0.552 37.979 39.000 -0.782 0.000 0.991 184 F HN 0.385 nan 8.300 nan 0.000 0.474 185 H N 0.011 118.855 119.070 -0.377 0.000 2.357 185 H HA -0.007 4.549 4.556 0.000 0.000 0.301 185 H C 2.421 177.753 175.328 0.006 0.000 1.082 185 H CA 1.295 57.173 56.048 -0.283 0.000 1.342 185 H CB -0.833 28.843 29.762 -0.142 0.000 1.389 185 H HN 0.412 nan 8.280 nan 0.000 0.511 186 A N 1.167 124.120 122.820 0.221 0.000 1.908 186 A HA -0.220 4.100 4.320 0.000 0.000 0.218 186 A C 2.303 180.214 177.584 0.545 0.000 1.181 186 A CA 1.544 53.823 52.037 0.403 0.000 0.627 186 A CB -1.110 18.102 19.000 0.352 0.000 0.818 186 A HN 0.361 nan 8.150 nan 0.000 0.445 187 F N 1.971 121.991 119.950 0.117 0.000 2.126 187 F HA -0.213 4.314 4.527 0.000 0.000 0.299 187 F C 2.764 178.459 175.800 -0.175 0.000 1.096 187 F CA 2.487 60.312 58.000 -0.291 0.000 1.255 187 F CB -0.704 37.950 39.000 -0.577 0.000 0.997 187 F HN 0.365 nan 8.300 nan 0.000 0.479 188 T N -2.036 112.374 114.554 -0.240 0.000 2.788 188 T HA -0.216 4.134 4.350 0.000 0.000 0.268 188 T C 1.819 176.490 174.700 -0.048 0.000 1.044 188 T CA 1.345 63.299 62.100 -0.243 0.000 1.139 188 T CB -0.459 68.280 68.868 -0.215 0.000 0.867 188 T HN 0.291 nan 8.240 nan 0.000 0.454 189 Q N -0.301 119.613 119.800 0.190 0.000 2.083 189 Q HA -0.002 4.339 4.340 0.000 0.000 0.198 189 Q C 1.882 178.084 176.000 0.337 0.000 0.969 189 Q CA 1.329 57.410 55.803 0.463 0.000 0.838 189 Q CB -0.793 28.421 28.738 0.793 0.000 0.900 189 Q HN 0.791 nan 8.270 nan 0.000 0.436 190 W N 1.756 122.865 121.300 -0.318 0.000 2.318 190 W HA -0.188 4.472 4.660 0.000 0.000 0.313 190 W C 1.837 178.029 176.519 -0.546 0.000 1.221 190 W CA 1.453 58.188 57.345 -1.016 0.000 1.266 190 W CB -0.624 28.449 29.460 -0.645 0.000 1.150 190 W HN 0.079 nan 8.180 nan 0.000 0.496 191 L N -0.641 120.222 121.223 -0.601 0.000 2.046 191 L HA -0.206 4.134 4.340 0.000 0.000 0.208 191 L C 2.551 179.194 176.870 -0.378 0.000 1.077 191 L CA 1.754 56.192 54.840 -0.670 0.000 0.747 191 L CB -1.313 40.356 42.059 -0.649 0.000 0.896 191 L HN 0.026 nan 8.230 nan 0.000 0.432 192 F N 0.600 120.346 119.950 -0.340 0.000 2.046 192 F HA -0.288 4.239 4.527 0.000 0.000 0.297 192 F C 2.171 177.810 175.800 -0.268 0.000 1.123 192 F CA 1.712 59.519 58.000 -0.322 0.000 1.199 192 F CB -0.440 38.290 39.000 -0.451 0.000 0.972 192 F HN -0.138 nan 8.300 nan 0.000 0.474 193 F N 0.304 120.282 119.950 0.047 0.000 2.234 193 F HA -0.067 4.461 4.527 0.000 0.000 0.299 193 F C 2.645 178.389 175.800 -0.093 0.000 1.087 193 F CA 1.360 59.397 58.000 0.060 0.000 1.340 193 F CB -0.568 38.642 39.000 0.350 0.000 1.031 193 F HN -0.085 nan 8.300 nan 0.000 0.500 194 R N 0.665 121.092 120.500 -0.122 0.000 2.066 194 R HA -0.177 4.163 4.340 0.000 0.000 0.232 194 R C 2.030 178.202 176.300 -0.214 0.000 1.131 194 R CA 1.776 57.739 56.100 -0.229 0.000 0.955 194 R CB -0.328 29.648 30.300 -0.540 0.000 0.851 194 R HN 0.302 nan 8.270 nan 0.000 0.432 195 Q N -0.658 118.973 119.800 -0.283 0.000 2.123 195 Q HA -0.192 4.148 4.340 0.000 0.000 0.199 195 Q C 1.839 177.695 176.000 -0.240 0.000 0.966 195 Q CA 1.275 56.927 55.803 -0.251 0.000 0.845 195 Q CB -0.236 28.351 28.738 -0.251 0.000 0.907 195 Q HN 0.545 nan 8.270 nan 0.000 0.439 196 W N 1.021 122.025 121.300 -0.494 0.000 2.381 196 W HA -0.103 4.557 4.660 0.000 0.000 0.301 196 W C 1.811 178.218 176.519 -0.186 0.000 1.205 196 W CA 1.728 58.817 57.345 -0.428 0.000 1.285 196 W CB -0.296 28.740 29.460 -0.707 0.000 1.133 196 W HN 0.181 nan 8.180 nan 0.000 0.521 197 G N 0.774 109.552 108.800 -0.037 0.000 2.446 197 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 197 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 197 G C 1.701 176.526 174.900 -0.125 0.000 1.168 197 G CA 1.923 47.007 45.100 -0.026 0.000 0.771 197 G HN 0.359 nan 8.290 nan 0.000 0.551 198 A N 0.235 122.969 122.820 -0.144 0.000 1.902 198 A HA 0.057 4.378 4.320 0.000 0.000 0.217 198 A C 2.369 179.841 177.584 -0.186 0.000 1.181 198 A CA 1.699 53.654 52.037 -0.137 0.000 0.623 198 A CB -0.450 18.473 19.000 -0.129 0.000 0.818 198 A HN 0.409 nan 8.150 nan 0.000 0.443 199 L N -0.164 120.881 121.223 -0.297 0.000 2.093 199 L HA -0.089 4.251 4.340 0.000 0.000 0.208 199 L C 2.302 178.962 176.870 -0.350 0.000 1.085 199 L CA 2.440 57.072 54.840 -0.347 0.000 0.755 199 L CB -0.492 41.272 42.059 -0.492 0.000 0.904 199 L HN 0.464 nan 8.230 nan 0.000 0.435 200 K N -0.857 119.262 120.400 -0.467 0.000 2.057 200 K HA -0.157 4.164 4.320 0.000 0.000 0.207 200 K C 1.991 178.554 176.600 -0.061 0.000 1.049 200 K CA 1.249 57.389 56.287 -0.245 0.000 0.931 200 K CB -0.180 32.195 32.500 -0.209 0.000 0.714 200 K HN 0.414 nan 8.250 nan 0.000 0.440 201 A N 1.039 123.815 122.820 -0.073 0.000 1.933 201 A HA -0.206 4.114 4.320 0.000 0.000 0.218 201 A C 1.962 179.525 177.584 -0.034 0.000 1.175 201 A CA 1.928 53.950 52.037 -0.026 0.000 0.628 201 A CB -0.544 18.439 19.000 -0.027 0.000 0.814 201 A HN 0.488 nan 8.150 nan 0.000 0.444 202 E N 0.323 120.484 120.200 -0.066 0.000 2.077 202 E HA -0.056 4.294 4.350 0.000 0.000 0.193 202 E C 2.017 178.584 176.600 -0.054 0.000 0.989 202 E CA 1.596 57.956 56.400 -0.066 0.000 0.800 202 E CB -0.483 29.163 29.700 -0.089 0.000 0.746 202 E HN 0.457 nan 8.360 nan 0.000 0.452 203 A N 0.742 123.540 122.820 -0.036 0.000 1.883 203 A HA -0.255 4.065 4.320 0.000 0.000 0.217 203 A C 2.117 179.691 177.584 -0.015 0.000 1.186 203 A CA 1.943 53.980 52.037 0.001 0.000 0.624 203 A CB -0.753 18.312 19.000 0.109 0.000 0.822 203 A HN 0.390 nan 8.150 nan 0.000 0.444 204 E N -0.413 119.797 120.200 0.016 0.000 2.110 204 E HA -0.112 4.238 4.350 0.000 0.000 0.193 204 E C 2.230 178.809 176.600 -0.036 0.000 0.988 204 E CA 0.959 57.355 56.400 -0.008 0.000 0.804 204 E CB -0.290 29.445 29.700 0.058 0.000 0.745 204 E HN 0.631 nan 8.360 nan 0.000 0.458 205 A N 0.695 123.497 122.820 -0.031 0.000 2.019 205 A HA -0.107 4.213 4.320 0.000 0.000 0.219 205 A C 1.960 179.512 177.584 -0.053 0.000 1.164 205 A CA 0.936 52.951 52.037 -0.037 0.000 0.644 205 A CB -0.285 18.695 19.000 -0.034 0.000 0.805 205 A HN 0.153 nan 8.150 nan 0.000 0.449 206 L N -1.281 119.902 121.223 -0.067 0.000 2.592 206 L HA 0.245 4.585 4.340 0.000 0.000 0.227 206 L C 1.499 178.306 176.870 -0.105 0.000 1.127 206 L CA 0.450 55.239 54.840 -0.085 0.000 0.884 206 L CB -0.047 41.953 42.059 -0.098 0.000 1.065 206 L HN 0.533 nan 8.230 nan 0.000 0.457 207 G N 1.109 109.843 108.800 -0.109 0.000 2.147 207 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 207 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 207 G C 0.032 174.809 174.900 -0.205 0.000 1.005 207 G CA -0.083 44.931 45.100 -0.143 0.000 0.713 207 G HN 0.298 nan 8.290 nan 0.000 0.515 208 I N 0.055 120.512 120.570 -0.188 0.000 2.412 208 I HA 0.507 4.677 4.170 0.000 0.000 0.296 208 I C 0.760 176.732 176.117 -0.240 0.000 0.987 208 I CA -0.904 60.271 61.300 -0.209 0.000 1.180 208 I CB 1.392 39.335 38.000 -0.095 0.000 1.340 208 I HN 0.018 nan 8.210 nan 0.000 0.455 209 R N 5.929 126.195 120.500 -0.390 0.000 2.474 209 R HA 0.646 4.986 4.340 0.000 0.000 0.295 209 R C -0.948 175.471 176.300 0.198 0.000 0.980 209 R CA -0.692 55.230 56.100 -0.296 0.000 0.934 209 R CB 1.694 31.682 30.300 -0.520 0.000 1.101 209 R HN 0.508 nan 8.270 nan 0.000 0.469 210 I N 4.194 125.125 120.570 0.601 0.000 2.336 210 I HA 0.292 4.462 4.170 0.000 0.000 0.292 210 I C -0.039 176.303 176.117 0.375 0.000 0.991 210 I CA -0.496 61.091 61.300 0.479 0.000 1.227 210 I CB 1.304 39.624 38.000 0.535 0.000 1.366 210 I HN 0.387 nan 8.210 nan 0.000 0.466 211 I N 5.741 126.427 120.570 0.193 0.000 2.304 211 I HA 0.371 4.541 4.170 0.000 0.000 0.291 211 I C 0.867 176.782 176.117 -0.337 0.000 1.018 211 I CA -0.100 61.217 61.300 0.030 0.000 1.260 211 I CB 1.162 39.209 38.000 0.078 0.000 1.390 211 I HN 0.655 nan 8.210 nan 0.000 0.475 212 G N 4.133 112.469 108.800 -0.773 0.000 2.642 212 G HA2 0.462 4.423 3.960 0.000 0.000 0.291 212 G HA3 0.462 4.423 3.960 0.000 0.000 0.291 212 G C -1.436 173.028 174.900 -0.726 0.000 1.345 212 G CA -0.084 44.037 45.100 -1.631 0.000 1.043 212 G HN 0.520 nan 8.290 nan 0.000 0.528 213 D N -1.340 118.697 120.400 -0.605 0.000 2.654 213 D HA 0.536 5.176 4.640 0.000 0.000 0.231 213 D C -0.581 175.631 176.300 -0.148 0.000 1.239 213 D CA -0.424 53.436 54.000 -0.233 0.000 0.790 213 D CB 2.002 42.688 40.800 -0.190 0.000 1.480 213 D HN 0.590 nan 8.370 nan 0.000 0.442 214 M N 0.333 119.930 119.600 -0.006 0.000 2.465 214 M HA 0.621 5.101 4.480 0.000 0.000 0.284 214 M C -3.056 173.319 176.300 0.125 0.000 1.212 214 M CA -1.625 53.680 55.300 0.009 0.000 0.910 214 M CB 3.157 35.776 32.600 0.031 0.000 1.725 214 M HN -0.086 nan 8.290 nan 0.000 0.477 215 P HA 0.180 nan 4.420 nan 0.000 0.275 215 P C 0.409 177.807 177.300 0.163 0.000 1.227 215 P CA -0.249 62.947 63.100 0.161 0.000 0.781 215 P CB 1.554 33.337 31.700 0.138 0.000 0.906 216 I N 2.136 122.770 120.570 0.105 0.000 2.208 216 I HA -0.153 4.017 4.170 0.000 0.000 0.245 216 I C 0.422 176.635 176.117 0.159 0.000 1.097 216 I CA 1.193 62.528 61.300 0.058 0.000 1.363 216 I CB -0.010 37.732 38.000 -0.430 0.000 1.051 216 I HN 0.152 nan 8.210 nan 0.000 0.413 217 F N 0.554 120.703 119.950 0.332 0.000 2.399 217 F HA 0.358 4.885 4.527 0.000 0.000 0.334 217 F C 0.496 176.360 175.800 0.108 0.000 1.097 217 F CA -1.133 56.983 58.000 0.194 0.000 1.076 217 F CB 1.011 40.074 39.000 0.105 0.000 1.162 217 F HN -0.204 nan 8.300 nan 0.000 0.495 218 V N 0.489 120.558 119.914 0.259 0.000 3.403 218 V HA 0.823 4.943 4.120 0.000 0.000 0.305 218 V C 0.157 176.256 176.094 0.007 0.000 1.060 218 V CA -1.131 61.238 62.300 0.115 0.000 1.053 218 V CB 0.944 32.855 31.823 0.146 0.000 1.198 218 V HN 0.872 nan 8.190 nan 0.000 0.447 219 A N 0.013 122.808 122.820 -0.043 0.000 2.327 219 A HA 0.385 4.705 4.320 0.000 0.000 0.283 219 A C 1.111 178.655 177.584 -0.067 0.000 1.127 219 A CA 0.236 52.241 52.037 -0.052 0.000 0.810 219 A CB 0.376 19.338 19.000 -0.063 0.000 1.066 219 A HN 1.099 nan 8.150 nan 0.000 0.492 220 E N 1.019 121.196 120.200 -0.039 0.000 2.049 220 E HA -0.239 4.111 4.350 0.000 0.000 0.198 220 E C -0.098 176.612 176.600 0.183 0.000 1.007 220 E CA 1.649 58.048 56.400 -0.001 0.000 0.809 220 E CB 0.018 29.707 29.700 -0.018 0.000 0.749 220 E HN 0.707 nan 8.360 nan 0.000 0.450 221 D N 0.744 121.260 120.400 0.192 0.000 2.563 221 D HA 0.104 4.744 4.640 0.000 0.000 0.222 221 D C -1.474 175.095 176.300 0.449 0.000 1.145 221 D CA -0.128 54.116 54.000 0.406 0.000 1.001 221 D CB 0.113 41.106 40.800 0.322 0.000 1.049 221 D HN 0.137 nan 8.370 nan 0.000 0.515 222 S N 0.220 116.042 115.700 0.203 0.000 2.588 222 S HA 0.657 5.127 4.470 0.000 0.000 0.275 222 S C 1.092 175.321 174.600 -0.618 0.000 1.130 222 S CA -0.426 57.634 58.200 -0.234 0.000 0.855 222 S CB 1.487 64.621 63.200 -0.110 0.000 1.116 222 S HN 0.101 nan 8.310 nan 0.000 0.472 223 A N 1.009 123.266 122.820 -0.938 0.000 1.940 223 A HA -0.062 4.258 4.320 0.000 0.000 0.219 223 A C 1.738 179.275 177.584 -0.078 0.000 1.176 223 A CA 1.999 53.758 52.037 -0.463 0.000 0.631 223 A CB -1.037 17.900 19.000 -0.105 0.000 0.814 223 A HN 0.876 nan 8.150 nan 0.000 0.446 224 E N -0.623 119.559 120.200 -0.031 0.000 2.158 224 E HA -0.018 4.332 4.350 0.000 0.000 0.191 224 E C 1.914 178.486 176.600 -0.046 0.000 0.982 224 E CA 0.907 57.364 56.400 0.095 0.000 0.823 224 E CB -0.264 29.594 29.700 0.264 0.000 0.766 224 E HN 0.358 nan 8.360 nan 0.000 0.468 225 V N 0.127 119.904 119.914 -0.229 0.000 2.307 225 V HA -0.199 3.922 4.120 0.000 0.000 0.245 225 V C 1.879 177.607 176.094 -0.610 0.000 1.045 225 V CA 1.611 63.667 62.300 -0.406 0.000 1.024 225 V CB -0.554 30.953 31.823 -0.527 0.000 0.651 225 V HN 0.459 nan 8.190 nan 0.000 0.449 226 W N 1.537 122.103 121.300 -1.224 0.000 2.335 226 W HA -0.246 4.414 4.660 0.000 0.000 0.311 226 W C 2.389 178.427 176.519 -0.802 0.000 1.213 226 W CA 2.117 58.511 57.345 -1.586 0.000 1.274 226 W CB -0.561 28.240 29.460 -1.098 0.000 1.148 226 W HN 0.190 nan 8.180 nan 0.000 0.498 227 A N -1.465 120.917 122.820 -0.730 0.000 2.016 227 A HA -0.055 4.265 4.320 0.000 0.000 0.217 227 A C 0.747 177.678 177.584 -1.087 0.000 1.162 227 A CA 1.143 52.603 52.037 -0.960 0.000 0.662 227 A CB -0.634 17.895 19.000 -0.786 0.000 0.812 227 A HN 0.461 nan 8.150 nan 0.000 0.450 228 H N -1.079 117.629 119.070 -0.603 0.000 2.439 228 H HA 0.174 4.730 4.556 0.000 0.000 0.230 228 H C -2.120 172.957 175.328 -0.418 0.000 1.420 228 H CA -1.258 54.307 56.048 -0.805 0.000 1.305 228 H CB 0.528 29.271 29.762 -1.698 0.000 1.667 228 H HN 0.360 nan 8.280 nan 0.000 0.515 229 P HA -0.140 nan 4.420 nan 0.000 0.220 229 P C 0.829 178.201 177.300 0.120 0.000 1.148 229 P CA 0.995 64.138 63.100 0.071 0.000 0.803 229 P CB 0.509 32.235 31.700 0.044 0.000 0.782 230 E N -0.857 119.327 120.200 -0.026 0.000 2.204 230 E HA -0.162 4.189 4.350 0.000 0.000 0.195 230 E C 1.486 178.140 176.600 0.091 0.000 0.990 230 E CA 0.919 57.331 56.400 0.020 0.000 0.821 230 E CB -1.043 28.660 29.700 0.004 0.000 0.750 230 E HN 0.357 nan 8.360 nan 0.000 0.477 231 W N -0.061 121.116 121.300 -0.207 0.000 2.937 231 W HA 0.216 4.877 4.660 0.000 0.000 0.245 231 W C -0.155 175.888 176.519 -0.793 0.000 1.306 231 W CA -0.170 56.841 57.345 -0.557 0.000 1.470 231 W CB -0.646 28.294 29.460 -0.867 0.000 1.132 231 W HN -0.073 nan 8.180 nan 0.000 0.675 232 F N -1.248 118.758 119.950 0.094 0.000 2.593 232 F HA 0.303 4.830 4.527 0.000 0.000 0.320 232 F C 0.683 176.453 175.800 -0.050 0.000 1.060 232 F CA -1.316 56.691 58.000 0.011 0.000 0.940 232 F CB 0.758 39.783 39.000 0.040 0.000 1.268 232 F HN -0.284 nan 8.300 nan 0.000 0.475 233 H N 3.841 123.061 119.070 0.250 0.000 3.092 233 H HA 0.332 4.889 4.556 0.000 0.000 0.263 233 H C -0.616 174.793 175.328 0.135 0.000 1.611 233 H CA 0.253 56.396 56.048 0.158 0.000 1.457 233 H CB -0.310 29.523 29.762 0.118 0.000 1.731 233 H HN 0.257 nan 8.280 nan 0.000 0.532 234 L N 2.101 123.454 121.223 0.216 0.000 2.333 234 L HA 0.223 4.563 4.340 0.000 0.000 0.269 234 L C 0.589 177.531 176.870 0.120 0.000 1.010 234 L CA -1.305 53.632 54.840 0.162 0.000 0.818 234 L CB 1.665 43.844 42.059 0.201 0.000 1.306 234 L HN 0.432 nan 8.230 nan 0.000 0.430 235 D N -0.326 120.120 120.400 0.077 0.000 2.447 235 D HA 0.001 4.641 4.640 0.000 0.000 0.265 235 D C 0.665 176.999 176.300 0.056 0.000 1.250 235 D CA -0.394 53.639 54.000 0.055 0.000 1.046 235 D CB 0.633 41.447 40.800 0.024 0.000 1.095 235 D HN 0.381 nan 8.370 nan 0.000 0.555 236 E N -0.861 119.364 120.200 0.042 0.000 2.265 236 E HA -0.144 4.206 4.350 0.000 0.000 0.196 236 E C 0.977 177.601 176.600 0.039 0.000 0.996 236 E CA 0.778 57.206 56.400 0.045 0.000 0.832 236 E CB 0.028 29.748 29.700 0.034 0.000 0.756 236 E HN 0.450 nan 8.360 nan 0.000 0.491 237 E N -1.118 119.086 120.200 0.006 0.000 2.489 237 E HA 0.133 4.483 4.350 0.000 0.000 0.193 237 E C 0.978 177.524 176.600 -0.091 0.000 1.057 237 E CA 0.572 56.951 56.400 -0.034 0.000 0.866 237 E CB 0.337 30.000 29.700 -0.061 0.000 0.916 237 E HN 0.296 nan 8.360 nan 0.000 0.500 238 G N 0.958 109.745 108.800 -0.021 0.000 2.143 238 G HA2 -0.334 3.626 3.960 0.000 0.000 0.249 238 G HA3 -0.334 3.626 3.960 0.000 0.000 0.249 238 G C 0.186 174.986 174.900 -0.168 0.000 0.981 238 G CA -0.010 45.071 45.100 -0.032 0.000 0.665 238 G HN 0.125 nan 8.290 nan 0.000 0.528 239 R N 0.686 121.115 120.500 -0.118 0.000 2.368 239 R HA 0.579 4.919 4.340 0.000 0.000 0.302 239 R C -2.407 173.876 176.300 -0.027 0.000 1.002 239 R CA -2.068 53.962 56.100 -0.116 0.000 0.929 239 R CB 0.767 30.997 30.300 -0.116 0.000 1.073 239 R HN 0.044 nan 8.270 nan 0.000 0.464 240 P HA -0.021 nan 4.420 nan 0.000 0.263 240 P C 0.212 177.517 177.300 0.007 0.000 1.195 240 P CA 0.304 63.413 63.100 0.015 0.000 0.762 240 P CB 0.804 32.495 31.700 -0.015 0.000 0.799 241 T N -0.063 114.514 114.554 0.039 0.000 3.035 241 T HA 0.132 4.483 4.350 0.000 0.000 0.259 241 T C 0.741 175.424 174.700 -0.028 0.000 1.078 241 T CA 0.486 62.594 62.100 0.013 0.000 1.132 241 T CB -0.346 68.549 68.868 0.045 0.000 0.900 241 T HN 0.287 nan 8.240 nan 0.000 0.480 242 V N -0.418 119.475 119.914 -0.035 0.000 3.040 242 V HA 0.949 5.069 4.120 0.000 0.000 0.312 242 V C -0.556 175.487 176.094 -0.085 0.000 1.115 242 V CA -1.099 61.144 62.300 -0.096 0.000 0.998 242 V CB 1.859 33.582 31.823 -0.167 0.000 1.042 242 V HN 0.454 nan 8.190 nan 0.000 0.433 243 V N -1.152 118.688 119.914 -0.123 0.000 3.130 243 V HA 1.043 5.164 4.120 0.000 0.000 0.310 243 V C 0.250 176.235 176.094 -0.182 0.000 1.158 243 V CA -0.416 61.806 62.300 -0.129 0.000 1.029 243 V CB 1.363 33.138 31.823 -0.081 0.000 1.057 243 V HN 2.028 nan 8.190 nan 0.000 0.436 244 A N 0.786 123.466 122.820 -0.232 0.000 2.332 244 A HA 0.976 5.296 4.320 0.000 0.000 0.258 244 A C 0.682 178.157 177.584 -0.182 0.000 1.087 244 A CA 0.467 52.330 52.037 -0.290 0.000 0.802 244 A CB 0.359 19.061 19.000 -0.497 0.000 1.042 244 A HN 2.666 nan 8.150 nan 0.000 0.489 245 G N -1.547 107.033 108.800 -0.368 0.000 2.325 245 G HA2 0.590 4.550 3.960 0.000 0.000 0.295 245 G HA3 0.590 4.550 3.960 0.000 0.000 0.295 245 G C -1.055 173.387 174.900 -0.764 0.000 1.274 245 G CA 0.149 44.758 45.100 -0.819 0.000 0.857 245 G HN 2.031 nan 8.290 nan 0.000 0.499 246 V N -2.041 117.439 119.914 -0.723 0.000 2.789 246 V HA 0.895 5.016 4.120 0.000 0.000 0.311 246 V C -2.564 173.186 176.094 -0.573 0.000 1.073 246 V CA -2.251 59.738 62.300 -0.520 0.000 0.921 246 V CB 2.111 33.729 31.823 -0.342 0.000 1.009 246 V HN 0.764 nan 8.190 nan 0.000 0.426 247 P HA 0.379 nan 4.420 nan 0.000 0.274 247 P C -2.809 174.246 177.300 -0.408 0.000 1.256 247 P CA -1.711 60.794 63.100 -0.991 0.000 0.795 247 P CB -0.416 30.267 31.700 -1.695 0.000 1.038 248 P HA 0.087 nan 4.420 nan 0.000 0.266 248 P C -0.491 176.761 177.300 -0.079 0.000 1.186 248 P CA 1.017 64.046 63.100 -0.117 0.000 0.767 248 P CB 0.136 31.788 31.700 -0.080 0.000 0.820 249 D N -0.576 119.816 120.400 -0.014 0.000 2.636 249 D HA 0.184 4.824 4.640 0.000 0.000 0.275 249 D C 0.546 176.868 176.300 0.037 0.000 1.130 249 D CA -0.593 53.437 54.000 0.051 0.000 1.031 249 D CB 0.503 41.391 40.800 0.147 0.000 1.451 249 D HN 0.252 nan 8.370 nan 0.000 0.505 250 Y N 0.429 120.659 120.300 -0.117 0.000 2.151 250 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 250 Y C 1.268 176.958 175.900 -0.349 0.000 1.166 250 Y CA 1.898 59.820 58.100 -0.296 0.000 1.163 250 Y CB -0.099 38.062 38.460 -0.498 0.000 0.974 250 Y HN 0.401 nan 8.280 nan 0.000 0.511 251 F N -1.267 118.709 119.950 0.044 0.000 2.104 251 F HA 0.080 4.607 4.527 0.000 0.000 0.288 251 F C 1.692 177.462 175.800 -0.050 0.000 1.107 251 F CA 1.033 59.015 58.000 -0.030 0.000 1.208 251 F CB -0.907 38.108 39.000 0.025 0.000 1.033 251 F HN -0.244 nan 8.300 nan 0.000 0.478 252 S N 0.135 115.944 115.700 0.182 0.000 2.499 252 S HA 0.094 4.564 4.470 0.000 0.000 0.279 252 S C 0.945 175.556 174.600 0.019 0.000 1.219 252 S CA -0.459 57.791 58.200 0.084 0.000 1.062 252 S CB 1.142 64.385 63.200 0.072 0.000 0.978 252 S HN 0.338 nan 8.310 nan 0.000 0.489 253 E N 2.138 122.340 120.200 0.004 0.000 2.076 253 E HA -0.082 4.268 4.350 0.000 0.000 0.190 253 E C 1.439 178.030 176.600 -0.015 0.000 0.979 253 E CA 1.466 57.856 56.400 -0.017 0.000 0.807 253 E CB 0.113 29.804 29.700 -0.015 0.000 0.761 253 E HN 0.812 nan 8.360 nan 0.000 0.454 254 T N -2.775 111.775 114.554 -0.007 0.000 3.054 254 T HA 0.445 4.795 4.350 0.000 0.000 0.255 254 T C 0.871 175.557 174.700 -0.025 0.000 1.035 254 T CA 0.143 62.238 62.100 -0.008 0.000 0.941 254 T CB 0.679 69.549 68.868 0.003 0.000 1.026 254 T HN 0.349 nan 8.240 nan 0.000 0.533 255 G N 1.408 110.186 108.800 -0.036 0.000 2.642 255 G HA2 -0.136 3.824 3.960 0.000 0.000 0.231 255 G HA3 -0.136 3.824 3.960 0.000 0.000 0.231 255 G C -1.142 173.722 174.900 -0.059 0.000 1.338 255 G CA -0.642 44.412 45.100 -0.077 0.000 0.883 255 G HN 0.683 nan 8.290 nan 0.000 0.570 256 Q N -0.487 119.231 119.800 -0.136 0.000 2.330 256 Q HA 0.533 4.874 4.340 0.000 0.000 0.269 256 Q C 0.021 175.880 176.000 -0.235 0.000 1.022 256 Q CA -0.767 54.960 55.803 -0.127 0.000 0.796 256 Q CB 2.471 31.155 28.738 -0.090 0.000 1.271 256 Q HN 0.586 nan 8.270 nan 0.000 0.450 257 R N 2.710 123.169 120.500 -0.069 0.000 2.369 257 R HA 0.129 4.469 4.340 0.000 0.000 0.310 257 R C -0.090 176.267 176.300 0.094 0.000 1.141 257 R CA -0.163 55.910 56.100 -0.043 0.000 1.116 257 R CB 0.282 30.582 30.300 0.000 0.000 1.135 257 R HN 0.724 nan 8.270 nan 0.000 0.529 258 W N 2.629 123.924 121.300 -0.008 0.000 2.388 258 W HA 0.067 4.727 4.660 0.000 0.000 0.294 258 W C 1.580 178.083 176.519 -0.028 0.000 1.212 258 W CA 1.545 58.883 57.345 -0.012 0.000 1.271 258 W CB -0.340 29.113 29.460 -0.012 0.000 1.126 258 W HN 0.877 nan 8.180 nan 0.000 0.535 259 G N -0.455 108.443 108.800 0.163 0.000 2.175 259 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 259 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 259 G C 0.187 175.097 174.900 0.017 0.000 0.982 259 G CA 0.105 45.240 45.100 0.059 0.000 0.641 259 G HN 0.297 nan 8.290 nan 0.000 0.527 260 N N 2.618 121.338 118.700 0.033 0.000 2.441 260 N HA 0.438 5.178 4.740 0.000 0.000 0.251 260 N C -1.934 173.496 175.510 -0.134 0.000 1.242 260 N CA -0.330 52.699 53.050 -0.036 0.000 0.898 260 N CB 0.713 39.213 38.487 0.021 0.000 1.100 260 N HN 0.252 nan 8.380 nan 0.000 0.443 261 P HA 0.050 nan 4.420 nan 0.000 0.272 261 P C -0.681 176.530 177.300 -0.147 0.000 1.223 261 P CA 0.098 63.126 63.100 -0.120 0.000 0.784 261 P CB 0.711 32.279 31.700 -0.221 0.000 0.923 262 L N 2.506 123.710 121.223 -0.031 0.000 2.322 262 L HA 0.374 4.714 4.340 0.000 0.000 0.279 262 L C 0.485 177.442 176.870 0.145 0.000 1.036 262 L CA -1.112 53.677 54.840 -0.084 0.000 0.807 262 L CB 0.534 42.568 42.059 -0.043 0.000 1.226 262 L HN 0.342 nan 8.230 nan 0.000 0.433 263 Y N 1.576 121.945 120.300 0.114 0.000 2.497 263 Y HA 0.123 4.673 4.550 0.000 0.000 0.334 263 Y C 0.618 176.425 175.900 -0.154 0.000 1.199 263 Y CA -0.381 57.567 58.100 -0.254 0.000 1.425 263 Y CB 0.397 38.383 38.460 -0.790 0.000 1.291 263 Y HN 0.380 nan 8.280 nan 0.000 0.562 264 R N 3.264 123.678 120.500 -0.144 0.000 2.419 264 R HA -0.016 4.324 4.340 0.000 0.000 0.305 264 R C -0.093 176.227 176.300 0.033 0.000 1.242 264 R CA -0.103 55.940 56.100 -0.095 0.000 1.105 264 R CB -0.017 30.146 30.300 -0.228 0.000 1.116 264 R HN 0.884 nan 8.270 nan 0.000 0.523 265 W N 1.727 123.158 121.300 0.219 0.000 2.374 265 W HA -0.195 4.465 4.660 0.000 0.000 0.288 265 W C 1.911 178.497 176.519 0.112 0.000 1.218 265 W CA 1.201 58.671 57.345 0.209 0.000 1.245 265 W CB 0.073 29.719 29.460 0.310 0.000 1.126 265 W HN 0.598 nan 8.180 nan 0.000 0.545 266 D N -0.096 120.493 120.400 0.316 0.000 2.123 266 D HA -0.190 4.450 4.640 0.000 0.000 0.196 266 D C 1.957 178.281 176.300 0.039 0.000 0.992 266 D CA 1.782 55.878 54.000 0.160 0.000 0.833 266 D CB -1.235 39.652 40.800 0.145 0.000 0.954 266 D HN 0.148 nan 8.370 nan 0.000 0.455 267 V N 1.106 121.026 119.914 0.011 0.000 2.358 267 V HA -0.191 3.929 4.120 0.000 0.000 0.246 267 V C 2.877 178.861 176.094 -0.183 0.000 1.047 267 V CA 1.092 63.364 62.300 -0.046 0.000 1.035 267 V CB -0.580 31.244 31.823 0.002 0.000 0.658 267 V HN 0.189 nan 8.190 nan 0.000 0.452 268 L N -0.090 120.966 121.223 -0.278 0.000 2.083 268 L HA -0.221 4.119 4.340 0.000 0.000 0.209 268 L C 2.589 179.099 176.870 -0.601 0.000 1.083 268 L CA 2.075 56.639 54.840 -0.461 0.000 0.752 268 L CB -0.594 41.261 42.059 -0.339 0.000 0.899 268 L HN 0.453 nan 8.230 nan 0.000 0.433 269 E N 0.559 120.413 120.200 -0.577 0.000 2.051 269 E HA -0.226 4.124 4.350 0.000 0.000 0.192 269 E C 2.365 178.637 176.600 -0.546 0.000 0.991 269 E CA 1.086 56.913 56.400 -0.955 0.000 0.799 269 E CB 0.073 29.574 29.700 -0.331 0.000 0.748 269 E HN 0.327 nan 8.360 nan 0.000 0.449 270 R N 0.266 120.601 120.500 -0.276 0.000 2.127 270 R HA -0.114 4.226 4.340 0.000 0.000 0.238 270 R C 2.189 178.391 176.300 -0.164 0.000 1.134 270 R CA 1.156 57.159 56.100 -0.163 0.000 0.975 270 R CB -0.132 30.122 30.300 -0.078 0.000 0.865 270 R HN 0.216 nan 8.270 nan 0.000 0.447 271 E N 0.066 120.136 120.200 -0.215 0.000 2.489 271 E HA -0.050 4.300 4.350 0.000 0.000 0.193 271 E C 0.628 177.113 176.600 -0.192 0.000 1.057 271 E CA 0.624 56.931 56.400 -0.155 0.000 0.866 271 E CB 0.393 30.015 29.700 -0.129 0.000 0.916 271 E HN 0.465 nan 8.360 nan 0.000 0.500 272 G N 0.741 109.355 108.800 -0.311 0.000 2.132 272 G HA2 -0.306 3.654 3.960 0.000 0.000 0.234 272 G HA3 -0.306 3.654 3.960 0.000 0.000 0.234 272 G C 0.478 175.320 174.900 -0.096 0.000 0.989 272 G CA -0.110 44.858 45.100 -0.220 0.000 0.676 272 G HN 0.363 nan 8.290 nan 0.000 0.522 273 F N -0.666 119.244 119.950 -0.067 0.000 3.084 273 F HA -0.319 4.208 4.527 0.000 0.000 0.286 273 F C 2.188 177.964 175.800 -0.040 0.000 0.855 273 F CA 1.400 59.384 58.000 -0.028 0.000 1.091 273 F CB -2.076 36.952 39.000 0.046 0.000 1.177 273 F HN 0.822 nan 8.300 nan 0.000 0.542 274 S N 0.167 115.874 115.700 0.011 0.000 2.383 274 S HA -0.296 4.174 4.470 0.000 0.000 0.229 274 S C 1.677 176.299 174.600 0.036 0.000 1.030 274 S CA 1.350 59.557 58.200 0.012 0.000 1.002 274 S CB -0.617 62.580 63.200 -0.005 0.000 0.829 274 S HN 0.493 nan 8.310 nan 0.000 0.467 275 F N 1.222 121.003 119.950 -0.282 0.000 2.095 275 F HA -0.004 4.523 4.527 0.000 0.000 0.298 275 F C 1.864 177.524 175.800 -0.233 0.000 1.104 275 F CA 1.034 58.853 58.000 -0.302 0.000 1.232 275 F CB -0.853 37.670 39.000 -0.794 0.000 0.987 275 F HN 0.240 nan 8.300 nan 0.000 0.475 276 W N 0.057 121.234 121.300 -0.205 0.000 2.418 276 W HA -0.142 4.518 4.660 0.000 0.000 0.292 276 W C 2.327 178.757 176.519 -0.149 0.000 1.213 276 W CA 0.540 57.720 57.345 -0.275 0.000 1.283 276 W CB -0.288 29.042 29.460 -0.217 0.000 1.119 276 W HN -0.074 nan 8.180 nan 0.000 0.542 277 I N 0.371 121.052 120.570 0.184 0.000 2.179 277 I HA -0.259 3.911 4.170 0.000 0.000 0.242 277 I C 2.384 178.617 176.117 0.193 0.000 1.088 277 I CA 1.513 62.956 61.300 0.238 0.000 1.357 277 I CB -1.593 36.479 38.000 0.120 0.000 1.051 277 I HN 0.039 nan 8.210 nan 0.000 0.409 278 R N 0.679 121.222 120.500 0.072 0.000 2.081 278 R HA -0.117 4.223 4.340 0.000 0.000 0.235 278 R C 2.340 178.819 176.300 0.298 0.000 1.131 278 R CA 1.067 57.222 56.100 0.091 0.000 0.960 278 R CB -0.645 29.690 30.300 0.058 0.000 0.856 278 R HN 0.421 nan 8.270 nan 0.000 0.436 279 R N 0.381 120.943 120.500 0.103 0.000 2.083 279 R HA -0.056 4.284 4.340 0.000 0.000 0.237 279 R C 2.419 178.734 176.300 0.024 0.000 1.137 279 R CA 1.071 57.111 56.100 -0.099 0.000 0.951 279 R CB -0.386 29.567 30.300 -0.578 0.000 0.851 279 R HN 0.192 nan 8.270 nan 0.000 0.434 280 L N 0.821 122.078 121.223 0.058 0.000 2.109 280 L HA -0.158 4.182 4.340 0.000 0.000 0.207 280 L C 1.967 178.914 176.870 0.128 0.000 1.086 280 L CA 1.476 56.320 54.840 0.006 0.000 0.760 280 L CB -0.216 41.687 42.059 -0.261 0.000 0.910 280 L HN 0.292 nan 8.230 nan 0.000 0.437 281 E N -0.157 120.230 120.200 0.311 0.000 2.038 281 E HA -0.320 4.030 4.350 0.000 0.000 0.195 281 E C 2.050 178.769 176.600 0.198 0.000 1.000 281 E CA 1.561 58.147 56.400 0.309 0.000 0.803 281 E CB 0.012 29.837 29.700 0.207 0.000 0.750 281 E HN 0.159 nan 8.360 nan 0.000 0.448 282 K N 1.035 121.559 120.400 0.206 0.000 2.057 282 K HA -0.117 4.203 4.320 0.000 0.000 0.207 282 K C 1.829 178.461 176.600 0.053 0.000 1.049 282 K CA 1.480 57.861 56.287 0.157 0.000 0.931 282 K CB -0.489 32.161 32.500 0.250 0.000 0.714 282 K HN 0.117 nan 8.250 nan 0.000 0.440 283 A N 0.591 123.451 122.820 0.066 0.000 1.908 283 A HA -0.127 4.193 4.320 0.000 0.000 0.218 283 A C 2.169 179.778 177.584 0.041 0.000 1.181 283 A CA 1.773 53.862 52.037 0.087 0.000 0.627 283 A CB -0.731 18.389 19.000 0.200 0.000 0.818 283 A HN 0.337 nan 8.150 nan 0.000 0.445 284 L N -0.876 120.398 121.223 0.085 0.000 2.465 284 L HA -0.085 4.255 4.340 0.000 0.000 0.224 284 L C 2.278 179.173 176.870 0.042 0.000 1.145 284 L CA 0.693 55.586 54.840 0.088 0.000 0.834 284 L CB -0.392 41.748 42.059 0.134 0.000 0.944 284 L HN 0.475 nan 8.230 nan 0.000 0.451 285 E N 0.201 120.419 120.200 0.029 0.000 2.150 285 E HA -0.144 4.206 4.350 0.000 0.000 0.193 285 E C 2.099 178.697 176.600 -0.003 0.000 0.985 285 E CA 0.966 57.389 56.400 0.039 0.000 0.814 285 E CB 0.135 29.881 29.700 0.077 0.000 0.752 285 E HN 0.513 nan 8.360 nan 0.000 0.466 286 L N -0.962 120.131 121.223 -0.216 0.000 2.357 286 L HA 0.192 4.532 4.340 0.000 0.000 0.211 286 L C 0.457 177.154 176.870 -0.288 0.000 1.075 286 L CA 0.120 54.728 54.840 -0.387 0.000 0.830 286 L CB 0.215 41.483 42.059 -1.319 0.000 0.996 286 L HN -0.037 nan 8.230 nan 0.000 0.467 287 F N -2.346 117.636 119.950 0.053 0.000 2.611 287 F HA 0.333 4.860 4.527 0.000 0.000 0.324 287 F C 1.036 176.751 175.800 -0.142 0.000 1.061 287 F CA -0.912 57.084 58.000 -0.007 0.000 0.954 287 F CB 1.376 40.399 39.000 0.038 0.000 1.301 287 F HN -0.212 nan 8.300 nan 0.000 0.482 288 H N 0.286 119.564 119.070 0.347 0.000 2.486 288 H HA 0.286 4.842 4.556 0.000 0.000 0.287 288 H C -0.495 174.958 175.328 0.208 0.000 1.010 288 H CA 0.653 56.838 56.048 0.230 0.000 1.324 288 H CB 0.281 30.151 29.762 0.181 0.000 1.446 288 H HN 0.270 nan 8.280 nan 0.000 0.537 289 L N -1.553 119.859 121.223 0.316 0.000 2.376 289 L HA 0.697 5.037 4.340 0.000 0.000 0.258 289 L C -1.285 175.661 176.870 0.127 0.000 1.013 289 L CA -1.383 53.574 54.840 0.196 0.000 0.822 289 L CB 2.766 44.923 42.059 0.164 0.000 1.388 289 L HN -0.222 nan 8.230 nan 0.000 0.413 290 V N 1.395 121.356 119.914 0.078 0.000 2.577 290 V HA 0.566 4.686 4.120 0.000 0.000 0.303 290 V C -0.527 175.584 176.094 0.028 0.000 1.042 290 V CA -0.437 61.873 62.300 0.018 0.000 0.872 290 V CB 2.048 33.928 31.823 0.096 0.000 0.998 290 V HN 0.899 nan 8.190 nan 0.000 0.423 291 R N 6.462 126.958 120.500 -0.006 0.000 2.390 291 R HA 0.603 4.943 4.340 0.000 0.000 0.291 291 R C -1.049 175.319 176.300 0.114 0.000 1.070 291 R CA -0.241 55.888 56.100 0.049 0.000 1.014 291 R CB 0.944 31.264 30.300 0.033 0.000 1.007 291 R HN 0.728 nan 8.270 nan 0.000 0.466 292 I N 3.677 124.368 120.570 0.203 0.000 2.355 292 I HA 0.157 4.327 4.170 0.000 0.000 0.288 292 I C -0.335 175.944 176.117 0.268 0.000 0.999 292 I CA -0.982 60.493 61.300 0.291 0.000 1.163 292 I CB 1.521 39.814 38.000 0.489 0.000 1.316 292 I HN 0.681 nan 8.210 nan 0.000 0.454 293 D N 5.789 126.316 120.400 0.212 0.000 2.425 293 D HA -0.038 4.603 4.640 0.000 0.000 0.247 293 D C 0.519 176.961 176.300 0.237 0.000 1.147 293 D CA 0.764 54.870 54.000 0.178 0.000 0.879 293 D CB 0.313 41.175 40.800 0.105 0.000 1.179 293 D HN 0.585 nan 8.370 nan 0.000 0.456 294 H N 2.614 121.783 119.070 0.165 0.000 2.819 294 H HA -0.261 4.296 4.556 0.000 0.000 0.323 294 H C 0.472 175.886 175.328 0.144 0.000 1.243 294 H CA 0.615 56.801 56.048 0.230 0.000 1.163 294 H CB -1.923 28.053 29.762 0.357 0.000 1.493 294 H HN 0.479 nan 8.280 nan 0.000 0.434 295 F N 1.715 121.667 119.950 0.004 0.000 2.192 295 F HA -0.226 4.301 4.527 0.000 0.000 0.301 295 F C 2.401 178.182 175.800 -0.031 0.000 1.079 295 F CA 1.959 59.989 58.000 0.050 0.000 1.303 295 F CB -0.075 38.986 39.000 0.102 0.000 1.024 295 F HN 0.488 nan 8.300 nan 0.000 0.494 296 R N 0.621 121.053 120.500 -0.113 0.000 2.159 296 R HA -0.035 4.305 4.340 0.000 0.000 0.237 296 R C 2.198 178.376 176.300 -0.203 0.000 1.131 296 R CA 1.535 57.534 56.100 -0.168 0.000 0.982 296 R CB -2.073 28.153 30.300 -0.123 0.000 0.868 296 R HN 0.248 nan 8.270 nan 0.000 0.453 297 G N -0.340 108.287 108.800 -0.288 0.000 2.501 297 G HA2 -0.214 3.746 3.960 0.000 0.000 0.220 297 G HA3 -0.214 3.746 3.960 0.000 0.000 0.220 297 G C 0.973 175.807 174.900 -0.110 0.000 1.114 297 G CA 0.583 45.700 45.100 0.030 0.000 0.757 297 G HN 0.414 nan 8.290 nan 0.000 0.559 298 F N -0.065 119.717 119.950 -0.280 0.000 2.325 298 F HA 0.088 4.615 4.527 0.000 0.000 0.299 298 F C 2.608 178.164 175.800 -0.407 0.000 1.090 298 F CA 1.001 58.720 58.000 -0.468 0.000 1.392 298 F CB 0.317 38.925 39.000 -0.653 0.000 1.053 298 F HN 0.147 nan 8.300 nan 0.000 0.521 299 E N 0.632 120.764 120.200 -0.114 0.000 2.127 299 E HA 0.204 4.554 4.350 0.000 0.000 0.191 299 E C 0.068 176.666 176.600 -0.003 0.000 0.964 299 E CA 0.757 57.107 56.400 -0.083 0.000 0.832 299 E CB 0.472 30.121 29.700 -0.084 0.000 0.790 299 E HN 0.158 nan 8.360 nan 0.000 0.465 300 A N -0.007 122.878 122.820 0.109 0.000 2.594 300 A HA 0.530 4.850 4.320 0.000 0.000 0.296 300 A C -1.735 176.216 177.584 0.613 0.000 1.061 300 A CA -0.751 51.444 52.037 0.264 0.000 0.689 300 A CB 0.582 19.675 19.000 0.154 0.000 1.280 300 A HN 0.248 nan 8.150 nan 0.000 0.406 301 Y N -1.168 119.509 120.300 0.627 0.000 2.499 301 Y HA 0.718 5.268 4.550 0.000 0.000 0.347 301 Y C -0.467 175.649 175.900 0.360 0.000 0.987 301 Y CA -1.580 56.918 58.100 0.663 0.000 1.044 301 Y CB 1.298 40.163 38.460 0.675 0.000 1.245 301 Y HN 0.808 nan 8.280 nan 0.000 0.461 302 W N 5.399 126.572 121.300 -0.212 0.000 2.485 302 W HA 0.236 4.896 4.660 0.000 0.000 0.315 302 W C -0.749 175.619 176.519 -0.250 0.000 1.304 302 W CA -0.149 56.770 57.345 -0.711 0.000 1.345 302 W CB 0.942 29.821 29.460 -0.969 0.000 1.368 302 W HN 0.852 nan 8.180 nan 0.000 0.497 303 E N 6.529 126.361 120.200 -0.613 0.000 2.089 303 E HA 0.208 4.558 4.350 0.000 0.000 0.284 303 E C -0.662 175.512 176.600 -0.709 0.000 1.023 303 E CA -0.355 55.778 56.400 -0.445 0.000 0.819 303 E CB 0.515 30.019 29.700 -0.326 0.000 1.076 303 E HN 0.449 nan 8.360 nan 0.000 0.396 304 I N 6.915 127.195 120.570 -0.482 0.000 2.331 304 I HA 0.260 4.430 4.170 0.000 0.000 0.292 304 I C -2.136 173.833 176.117 -0.248 0.000 0.998 304 I CA -2.601 58.465 61.300 -0.390 0.000 1.267 304 I CB 1.412 39.276 38.000 -0.226 0.000 1.386 304 I HN 0.360 nan 8.210 nan 0.000 0.476 305 P HA 0.018 nan 4.420 nan 0.000 0.268 305 P C 0.375 177.614 177.300 -0.102 0.000 1.204 305 P CA -0.020 62.993 63.100 -0.144 0.000 0.768 305 P CB 0.964 32.589 31.700 -0.124 0.000 0.842 306 A N 2.988 125.759 122.820 -0.080 0.000 2.024 306 A HA -0.167 4.153 4.320 0.000 0.000 0.220 306 A C 2.042 179.598 177.584 -0.048 0.000 1.164 306 A CA 1.852 53.853 52.037 -0.059 0.000 0.643 306 A CB -1.308 17.664 19.000 -0.047 0.000 0.806 306 A HN 0.512 nan 8.150 nan 0.000 0.451 307 S N -1.568 114.104 115.700 -0.047 0.000 2.481 307 S HA -0.055 4.415 4.470 0.000 0.000 0.231 307 S C 0.930 175.511 174.600 -0.033 0.000 0.996 307 S CA 0.450 58.629 58.200 -0.036 0.000 0.942 307 S CB -0.745 62.434 63.200 -0.034 0.000 0.768 307 S HN 0.651 nan 8.310 nan 0.000 0.520 308 C N 4.753 124.028 119.300 -0.041 0.000 2.576 308 C HA 0.307 4.767 4.460 0.000 0.000 0.401 308 C C -0.983 173.994 174.990 -0.021 0.000 1.314 308 C CA -1.924 57.075 59.018 -0.032 0.000 1.855 308 C CB 0.544 28.259 27.740 -0.042 0.000 2.537 308 C HN 0.315 nan 8.230 nan 0.000 0.578 309 P HA 0.064 nan 4.420 nan 0.000 0.240 309 P C 0.468 177.771 177.300 0.005 0.000 1.190 309 P CA 0.951 64.049 63.100 -0.002 0.000 0.781 309 P CB 0.030 31.730 31.700 0.001 0.000 0.931 310 T N -4.337 110.220 114.554 0.005 0.000 2.762 310 T HA 0.698 5.048 4.350 0.000 0.000 0.272 310 T C 0.642 175.356 174.700 0.023 0.000 0.982 310 T CA -0.298 61.810 62.100 0.013 0.000 1.013 310 T CB 1.228 70.106 68.868 0.016 0.000 1.309 310 T HN -0.148 nan 8.240 nan 0.000 0.572 311 A N 0.121 122.964 122.820 0.038 0.000 2.423 311 A HA 0.521 4.841 4.320 0.000 0.000 0.246 311 A C 1.735 179.449 177.584 0.216 0.000 1.278 311 A CA -0.160 51.947 52.037 0.116 0.000 0.903 311 A CB -0.684 18.334 19.000 0.029 0.000 0.997 311 A HN 0.613 nan 8.150 nan 0.000 0.510 312 V N 0.154 120.142 119.914 0.124 0.000 2.379 312 V HA -0.094 4.026 4.120 0.000 0.000 0.245 312 V C 1.054 177.283 176.094 0.225 0.000 1.044 312 V CA 1.211 63.589 62.300 0.130 0.000 1.036 312 V CB -0.389 31.471 31.823 0.062 0.000 0.664 312 V HN 0.537 nan 8.190 nan 0.000 0.453 313 E N -0.530 119.752 120.200 0.137 0.000 2.249 313 E HA 0.521 4.872 4.350 0.000 0.000 0.280 313 E C 0.258 176.793 176.600 -0.109 0.000 1.016 313 E CA 0.588 57.019 56.400 0.052 0.000 0.830 313 E CB 1.502 31.191 29.700 -0.019 0.000 1.081 313 E HN 0.408 nan 8.360 nan 0.000 0.395 314 G N 2.098 110.698 108.800 -0.333 0.000 2.351 314 G HA2 0.258 4.218 3.960 0.000 0.000 0.279 314 G HA3 0.258 4.218 3.960 0.000 0.000 0.279 314 G C -1.555 172.673 174.900 -1.120 0.000 1.297 314 G CA -0.827 43.692 45.100 -0.969 0.000 0.886 314 G HN 0.573 nan 8.290 nan 0.000 0.493 315 R N -1.815 117.775 120.500 -1.516 0.000 2.664 315 R HA 0.508 4.849 4.340 0.000 0.000 0.266 315 R C -1.850 174.085 176.300 -0.608 0.000 1.046 315 R CA -1.084 54.557 56.100 -0.764 0.000 0.885 315 R CB 0.806 30.908 30.300 -0.330 0.000 1.254 315 R HN 0.535 nan 8.270 nan 0.000 0.465 316 W N 1.736 123.054 121.300 0.030 0.000 2.287 316 W HA 0.482 5.142 4.660 0.000 0.000 0.313 316 W C -0.296 176.136 176.519 -0.145 0.000 1.267 316 W CA -0.258 57.122 57.345 0.058 0.000 1.201 316 W CB 1.601 31.158 29.460 0.162 0.000 1.196 316 W HN 0.194 nan 8.180 nan 0.000 0.536 317 V N 5.011 124.859 119.914 -0.111 0.000 2.540 317 V HA 0.295 4.415 4.120 0.000 0.000 0.302 317 V C 0.126 176.090 176.094 -0.217 0.000 1.035 317 V CA -1.654 60.477 62.300 -0.282 0.000 0.873 317 V CB 1.347 32.817 31.823 -0.588 0.000 0.992 317 V HN 0.293 nan 8.190 nan 0.000 0.428 318 K N 2.819 123.202 120.400 -0.027 0.000 2.295 318 K HA 0.718 5.038 4.320 0.000 0.000 0.270 318 K C 0.011 176.651 176.600 0.068 0.000 1.011 318 K CA 0.040 56.342 56.287 0.025 0.000 0.953 318 K CB 1.708 34.222 32.500 0.024 0.000 0.956 318 K HN 0.855 nan 8.250 nan 0.000 0.477 319 A N 3.079 125.896 122.820 -0.005 0.000 2.384 319 A HA 0.534 4.854 4.320 0.000 0.000 0.312 319 A C -2.339 175.058 177.584 -0.311 0.000 1.113 319 A CA -1.436 50.449 52.037 -0.253 0.000 0.779 319 A CB 1.265 19.953 19.000 -0.520 0.000 1.307 319 A HN 0.445 nan 8.150 nan 0.000 0.436 320 P HA 0.151 nan 4.420 nan 0.000 0.212 320 P C 0.986 178.089 177.300 -0.329 0.000 1.816 320 P CA 0.301 63.286 63.100 -0.193 0.000 0.944 320 P CB 0.030 31.765 31.700 0.059 0.000 1.896 321 G N 1.624 110.222 108.800 -0.337 0.000 2.440 321 G HA2 -0.290 3.671 3.960 0.000 0.000 0.218 321 G HA3 -0.290 3.671 3.960 0.000 0.000 0.218 321 G C 1.466 176.256 174.900 -0.183 0.000 1.154 321 G CA 0.652 45.571 45.100 -0.302 0.000 0.767 321 G HN 0.337 nan 8.290 nan 0.000 0.552 322 E N 0.814 120.965 120.200 -0.080 0.000 2.051 322 E HA -0.091 4.259 4.350 0.000 0.000 0.192 322 E C 2.401 179.007 176.600 0.010 0.000 0.991 322 E CA 1.438 57.869 56.400 0.052 0.000 0.799 322 E CB -0.264 29.479 29.700 0.071 0.000 0.748 322 E HN 0.409 nan 8.360 nan 0.000 0.449 323 K N -0.332 120.043 120.400 -0.042 0.000 2.026 323 K HA -0.153 4.168 4.320 0.000 0.000 0.208 323 K C 2.179 178.640 176.600 -0.232 0.000 1.048 323 K CA 1.285 57.557 56.287 -0.024 0.000 0.929 323 K CB -0.381 32.187 32.500 0.114 0.000 0.713 323 K HN 0.169 nan 8.250 nan 0.000 0.439 324 L N 0.446 121.314 121.223 -0.592 0.000 2.012 324 L HA -0.157 4.183 4.340 0.000 0.000 0.210 324 L C 1.892 178.250 176.870 -0.854 0.000 1.073 324 L CA 1.786 55.968 54.840 -1.096 0.000 0.748 324 L CB -0.539 40.725 42.059 -1.324 0.000 0.891 324 L HN 0.052 nan 8.230 nan 0.000 0.431 325 F N -0.764 118.719 119.950 -0.779 0.000 2.325 325 F HA -0.109 4.418 4.527 0.000 0.000 0.299 325 F C 2.538 177.881 175.800 -0.761 0.000 1.090 325 F CA 0.831 58.235 58.000 -0.994 0.000 1.392 325 F CB -0.313 37.733 39.000 -1.589 0.000 1.053 325 F HN 0.168 nan 8.300 nan 0.000 0.521 326 Q N 0.345 120.024 119.800 -0.202 0.000 2.084 326 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 326 Q C 2.222 178.228 176.000 0.011 0.000 0.978 326 Q CA 1.363 57.221 55.803 0.093 0.000 0.844 326 Q CB -0.453 28.375 28.738 0.151 0.000 0.898 326 Q HN 0.226 nan 8.270 nan 0.000 0.426 327 K N 1.169 121.527 120.400 -0.070 0.000 2.026 327 K HA -0.073 4.248 4.320 0.000 0.000 0.208 327 K C 1.992 178.582 176.600 -0.018 0.000 1.048 327 K CA 1.046 57.320 56.287 -0.022 0.000 0.929 327 K CB -0.541 31.968 32.500 0.015 0.000 0.713 327 K HN 0.148 nan 8.250 nan 0.000 0.439 328 I N 0.664 121.155 120.570 -0.132 0.000 2.127 328 I HA -0.350 3.820 4.170 0.000 0.000 0.241 328 I C 2.752 178.954 176.117 0.141 0.000 1.075 328 I CA 1.790 63.086 61.300 -0.006 0.000 1.334 328 I CB -0.388 37.383 38.000 -0.382 0.000 1.040 328 I HN 0.413 nan 8.210 nan 0.000 0.405 329 Q N 0.813 120.646 119.800 0.055 0.000 2.096 329 Q HA -0.307 4.033 4.340 0.000 0.000 0.204 329 Q C 2.185 178.268 176.000 0.139 0.000 0.982 329 Q CA 2.144 58.033 55.803 0.145 0.000 0.850 329 Q CB -0.128 28.747 28.738 0.229 0.000 0.901 329 Q HN 0.490 nan 8.270 nan 0.000 0.422 330 E N -0.886 119.376 120.200 0.104 0.000 2.077 330 E HA -0.174 4.176 4.350 0.000 0.000 0.193 330 E C 1.751 178.378 176.600 0.046 0.000 0.989 330 E CA 1.435 57.878 56.400 0.071 0.000 0.800 330 E CB 0.167 29.899 29.700 0.054 0.000 0.746 330 E HN 0.276 nan 8.360 nan 0.000 0.452 331 V N -0.322 119.617 119.914 0.041 0.000 2.992 331 V HA -0.038 4.082 4.120 0.000 0.000 0.250 331 V C 1.285 177.266 176.094 -0.188 0.000 1.090 331 V CA 0.810 63.062 62.300 -0.080 0.000 1.101 331 V CB -0.119 31.637 31.823 -0.111 0.000 0.743 331 V HN 0.252 nan 8.190 nan 0.000 0.468 332 F N 0.288 120.231 119.950 -0.011 0.000 2.656 332 F HA 0.400 4.927 4.527 0.000 0.000 0.291 332 F C 2.017 177.829 175.800 0.019 0.000 1.122 332 F CA 0.901 58.903 58.000 0.002 0.000 1.427 332 F CB 0.042 39.042 39.000 -0.001 0.000 1.125 332 F HN 0.235 nan 8.300 nan 0.000 0.583 333 G N 0.807 109.720 108.800 0.188 0.000 2.179 333 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 333 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 333 G C 0.003 174.984 174.900 0.134 0.000 0.977 333 G CA 0.464 45.641 45.100 0.128 0.000 0.641 333 G HN 0.499 nan 8.290 nan 0.000 0.533 334 E N -2.467 117.832 120.200 0.165 0.000 2.417 334 E HA 0.558 4.908 4.350 0.000 0.000 0.280 334 E C -1.255 175.404 176.600 0.097 0.000 1.112 334 E CA -1.040 55.435 56.400 0.125 0.000 0.863 334 E CB 1.308 31.072 29.700 0.107 0.000 1.346 334 E HN 0.543 nan 8.360 nan 0.000 0.443 335 V N 1.533 121.490 119.914 0.073 0.000 2.327 335 V HA 0.358 4.478 4.120 0.000 0.000 0.272 335 V C -2.166 173.941 176.094 0.022 0.000 1.019 335 V CA -1.262 61.053 62.300 0.026 0.000 0.814 335 V CB 1.115 32.999 31.823 0.102 0.000 1.040 335 V HN 0.614 nan 8.190 nan 0.000 0.440 336 P HA 0.221 nan 4.420 nan 0.000 0.220 336 P C -0.335 176.985 177.300 0.033 0.000 1.778 336 P CA 0.057 63.177 63.100 0.033 0.000 0.912 336 P CB 0.639 32.373 31.700 0.055 0.000 1.861 337 V N 1.753 121.683 119.914 0.027 0.000 2.513 337 V HA 0.334 4.454 4.120 0.000 0.000 0.299 337 V C 0.433 176.519 176.094 -0.014 0.000 1.035 337 V CA -0.870 61.454 62.300 0.041 0.000 0.889 337 V CB 2.419 34.312 31.823 0.116 0.000 0.988 337 V HN 0.126 nan 8.190 nan 0.000 0.440 338 L N 3.836 125.054 121.223 -0.008 0.000 2.295 338 L HA 0.714 5.054 4.340 0.000 0.000 0.285 338 L C 0.418 177.233 176.870 -0.091 0.000 1.035 338 L CA -0.538 54.268 54.840 -0.057 0.000 0.806 338 L CB 1.622 43.672 42.059 -0.015 0.000 1.214 338 L HN 0.729 nan 8.230 nan 0.000 0.426 339 A N 2.911 125.578 122.820 -0.254 0.000 2.269 339 A HA 0.209 4.530 4.320 0.000 0.000 0.302 339 A C 0.105 177.614 177.584 -0.125 0.000 1.266 339 A CA -0.409 51.382 52.037 -0.411 0.000 0.894 339 A CB 0.343 18.716 19.000 -1.045 0.000 1.147 339 A HN 0.684 nan 8.150 nan 0.000 0.537 340 E N 3.035 123.266 120.200 0.052 0.000 2.029 340 E HA 0.039 4.390 4.350 0.000 0.000 0.276 340 E C -0.849 175.828 176.600 0.129 0.000 1.163 340 E CA -0.025 56.431 56.400 0.092 0.000 0.909 340 E CB 0.356 30.137 29.700 0.133 0.000 1.046 340 E HN 0.632 nan 8.360 nan 0.000 0.406 341 D N 4.638 125.088 120.400 0.083 0.000 2.891 341 D HA 0.142 4.782 4.640 0.000 0.000 0.312 341 D C 0.447 176.835 176.300 0.147 0.000 1.354 341 D CA -0.357 53.705 54.000 0.103 0.000 0.838 341 D CB -0.381 40.432 40.800 0.021 0.000 1.117 341 D HN 0.224 nan 8.370 nan 0.000 0.473 342 L N -0.099 121.229 121.223 0.175 0.000 2.488 342 L HA 0.626 4.966 4.340 0.000 0.000 0.249 342 L C 1.604 178.590 176.870 0.193 0.000 1.151 342 L CA 0.013 54.991 54.840 0.230 0.000 0.806 342 L CB 0.161 42.331 42.059 0.185 0.000 1.261 342 L HN 0.352 nan 8.230 nan 0.000 0.484 343 G N -0.376 108.520 108.800 0.160 0.000 2.569 343 G HA2 -0.235 3.725 3.960 0.000 0.000 0.259 343 G HA3 -0.235 3.725 3.960 0.000 0.000 0.259 343 G C -0.542 174.447 174.900 0.149 0.000 1.263 343 G CA -0.447 44.737 45.100 0.139 0.000 0.928 343 G HN 0.470 nan 8.290 nan 0.000 0.572 344 V N 1.769 121.766 119.914 0.138 0.000 2.389 344 V HA 0.485 4.605 4.120 0.000 0.000 0.264 344 V C 0.491 176.610 176.094 0.043 0.000 1.049 344 V CA -0.205 62.143 62.300 0.080 0.000 0.932 344 V CB 0.814 32.681 31.823 0.073 0.000 1.011 344 V HN 0.566 nan 8.190 nan 0.000 0.475 345 I N 4.573 125.147 120.570 0.006 0.000 2.569 345 I HA 0.515 4.685 4.170 0.000 0.000 0.296 345 I C 0.462 176.543 176.117 -0.061 0.000 1.028 345 I CA -0.226 61.063 61.300 -0.018 0.000 1.082 345 I CB 2.316 40.322 38.000 0.009 0.000 1.264 345 I HN 0.694 nan 8.210 nan 0.000 0.429 346 T N 1.938 116.440 114.554 -0.087 0.000 2.948 346 T HA 0.490 4.840 4.350 0.000 0.000 0.285 346 T C -2.121 172.536 174.700 -0.073 0.000 1.019 346 T CA -1.855 60.184 62.100 -0.103 0.000 1.013 346 T CB 1.856 70.630 68.868 -0.157 0.000 1.117 346 T HN 0.260 nan 8.240 nan 0.000 0.533 347 P HA -0.057 nan 4.420 nan 0.000 0.218 347 P C 1.111 178.383 177.300 -0.047 0.000 1.148 347 P CA 1.030 64.097 63.100 -0.054 0.000 0.822 347 P CB 0.047 31.715 31.700 -0.054 0.000 0.784 348 E N -0.890 119.275 120.200 -0.059 0.000 2.106 348 E HA -0.105 4.245 4.350 0.000 0.000 0.192 348 E C 1.980 178.564 176.600 -0.026 0.000 0.984 348 E CA 0.858 57.229 56.400 -0.049 0.000 0.806 348 E CB -1.063 28.596 29.700 -0.069 0.000 0.750 348 E HN 0.045 nan 8.360 nan 0.000 0.458 349 V N 0.959 120.860 119.914 -0.022 0.000 2.323 349 V HA -0.225 3.895 4.120 0.000 0.000 0.244 349 V C 1.944 178.089 176.094 0.084 0.000 1.041 349 V CA 1.814 64.139 62.300 0.042 0.000 1.025 349 V CB -0.439 31.407 31.823 0.039 0.000 0.656 349 V HN 0.240 nan 8.190 nan 0.000 0.451 350 E N 0.445 120.658 120.200 0.022 0.000 2.085 350 E HA -0.228 4.122 4.350 0.000 0.000 0.194 350 E C 2.305 178.900 176.600 -0.008 0.000 0.994 350 E CA 1.410 57.809 56.400 -0.002 0.000 0.801 350 E CB -0.334 29.350 29.700 -0.027 0.000 0.743 350 E HN 0.606 nan 8.360 nan 0.000 0.453 351 A N 1.091 123.904 122.820 -0.011 0.000 1.898 351 A HA -0.159 4.162 4.320 0.000 0.000 0.216 351 A C 2.159 179.735 177.584 -0.013 0.000 1.181 351 A CA 0.984 53.004 52.037 -0.028 0.000 0.620 351 A CB -0.545 18.435 19.000 -0.033 0.000 0.819 351 A HN 0.221 nan 8.150 nan 0.000 0.442 352 L N 0.103 121.351 121.223 0.041 0.000 2.012 352 L HA -0.170 4.170 4.340 0.000 0.000 0.210 352 L C 2.500 179.460 176.870 0.151 0.000 1.073 352 L CA 2.532 57.439 54.840 0.112 0.000 0.748 352 L CB -0.634 41.478 42.059 0.090 0.000 0.891 352 L HN 0.497 nan 8.230 nan 0.000 0.431 353 R N -0.688 119.883 120.500 0.117 0.000 2.083 353 R HA -0.188 4.153 4.340 0.000 0.000 0.237 353 R C 1.799 178.037 176.300 -0.104 0.000 1.137 353 R CA 2.101 58.139 56.100 -0.103 0.000 0.951 353 R CB -0.391 29.773 30.300 -0.227 0.000 0.851 353 R HN 0.448 nan 8.270 nan 0.000 0.434 354 D N -0.301 120.049 120.400 -0.084 0.000 2.194 354 D HA -0.108 4.533 4.640 0.000 0.000 0.204 354 D C 1.899 178.101 176.300 -0.164 0.000 0.964 354 D CA 0.634 54.565 54.000 -0.114 0.000 0.846 354 D CB -0.244 40.502 40.800 -0.090 0.000 0.962 354 D HN 0.251 nan 8.370 nan 0.000 0.490 355 R N -0.191 120.186 120.500 -0.204 0.000 2.103 355 R HA -0.126 4.214 4.340 0.000 0.000 0.242 355 R C 1.214 177.140 176.300 -0.623 0.000 1.142 355 R CA 1.190 57.027 56.100 -0.439 0.000 0.960 355 R CB -0.179 29.774 30.300 -0.578 0.000 0.858 355 R HN 0.148 nan 8.270 nan 0.000 0.439 356 F N -0.664 119.210 119.950 -0.126 0.000 2.664 356 F HA 0.318 4.845 4.527 0.000 0.000 0.303 356 F C 1.275 177.002 175.800 -0.122 0.000 1.092 356 F CA 0.353 58.285 58.000 -0.113 0.000 1.305 356 F CB 1.047 39.964 39.000 -0.139 0.000 1.054 356 F HN 0.234 nan 8.300 nan 0.000 0.565 357 G N 1.486 110.249 108.800 -0.061 0.000 2.198 357 G HA2 -0.306 3.654 3.960 0.000 0.000 0.260 357 G HA3 -0.306 3.654 3.960 0.000 0.000 0.260 357 G C 0.065 174.912 174.900 -0.088 0.000 1.025 357 G CA -0.245 44.798 45.100 -0.094 0.000 0.769 357 G HN 0.312 nan 8.290 nan 0.000 0.507 358 L N 0.662 121.814 121.223 -0.119 0.000 2.319 358 L HA 0.336 4.676 4.340 0.000 0.000 0.280 358 L C -1.716 175.047 176.870 -0.177 0.000 1.099 358 L CA -2.041 52.696 54.840 -0.173 0.000 0.828 358 L CB 0.721 42.583 42.059 -0.329 0.000 1.150 358 L HN -0.081 nan 8.230 nan 0.000 0.442 359 P HA 0.090 nan 4.420 nan 0.000 0.271 359 P C 0.143 177.355 177.300 -0.146 0.000 1.220 359 P CA -0.052 62.983 63.100 -0.108 0.000 0.768 359 P CB 0.926 32.573 31.700 -0.087 0.000 0.848 360 G N 2.394 111.117 108.800 -0.129 0.000 2.531 360 G HA2 0.654 4.615 3.960 0.000 0.000 0.281 360 G HA3 0.654 4.615 3.960 0.000 0.000 0.281 360 G C -0.699 174.160 174.900 -0.068 0.000 1.382 360 G CA -0.761 44.267 45.100 -0.120 0.000 1.045 360 G HN 0.366 nan 8.290 nan 0.000 0.533 361 M N -0.421 119.170 119.600 -0.015 0.000 2.662 361 M HA 0.494 4.974 4.480 0.000 0.000 0.310 361 M C -0.785 175.553 176.300 0.065 0.000 1.204 361 M CA -0.783 54.549 55.300 0.054 0.000 0.891 361 M CB 2.704 35.362 32.600 0.097 0.000 1.732 361 M HN 0.147 nan 8.290 nan 0.000 0.467 362 K N 1.669 122.095 120.400 0.044 0.000 2.468 362 K HA 0.650 4.970 4.320 0.000 0.000 0.252 362 K C -1.741 174.848 176.600 -0.019 0.000 0.932 362 K CA -0.635 55.707 56.287 0.092 0.000 0.794 362 K CB 2.626 34.961 32.500 -0.275 0.000 1.241 362 K HN 0.480 nan 8.250 nan 0.000 0.428 363 V N 4.708 124.432 119.914 -0.318 0.000 2.407 363 V HA 0.237 4.357 4.120 0.000 0.000 0.291 363 V C 1.428 177.152 176.094 -0.616 0.000 1.018 363 V CA -0.535 61.411 62.300 -0.591 0.000 0.842 363 V CB 1.377 32.539 31.823 -1.101 0.000 0.996 363 V HN 0.693 nan 8.190 nan 0.000 0.426 364 L N 2.650 123.637 121.223 -0.393 0.000 2.201 364 L HA -0.134 4.206 4.340 0.000 0.000 0.212 364 L C 2.374 178.953 176.870 -0.485 0.000 1.105 364 L CA 1.361 56.002 54.840 -0.331 0.000 0.775 364 L CB -0.196 41.779 42.059 -0.140 0.000 0.913 364 L HN 0.723 nan 8.230 nan 0.000 0.440 365 Q N -0.368 118.963 119.800 -0.782 0.000 2.297 365 Q HA -0.173 4.167 4.340 0.000 0.000 0.208 365 Q C 1.790 177.506 176.000 -0.474 0.000 0.981 365 Q CA 1.438 56.544 55.803 -1.161 0.000 0.876 365 Q CB -0.081 27.792 28.738 -1.442 0.000 0.921 365 Q HN 0.573 nan 8.270 nan 0.000 0.446 366 F N -1.250 118.439 119.950 -0.435 0.000 2.765 366 F HA 0.185 4.712 4.527 0.000 0.000 0.302 366 F C 1.822 177.594 175.800 -0.048 0.000 1.111 366 F CA -0.401 57.463 58.000 -0.226 0.000 1.359 366 F CB 0.306 38.977 39.000 -0.548 0.000 1.097 366 F HN 0.045 nan 8.300 nan 0.000 0.577 367 A N -0.643 122.080 122.820 -0.162 0.000 2.178 367 A HA 0.118 4.438 4.320 0.000 0.000 0.211 367 A C 1.098 178.428 177.584 -0.425 0.000 1.157 367 A CA 0.517 52.306 52.037 -0.415 0.000 0.780 367 A CB -0.631 17.787 19.000 -0.971 0.000 0.828 367 A HN 0.420 nan 8.150 nan 0.000 0.476 368 F N 0.347 120.508 119.950 0.350 0.000 2.706 368 F HA 0.153 4.680 4.527 0.000 0.000 0.313 368 F C 0.441 176.569 175.800 0.546 0.000 1.096 368 F CA -0.859 57.443 58.000 0.504 0.000 1.219 368 F CB 0.383 39.616 39.000 0.389 0.000 1.051 368 F HN 0.195 nan 8.300 nan 0.000 0.568 373 E N 0.792 121.068 120.200 0.126 0.000 2.502 373 E HA 0.121 4.471 4.350 0.000 0.000 0.194 373 E C 0.668 177.252 176.600 -0.026 0.000 1.062 373 E CA 0.034 56.461 56.400 0.044 0.000 0.867 373 E CB -0.183 29.523 29.700 0.009 0.000 0.888 373 E HN 0.264 nan 8.360 nan 0.000 0.510 374 N N 2.634 121.335 118.700 0.001 0.000 2.414 374 N HA -0.041 4.699 4.740 0.000 0.000 0.268 374 N C -1.617 173.808 175.510 -0.142 0.000 1.286 374 N CA -1.049 51.976 53.050 -0.042 0.000 0.896 374 N CB 0.907 39.423 38.487 0.050 0.000 1.093 374 N HN -0.082 nan 8.380 nan 0.000 0.480 375 P HA -0.075 nan 4.420 nan 0.000 0.228 375 P C 0.623 177.746 177.300 -0.295 0.000 1.151 375 P CA 1.129 64.016 63.100 -0.355 0.000 0.770 375 P CB -0.076 31.314 31.700 -0.517 0.000 0.786 376 F N -1.139 118.824 119.950 0.021 0.000 2.789 376 F HA 0.136 4.663 4.527 0.000 0.000 0.300 376 F C 1.315 177.112 175.800 -0.006 0.000 1.132 376 F CA -0.399 57.638 58.000 0.062 0.000 1.404 376 F CB -0.176 38.813 39.000 -0.018 0.000 1.114 376 F HN -0.250 nan 8.300 nan 0.000 0.584 377 L N 2.303 123.477 121.223 -0.080 0.000 2.367 377 L HA 0.108 4.448 4.340 0.000 0.000 0.275 377 L C -1.282 175.279 176.870 -0.515 0.000 1.129 377 L CA -1.735 52.894 54.840 -0.351 0.000 0.839 377 L CB 0.543 42.402 42.059 -0.334 0.000 1.133 377 L HN -0.183 nan 8.230 nan 0.000 0.453 378 P HA -0.229 nan 4.420 nan 0.000 0.217 378 P C 1.270 178.251 177.300 -0.533 0.000 1.148 378 P CA 1.449 63.764 63.100 -1.310 0.000 0.828 378 P CB -0.193 31.008 31.700 -0.832 0.000 0.783 379 H N -1.881 117.224 119.070 0.058 0.000 2.545 379 H HA 0.081 4.637 4.556 0.000 0.000 0.282 379 H C 0.767 176.139 175.328 0.073 0.000 1.020 379 H CA 0.796 56.957 56.048 0.188 0.000 1.243 379 H CB -0.806 29.145 29.762 0.315 0.000 1.377 379 H HN 0.113 nan 8.280 nan 0.000 0.581 380 N N 0.417 118.858 118.700 -0.432 0.000 2.280 380 N HA -0.021 4.719 4.740 0.000 0.000 0.192 380 N C -0.328 175.200 175.510 0.031 0.000 1.109 380 N CA -0.063 52.850 53.050 -0.228 0.000 0.855 380 N CB 0.078 38.381 38.487 -0.305 0.000 0.974 380 N HN 0.201 nan 8.380 nan 0.000 0.482 381 Y N 1.569 121.808 120.300 -0.103 0.000 2.357 381 Y HA 0.245 4.795 4.550 0.000 0.000 0.340 381 Y C -1.502 174.310 175.900 -0.147 0.000 1.260 381 Y CA -2.894 55.139 58.100 -0.112 0.000 1.425 381 Y CB -0.975 37.440 38.460 -0.074 0.000 1.326 381 Y HN -0.068 nan 8.280 nan 0.000 0.580 382 P HA 0.100 nan 4.420 nan 0.000 0.268 382 P C 0.102 177.210 177.300 -0.319 0.000 1.205 382 P CA 0.243 63.137 63.100 -0.343 0.000 0.771 382 P CB 0.706 31.906 31.700 -0.834 0.000 0.858 383 A N 3.152 125.844 122.820 -0.214 0.000 1.948 383 A HA -0.260 4.060 4.320 0.000 0.000 0.220 383 A C 1.803 179.358 177.584 -0.048 0.000 1.177 383 A CA 2.230 54.225 52.037 -0.070 0.000 0.636 383 A CB -1.765 17.236 19.000 0.002 0.000 0.815 383 A HN 0.829 nan 8.150 nan 0.000 0.449 384 H N -2.738 116.348 119.070 0.027 0.000 2.491 384 H HA 0.313 4.870 4.556 0.000 0.000 0.290 384 H C 1.424 176.764 175.328 0.021 0.000 1.050 384 H CA 0.886 56.944 56.048 0.017 0.000 1.309 384 H CB -0.747 29.014 29.762 -0.002 0.000 1.392 384 H HN 0.722 nan 8.280 nan 0.000 0.554 385 G N 0.616 109.336 108.800 -0.133 0.000 2.153 385 G HA2 -0.385 3.575 3.960 0.000 0.000 0.252 385 G HA3 -0.385 3.575 3.960 0.000 0.000 0.252 385 G C 0.330 175.257 174.900 0.045 0.000 0.994 385 G CA 0.170 45.258 45.100 -0.020 0.000 0.698 385 G HN 0.561 nan 8.290 nan 0.000 0.521 386 R N 0.189 120.824 120.500 0.225 0.000 4.154 386 R HA 0.406 4.747 4.340 0.000 0.000 0.186 386 R C 0.438 176.759 176.300 0.034 0.000 1.750 386 R CA 0.611 56.809 56.100 0.162 0.000 1.431 386 R CB 0.020 30.437 30.300 0.195 0.000 1.383 386 R HN 0.653 nan 8.270 nan 0.000 0.788 387 V N -2.769 117.107 119.914 -0.064 0.000 3.147 387 V HA 0.564 4.684 4.120 0.000 0.000 0.306 387 V C -0.373 175.615 176.094 -0.178 0.000 1.209 387 V CA -1.129 61.085 62.300 -0.143 0.000 1.023 387 V CB 2.418 34.086 31.823 -0.258 0.000 1.059 387 V HN -0.083 nan 8.190 nan 0.000 0.435 388 V N 2.241 122.042 119.914 -0.188 0.000 2.384 388 V HA 0.577 4.697 4.120 0.000 0.000 0.287 388 V C 0.016 175.920 176.094 -0.317 0.000 1.020 388 V CA -0.531 61.601 62.300 -0.280 0.000 0.850 388 V CB 1.458 33.130 31.823 -0.251 0.000 0.987 388 V HN 0.891 nan 8.190 nan 0.000 0.436 389 V N 6.873 126.549 119.914 -0.396 0.000 2.472 389 V HA 0.623 4.743 4.120 0.000 0.000 0.290 389 V C -1.165 174.641 176.094 -0.480 0.000 1.037 389 V CA -0.141 61.991 62.300 -0.280 0.000 0.908 389 V CB 1.361 33.139 31.823 -0.076 0.000 0.985 389 V HN 0.747 nan 8.190 nan 0.000 0.454 390 Y N 3.132 123.355 120.300 -0.127 0.000 2.524 390 Y HA 0.440 4.990 4.550 0.000 0.000 0.344 390 Y C 1.495 177.364 175.900 -0.051 0.000 1.012 390 Y CA -0.107 57.944 58.100 -0.082 0.000 1.068 390 Y CB 2.186 40.553 38.460 -0.155 0.000 1.249 390 Y HN 0.758 nan 8.280 nan 0.000 0.468 391 T N -1.373 113.303 114.554 0.202 0.000 2.668 391 T HA 0.263 4.613 4.350 0.000 0.000 0.262 391 T C 0.798 175.339 174.700 -0.267 0.000 1.045 391 T CA 0.935 62.984 62.100 -0.085 0.000 1.152 391 T CB -0.435 68.337 68.868 -0.161 0.000 0.864 391 T HN 0.815 nan 8.240 nan 0.000 0.419 392 G N 0.394 109.079 108.800 -0.193 0.000 2.690 392 G HA2 0.544 4.504 3.960 0.000 0.000 0.291 392 G HA3 0.544 4.504 3.960 0.000 0.000 0.291 392 G C -0.516 174.237 174.900 -0.246 0.000 1.403 392 G CA -0.277 44.616 45.100 -0.345 0.000 0.864 392 G HN 0.534 nan 8.290 nan 0.000 0.480 393 T N -2.623 111.694 114.554 -0.394 0.000 2.880 393 T HA 0.303 4.653 4.350 0.000 0.000 0.279 393 T C 1.658 176.194 174.700 -0.273 0.000 0.990 393 T CA 0.356 62.233 62.100 -0.372 0.000 0.938 393 T CB 0.895 69.431 68.868 -0.552 0.000 1.206 393 T HN 0.828 nan 8.240 nan 0.000 0.573 394 H N -0.360 118.639 119.070 -0.119 0.000 2.489 394 H HA -0.033 4.523 4.556 0.000 0.000 0.293 394 H C 0.658 175.904 175.328 -0.135 0.000 1.066 394 H CA 1.332 57.346 56.048 -0.056 0.000 1.305 394 H CB -0.483 29.341 29.762 0.103 0.000 1.386 394 H HN 0.553 nan 8.280 nan 0.000 0.551 395 D N 0.717 120.673 120.400 -0.739 0.000 2.347 395 D HA 0.020 4.660 4.640 0.000 0.000 0.213 395 D C 0.077 176.171 176.300 -0.344 0.000 0.985 395 D CA 0.174 53.880 54.000 -0.490 0.000 0.879 395 D CB 0.024 40.524 40.800 -0.501 0.000 0.919 395 D HN 0.519 nan 8.370 nan 0.000 0.526 396 N N 0.436 118.930 118.700 -0.343 0.000 2.476 396 N HA 0.111 4.851 4.740 0.000 0.000 0.276 396 N C -0.157 175.201 175.510 -0.253 0.000 1.204 396 N CA -0.675 52.198 53.050 -0.296 0.000 0.974 396 N CB 1.258 39.525 38.487 -0.366 0.000 1.204 396 N HN -0.194 nan 8.380 nan 0.000 0.543 397 D N -0.133 120.144 120.400 -0.205 0.000 2.363 397 D HA 0.012 4.652 4.640 0.000 0.000 0.240 397 D C 0.020 176.247 176.300 -0.121 0.000 1.236 397 D CA -0.068 53.845 54.000 -0.146 0.000 0.927 397 D CB 0.554 41.315 40.800 -0.065 0.000 1.150 397 D HN 0.537 nan 8.370 nan 0.000 0.458 398 T N -1.111 113.376 114.554 -0.112 0.000 2.855 398 T HA 0.030 4.380 4.350 0.000 0.000 0.322 398 T C 1.356 176.047 174.700 -0.016 0.000 1.088 398 T CA -0.080 61.953 62.100 -0.112 0.000 1.104 398 T CB 0.377 69.163 68.868 -0.136 0.000 0.996 398 T HN 0.321 nan 8.240 nan 0.000 0.549 399 T N 1.374 115.908 114.554 -0.034 0.000 2.821 399 T HA -0.058 4.292 4.350 0.000 0.000 0.267 399 T C 1.789 176.617 174.700 0.213 0.000 1.046 399 T CA 1.052 63.191 62.100 0.066 0.000 1.139 399 T CB -0.376 68.447 68.868 -0.075 0.000 0.871 399 T HN 0.503 nan 8.240 nan 0.000 0.454 400 L N 1.489 122.766 121.223 0.089 0.000 2.093 400 L HA 0.142 4.482 4.340 0.000 0.000 0.208 400 L C 2.500 179.446 176.870 0.127 0.000 1.085 400 L CA 1.860 56.760 54.840 0.101 0.000 0.755 400 L CB -1.181 40.902 42.059 0.040 0.000 0.904 400 L HN 0.264 nan 8.230 nan 0.000 0.435 401 G N -1.186 107.667 108.800 0.088 0.000 2.421 401 G HA2 -0.375 3.585 3.960 0.000 0.000 0.216 401 G HA3 -0.375 3.585 3.960 0.000 0.000 0.216 401 G C 1.392 176.346 174.900 0.091 0.000 1.171 401 G CA 0.745 45.883 45.100 0.064 0.000 0.775 401 G HN 0.654 nan 8.290 nan 0.000 0.543 402 W N 0.336 121.617 121.300 -0.032 0.000 2.355 402 W HA -0.119 4.541 4.660 0.000 0.000 0.309 402 W C 2.217 178.748 176.519 0.021 0.000 1.206 402 W CA 1.503 58.835 57.345 -0.022 0.000 1.284 402 W CB -0.501 28.937 29.460 -0.035 0.000 1.145 402 W HN 0.201 nan 8.180 nan 0.000 0.502 403 Y N 1.517 121.690 120.300 -0.212 0.000 2.165 403 Y HA -0.211 4.340 4.550 0.000 0.000 0.286 403 Y C 2.550 178.214 175.900 -0.395 0.000 1.155 403 Y CA 2.629 60.405 58.100 -0.541 0.000 1.164 403 Y CB -0.674 37.684 38.460 -0.170 0.000 0.978 403 Y HN -0.102 nan 8.280 nan 0.000 0.513 404 R N -0.977 119.433 120.500 -0.150 0.000 2.193 404 R HA -0.106 4.234 4.340 0.000 0.000 0.229 404 R C 1.636 177.796 176.300 -0.234 0.000 1.110 404 R CA 1.663 57.671 56.100 -0.153 0.000 0.988 404 R CB -0.402 29.885 30.300 -0.022 0.000 0.871 404 R HN 0.491 nan 8.270 nan 0.000 0.458 405 T N -3.270 111.115 114.554 -0.282 0.000 3.092 405 T HA 0.405 4.755 4.350 0.000 0.000 0.258 405 T C 0.508 174.996 174.700 -0.353 0.000 1.031 405 T CA -0.231 61.722 62.100 -0.244 0.000 0.925 405 T CB 0.577 69.366 68.868 -0.131 0.000 1.036 405 T HN 0.112 nan 8.240 nan 0.000 0.544 406 A N 2.558 125.010 122.820 -0.612 0.000 2.386 406 A HA 0.560 4.881 4.320 0.000 0.000 0.248 406 A C 0.956 178.280 177.584 -0.434 0.000 1.082 406 A CA -0.336 51.302 52.037 -0.664 0.000 0.789 406 A CB -0.080 18.248 19.000 -1.120 0.000 1.025 406 A HN 0.612 nan 8.150 nan 0.000 0.490 407 T N 0.040 114.396 114.554 -0.330 0.000 2.898 407 T HA 0.306 4.656 4.350 0.000 0.000 0.301 407 T C -1.861 172.684 174.700 -0.259 0.000 1.049 407 T CA -0.921 61.024 62.100 -0.258 0.000 1.095 407 T CB 0.413 69.102 68.868 -0.298 0.000 0.976 407 T HN 0.367 nan 8.240 nan 0.000 0.539 408 P HA -0.250 nan 4.420 nan 0.000 0.216 408 P C 1.672 178.982 177.300 0.016 0.000 1.157 408 P CA 1.716 64.787 63.100 -0.049 0.000 0.880 408 P CB -0.252 31.462 31.700 0.022 0.000 0.791 409 H N -0.498 118.606 119.070 0.057 0.000 2.389 409 H HA -0.015 4.541 4.556 0.000 0.000 0.299 409 H C 1.555 177.004 175.328 0.201 0.000 1.081 409 H CA 1.223 57.339 56.048 0.113 0.000 1.345 409 H CB -0.827 28.990 29.762 0.092 0.000 1.393 409 H HN 0.203 nan 8.280 nan 0.000 0.520 410 E N 1.295 121.353 120.200 -0.238 0.000 2.051 410 E HA -0.116 4.234 4.350 0.000 0.000 0.192 410 E C 2.368 179.041 176.600 0.121 0.000 0.991 410 E CA 1.022 57.456 56.400 0.058 0.000 0.799 410 E CB 0.123 29.794 29.700 -0.048 0.000 0.748 410 E HN 0.522 nan 8.360 nan 0.000 0.449 411 K N 0.309 120.687 120.400 -0.036 0.000 2.057 411 K HA -0.115 4.205 4.320 0.000 0.000 0.207 411 K C 2.188 178.879 176.600 0.153 0.000 1.049 411 K CA 1.097 57.392 56.287 0.014 0.000 0.931 411 K CB -0.123 32.284 32.500 -0.155 0.000 0.714 411 K HN 0.045 nan 8.250 nan 0.000 0.440 412 A N 1.082 123.996 122.820 0.157 0.000 1.898 412 A HA -0.157 4.163 4.320 0.000 0.000 0.216 412 A C 1.975 179.729 177.584 0.283 0.000 1.181 412 A CA 1.066 53.221 52.037 0.196 0.000 0.620 412 A CB -0.590 18.518 19.000 0.181 0.000 0.819 412 A HN 0.323 nan 8.150 nan 0.000 0.442 413 F N 0.123 120.180 119.950 0.179 0.000 2.146 413 F HA -0.113 4.414 4.527 0.000 0.000 0.298 413 F C 2.223 178.166 175.800 0.238 0.000 1.096 413 F CA 1.668 59.816 58.000 0.246 0.000 1.275 413 F CB -0.451 38.742 39.000 0.321 0.000 1.008 413 F HN 0.263 nan 8.300 nan 0.000 0.480 414 M N 0.092 119.639 119.600 -0.089 0.000 2.082 414 M HA -0.229 4.251 4.480 0.000 0.000 0.258 414 M C 2.312 178.509 176.300 -0.172 0.000 1.069 414 M CA 2.286 57.227 55.300 -0.600 0.000 1.102 414 M CB -0.563 31.614 32.600 -0.705 0.000 1.336 414 M HN 0.241 nan 8.290 nan 0.000 0.404 415 A N 0.361 123.228 122.820 0.078 0.000 1.908 415 A HA -0.242 4.079 4.320 0.000 0.000 0.218 415 A C 2.059 179.708 177.584 0.109 0.000 1.181 415 A CA 2.090 54.234 52.037 0.179 0.000 0.627 415 A CB -0.735 18.356 19.000 0.152 0.000 0.818 415 A HN 0.559 nan 8.150 nan 0.000 0.445 416 R N -1.317 119.254 120.500 0.118 0.000 2.073 416 R HA -0.107 4.233 4.340 0.000 0.000 0.229 416 R C 1.869 178.243 176.300 0.123 0.000 1.120 416 R CA 1.908 58.087 56.100 0.132 0.000 0.967 416 R CB -1.365 29.065 30.300 0.216 0.000 0.862 416 R HN 0.586 nan 8.270 nan 0.000 0.436 417 Y N 0.526 120.798 120.300 -0.047 0.000 2.145 417 Y HA -0.116 4.434 4.550 0.000 0.000 0.286 417 Y C 1.960 177.940 175.900 0.134 0.000 1.145 417 Y CA 1.941 60.037 58.100 -0.006 0.000 1.148 417 Y CB -0.208 38.117 38.460 -0.224 0.000 0.981 417 Y HN 0.023 nan 8.280 nan 0.000 0.507 418 L N -0.488 120.854 121.223 0.199 0.000 2.012 418 L HA -0.296 4.045 4.340 0.000 0.000 0.210 418 L C 2.766 179.715 176.870 0.132 0.000 1.073 418 L CA 1.325 56.263 54.840 0.163 0.000 0.748 418 L CB -1.014 41.138 42.059 0.155 0.000 0.891 418 L HN 0.335 nan 8.230 nan 0.000 0.431 419 A N -0.328 122.545 122.820 0.089 0.000 1.940 419 A HA -0.252 4.068 4.320 0.000 0.000 0.219 419 A C 1.863 179.453 177.584 0.009 0.000 1.176 419 A CA 2.061 54.124 52.037 0.043 0.000 0.631 419 A CB -0.553 18.460 19.000 0.022 0.000 0.814 419 A HN 0.383 nan 8.150 nan 0.000 0.446 420 D N -1.618 118.771 120.400 -0.018 0.000 2.218 420 D HA -0.137 4.503 4.640 0.000 0.000 0.204 420 D C 0.983 177.159 176.300 -0.208 0.000 0.976 420 D CA 0.863 54.784 54.000 -0.132 0.000 0.853 420 D CB -0.258 40.404 40.800 -0.230 0.000 0.939 420 D HN 0.766 nan 8.370 nan 0.000 0.481 421 W N 0.084 121.252 121.300 -0.219 0.000 3.316 421 W HA 0.361 5.021 4.660 0.000 0.000 0.327 421 W C 1.470 177.909 176.519 -0.133 0.000 1.232 421 W CA 0.425 57.664 57.345 -0.177 0.000 1.805 421 W CB 0.255 29.613 29.460 -0.170 0.000 1.090 421 W HN 0.039 nan 8.180 nan 0.000 0.654 422 G N 0.658 109.486 108.800 0.047 0.000 2.159 422 G HA2 -0.319 3.642 3.960 0.000 0.000 0.256 422 G HA3 -0.319 3.642 3.960 0.000 0.000 0.256 422 G C 0.047 174.974 174.900 0.044 0.000 0.977 422 G CA -0.171 44.942 45.100 0.021 0.000 0.652 422 G HN 0.195 nan 8.290 nan 0.000 0.531 423 I N 2.149 122.762 120.570 0.071 0.000 2.331 423 I HA 0.556 4.727 4.170 0.000 0.000 0.292 423 I C 0.765 176.962 176.117 0.134 0.000 0.998 423 I CA 0.069 61.427 61.300 0.097 0.000 1.267 423 I CB 1.667 39.712 38.000 0.076 0.000 1.386 423 I HN 0.280 nan 8.210 nan 0.000 0.476 424 T N 3.058 117.698 114.554 0.144 0.000 2.901 424 T HA 0.824 5.174 4.350 0.000 0.000 0.293 424 T C -0.692 174.128 174.700 0.200 0.000 1.084 424 T CA -0.758 61.400 62.100 0.097 0.000 1.008 424 T CB 2.117 70.981 68.868 -0.007 0.000 1.170 424 T HN 0.430 nan 8.240 nan 0.000 0.509 425 F N -1.108 118.839 119.950 -0.005 0.000 2.668 425 F HA 0.751 5.279 4.527 0.000 0.000 0.309 425 F C 0.385 176.172 175.800 -0.022 0.000 1.117 425 F CA -1.325 56.664 58.000 -0.018 0.000 0.951 425 F CB 1.524 40.499 39.000 -0.043 0.000 1.323 425 F HN 0.469 nan 8.300 nan 0.000 0.451 426 R N -0.103 120.449 120.500 0.086 0.000 2.191 426 R HA 0.305 4.645 4.340 0.000 0.000 0.196 426 R C -0.532 175.824 176.300 0.094 0.000 0.991 426 R CA 0.254 56.352 56.100 -0.004 0.000 1.075 426 R CB 0.294 30.598 30.300 0.007 0.000 1.040 426 R HN 0.751 nan 8.270 nan 0.000 0.526 427 E N 0.137 120.457 120.200 0.201 0.000 2.299 427 E HA 0.080 4.430 4.350 0.000 0.000 0.265 427 E C 0.344 177.042 176.600 0.162 0.000 0.911 427 E CA -0.238 56.258 56.400 0.160 0.000 0.789 427 E CB 2.055 31.806 29.700 0.084 0.000 1.246 427 E HN 0.118 nan 8.360 nan 0.000 0.427 428 E N 0.904 121.162 120.200 0.096 0.000 2.153 428 E HA -0.234 4.117 4.350 0.000 0.000 0.194 428 E C 0.595 177.121 176.600 -0.123 0.000 0.988 428 E CA 1.264 57.628 56.400 -0.060 0.000 0.811 428 E CB 0.037 29.820 29.700 0.139 0.000 0.746 428 E HN 0.395 nan 8.360 nan 0.000 0.466 429 E N 1.140 121.329 120.200 -0.018 0.000 2.333 429 E HA -0.128 4.222 4.350 0.000 0.000 0.198 429 E C 1.381 177.974 176.600 -0.012 0.000 1.007 429 E CA 1.098 57.496 56.400 -0.003 0.000 0.845 429 E CB 0.024 29.741 29.700 0.029 0.000 0.766 429 E HN 0.477 nan 8.360 nan 0.000 0.507 430 E N -0.213 119.962 120.200 -0.040 0.000 2.481 430 E HA -0.027 4.323 4.350 0.000 0.000 0.195 430 E C 1.569 178.060 176.600 -0.181 0.000 1.047 430 E CA 0.079 56.463 56.400 -0.027 0.000 0.867 430 E CB 0.339 30.077 29.700 0.063 0.000 0.858 430 E HN 0.093 nan 8.360 nan 0.000 0.513 431 V N 1.628 121.286 119.914 -0.427 0.000 2.343 431 V HA -0.182 3.938 4.120 0.000 0.000 0.247 431 V C -0.815 175.089 176.094 -0.317 0.000 1.051 431 V CA 1.796 63.701 62.300 -0.658 0.000 1.036 431 V CB -1.270 29.983 31.823 -0.949 0.000 0.654 431 V HN 0.190 nan 8.190 nan 0.000 0.451 432 P HA -0.180 nan 4.420 nan 0.000 0.215 432 P C 1.253 178.403 177.300 -0.249 0.000 1.157 432 P CA 1.747 64.740 63.100 -0.178 0.000 0.874 432 P CB -0.130 31.509 31.700 -0.101 0.000 0.790 433 W N -0.396 120.790 121.300 -0.190 0.000 2.402 433 W HA 0.029 4.689 4.660 0.000 0.000 0.286 433 W C 2.624 179.063 176.519 -0.134 0.000 1.221 433 W CA 1.329 58.574 57.345 -0.166 0.000 1.257 433 W CB -1.111 28.285 29.460 -0.106 0.000 1.120 433 W HN -0.103 nan 8.180 nan 0.000 0.551 434 A N -0.131 122.716 122.820 0.044 0.000 1.902 434 A HA -0.161 4.160 4.320 0.000 0.000 0.217 434 A C 1.962 179.525 177.584 -0.035 0.000 1.181 434 A CA 1.410 53.464 52.037 0.028 0.000 0.623 434 A CB -0.936 18.013 19.000 -0.084 0.000 0.818 434 A HN 0.269 nan 8.150 nan 0.000 0.443 435 L N -1.205 119.929 121.223 -0.148 0.000 2.109 435 L HA -0.154 4.186 4.340 0.000 0.000 0.207 435 L C 2.834 179.565 176.870 -0.233 0.000 1.086 435 L CA 1.149 55.896 54.840 -0.154 0.000 0.760 435 L CB -0.441 41.514 42.059 -0.173 0.000 0.910 435 L HN 0.431 nan 8.230 nan 0.000 0.437 436 M N -1.316 118.009 119.600 -0.458 0.000 2.108 436 M HA -0.279 4.201 4.480 0.000 0.000 0.261 436 M C 2.257 178.427 176.300 -0.216 0.000 1.066 436 M CA 1.756 56.572 55.300 -0.807 0.000 1.107 436 M CB -0.705 31.162 32.600 -1.221 0.000 1.356 436 M HN 0.327 nan 8.290 nan 0.000 0.406 437 H N -0.019 118.948 119.070 -0.171 0.000 2.321 437 H HA -0.200 4.356 4.556 0.000 0.000 0.300 437 H C 2.110 177.427 175.328 -0.018 0.000 1.087 437 H CA 1.339 57.370 56.048 -0.028 0.000 1.319 437 H CB 0.198 29.985 29.762 0.042 0.000 1.379 437 H HN 0.196 nan 8.280 nan 0.000 0.501 438 L N 0.609 121.828 121.223 -0.006 0.000 1.990 438 L HA -0.114 4.226 4.340 0.000 0.000 0.213 438 L C 2.623 179.403 176.870 -0.151 0.000 1.072 438 L CA 2.173 56.915 54.840 -0.164 0.000 0.755 438 L CB -1.081 40.886 42.059 -0.153 0.000 0.889 438 L HN 0.376 nan 8.230 nan 0.000 0.432 439 G N -0.961 107.836 108.800 -0.006 0.000 2.440 439 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 439 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 439 G C 1.540 176.511 174.900 0.119 0.000 1.154 439 G CA 1.080 46.241 45.100 0.101 0.000 0.767 439 G HN 0.419 nan 8.290 nan 0.000 0.552 440 M N -0.024 119.680 119.600 0.172 0.000 2.229 440 M HA 0.011 4.491 4.480 0.000 0.000 0.264 440 M C 2.425 178.808 176.300 0.139 0.000 1.063 440 M CA 1.056 56.452 55.300 0.160 0.000 1.114 440 M CB -0.221 32.487 32.600 0.181 0.000 1.387 440 M HN 0.179 nan 8.290 nan 0.000 0.420 441 K N 0.303 120.769 120.400 0.110 0.000 2.288 441 K HA -0.021 4.299 4.320 0.000 0.000 0.201 441 K C 1.187 177.897 176.600 0.184 0.000 1.048 441 K CA 0.539 56.919 56.287 0.155 0.000 0.956 441 K CB -0.043 32.567 32.500 0.183 0.000 0.746 441 K HN 0.355 nan 8.250 nan 0.000 0.461 442 S N -0.156 115.561 115.700 0.028 0.000 2.617 442 S HA 0.004 4.474 4.470 0.000 0.000 0.259 442 S C 1.192 175.883 174.600 0.152 0.000 1.301 442 S CA -0.692 57.532 58.200 0.040 0.000 0.984 442 S CB 1.420 64.590 63.200 -0.051 0.000 0.954 442 S HN -0.048 nan 8.310 nan 0.000 0.572 443 V N 0.635 120.658 119.914 0.181 0.000 3.380 443 V HA 0.256 4.376 4.120 0.000 0.000 0.268 443 V C 1.364 177.541 176.094 0.138 0.000 1.168 443 V CA 0.809 63.204 62.300 0.158 0.000 1.156 443 V CB -1.313 30.596 31.823 0.143 0.000 0.785 443 V HN 1.016 nan 8.190 nan 0.000 0.487 444 A N 0.702 123.630 122.820 0.179 0.000 2.566 444 A HA 0.123 4.443 4.320 0.000 0.000 0.245 444 A C 1.497 179.089 177.584 0.013 0.000 1.056 444 A CA 0.014 52.091 52.037 0.066 0.000 0.757 444 A CB 0.057 19.072 19.000 0.026 0.000 0.979 444 A HN 0.444 nan 8.150 nan 0.000 0.508 445 R N 1.417 121.907 120.500 -0.016 0.000 2.091 445 R HA -0.068 4.272 4.340 0.000 0.000 0.238 445 R C 0.155 176.412 176.300 -0.072 0.000 1.136 445 R CA 1.222 57.308 56.100 -0.023 0.000 0.959 445 R CB -0.558 29.726 30.300 -0.026 0.000 0.856 445 R HN 0.725 nan 8.270 nan 0.000 0.437 446 L N 0.471 121.599 121.223 -0.159 0.000 2.341 446 L HA 0.492 4.832 4.340 0.000 0.000 0.278 446 L C -0.562 176.130 176.870 -0.296 0.000 1.005 446 L CA -0.839 53.850 54.840 -0.251 0.000 0.818 446 L CB 2.016 43.824 42.059 -0.420 0.000 1.259 446 L HN -0.052 nan 8.230 nan 0.000 0.418 447 A N 3.943 126.594 122.820 -0.281 0.000 2.287 447 A HA 0.768 5.088 4.320 0.000 0.000 0.317 447 A C -0.746 176.426 177.584 -0.688 0.000 1.220 447 A CA -0.452 51.287 52.037 -0.497 0.000 0.835 447 A CB 1.297 20.092 19.000 -0.341 0.000 1.180 447 A HN 0.411 nan 8.150 nan 0.000 0.500 448 V N 3.469 122.802 119.914 -0.968 0.000 2.531 448 V HA 0.423 4.543 4.120 0.000 0.000 0.301 448 V C -1.239 174.520 176.094 -0.559 0.000 1.034 448 V CA -0.366 61.548 62.300 -0.643 0.000 0.865 448 V CB 1.125 32.653 31.823 -0.491 0.000 0.995 448 V HN 0.831 nan 8.190 nan 0.000 0.424 449 Y N 5.307 125.660 120.300 0.089 0.000 2.409 449 Y HA 0.527 5.077 4.550 0.000 0.000 0.343 449 Y C -2.198 173.782 175.900 0.134 0.000 0.973 449 Y CA -2.966 55.173 58.100 0.065 0.000 1.064 449 Y CB 2.607 41.035 38.460 -0.054 0.000 1.207 449 Y HN 0.425 nan 8.280 nan 0.000 0.452 450 P HA -0.024 nan 4.420 nan 0.000 0.268 450 P C 0.654 178.032 177.300 0.131 0.000 1.205 450 P CA 0.059 63.263 63.100 0.175 0.000 0.771 450 P CB 1.526 33.258 31.700 0.054 0.000 0.858 451 V N 2.634 122.654 119.914 0.177 0.000 2.594 451 V HA -0.242 3.878 4.120 0.000 0.000 0.253 451 V C 2.414 178.514 176.094 0.011 0.000 1.069 451 V CA 1.892 64.302 62.300 0.182 0.000 1.082 451 V CB -1.261 30.755 31.823 0.322 0.000 0.680 451 V HN 0.513 nan 8.190 nan 0.000 0.469 452 Q N -0.174 119.476 119.800 -0.250 0.000 2.181 452 Q HA -0.209 4.131 4.340 0.000 0.000 0.205 452 Q C 1.869 177.749 176.000 -0.200 0.000 0.980 452 Q CA 1.806 57.350 55.803 -0.431 0.000 0.862 452 Q CB -0.263 28.062 28.738 -0.689 0.000 0.905 452 Q HN 0.584 nan 8.270 nan 0.000 0.429 453 D N -0.922 119.386 120.400 -0.153 0.000 2.213 453 D HA -0.048 4.592 4.640 0.000 0.000 0.205 453 D C 1.789 177.981 176.300 -0.181 0.000 0.961 453 D CA 0.510 54.410 54.000 -0.167 0.000 0.853 453 D CB 0.034 40.701 40.800 -0.221 0.000 0.967 453 D HN 0.048 nan 8.370 nan 0.000 0.496 454 V N 1.076 120.912 119.914 -0.131 0.000 2.392 454 V HA -0.207 3.913 4.120 0.000 0.000 0.249 454 V C 2.313 178.576 176.094 0.281 0.000 1.059 454 V CA 1.255 63.556 62.300 0.002 0.000 1.051 454 V CB -0.397 31.493 31.823 0.111 0.000 0.658 454 V HN 0.235 nan 8.190 nan 0.000 0.455 455 L N -0.064 121.212 121.223 0.088 0.000 2.558 455 L HA 0.348 4.688 4.340 0.000 0.000 0.225 455 L C 1.377 178.343 176.870 0.159 0.000 1.128 455 L CA 0.497 55.393 54.840 0.093 0.000 0.868 455 L CB -0.527 41.550 42.059 0.031 0.000 1.006 455 L HN 0.378 nan 8.230 nan 0.000 0.454 456 A N 0.797 123.699 122.820 0.137 0.000 2.687 456 A HA -0.202 4.118 4.320 0.000 0.000 0.299 456 A C 0.229 177.839 177.584 0.045 0.000 1.497 456 A CA 0.510 52.608 52.037 0.102 0.000 0.751 456 A CB -2.348 16.759 19.000 0.178 0.000 1.048 456 A HN 0.343 nan 8.150 nan 0.000 0.464 457 L N -0.479 120.735 121.223 -0.016 0.000 2.399 457 L HA 0.582 4.922 4.340 0.000 0.000 0.266 457 L C 1.516 178.358 176.870 -0.047 0.000 1.114 457 L CA -0.050 54.769 54.840 -0.034 0.000 0.804 457 L CB 0.953 42.951 42.059 -0.102 0.000 1.146 457 L HN 0.574 nan 8.230 nan 0.000 0.451 458 G N 0.147 108.936 108.800 -0.017 0.000 2.508 458 G HA2 0.129 4.089 3.960 0.000 0.000 0.278 458 G HA3 0.129 4.089 3.960 0.000 0.000 0.278 458 G C 0.783 175.664 174.900 -0.032 0.000 1.389 458 G CA -0.339 44.757 45.100 -0.008 0.000 1.050 458 G HN 0.635 nan 8.290 nan 0.000 0.522 459 S N 0.256 115.952 115.700 -0.007 0.000 2.442 459 S HA -0.119 4.351 4.470 0.000 0.000 0.236 459 S C 2.240 176.840 174.600 -0.001 0.000 1.007 459 S CA 1.437 59.632 58.200 -0.008 0.000 0.965 459 S CB -0.183 63.030 63.200 0.023 0.000 0.773 459 S HN 0.770 nan 8.310 nan 0.000 0.504 460 E N 1.903 122.112 120.200 0.016 0.000 2.265 460 E HA -0.095 4.255 4.350 0.000 0.000 0.196 460 E C 1.332 177.959 176.600 0.044 0.000 0.996 460 E CA 1.238 57.666 56.400 0.047 0.000 0.832 460 E CB -0.288 29.453 29.700 0.068 0.000 0.756 460 E HN 0.485 nan 8.360 nan 0.000 0.491 461 A N 1.294 124.070 122.820 -0.073 0.000 2.345 461 A HA 0.132 4.452 4.320 0.000 0.000 0.225 461 A C 1.173 178.549 177.584 -0.347 0.000 1.243 461 A CA -0.332 51.521 52.037 -0.307 0.000 0.875 461 A CB -0.452 18.152 19.000 -0.660 0.000 0.929 461 A HN 0.141 nan 8.150 nan 0.000 0.502 462 R N -0.267 120.138 120.500 -0.158 0.000 2.522 462 R HA 0.145 4.486 4.340 0.000 0.000 0.284 462 R C 1.044 177.294 176.300 -0.084 0.000 1.032 462 R CA -0.010 56.007 56.100 -0.139 0.000 1.049 462 R CB 0.277 30.521 30.300 -0.093 0.000 0.956 462 R HN 0.300 nan 8.270 nan 0.000 0.422 463 M N 2.971 122.515 119.600 -0.095 0.000 2.134 463 M HA 0.029 4.509 4.480 0.000 0.000 0.262 463 M C -0.192 175.918 176.300 -0.317 0.000 1.076 463 M CA 1.683 56.958 55.300 -0.040 0.000 1.143 463 M CB -0.155 32.497 32.600 0.086 0.000 1.346 463 M HN 0.650 nan 8.290 nan 0.000 0.421 464 N N -1.047 117.414 118.700 -0.399 0.000 2.287 464 N HA 0.207 4.947 4.740 0.000 0.000 0.289 464 N C -2.181 173.170 175.510 -0.265 0.000 1.066 464 N CA -0.515 52.172 53.050 -0.605 0.000 0.841 464 N CB 1.070 38.931 38.487 -1.044 0.000 1.599 464 N HN 0.249 nan 8.380 nan 0.000 0.476 465 Y N 3.467 123.595 120.300 -0.287 0.000 2.575 465 Y HA 0.468 5.018 4.550 0.000 0.000 0.326 465 Y C -2.296 173.533 175.900 -0.119 0.000 0.979 465 Y CA -2.509 55.496 58.100 -0.158 0.000 1.286 465 Y CB 1.385 39.781 38.460 -0.108 0.000 1.093 465 Y HN 0.480 nan 8.280 nan 0.000 0.501 466 P HA 0.079 nan 4.420 nan 0.000 0.265 466 P C 0.643 178.049 177.300 0.176 0.000 1.187 466 P CA 2.037 65.218 63.100 0.135 0.000 0.766 466 P CB 0.974 32.728 31.700 0.090 0.000 0.820 467 G N 2.609 111.479 108.800 0.117 0.000 3.079 467 G HA2 -0.283 3.678 3.960 0.000 0.000 0.214 467 G HA3 -0.283 3.678 3.960 0.000 0.000 0.214 467 G C 0.187 175.096 174.900 0.016 0.000 1.335 467 G CA -0.374 44.773 45.100 0.078 0.000 0.822 467 G HN 0.568 nan 8.290 nan 0.000 0.545 468 R N 2.510 122.984 120.500 -0.043 0.000 2.446 468 R HA 0.315 4.655 4.340 0.000 0.000 0.325 468 R C -1.051 175.223 176.300 -0.043 0.000 0.997 468 R CA -0.326 55.715 56.100 -0.099 0.000 1.010 468 R CB 0.832 30.998 30.300 -0.223 0.000 0.946 468 R HN 0.351 nan 8.270 nan 0.000 0.422 469 P HA -0.065 nan 4.420 nan 0.000 0.229 469 P C -0.588 176.680 177.300 -0.052 0.000 1.160 469 P CA 0.755 63.826 63.100 -0.048 0.000 0.777 469 P CB 0.494 32.164 31.700 -0.049 0.000 0.814 470 S N -2.536 113.149 115.700 -0.024 0.000 2.599 470 S HA 0.641 5.112 4.470 0.000 0.000 0.294 470 S C 0.823 175.429 174.600 0.011 0.000 1.094 470 S CA -0.145 58.061 58.200 0.010 0.000 0.931 470 S CB 1.536 64.759 63.200 0.040 0.000 1.093 470 S HN 0.213 nan 8.310 nan 0.000 0.488 471 G N 0.994 109.827 108.800 0.055 0.000 2.176 471 G HA2 -0.209 3.751 3.960 0.000 0.000 0.253 471 G HA3 -0.209 3.751 3.960 0.000 0.000 0.253 471 G C -0.216 174.708 174.900 0.040 0.000 0.979 471 G CA -0.156 44.983 45.100 0.065 0.000 0.641 471 G HN 0.717 nan 8.290 nan 0.000 0.530 472 N N -0.505 118.178 118.700 -0.028 0.000 2.482 472 N HA 0.454 5.195 4.740 0.000 0.000 0.279 472 N C 0.760 176.227 175.510 -0.073 0.000 1.182 472 N CA 0.206 53.077 53.050 -0.298 0.000 0.969 472 N CB 0.287 38.324 38.487 -0.750 0.000 1.201 472 N HN 0.476 nan 8.380 nan 0.000 0.523 473 W N -1.507 119.909 121.300 0.194 0.000 3.456 473 W HA -0.243 4.418 4.660 0.000 0.000 0.314 473 W C 0.692 177.453 176.519 0.404 0.000 1.192 473 W CA 0.355 57.847 57.345 0.246 0.000 0.654 473 W CB -2.008 27.535 29.460 0.138 0.000 2.251 473 W HN 0.645 nan 8.180 nan 0.000 1.360 474 A N -1.620 121.471 122.820 0.452 0.000 2.288 474 A HA 0.266 4.587 4.320 0.000 0.000 0.216 474 A C 0.424 178.152 177.584 0.240 0.000 1.199 474 A CA -0.001 52.254 52.037 0.362 0.000 0.891 474 A CB -0.175 19.013 19.000 0.313 0.000 0.923 474 A HN 0.323 nan 8.150 nan 0.000 0.500 475 W N 2.217 123.589 121.300 0.120 0.000 2.223 475 W HA 0.439 5.099 4.660 0.000 0.000 0.334 475 W C 0.120 176.674 176.519 0.059 0.000 1.334 475 W CA 0.353 57.741 57.345 0.072 0.000 1.246 475 W CB 0.302 29.798 29.460 0.060 0.000 1.184 475 W HN 0.118 nan 8.180 nan 0.000 0.563 476 R N 5.799 125.701 120.500 -0.996 0.000 2.744 476 R HA 0.450 4.790 4.340 0.000 0.000 0.279 476 R C -0.703 174.775 176.300 -1.370 0.000 0.977 476 R CA -1.358 54.100 56.100 -1.069 0.000 0.906 476 R CB 1.617 31.611 30.300 -0.509 0.000 1.197 476 R HN 0.463 nan 8.270 nan 0.000 0.463 477 L N 2.798 123.357 121.223 -1.108 0.000 2.483 477 L HA 0.156 4.496 4.340 0.000 0.000 0.275 477 L C 0.081 176.755 176.870 -0.327 0.000 1.220 477 L CA 0.081 54.580 54.840 -0.568 0.000 0.833 477 L CB 0.217 42.051 42.059 -0.375 0.000 1.102 477 L HN 0.320 nan 8.230 nan 0.000 0.490 478 L N 2.930 124.051 121.223 -0.170 0.000 2.399 478 L HA 0.394 4.734 4.340 0.000 0.000 0.265 478 L C -2.103 174.710 176.870 -0.095 0.000 1.089 478 L CA -2.065 52.708 54.840 -0.112 0.000 0.802 478 L CB 0.583 42.613 42.059 -0.048 0.000 1.180 478 L HN 0.351 nan 8.230 nan 0.000 0.454 479 P HA 0.061 nan 4.420 nan 0.000 0.263 479 P C 0.684 177.963 177.300 -0.035 0.000 1.195 479 P CA 0.600 63.660 63.100 -0.066 0.000 0.762 479 P CB 0.663 32.326 31.700 -0.061 0.000 0.799 480 G N 2.582 111.366 108.800 -0.028 0.000 2.184 480 G HA2 -0.348 3.612 3.960 0.000 0.000 0.264 480 G HA3 -0.348 3.612 3.960 0.000 0.000 0.264 480 G C 1.079 175.995 174.900 0.027 0.000 0.975 480 G CA 0.504 45.606 45.100 0.004 0.000 0.642 480 G HN 0.553 nan 8.290 nan 0.000 0.536 481 E N -0.853 119.351 120.200 0.007 0.000 2.051 481 E HA 0.010 4.360 4.350 0.000 0.000 0.192 481 E C 1.087 177.714 176.600 0.045 0.000 0.991 481 E CA 0.497 56.921 56.400 0.041 0.000 0.799 481 E CB -0.066 29.650 29.700 0.027 0.000 0.748 481 E HN 0.417 nan 8.360 nan 0.000 0.449 482 L N 2.305 123.491 121.223 -0.061 0.000 2.385 482 L HA 0.092 4.432 4.340 0.000 0.000 0.285 482 L C -0.243 176.634 176.870 0.011 0.000 1.125 482 L CA 0.045 54.780 54.840 -0.174 0.000 0.890 482 L CB 0.338 42.133 42.059 -0.440 0.000 1.251 482 L HN 0.040 nan 8.230 nan 0.000 0.445 483 S N 4.259 120.212 115.700 0.420 0.000 2.693 483 S HA 0.571 5.041 4.470 0.000 0.000 0.276 483 S C -1.794 173.059 174.600 0.422 0.000 1.192 483 S CA -1.172 57.233 58.200 0.342 0.000 0.994 483 S CB 0.906 64.258 63.200 0.253 0.000 1.012 483 S HN 0.451 nan 8.310 nan 0.000 0.550 484 P HA -0.111 nan 4.420 nan 0.000 0.217 484 P C 1.281 178.674 177.300 0.154 0.000 1.148 484 P CA 1.270 64.501 63.100 0.219 0.000 0.828 484 P CB 0.056 31.825 31.700 0.115 0.000 0.783 485 E N -1.240 119.007 120.200 0.078 0.000 2.106 485 E HA -0.217 4.133 4.350 0.000 0.000 0.192 485 E C 1.687 178.282 176.600 -0.008 0.000 0.984 485 E CA 0.911 57.293 56.400 -0.031 0.000 0.806 485 E CB -0.333 29.284 29.700 -0.139 0.000 0.750 485 E HN 0.356 nan 8.360 nan 0.000 0.458 486 H N -0.842 118.348 119.070 0.200 0.000 2.352 486 H HA -0.067 4.489 4.556 0.000 0.000 0.299 486 H C 2.046 177.601 175.328 0.377 0.000 1.097 486 H CA 1.439 57.686 56.048 0.332 0.000 1.311 486 H CB -0.302 29.727 29.762 0.445 0.000 1.377 486 H HN 0.307 nan 8.280 nan 0.000 0.504 487 G N 0.102 109.166 108.800 0.439 0.000 2.418 487 G HA2 -0.256 3.705 3.960 0.000 0.000 0.217 487 G HA3 -0.256 3.705 3.960 0.000 0.000 0.217 487 G C 1.888 176.795 174.900 0.012 0.000 1.158 487 G CA 0.771 45.849 45.100 -0.036 0.000 0.771 487 G HN 0.513 nan 8.290 nan 0.000 0.545 488 A N 0.734 123.579 122.820 0.041 0.000 1.930 488 A HA 0.037 4.358 4.320 0.000 0.000 0.217 488 A C 2.444 180.039 177.584 0.019 0.000 1.175 488 A CA 1.533 53.575 52.037 0.010 0.000 0.627 488 A CB -0.331 18.663 19.000 -0.010 0.000 0.815 488 A HN 0.359 nan 8.150 nan 0.000 0.443 489 R N -0.592 119.929 120.500 0.036 0.000 2.075 489 R HA 0.009 4.349 4.340 0.000 0.000 0.232 489 R C 2.032 178.452 176.300 0.200 0.000 1.126 489 R CA 1.345 57.454 56.100 0.014 0.000 0.963 489 R CB -0.481 29.676 30.300 -0.238 0.000 0.858 489 R HN 0.485 nan 8.270 nan 0.000 0.435 490 L N 0.094 121.495 121.223 0.296 0.000 2.046 490 L HA -0.171 4.169 4.340 0.000 0.000 0.208 490 L C 2.792 179.630 176.870 -0.053 0.000 1.077 490 L CA 1.355 56.250 54.840 0.092 0.000 0.747 490 L CB -0.378 41.738 42.059 0.096 0.000 0.896 490 L HN 0.169 nan 8.230 nan 0.000 0.432 491 R N 0.126 120.654 120.500 0.046 0.000 2.073 491 R HA -0.193 4.148 4.340 0.000 0.000 0.234 491 R C 2.357 178.674 176.300 0.029 0.000 1.134 491 R CA 1.499 57.636 56.100 0.062 0.000 0.952 491 R CB -0.283 30.042 30.300 0.041 0.000 0.850 491 R HN 0.351 nan 8.270 nan 0.000 0.433 492 A N 0.972 123.800 122.820 0.012 0.000 1.883 492 A HA -0.251 4.069 4.320 0.000 0.000 0.217 492 A C 2.217 179.793 177.584 -0.013 0.000 1.186 492 A CA 1.788 53.824 52.037 -0.002 0.000 0.624 492 A CB -0.596 18.392 19.000 -0.021 0.000 0.822 492 A HN 0.517 nan 8.150 nan 0.000 0.444 493 M N -0.598 118.981 119.600 -0.035 0.000 2.117 493 M HA -0.127 4.353 4.480 0.000 0.000 0.262 493 M C 2.290 178.570 176.300 -0.034 0.000 1.065 493 M CA 1.647 56.901 55.300 -0.076 0.000 1.114 493 M CB -0.230 32.311 32.600 -0.098 0.000 1.361 493 M HN 0.444 nan 8.290 nan 0.000 0.408 494 A N 0.090 122.875 122.820 -0.059 0.000 1.902 494 A HA -0.190 4.130 4.320 0.000 0.000 0.217 494 A C 1.818 179.453 177.584 0.086 0.000 1.181 494 A CA 1.884 53.945 52.037 0.040 0.000 0.623 494 A CB -0.786 18.316 19.000 0.170 0.000 0.818 494 A HN 0.660 nan 8.150 nan 0.000 0.443 495 E N -0.404 119.836 120.200 0.066 0.000 2.204 495 E HA -0.071 4.279 4.350 0.000 0.000 0.195 495 E C 1.999 178.636 176.600 0.063 0.000 0.990 495 E CA 0.815 57.252 56.400 0.062 0.000 0.821 495 E CB -0.202 29.525 29.700 0.045 0.000 0.750 495 E HN 0.624 nan 8.360 nan 0.000 0.477 496 A N 0.854 123.712 122.820 0.064 0.000 2.169 496 A HA -0.035 4.285 4.320 0.000 0.000 0.212 496 A C 1.845 179.501 177.584 0.120 0.000 1.153 496 A CA 1.185 53.274 52.037 0.086 0.000 0.756 496 A CB -0.054 18.999 19.000 0.089 0.000 0.813 496 A HN 0.258 nan 8.150 nan 0.000 0.471 497 T N -4.077 110.548 114.554 0.119 0.000 3.288 497 T HA 0.293 4.643 4.350 0.000 0.000 0.293 497 T C -0.153 174.616 174.700 0.115 0.000 1.008 497 T CA 0.181 62.362 62.100 0.135 0.000 0.929 497 T CB 0.004 68.970 68.868 0.164 0.000 1.152 497 T HN 0.292 nan 8.240 nan 0.000 0.517 498 E N 1.022 121.281 120.200 0.098 0.000 2.389 498 E HA -0.196 4.154 4.350 0.000 0.000 0.243 498 E C 0.437 177.097 176.600 0.100 0.000 1.154 498 E CA 0.371 56.824 56.400 0.088 0.000 0.723 498 E CB -1.378 28.369 29.700 0.079 0.000 1.261 498 E HN 0.680 nan 8.360 nan 0.000 0.390 499 R N -0.478 120.094 120.500 0.121 0.000 2.472 499 R HA 0.363 4.704 4.340 0.000 0.000 0.279 499 R C 0.927 177.328 176.300 0.168 0.000 0.953 499 R CA -0.022 56.172 56.100 0.157 0.000 1.088 499 R CB 0.780 31.206 30.300 0.211 0.000 1.197 499 R HN 0.058 nan 8.270 nan 0.000 0.536 500 L N 0.000 121.298 121.223 0.126 0.000 2.949 500 L HA 0.000 4.340 4.340 0.000 0.000 0.249 500 L CA 0.000 54.900 54.840 0.099 0.000 0.813 500 L CB 0.000 42.119 42.059 0.099 0.000 0.961 500 L HN 0.000 nan 8.230 nan 0.000 0.502