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 1v1s_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE LK 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 0.000 176.327 176.300 0.045 0.000 1.140 1 M CA 0.000 55.334 55.300 0.056 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 L N 3.878 125.120 121.223 0.032 0.000 2.453 2 L HA 0.114 4.460 4.340 0.010 0.000 0.272 2 L C 0.794 177.658 176.870 -0.010 0.000 1.182 2 L CA 0.386 55.224 54.840 -0.004 0.000 0.858 2 L CB 0.650 42.664 42.059 -0.075 0.000 1.120 2 L HN 0.849 nan 8.230 nan 0.000 0.474 3 E N 1.864 122.065 120.200 0.002 0.000 2.166 3 E HA 0.083 4.439 4.350 0.010 0.000 0.192 3 E C -0.454 176.164 176.600 0.032 0.000 0.967 3 E CA 0.410 56.824 56.400 0.024 0.000 0.840 3 E CB 0.674 30.387 29.700 0.021 0.000 0.795 3 E HN 0.405 nan 8.360 nan 0.000 0.470 4 V N 1.151 121.058 119.914 -0.011 0.000 2.876 4 V HA 0.394 4.520 4.120 0.010 0.000 0.312 4 V C -0.633 175.431 176.094 -0.049 0.000 1.085 4 V CA -0.991 61.308 62.300 -0.001 0.000 0.945 4 V CB 2.391 34.194 31.823 -0.033 0.000 1.017 4 V HN -0.185 nan 8.190 nan 0.000 0.428 5 V N 2.106 121.994 119.914 -0.043 0.000 2.577 5 V HA 0.695 4.821 4.120 0.010 0.000 0.303 5 V C -0.201 175.896 176.094 0.006 0.000 1.042 5 V CA -0.166 62.072 62.300 -0.103 0.000 0.872 5 V CB 2.156 33.797 31.823 -0.305 0.000 0.998 5 V HN 1.010 nan 8.190 nan 0.000 0.423 6 T N 2.987 117.582 114.554 0.069 0.000 2.916 6 T HA 0.912 5.268 4.350 0.010 0.000 0.292 6 T C -0.951 173.796 174.700 0.078 0.000 1.064 6 T CA 0.078 62.275 62.100 0.162 0.000 1.011 6 T CB 1.831 70.874 68.868 0.291 0.000 1.152 6 T HN 1.194 nan 8.240 nan 0.000 0.510 7 A N 0.824 123.703 122.820 0.098 0.000 2.547 7 A HA 0.924 5.250 4.320 0.010 0.000 0.297 7 A C -0.128 177.515 177.584 0.099 0.000 1.056 7 A CA 0.005 51.991 52.037 -0.085 0.000 0.688 7 A CB 1.447 20.498 19.000 0.084 0.000 1.282 7 A HN 1.438 nan 8.150 nan 0.000 0.400 8 G N -0.093 108.732 108.800 0.041 0.000 2.341 8 G HA2 0.488 4.454 3.960 0.010 0.000 0.299 8 G HA3 0.488 4.454 3.960 0.010 0.000 0.299 8 G C -1.570 173.484 174.900 0.257 0.000 1.274 8 G CA -0.182 45.032 45.100 0.190 0.000 0.853 8 G HN 0.880 nan 8.290 nan 0.000 0.493 9 E N 0.658 120.978 120.200 0.200 0.000 2.156 9 E HA 0.576 4.932 4.350 0.010 0.000 0.279 9 E C -2.451 174.281 176.600 0.221 0.000 0.965 9 E CA -1.785 54.721 56.400 0.177 0.000 0.789 9 E CB 1.913 31.642 29.700 0.049 0.000 1.098 9 E HN 0.112 nan 8.360 nan 0.000 0.397 10 P HA 0.294 nan 4.420 nan 0.000 0.282 10 P C -0.969 176.428 177.300 0.162 0.000 1.249 10 P CA -0.287 62.915 63.100 0.169 0.000 0.806 10 P CB 0.847 32.667 31.700 0.199 0.000 0.984 11 L N 1.143 122.469 121.223 0.172 0.000 2.393 11 L HA 0.520 4.866 4.340 0.010 0.000 0.260 11 L C -0.805 176.210 176.870 0.243 0.000 1.002 11 L CA -1.311 53.672 54.840 0.237 0.000 0.818 11 L CB 2.441 44.688 42.059 0.315 0.000 1.369 11 L HN -0.001 nan 8.230 nan 0.000 0.412 12 V N 1.555 121.600 119.914 0.218 0.000 2.370 12 V HA 0.575 4.701 4.120 0.010 0.000 0.279 12 V C 0.318 176.408 176.094 -0.006 0.000 1.029 12 V CA -0.514 61.857 62.300 0.119 0.000 0.870 12 V CB 1.410 33.277 31.823 0.073 0.000 0.984 12 V HN 0.808 nan 8.190 nan 0.000 0.451 13 A N 6.564 129.328 122.820 -0.093 0.000 2.309 13 A HA 0.829 5.155 4.320 0.010 0.000 0.298 13 A C -0.618 176.770 177.584 -0.327 0.000 1.165 13 A CA -0.442 51.266 52.037 -0.549 0.000 0.821 13 A CB 0.453 19.293 19.000 -0.266 0.000 1.102 13 A HN 0.807 nan 8.150 nan 0.000 0.500 14 L N 3.112 124.078 121.223 -0.428 0.000 2.349 14 L HA 0.612 4.958 4.340 0.010 0.000 0.278 14 L C -1.047 175.720 176.870 -0.172 0.000 0.996 14 L CA -0.705 53.999 54.840 -0.226 0.000 0.825 14 L CB 1.680 43.623 42.059 -0.193 0.000 1.243 14 L HN 0.433 nan 8.230 nan 0.000 0.412 15 V N 3.865 123.732 119.914 -0.078 0.000 2.760 15 V HA 0.459 4.585 4.120 0.010 0.000 0.309 15 V C -2.217 173.834 176.094 -0.071 0.000 1.077 15 V CA -1.556 60.716 62.300 -0.046 0.000 0.910 15 V CB 2.672 34.568 31.823 0.121 0.000 1.008 15 V HN 0.573 nan 8.190 nan 0.000 0.424 16 P HA 0.154 nan 4.420 nan 0.000 0.272 16 P C -0.207 177.049 177.300 -0.072 0.000 1.230 16 P CA -0.081 62.922 63.100 -0.161 0.000 0.788 16 P CB 0.897 32.444 31.700 -0.255 0.000 0.949 17 Q N 0.013 119.814 119.800 0.002 0.000 2.472 17 Q HA -0.017 4.329 4.340 0.010 0.000 0.208 17 Q C 0.724 176.820 176.000 0.161 0.000 0.958 17 Q CA 0.778 56.635 55.803 0.091 0.000 0.932 17 Q CB 0.105 28.874 28.738 0.051 0.000 1.007 17 Q HN 0.577 nan 8.270 nan 0.000 0.508 18 E N -0.792 119.493 120.200 0.142 0.000 2.423 18 E HA 0.350 4.706 4.350 0.010 0.000 0.280 18 E C -3.126 173.624 176.600 0.250 0.000 1.030 18 E CA -2.623 53.929 56.400 0.254 0.000 0.812 18 E CB 0.664 30.439 29.700 0.126 0.000 1.313 18 E HN -0.298 nan 8.360 nan 0.000 0.456 19 P HA 0.373 nan 4.420 nan 0.000 0.269 19 P C -0.100 177.252 177.300 0.087 0.000 1.211 19 P CA 1.569 64.865 63.100 0.327 0.000 0.781 19 P CB 0.314 32.169 31.700 0.258 0.000 0.877 20 G N -0.178 108.628 108.800 0.011 0.000 2.340 20 G HA2 0.007 3.972 3.960 0.010 0.000 0.527 20 G HA3 0.007 3.972 3.960 0.010 0.000 0.527 20 G C -1.682 173.160 174.900 -0.097 0.000 1.381 20 G CA -0.933 44.167 45.100 0.001 0.000 1.001 20 G HN 0.527 nan 8.290 nan 0.000 0.626 21 H N 0.143 119.216 119.070 0.005 0.000 2.722 21 H HA 0.325 4.887 4.556 0.010 0.000 0.328 21 H C 1.628 176.942 175.328 -0.024 0.000 1.067 21 H CA 0.023 56.075 56.048 0.005 0.000 1.447 21 H CB 1.480 31.253 29.762 0.017 0.000 1.469 21 H HN 0.508 nan 8.280 nan 0.000 0.544 22 L N 3.978 125.224 121.223 0.039 0.000 2.089 22 L HA -0.247 4.099 4.340 0.010 0.000 0.213 22 L C 2.438 179.297 176.870 -0.019 0.000 1.079 22 L CA 1.792 56.619 54.840 -0.021 0.000 0.758 22 L CB -0.527 41.507 42.059 -0.041 0.000 0.891 22 L HN 0.759 nan 8.230 nan 0.000 0.433 23 R N -1.157 119.353 120.500 0.017 0.000 2.170 23 R HA -0.115 4.231 4.340 0.010 0.000 0.242 23 R C 1.889 178.185 176.300 -0.007 0.000 1.145 23 R CA 1.547 57.640 56.100 -0.011 0.000 0.984 23 R CB -1.186 29.115 30.300 0.000 0.000 0.869 23 R HN 0.439 nan 8.270 nan 0.000 0.455 24 G N 1.026 109.836 108.800 0.018 0.000 2.744 24 G HA2 0.029 3.995 3.960 0.010 0.000 0.211 24 G HA3 0.029 3.995 3.960 0.010 0.000 0.211 24 G C 0.067 174.962 174.900 -0.009 0.000 1.146 24 G CA -0.366 44.739 45.100 0.007 0.000 0.787 24 G HN 0.058 nan 8.290 nan 0.000 0.534 25 K N 0.237 120.624 120.400 -0.022 0.000 2.180 25 K HA 0.388 4.714 4.320 0.010 0.000 0.251 25 K C 0.519 177.094 176.600 -0.040 0.000 1.014 25 K CA -0.141 56.124 56.287 -0.036 0.000 0.913 25 K CB 0.911 33.376 32.500 -0.058 0.000 1.008 25 K HN 0.073 nan 8.250 nan 0.000 0.490 26 R N 0.087 120.563 120.500 -0.041 0.000 2.519 26 R HA 0.307 4.652 4.340 0.010 0.000 0.375 26 R C -0.451 175.821 176.300 -0.047 0.000 0.926 26 R CA -0.110 55.965 56.100 -0.043 0.000 1.166 26 R CB 0.639 30.919 30.300 -0.033 0.000 1.626 26 R HN 0.324 nan 8.270 nan 0.000 0.529 27 L N 1.844 123.036 121.223 -0.051 0.000 2.516 27 L HA 0.520 4.866 4.340 0.010 0.000 0.267 27 L C -1.360 175.470 176.870 -0.066 0.000 0.957 27 L CA -0.591 54.216 54.840 -0.055 0.000 0.860 27 L CB 2.380 44.414 42.059 -0.043 0.000 1.265 27 L HN -0.070 nan 8.230 nan 0.000 0.403 28 L N 3.061 124.235 121.223 -0.083 0.000 2.365 28 L HA 0.513 4.858 4.340 0.010 0.000 0.273 28 L C -0.253 176.541 176.870 -0.127 0.000 1.000 28 L CA -0.693 54.087 54.840 -0.099 0.000 0.819 28 L CB 2.486 44.479 42.059 -0.110 0.000 1.284 28 L HN 0.551 nan 8.230 nan 0.000 0.418 29 E N 1.328 121.442 120.200 -0.143 0.000 2.313 29 E HA 0.391 4.747 4.350 0.010 0.000 0.272 29 E C -1.111 175.255 176.600 -0.389 0.000 1.038 29 E CA -0.610 55.623 56.400 -0.279 0.000 0.863 29 E CB 2.254 31.785 29.700 -0.280 0.000 1.060 29 E HN 0.208 nan 8.360 nan 0.000 0.402 30 V N 3.635 123.246 119.914 -0.505 0.000 2.370 30 V HA 0.321 4.447 4.120 0.010 0.000 0.283 30 V C -1.021 174.732 176.094 -0.568 0.000 1.023 30 V CA -0.608 61.453 62.300 -0.398 0.000 0.857 30 V CB 0.054 31.740 31.823 -0.228 0.000 0.985 30 V HN 0.538 nan 8.190 nan 0.000 0.443 31 Y N 2.247 122.507 120.300 -0.067 0.000 2.545 31 Y HA 0.645 5.202 4.550 0.011 0.000 0.348 31 Y C -0.062 175.837 175.900 -0.003 0.000 1.002 31 Y CA -1.095 56.974 58.100 -0.051 0.000 1.039 31 Y CB 2.158 40.574 38.460 -0.074 0.000 1.271 31 Y HN 0.339 nan 8.280 nan 0.000 0.467 32 V N 2.143 122.195 119.914 0.230 0.000 2.439 32 V HA 0.837 4.963 4.120 0.010 0.000 0.282 32 V C 0.280 176.554 176.094 0.300 0.000 1.039 32 V CA -0.025 62.406 62.300 0.219 0.000 0.913 32 V CB 0.889 32.828 31.823 0.194 0.000 0.983 32 V HN 0.959 nan 8.190 nan 0.000 0.460 33 G N 2.155 111.098 108.800 0.239 0.000 2.975 33 G HA2 0.797 4.763 3.960 0.010 0.000 0.291 33 G HA3 0.797 4.763 3.960 0.010 0.000 0.291 33 G C -0.253 174.729 174.900 0.137 0.000 1.334 33 G CA -0.512 44.733 45.100 0.242 0.000 0.843 33 G HN 1.490 nan 8.290 nan 0.000 0.548 34 G N -1.738 107.131 108.800 0.116 0.000 3.393 34 G HA2 0.454 4.420 3.960 0.010 0.000 0.676 34 G HA3 0.454 4.420 3.960 0.010 0.000 0.676 34 G C 0.758 175.678 174.900 0.033 0.000 1.224 34 G CA 0.671 45.813 45.100 0.069 0.000 1.109 34 G HN 1.953 nan 8.290 nan 0.000 0.519 35 A N 2.271 125.120 122.820 0.048 0.000 1.901 35 A HA -0.247 4.079 4.320 0.010 0.000 0.227 35 A C 2.211 179.830 177.584 0.059 0.000 1.551 35 A CA 2.934 55.003 52.037 0.053 0.000 0.769 35 A CB -0.836 18.209 19.000 0.075 0.000 0.845 35 A HN 1.257 nan 8.150 nan 0.000 0.481 36 E N -0.792 119.491 120.200 0.137 0.000 2.147 36 E HA -0.142 4.214 4.350 0.010 0.000 0.199 36 E C 1.918 178.542 176.600 0.039 0.000 1.005 36 E CA 1.449 57.979 56.400 0.217 0.000 0.810 36 E CB -0.516 29.427 29.700 0.406 0.000 0.736 36 E HN 0.439 nan 8.360 nan 0.000 0.460 37 V N 1.592 121.411 119.914 -0.158 0.000 2.270 37 V HA -0.275 3.851 4.120 0.010 0.000 0.245 37 V C 1.815 177.684 176.094 -0.375 0.000 1.043 37 V CA 1.853 63.863 62.300 -0.483 0.000 1.014 37 V CB -0.638 30.876 31.823 -0.515 0.000 0.645 37 V HN 0.296 nan 8.190 nan 0.000 0.447 38 N N 0.643 119.198 118.700 -0.242 0.000 2.091 38 N HA -0.177 4.569 4.740 0.010 0.000 0.193 38 N C 1.793 177.169 175.510 -0.224 0.000 1.021 38 N CA 1.820 54.737 53.050 -0.223 0.000 0.862 38 N CB -0.613 37.856 38.487 -0.031 0.000 1.018 38 N HN 0.422 nan 8.380 nan 0.000 0.429 39 V N 1.522 121.333 119.914 -0.171 0.000 2.358 39 V HA -0.145 3.981 4.120 0.010 0.000 0.246 39 V C 2.553 178.532 176.094 -0.191 0.000 1.047 39 V CA 1.661 63.846 62.300 -0.191 0.000 1.035 39 V CB -1.045 30.654 31.823 -0.207 0.000 0.658 39 V HN 0.293 nan 8.190 nan 0.000 0.452 40 A N 0.361 123.082 122.820 -0.165 0.000 1.908 40 A HA -0.169 4.157 4.320 0.010 0.000 0.218 40 A C 2.390 179.861 177.584 -0.189 0.000 1.181 40 A CA 2.297 54.250 52.037 -0.140 0.000 0.627 40 A CB -0.769 18.161 19.000 -0.116 0.000 0.818 40 A HN 0.366 nan 8.150 nan 0.000 0.445 41 V N -0.019 119.728 119.914 -0.277 0.000 2.255 41 V HA -0.270 3.856 4.120 0.010 0.000 0.247 41 V C 3.032 179.002 176.094 -0.207 0.000 1.051 41 V CA 2.039 64.177 62.300 -0.271 0.000 1.018 41 V CB -1.699 29.856 31.823 -0.448 0.000 0.641 41 V HN 0.625 nan 8.190 nan 0.000 0.445 42 A N 0.318 123.012 122.820 -0.209 0.000 1.884 42 A HA -0.238 4.088 4.320 0.010 0.000 0.219 42 A C 2.266 179.740 177.584 -0.183 0.000 1.197 42 A CA 2.472 54.395 52.037 -0.191 0.000 0.637 42 A CB -0.762 18.131 19.000 -0.178 0.000 0.827 42 A HN 0.519 nan 8.150 nan 0.000 0.450 43 L N -1.094 120.018 121.223 -0.185 0.000 1.994 43 L HA -0.217 4.129 4.340 0.010 0.000 0.208 43 L C 3.167 179.970 176.870 -0.112 0.000 1.071 43 L CA 1.202 55.936 54.840 -0.178 0.000 0.745 43 L CB -0.849 41.096 42.059 -0.190 0.000 0.892 43 L HN 0.471 nan 8.230 nan 0.000 0.431 44 A N 0.293 123.054 122.820 -0.098 0.000 1.892 44 A HA -0.264 4.062 4.320 0.010 0.000 0.218 44 A C 2.377 179.949 177.584 -0.021 0.000 1.188 44 A CA 1.929 53.937 52.037 -0.048 0.000 0.631 44 A CB -0.633 18.334 19.000 -0.057 0.000 0.822 44 A HN 0.354 nan 8.150 nan 0.000 0.447 45 R N -0.754 119.696 120.500 -0.084 0.000 2.152 45 R HA 0.018 4.364 4.340 0.010 0.000 0.232 45 R C 1.461 177.757 176.300 -0.008 0.000 1.117 45 R CA 1.072 57.105 56.100 -0.111 0.000 0.981 45 R CB -0.329 29.686 30.300 -0.475 0.000 0.870 45 R HN 0.514 nan 8.270 nan 0.000 0.451 46 L N -0.771 120.453 121.223 0.002 0.000 2.591 46 L HA 0.160 4.506 4.340 0.010 0.000 0.228 46 L C 1.118 178.128 176.870 0.234 0.000 1.133 46 L CA 0.544 55.459 54.840 0.124 0.000 0.880 46 L CB 0.273 42.393 42.059 0.102 0.000 1.033 46 L HN 0.482 nan 8.230 nan 0.000 0.450 47 G N -0.099 108.794 108.800 0.156 0.000 2.179 47 G HA2 -0.234 3.732 3.960 0.010 0.000 0.220 47 G HA3 -0.234 3.732 3.960 0.010 0.000 0.220 47 G C 0.247 175.244 174.900 0.163 0.000 0.990 47 G CA -0.099 45.105 45.100 0.173 0.000 0.646 47 G HN 0.071 nan 8.290 nan 0.000 0.517 48 V N 1.492 121.464 119.914 0.097 0.000 2.555 48 V HA 0.284 4.410 4.120 0.010 0.000 0.286 48 V C 0.933 177.036 176.094 0.015 0.000 1.044 48 V CA 0.000 62.313 62.300 0.022 0.000 1.026 48 V CB 1.298 33.042 31.823 -0.131 0.000 0.981 48 V HN 0.309 nan 8.190 nan 0.000 0.480 49 K N 3.824 124.242 120.400 0.030 0.000 2.315 49 K HA 0.446 4.772 4.320 0.010 0.000 0.291 49 K C -0.573 176.029 176.600 0.004 0.000 1.074 49 K CA 0.062 56.367 56.287 0.030 0.000 0.936 49 K CB 1.154 33.680 32.500 0.044 0.000 1.049 49 K HN 0.482 nan 8.250 nan 0.000 0.471 50 V N 1.863 121.779 119.914 0.004 0.000 2.962 50 V HA 0.793 4.919 4.120 0.010 0.000 0.313 50 V C -0.666 175.450 176.094 0.035 0.000 1.099 50 V CA -0.482 61.815 62.300 -0.005 0.000 0.971 50 V CB 2.115 33.924 31.823 -0.024 0.000 1.028 50 V HN 0.800 nan 8.190 nan 0.000 0.430 51 G N 3.417 112.237 108.800 0.034 0.000 2.482 51 G HA2 0.672 4.638 3.960 0.010 0.000 0.317 51 G HA3 0.672 4.638 3.960 0.010 0.000 0.317 51 G C -1.889 173.122 174.900 0.185 0.000 1.241 51 G CA -0.552 44.630 45.100 0.137 0.000 0.967 51 G HN 0.728 nan 8.290 nan 0.000 0.482 52 F N 2.143 122.144 119.950 0.085 0.000 2.508 52 F HA 0.719 5.252 4.527 0.010 0.000 0.325 52 F C -0.615 175.310 175.800 0.208 0.000 1.090 52 F CA -0.936 57.108 58.000 0.074 0.000 0.945 52 F CB 2.344 41.311 39.000 -0.055 0.000 1.156 52 F HN 0.343 nan 8.300 nan 0.000 0.463 53 V N 4.620 124.099 119.914 -0.726 0.000 2.487 53 V HA 0.953 5.079 4.120 0.010 0.000 0.298 53 V C -0.056 175.630 176.094 -0.681 0.000 1.028 53 V CA -0.141 61.935 62.300 -0.374 0.000 0.860 53 V CB 0.922 32.659 31.823 -0.143 0.000 0.991 53 V HN 1.149 nan 8.190 nan 0.000 0.427 54 G N 4.128 112.840 108.800 -0.147 0.000 2.313 54 G HA2 0.574 4.540 3.960 0.010 0.000 0.296 54 G HA3 0.574 4.540 3.960 0.010 0.000 0.296 54 G C -2.076 172.751 174.900 -0.121 0.000 1.356 54 G CA -0.887 44.176 45.100 -0.063 0.000 0.833 54 G HN 0.430 nan 8.290 nan 0.000 0.552 55 R N -1.114 119.308 120.500 -0.129 0.000 2.854 55 R HA 0.877 5.223 4.340 0.010 0.000 0.271 55 R C -0.262 175.953 176.300 -0.141 0.000 0.994 55 R CA -0.657 55.271 56.100 -0.288 0.000 0.945 55 R CB 1.410 31.582 30.300 -0.213 0.000 1.194 55 R HN 1.509 nan 8.270 nan 0.000 0.476 56 V N -2.486 117.315 119.914 -0.187 0.000 3.188 56 V HA 0.859 4.985 4.120 0.010 0.000 0.305 56 V C 0.266 176.316 176.094 -0.074 0.000 1.232 56 V CA -0.972 61.299 62.300 -0.049 0.000 1.043 56 V CB 1.857 33.737 31.823 0.095 0.000 1.068 56 V HN 0.754 nan 8.190 nan 0.000 0.439 57 G N -0.132 108.648 108.800 -0.034 0.000 2.651 57 G HA2 0.442 4.408 3.960 0.010 0.000 0.260 57 G HA3 0.442 4.408 3.960 0.010 0.000 0.260 57 G C -0.058 174.852 174.900 0.017 0.000 1.216 57 G CA -0.430 44.665 45.100 -0.008 0.000 0.913 57 G HN 0.928 nan 8.290 nan 0.000 0.535 58 E N 0.536 120.752 120.200 0.026 0.000 2.368 58 E HA 0.123 4.478 4.350 0.010 0.000 0.283 58 E C -0.573 176.053 176.600 0.044 0.000 1.476 58 E CA -0.262 56.153 56.400 0.026 0.000 1.786 58 E CB 0.081 29.791 29.700 0.016 0.000 1.518 58 E HN 0.544 nan 8.360 nan 0.000 0.456 59 D N -1.424 119.011 120.400 0.058 0.000 2.467 59 D HA 0.104 4.750 4.640 0.010 0.000 0.245 59 D C 0.916 177.249 176.300 0.055 0.000 1.038 59 D CA -0.709 53.328 54.000 0.062 0.000 1.038 59 D CB 0.652 41.505 40.800 0.088 0.000 1.278 59 D HN -0.240 nan 8.370 nan 0.000 0.564 60 E N -0.207 120.019 120.200 0.045 0.000 2.153 60 E HA -0.083 4.273 4.350 0.010 0.000 0.194 60 E C 1.975 178.602 176.600 0.046 0.000 0.988 60 E CA 0.687 57.109 56.400 0.037 0.000 0.811 60 E CB -0.136 29.577 29.700 0.021 0.000 0.746 60 E HN 0.480 nan 8.360 nan 0.000 0.466 61 L N 0.150 121.406 121.223 0.056 0.000 2.093 61 L HA -0.069 4.277 4.340 0.010 0.000 0.208 61 L C 2.497 179.420 176.870 0.088 0.000 1.085 61 L CA 1.111 55.991 54.840 0.066 0.000 0.755 61 L CB -0.684 41.422 42.059 0.078 0.000 0.904 61 L HN 0.176 nan 8.230 nan 0.000 0.435 62 G N -0.283 108.574 108.800 0.095 0.000 2.433 62 G HA2 -0.253 3.713 3.960 0.010 0.000 0.216 62 G HA3 -0.253 3.713 3.960 0.010 0.000 0.216 62 G C 1.800 176.777 174.900 0.129 0.000 1.186 62 G CA 0.775 45.947 45.100 0.119 0.000 0.779 62 G HN 0.440 nan 8.290 nan 0.000 0.543 63 A N 0.654 123.531 122.820 0.094 0.000 1.927 63 A HA -0.179 4.146 4.320 0.010 0.000 0.220 63 A C 2.367 180.001 177.584 0.084 0.000 1.185 63 A CA 2.280 54.370 52.037 0.087 0.000 0.639 63 A CB -0.481 18.555 19.000 0.059 0.000 0.820 63 A HN 0.450 nan 8.150 nan 0.000 0.451 64 M N -0.196 119.446 119.600 0.070 0.000 2.117 64 M HA -0.148 4.338 4.480 0.010 0.000 0.262 64 M C 1.952 178.289 176.300 0.061 0.000 1.065 64 M CA 2.223 57.556 55.300 0.055 0.000 1.114 64 M CB -0.312 32.313 32.600 0.042 0.000 1.361 64 M HN 0.249 nan 8.290 nan 0.000 0.408 65 V N 0.751 120.717 119.914 0.086 0.000 2.255 65 V HA -0.320 3.806 4.120 0.010 0.000 0.247 65 V C 2.245 178.354 176.094 0.026 0.000 1.051 65 V CA 2.518 64.859 62.300 0.067 0.000 1.018 65 V CB -1.263 30.647 31.823 0.145 0.000 0.641 65 V HN 0.627 nan 8.190 nan 0.000 0.445 66 E N 0.287 120.560 120.200 0.121 0.000 2.049 66 E HA -0.288 4.068 4.350 0.010 0.000 0.198 66 E C 2.203 178.827 176.600 0.040 0.000 1.007 66 E CA 1.971 58.441 56.400 0.118 0.000 0.809 66 E CB -0.192 29.656 29.700 0.246 0.000 0.749 66 E HN 0.714 nan 8.360 nan 0.000 0.450 67 E N -0.127 120.103 120.200 0.050 0.000 2.049 67 E HA -0.282 4.074 4.350 0.010 0.000 0.198 67 E C 2.257 178.866 176.600 0.015 0.000 1.007 67 E CA 1.360 57.780 56.400 0.034 0.000 0.809 67 E CB -0.203 29.518 29.700 0.036 0.000 0.749 67 E HN 0.075 nan 8.360 nan 0.000 0.450 68 R N 1.513 122.020 120.500 0.011 0.000 2.094 68 R HA -0.158 4.188 4.340 0.010 0.000 0.239 68 R C 2.165 178.443 176.300 -0.037 0.000 1.137 68 R CA 1.531 57.637 56.100 0.009 0.000 0.943 68 R CB -0.895 29.422 30.300 0.028 0.000 0.850 68 R HN 0.183 nan 8.270 nan 0.000 0.433 69 L N -0.161 120.996 121.223 -0.109 0.000 2.017 69 L HA -0.126 4.220 4.340 0.010 0.000 0.208 69 L C 2.860 179.676 176.870 -0.091 0.000 1.073 69 L CA 1.957 56.693 54.840 -0.173 0.000 0.745 69 L CB -0.473 41.390 42.059 -0.328 0.000 0.894 69 L HN 0.271 nan 8.230 nan 0.000 0.432 70 R N 0.002 120.471 120.500 -0.051 0.000 2.081 70 R HA -0.174 4.172 4.340 0.010 0.000 0.235 70 R C 2.349 178.653 176.300 0.007 0.000 1.131 70 R CA 1.529 57.625 56.100 -0.007 0.000 0.960 70 R CB -0.286 30.025 30.300 0.018 0.000 0.856 70 R HN 0.364 nan 8.270 nan 0.000 0.436 71 A N 0.741 123.567 122.820 0.011 0.000 1.933 71 A HA -0.142 4.184 4.320 0.010 0.000 0.218 71 A C 1.761 179.367 177.584 0.036 0.000 1.175 71 A CA 1.454 53.508 52.037 0.027 0.000 0.628 71 A CB -0.327 18.693 19.000 0.034 0.000 0.814 71 A HN 0.318 nan 8.150 nan 0.000 0.444 72 E N -1.368 118.845 120.200 0.021 0.000 2.347 72 E HA 0.068 4.424 4.350 0.010 0.000 0.196 72 E C 1.290 177.904 176.600 0.024 0.000 1.008 72 E CA 0.817 57.234 56.400 0.029 0.000 0.852 72 E CB -0.216 29.473 29.700 -0.018 0.000 0.783 72 E HN 0.861 nan 8.360 nan 0.000 0.505 73 G N 0.767 109.576 108.800 0.015 0.000 2.134 73 G HA2 -0.244 3.722 3.960 0.010 0.000 0.209 73 G HA3 -0.244 3.722 3.960 0.010 0.000 0.209 73 G C 0.322 175.232 174.900 0.017 0.000 0.993 73 G CA 0.236 45.350 45.100 0.024 0.000 0.669 73 G HN 0.136 nan 8.290 nan 0.000 0.519 74 V N 0.638 120.548 119.914 -0.007 0.000 2.686 74 V HA 0.387 4.513 4.120 0.010 0.000 0.295 74 V C 0.739 176.860 176.094 0.045 0.000 1.055 74 V CA -0.010 62.291 62.300 0.002 0.000 1.050 74 V CB 1.589 33.382 31.823 -0.051 0.000 0.984 74 V HN 0.391 nan 8.190 nan 0.000 0.482 75 D N 3.409 123.865 120.400 0.093 0.000 2.339 75 D HA 0.241 4.887 4.640 0.010 0.000 0.256 75 D C 0.469 176.876 176.300 0.179 0.000 1.214 75 D CA 0.036 54.120 54.000 0.141 0.000 0.877 75 D CB 0.579 41.502 40.800 0.204 0.000 1.111 75 D HN 0.460 nan 8.370 nan 0.000 0.478 76 L N 3.345 124.652 121.223 0.140 0.000 2.928 76 L HA 0.149 4.495 4.340 0.010 0.000 0.246 76 L C 1.814 178.754 176.870 0.116 0.000 1.239 76 L CA -0.289 54.668 54.840 0.196 0.000 1.035 76 L CB -0.097 42.087 42.059 0.207 0.000 1.360 76 L HN 0.414 nan 8.230 nan 0.000 0.529 77 T N -0.895 113.651 114.554 -0.014 0.000 2.653 77 T HA -0.204 4.152 4.350 0.010 0.000 0.268 77 T C 1.116 175.508 174.700 -0.514 0.000 1.035 77 T CA 1.571 63.479 62.100 -0.320 0.000 1.154 77 T CB -0.230 68.306 68.868 -0.553 0.000 0.862 77 T HN 0.418 nan 8.240 nan 0.000 0.441 78 H N -1.042 117.950 119.070 -0.129 0.000 2.502 78 H HA 0.368 4.930 4.556 0.010 0.000 0.268 78 H C -0.993 174.393 175.328 0.095 0.000 1.177 78 H CA -0.476 55.549 56.048 -0.039 0.000 0.961 78 H CB -0.233 29.484 29.762 -0.075 0.000 1.737 78 H HN 0.269 nan 8.280 nan 0.000 0.569 79 F N 2.073 122.053 119.950 0.050 0.000 2.540 79 F HA 0.515 5.048 4.527 0.010 0.000 0.317 79 F C -0.548 175.286 175.800 0.056 0.000 1.104 79 F CA -0.831 57.215 58.000 0.078 0.000 0.913 79 F CB 1.425 40.522 39.000 0.163 0.000 1.170 79 F HN 0.151 nan 8.300 nan 0.000 0.450 80 R N 3.824 123.845 120.500 -0.799 0.000 2.728 80 R HA 0.528 4.874 4.340 0.010 0.000 0.274 80 R C -1.896 174.097 176.300 -0.511 0.000 1.032 80 R CA -1.206 54.623 56.100 -0.452 0.000 0.866 80 R CB 1.183 31.368 30.300 -0.191 0.000 1.263 80 R HN 0.710 nan 8.270 nan 0.000 0.475 81 R N 0.587 120.945 120.500 -0.236 0.000 2.441 81 R HA 0.677 5.023 4.340 0.010 0.000 0.284 81 R C -0.696 175.531 176.300 -0.122 0.000 1.070 81 R CA 0.116 56.126 56.100 -0.151 0.000 1.047 81 R CB 1.754 32.028 30.300 -0.043 0.000 1.016 81 R HN 0.711 nan 8.270 nan 0.000 0.477 82 A N 4.249 127.004 122.820 -0.108 0.000 2.527 82 A HA 0.645 4.971 4.320 0.010 0.000 0.293 82 A C -2.625 174.930 177.584 -0.049 0.000 1.117 82 A CA -2.067 49.922 52.037 -0.081 0.000 0.723 82 A CB 1.389 20.328 19.000 -0.102 0.000 1.313 82 A HN 0.433 nan 8.150 nan 0.000 0.411 83 P HA 0.391 nan 4.420 nan 0.000 0.266 83 P C 0.619 177.917 177.300 -0.003 0.000 1.193 83 P CA 2.011 65.107 63.100 -0.007 0.000 0.770 83 P CB 0.487 32.184 31.700 -0.005 0.000 0.836 84 G N 1.127 109.952 108.800 0.041 0.000 2.362 84 G HA2 0.171 4.137 3.960 0.010 0.000 0.517 84 G HA3 0.171 4.137 3.960 0.010 0.000 0.517 84 G C -1.279 173.709 174.900 0.147 0.000 1.256 84 G CA -0.491 44.658 45.100 0.082 0.000 1.027 84 G HN 0.538 nan 8.290 nan 0.000 0.491 85 F N -1.356 118.604 119.950 0.017 0.000 2.594 85 F HA 0.902 5.435 4.527 0.010 0.000 0.335 85 F C 0.172 175.997 175.800 0.043 0.000 1.058 85 F CA -0.736 57.282 58.000 0.029 0.000 0.981 85 F CB 1.543 40.564 39.000 0.035 0.000 1.289 85 F HN 0.535 nan 8.300 nan 0.000 0.490 86 T N 1.200 115.855 114.554 0.168 0.000 2.795 86 T HA 0.537 4.893 4.350 0.010 0.000 0.282 86 T C 0.332 175.147 174.700 0.191 0.000 0.980 86 T CA -0.341 61.803 62.100 0.072 0.000 1.012 86 T CB 1.101 70.043 68.868 0.124 0.000 0.936 86 T HN 1.025 nan 8.240 nan 0.000 0.457 87 G N 2.222 111.069 108.800 0.078 0.000 2.491 87 G HA2 0.512 4.478 3.960 0.010 0.000 0.242 87 G HA3 0.512 4.478 3.960 0.010 0.000 0.242 87 G C -0.577 174.495 174.900 0.287 0.000 1.266 87 G CA -0.330 44.909 45.100 0.232 0.000 0.844 87 G HN 0.728 nan 8.290 nan 0.000 0.571 88 L N -0.244 121.195 121.223 0.360 0.000 2.491 88 L HA 0.948 5.294 4.340 0.010 0.000 0.254 88 L C -0.982 176.148 176.870 0.433 0.000 1.048 88 L CA -1.758 53.269 54.840 0.311 0.000 0.855 88 L CB 1.732 43.894 42.059 0.171 0.000 1.466 88 L HN 0.811 nan 8.230 nan 0.000 0.409 89 Y N -0.486 119.911 120.300 0.161 0.000 2.609 89 Y HA 0.854 5.409 4.550 0.009 0.000 0.336 89 Y C -2.226 173.727 175.900 0.087 0.000 1.129 89 Y CA -1.524 56.652 58.100 0.126 0.000 1.040 89 Y CB 1.210 39.615 38.460 -0.091 0.000 1.310 89 Y HN 0.614 nan 8.280 nan 0.000 0.460 90 L N 3.644 124.973 121.223 0.176 0.000 2.329 90 L HA 0.688 5.034 4.340 0.010 0.000 0.279 90 L C -0.033 176.967 176.870 0.217 0.000 1.014 90 L CA -0.637 54.247 54.840 0.074 0.000 0.814 90 L CB 1.813 43.965 42.059 0.154 0.000 1.257 90 L HN 0.838 nan 8.230 nan 0.000 0.424 91 R N 1.486 122.029 120.500 0.072 0.000 2.902 91 R HA 0.764 5.110 4.340 0.010 0.000 0.258 91 R C -1.250 175.058 176.300 0.015 0.000 1.071 91 R CA -0.648 55.524 56.100 0.120 0.000 1.024 91 R CB 1.765 32.159 30.300 0.157 0.000 1.184 91 R HN 0.776 nan 8.270 nan 0.000 0.492 92 E N 2.035 122.222 120.200 -0.023 0.000 2.406 92 E HA 0.106 4.462 4.350 0.010 0.000 0.297 92 E C -2.013 174.521 176.600 -0.112 0.000 0.917 92 E CA -0.608 55.695 56.400 -0.161 0.000 0.795 92 E CB 0.928 30.619 29.700 -0.015 0.000 1.285 92 E HN 0.571 nan 8.360 nan 0.000 0.400 93 Y N 3.254 123.537 120.300 -0.028 0.000 2.334 93 Y HA 0.502 5.060 4.550 0.014 0.000 0.336 93 Y C -0.095 175.760 175.900 -0.076 0.000 0.960 93 Y CA -1.269 56.805 58.100 -0.044 0.000 1.164 93 Y CB 0.606 39.052 38.460 -0.023 0.000 1.155 93 Y HN 0.285 nan 8.280 nan 0.000 0.478 94 L N 5.505 126.757 121.223 0.049 0.000 2.452 94 L HA 0.187 4.533 4.340 0.010 0.000 0.267 94 L C -1.260 175.648 176.870 0.064 0.000 1.188 94 L CA -1.679 53.150 54.840 -0.018 0.000 0.821 94 L CB 0.909 42.929 42.059 -0.065 0.000 1.102 94 L HN 0.398 nan 8.230 nan 0.000 0.470 95 P HA -0.202 nan 4.420 nan 0.000 0.214 95 P C 1.426 178.756 177.300 0.049 0.000 1.169 95 P CA 1.513 64.653 63.100 0.067 0.000 0.908 95 P CB 0.170 31.913 31.700 0.072 0.000 0.791 96 L N -2.858 118.395 121.223 0.049 0.000 2.610 96 L HA 0.175 4.521 4.340 0.010 0.000 0.232 96 L C 1.637 178.524 176.870 0.030 0.000 1.149 96 L CA 0.745 55.607 54.840 0.037 0.000 0.872 96 L CB -0.863 41.221 42.059 0.041 0.000 0.992 96 L HN 0.230 nan 8.230 nan 0.000 0.447 97 G N -0.723 108.097 108.800 0.033 0.000 2.232 97 G HA2 -0.271 3.694 3.960 0.010 0.000 0.226 97 G HA3 -0.271 3.694 3.960 0.010 0.000 0.226 97 G C 0.277 175.195 174.900 0.030 0.000 0.996 97 G CA -0.468 44.648 45.100 0.027 0.000 0.626 97 G HN 0.402 nan 8.290 nan 0.000 0.509 98 Q N 1.646 121.465 119.800 0.031 0.000 2.388 98 Q HA 0.493 4.839 4.340 0.010 0.000 0.246 98 Q C 1.050 177.060 176.000 0.016 0.000 1.246 98 Q CA 0.658 56.477 55.803 0.027 0.000 0.895 98 Q CB 0.572 29.335 28.738 0.042 0.000 1.510 98 Q HN 0.582 nan 8.270 nan 0.000 0.503 99 G N 2.148 110.960 108.800 0.020 0.000 2.562 99 G HA2 0.518 4.484 3.960 0.010 0.000 0.275 99 G HA3 0.518 4.484 3.960 0.010 0.000 0.275 99 G C -0.473 174.414 174.900 -0.023 0.000 1.196 99 G CA -0.476 44.634 45.100 0.016 0.000 0.908 99 G HN 0.446 nan 8.290 nan 0.000 0.524 100 R N -0.809 119.656 120.500 -0.059 0.000 2.643 100 R HA 0.519 4.865 4.340 0.010 0.000 0.269 100 R C -1.853 174.243 176.300 -0.340 0.000 1.037 100 R CA -0.499 55.490 56.100 -0.184 0.000 0.894 100 R CB 2.474 32.685 30.300 -0.147 0.000 1.238 100 R HN 0.397 nan 8.270 nan 0.000 0.459 101 V N 3.411 122.981 119.914 -0.574 0.000 2.823 101 V HA 0.628 4.754 4.120 0.010 0.000 0.312 101 V C -1.236 174.279 176.094 -0.964 0.000 1.072 101 V CA -0.662 61.278 62.300 -0.600 0.000 0.937 101 V CB 2.173 33.746 31.823 -0.417 0.000 1.013 101 V HN 0.560 nan 8.190 nan 0.000 0.430 102 F N 2.773 122.655 119.950 -0.113 0.000 2.507 102 F HA 0.648 5.181 4.527 0.010 0.000 0.328 102 F C -0.507 175.251 175.800 -0.070 0.000 1.136 102 F CA -0.685 57.290 58.000 -0.042 0.000 0.930 102 F CB 1.198 40.250 39.000 0.086 0.000 1.166 102 F HN 0.318 nan 8.300 nan 0.000 0.436 103 Y N 1.497 121.863 120.300 0.110 0.000 2.403 103 Y HA 0.496 5.052 4.550 0.010 0.000 0.323 103 Y C -0.643 175.192 175.900 -0.108 0.000 1.226 103 Y CA -0.871 57.295 58.100 0.110 0.000 1.235 103 Y CB 1.107 39.580 38.460 0.022 0.000 1.248 103 Y HN 0.480 nan 8.280 nan 0.000 0.489 104 Y N 1.112 121.628 120.300 0.361 0.000 2.640 104 Y HA 0.271 4.826 4.550 0.009 0.000 0.295 104 Y C 0.364 176.474 175.900 0.351 0.000 1.023 104 Y CA -0.739 57.522 58.100 0.269 0.000 1.163 104 Y CB 0.564 39.138 38.460 0.189 0.000 1.145 104 Y HN 0.602 nan 8.280 nan 0.000 0.609 105 R N -1.034 119.715 120.500 0.414 0.000 2.544 105 R HA 0.246 4.591 4.340 0.010 0.000 0.303 105 R C 0.143 176.585 176.300 0.237 0.000 0.939 105 R CA -0.565 55.745 56.100 0.350 0.000 1.102 105 R CB 0.443 30.885 30.300 0.237 0.000 1.440 105 R HN 0.040 nan 8.270 nan 0.000 0.532 106 K N 1.810 122.342 120.400 0.220 0.000 2.453 106 K HA 0.081 4.407 4.320 0.010 0.000 0.280 106 K C 0.330 177.076 176.600 0.244 0.000 1.045 106 K CA 1.520 57.891 56.287 0.140 0.000 1.059 106 K CB 0.261 32.810 32.500 0.083 0.000 0.901 106 K HN 0.477 nan 8.250 nan 0.000 0.475 107 G N 2.593 111.447 108.800 0.089 0.000 2.141 107 G HA2 -0.296 3.670 3.960 0.010 0.000 0.242 107 G HA3 -0.296 3.670 3.960 0.010 0.000 0.242 107 G C -0.004 174.813 174.900 -0.139 0.000 0.982 107 G CA 0.367 45.518 45.100 0.086 0.000 0.662 107 G HN 0.837 nan 8.290 nan 0.000 0.527 108 S N -0.329 115.082 115.700 -0.481 0.000 2.593 108 S HA 0.673 5.149 4.470 0.010 0.000 0.269 108 S C 1.853 176.140 174.600 -0.521 0.000 1.334 108 S CA 0.524 58.078 58.200 -1.076 0.000 1.015 108 S CB 1.717 64.434 63.200 -0.804 0.000 0.912 108 S HN 1.736 nan 8.310 nan 0.000 0.541 109 A N 2.507 125.041 122.820 -0.476 0.000 1.986 109 A HA 0.049 4.375 4.320 0.010 0.000 0.220 109 A C 2.154 179.618 177.584 -0.200 0.000 1.171 109 A CA 1.806 53.696 52.037 -0.244 0.000 0.640 109 A CB -1.711 17.182 19.000 -0.180 0.000 0.811 109 A HN 1.191 nan 8.150 nan 0.000 0.451 110 G N -0.590 108.093 108.800 -0.196 0.000 2.484 110 G HA2 -0.033 3.933 3.960 0.010 0.000 0.218 110 G HA3 -0.033 3.933 3.960 0.010 0.000 0.218 110 G C 1.622 176.443 174.900 -0.131 0.000 1.130 110 G CA 1.297 46.327 45.100 -0.118 0.000 0.784 110 G HN 0.908 nan 8.290 nan 0.000 0.543 111 S N 0.108 115.712 115.700 -0.159 0.000 2.631 111 S HA 0.526 5.002 4.470 0.010 0.000 0.217 111 S C 2.134 176.648 174.600 -0.145 0.000 0.958 111 S CA 0.814 58.928 58.200 -0.144 0.000 0.920 111 S CB 0.314 63.433 63.200 -0.136 0.000 0.776 111 S HN 0.426 nan 8.310 nan 0.000 0.517 112 A N 2.385 125.113 122.820 -0.153 0.000 1.826 112 A HA 0.318 4.644 4.320 0.010 0.000 0.214 112 A C 1.079 178.564 177.584 -0.165 0.000 1.212 112 A CA 0.465 52.420 52.037 -0.138 0.000 0.605 112 A CB -1.058 17.863 19.000 -0.131 0.000 0.861 112 A HN 0.635 nan 8.150 nan 0.000 0.447 113 L N -0.892 120.186 121.223 -0.241 0.000 4.266 113 L HA -0.184 4.162 4.340 0.010 0.000 0.561 113 L C 0.280 176.992 176.870 -0.264 0.000 0.996 113 L CA 0.134 54.727 54.840 -0.412 0.000 0.786 113 L CB -1.187 40.477 42.059 -0.657 0.000 0.591 113 L HN 0.623 nan 8.230 nan 0.000 0.996 114 A N 5.407 128.151 122.820 -0.127 0.000 2.386 114 A HA 0.893 5.219 4.320 0.010 0.000 0.308 114 A C -2.486 175.203 177.584 0.175 0.000 1.128 114 A CA -1.753 50.310 52.037 0.042 0.000 0.789 114 A CB 1.354 20.328 19.000 -0.043 0.000 1.325 114 A HN 0.406 nan 8.150 nan 0.000 0.437 115 P HA 0.217 nan 4.420 nan 0.000 0.263 115 P C 0.943 177.641 177.300 -1.003 0.000 1.175 115 P CA 2.471 65.259 63.100 -0.520 0.000 0.761 115 P CB 0.460 31.838 31.700 -0.536 0.000 0.794 116 G N 2.728 110.243 108.800 -2.142 0.000 2.157 116 G HA2 -0.302 3.664 3.960 0.010 0.000 0.248 116 G HA3 -0.302 3.664 3.960 0.010 0.000 0.248 116 G C 1.161 175.796 174.900 -0.440 0.000 0.979 116 G CA 0.329 44.645 45.100 -1.307 0.000 0.650 116 G HN 0.676 nan 8.290 nan 0.000 0.529 117 A N -0.765 122.014 122.820 -0.068 0.000 2.148 117 A HA 0.379 4.705 4.320 0.010 0.000 0.222 117 A C 0.940 178.687 177.584 0.271 0.000 1.161 117 A CA 2.116 54.262 52.037 0.182 0.000 0.662 117 A CB -0.493 18.693 19.000 0.311 0.000 0.799 117 A HN 1.981 nan 8.150 nan 0.000 0.466 118 F N -3.566 116.486 119.950 0.170 0.000 2.745 118 F HA 0.586 5.119 4.527 0.010 0.000 0.316 118 F C -1.044 174.715 175.800 -0.068 0.000 1.155 118 F CA -1.775 56.162 58.000 -0.106 0.000 0.937 118 F CB 0.626 39.487 39.000 -0.230 0.000 1.361 118 F HN -0.137 nan 8.300 nan 0.000 0.472 119 D N 2.332 122.590 120.400 -0.235 0.000 2.336 119 D HA 0.288 4.934 4.640 0.010 0.000 0.249 119 D C -1.923 174.436 176.300 0.099 0.000 1.213 119 D CA -1.924 52.045 54.000 -0.052 0.000 0.870 119 D CB 1.728 42.605 40.800 0.129 0.000 1.076 119 D HN 0.252 nan 8.370 nan 0.000 0.483 120 P HA -0.153 nan 4.420 nan 0.000 0.217 120 P C 0.743 178.176 177.300 0.220 0.000 1.148 120 P CA 0.916 64.017 63.100 0.002 0.000 0.834 120 P CB 0.296 31.946 31.700 -0.084 0.000 0.783 121 D N -2.173 118.345 120.400 0.197 0.000 2.309 121 D HA -0.192 4.454 4.640 0.010 0.000 0.212 121 D C 1.719 178.196 176.300 0.295 0.000 0.968 121 D CA 0.777 54.893 54.000 0.194 0.000 0.882 121 D CB -0.470 40.424 40.800 0.157 0.000 0.918 121 D HN 0.361 nan 8.370 nan 0.000 0.503 122 Y N 1.435 121.884 120.300 0.249 0.000 2.128 122 Y HA -0.229 4.327 4.550 0.010 0.000 0.284 122 Y C 2.328 178.310 175.900 0.138 0.000 1.154 122 Y CA 0.807 59.046 58.100 0.232 0.000 1.149 122 Y CB -0.093 38.535 38.460 0.279 0.000 0.976 122 Y HN -0.099 nan 8.280 nan 0.000 0.505 123 L N 0.707 122.041 121.223 0.185 0.000 2.261 123 L HA -0.197 4.149 4.340 0.010 0.000 0.216 123 L C 0.958 177.824 176.870 -0.007 0.000 1.114 123 L CA 0.724 55.559 54.840 -0.008 0.000 0.777 123 L CB -0.658 41.428 42.059 0.046 0.000 0.910 123 L HN 0.259 nan 8.230 nan 0.000 0.440 124 E N 0.131 120.363 120.200 0.054 0.000 2.465 124 E HA 0.074 4.430 4.350 0.010 0.000 0.260 124 E C 1.155 177.765 176.600 0.017 0.000 0.980 124 E CA 0.676 57.096 56.400 0.033 0.000 0.927 124 E CB 0.348 30.083 29.700 0.058 0.000 0.934 124 E HN 0.320 nan 8.360 nan 0.000 0.459 125 G N 2.602 111.401 108.800 -0.002 0.000 2.205 125 G HA2 -0.288 3.678 3.960 0.010 0.000 0.261 125 G HA3 -0.288 3.678 3.960 0.010 0.000 0.261 125 G C 0.302 175.192 174.900 -0.016 0.000 0.980 125 G CA 0.206 45.304 45.100 -0.003 0.000 0.632 125 G HN 0.507 nan 8.290 nan 0.000 0.533 126 V N 2.185 122.077 119.914 -0.036 0.000 2.715 126 V HA 0.303 4.429 4.120 0.010 0.000 0.299 126 V C 1.913 177.977 176.094 -0.050 0.000 1.054 126 V CA -0.047 62.227 62.300 -0.043 0.000 1.077 126 V CB 1.337 33.108 31.823 -0.087 0.000 0.972 126 V HN 0.315 nan 8.190 nan 0.000 0.484 127 R N 2.352 122.855 120.500 0.005 0.000 2.057 127 R HA 0.107 4.453 4.340 0.010 0.000 0.229 127 R C -0.145 176.029 176.300 -0.211 0.000 1.136 127 R CA 1.319 57.408 56.100 -0.019 0.000 0.952 127 R CB -0.160 30.302 30.300 0.269 0.000 0.848 127 R HN 0.554 nan 8.270 nan 0.000 0.430 128 F N -0.944 118.982 119.950 -0.040 0.000 2.599 128 F HA 0.412 4.945 4.527 0.011 0.000 0.311 128 F C -0.632 175.158 175.800 -0.017 0.000 1.076 128 F CA -1.374 56.617 58.000 -0.013 0.000 0.937 128 F CB 1.352 40.361 39.000 0.015 0.000 1.282 128 F HN -0.238 nan 8.300 nan 0.000 0.460 129 L N 2.374 123.721 121.223 0.207 0.000 2.343 129 L HA 0.517 4.863 4.340 0.010 0.000 0.278 129 L C -1.330 175.658 176.870 0.196 0.000 0.996 129 L CA -0.333 54.577 54.840 0.117 0.000 0.831 129 L CB 0.768 42.839 42.059 0.020 0.000 1.232 129 L HN 0.686 nan 8.230 nan 0.000 0.413 130 H N 4.697 123.832 119.070 0.108 0.000 2.463 130 H HA 0.820 5.382 4.556 0.010 0.000 0.332 130 H C -1.400 174.004 175.328 0.127 0.000 1.127 130 H CA -0.353 55.771 56.048 0.127 0.000 1.238 130 H CB 1.155 30.969 29.762 0.088 0.000 1.478 130 H HN 0.698 nan 8.280 nan 0.000 0.499 131 L N 2.531 123.327 121.223 -0.712 0.000 2.409 131 L HA 0.440 4.786 4.340 0.010 0.000 0.255 131 L C -0.597 176.006 176.870 -0.446 0.000 1.027 131 L CA -1.047 53.564 54.840 -0.382 0.000 0.834 131 L CB 2.260 44.281 42.059 -0.065 0.000 1.426 131 L HN 0.602 nan 8.230 nan 0.000 0.411 132 S N -0.869 114.760 115.700 -0.119 0.000 2.566 132 S HA 0.526 5.002 4.470 0.010 0.000 0.298 132 S C 0.752 175.358 174.600 0.010 0.000 1.083 132 S CA 0.001 58.194 58.200 -0.011 0.000 0.978 132 S CB 1.764 64.998 63.200 0.056 0.000 1.073 132 S HN 0.802 nan 8.310 nan 0.000 0.491 133 G N 2.416 111.248 108.800 0.054 0.000 2.708 133 G HA2 0.037 4.002 3.960 0.010 0.000 0.210 133 G HA3 0.037 4.002 3.960 0.010 0.000 0.210 133 G C 0.947 175.848 174.900 0.002 0.000 1.141 133 G CA 0.360 45.492 45.100 0.053 0.000 0.788 133 G HN 0.736 nan 8.290 nan 0.000 0.531 134 I N 0.523 121.071 120.570 -0.037 0.000 2.333 134 I HA -0.104 4.072 4.170 0.010 0.000 0.246 134 I C 2.897 178.883 176.117 -0.218 0.000 1.106 134 I CA 1.091 62.316 61.300 -0.125 0.000 1.411 134 I CB -0.486 37.472 38.000 -0.070 0.000 1.082 134 I HN 0.033 nan 8.210 nan 0.000 0.420 135 T N 2.261 116.735 114.554 -0.135 0.000 2.622 135 T HA -0.110 4.246 4.350 0.010 0.000 0.266 135 T C -0.430 174.141 174.700 -0.214 0.000 1.047 135 T CA 1.720 63.748 62.100 -0.120 0.000 1.159 135 T CB -1.645 67.227 68.868 0.007 0.000 0.863 135 T HN 0.309 nan 8.240 nan 0.000 0.422 136 P HA 0.035 nan 4.420 nan 0.000 0.225 136 P C 0.982 177.863 177.300 -0.698 0.000 1.148 136 P CA 1.143 64.031 63.100 -0.353 0.000 0.779 136 P CB -0.126 31.202 31.700 -0.619 0.000 0.780 137 A N -0.534 121.676 122.820 -1.017 0.000 2.132 137 A HA 0.066 4.392 4.320 0.010 0.000 0.213 137 A C 2.309 179.380 177.584 -0.856 0.000 1.154 137 A CA 0.263 51.308 52.037 -1.653 0.000 0.753 137 A CB -1.083 16.675 19.000 -2.070 0.000 0.826 137 A HN 0.097 nan 8.150 nan 0.000 0.469 138 L N -0.028 120.880 121.223 -0.524 0.000 1.976 138 L HA -0.047 4.299 4.340 0.010 0.000 0.209 138 L C 1.365 178.083 176.870 -0.254 0.000 1.071 138 L CA 1.380 56.018 54.840 -0.336 0.000 0.746 138 L CB -0.661 41.257 42.059 -0.235 0.000 0.890 138 L HN 0.574 nan 8.230 nan 0.000 0.432 139 S N -3.579 111.998 115.700 -0.205 0.000 2.596 139 S HA 0.392 4.868 4.470 0.010 0.000 0.270 139 S C -2.466 172.092 174.600 -0.069 0.000 1.155 139 S CA -1.149 56.978 58.200 -0.121 0.000 0.827 139 S CB 1.706 64.853 63.200 -0.088 0.000 1.130 139 S HN -0.262 nan 8.310 nan 0.000 0.467 140 P HA -0.019 nan 4.420 nan 0.000 0.220 140 P C 0.841 178.174 177.300 0.054 0.000 1.148 140 P CA 1.213 64.334 63.100 0.035 0.000 0.803 140 P CB 0.074 31.796 31.700 0.036 0.000 0.782 141 E N -0.089 120.126 120.200 0.024 0.000 2.017 141 E HA -0.160 4.196 4.350 0.010 0.000 0.193 141 E C 2.162 178.823 176.600 0.101 0.000 0.997 141 E CA 1.679 58.101 56.400 0.037 0.000 0.804 141 E CB -1.500 28.193 29.700 -0.013 0.000 0.757 141 E HN 0.078 nan 8.360 nan 0.000 0.448 142 A N 1.156 124.006 122.820 0.049 0.000 1.859 142 A HA -0.327 3.999 4.320 0.010 0.000 0.217 142 A C 2.223 179.941 177.584 0.224 0.000 1.198 142 A CA 2.516 54.610 52.037 0.095 0.000 0.629 142 A CB -0.793 18.182 19.000 -0.041 0.000 0.830 142 A HN 0.217 nan 8.150 nan 0.000 0.446 143 R N -0.304 120.279 120.500 0.139 0.000 2.134 143 R HA -0.215 4.131 4.340 0.010 0.000 0.248 143 R C 2.204 178.707 176.300 0.339 0.000 1.143 143 R CA 2.320 58.578 56.100 0.263 0.000 0.957 143 R CB -0.605 29.838 30.300 0.238 0.000 0.867 143 R HN 0.456 nan 8.270 nan 0.000 0.441 144 A N 0.101 123.069 122.820 0.248 0.000 1.873 144 A HA -0.160 4.166 4.320 0.010 0.000 0.215 144 A C 2.090 179.847 177.584 0.288 0.000 1.186 144 A CA 1.358 53.527 52.037 0.220 0.000 0.616 144 A CB -0.935 18.151 19.000 0.144 0.000 0.823 144 A HN 0.576 nan 8.150 nan 0.000 0.442 145 F N 2.011 122.066 119.950 0.175 0.000 2.063 145 F HA -0.279 4.254 4.527 0.010 0.000 0.298 145 F C 2.525 178.541 175.800 0.359 0.000 1.109 145 F CA 2.193 60.352 58.000 0.265 0.000 1.212 145 F CB -0.587 38.518 39.000 0.176 0.000 0.973 145 F HN 0.239 nan 8.300 nan 0.000 0.480 146 S N 1.617 117.521 115.700 0.341 0.000 2.369 146 S HA -0.279 4.197 4.470 0.010 0.000 0.225 146 S C 2.068 176.734 174.600 0.109 0.000 1.043 146 S CA 2.054 60.394 58.200 0.233 0.000 1.074 146 S CB -1.076 62.380 63.200 0.427 0.000 0.962 146 S HN 0.481 nan 8.310 nan 0.000 0.433 147 L N -0.340 120.989 121.223 0.177 0.000 1.989 147 L HA -0.171 4.175 4.340 0.010 0.000 0.211 147 L C 2.437 179.315 176.870 0.013 0.000 1.071 147 L CA 1.868 56.748 54.840 0.068 0.000 0.749 147 L CB -0.750 41.348 42.059 0.065 0.000 0.890 147 L HN 0.444 nan 8.230 nan 0.000 0.431 148 W N 1.226 122.456 121.300 -0.115 0.000 2.317 148 W HA -0.310 4.356 4.660 0.010 0.000 0.318 148 W C 2.598 178.980 176.519 -0.227 0.000 1.227 148 W CA 2.132 59.376 57.345 -0.169 0.000 1.269 148 W CB -0.462 28.882 29.460 -0.194 0.000 1.155 148 W HN 0.149 nan 8.180 nan 0.000 0.484 149 A N 1.351 123.817 122.820 -0.590 0.000 1.873 149 A HA -0.286 4.040 4.320 0.010 0.000 0.218 149 A C 2.183 179.465 177.584 -0.502 0.000 1.193 149 A CA 3.079 54.642 52.037 -0.791 0.000 0.629 149 A CB -1.344 17.293 19.000 -0.605 0.000 0.826 149 A HN 0.618 nan 8.150 nan 0.000 0.447 150 M N -1.770 117.662 119.600 -0.278 0.000 2.394 150 M HA 0.018 4.504 4.480 0.010 0.000 0.264 150 M C 1.760 177.935 176.300 -0.209 0.000 1.073 150 M CA 2.117 57.309 55.300 -0.181 0.000 1.111 150 M CB -0.542 32.013 32.600 -0.076 0.000 1.401 150 M HN 0.483 nan 8.290 nan 0.000 0.448 151 E N 1.208 121.253 120.200 -0.258 0.000 2.058 151 E HA -0.252 4.103 4.350 0.010 0.000 0.194 151 E C 1.901 178.337 176.600 -0.274 0.000 0.997 151 E CA 1.813 58.080 56.400 -0.222 0.000 0.801 151 E CB 0.053 29.630 29.700 -0.205 0.000 0.746 151 E HN 0.583 nan 8.360 nan 0.000 0.450 152 E N -0.059 119.861 120.200 -0.467 0.000 2.153 152 E HA -0.127 4.229 4.350 0.010 0.000 0.194 152 E C 1.611 178.055 176.600 -0.259 0.000 0.988 152 E CA 1.195 57.333 56.400 -0.437 0.000 0.811 152 E CB -0.139 29.092 29.700 -0.781 0.000 0.746 152 E HN 0.340 nan 8.360 nan 0.000 0.466 153 A N 0.464 123.143 122.820 -0.234 0.000 1.897 153 A HA -0.154 4.172 4.320 0.010 0.000 0.215 153 A C 2.078 179.587 177.584 -0.126 0.000 1.181 153 A CA 1.768 53.718 52.037 -0.145 0.000 0.620 153 A CB -0.461 18.466 19.000 -0.122 0.000 0.821 153 A HN 0.182 nan 8.150 nan 0.000 0.443 154 K N 0.124 120.446 120.400 -0.129 0.000 2.009 154 K HA -0.175 4.151 4.320 0.010 0.000 0.210 154 K C 2.205 178.748 176.600 -0.094 0.000 1.049 154 K CA 1.872 58.096 56.287 -0.104 0.000 0.929 154 K CB -0.319 32.123 32.500 -0.096 0.000 0.714 154 K HN 0.348 nan 8.250 nan 0.000 0.440 155 R N 0.079 120.517 120.500 -0.103 0.000 2.211 155 R HA -0.109 4.237 4.340 0.010 0.000 0.240 155 R C 1.491 177.749 176.300 -0.069 0.000 1.144 155 R CA 1.551 57.602 56.100 -0.083 0.000 0.992 155 R CB -0.011 30.233 30.300 -0.094 0.000 0.869 155 R HN 0.133 nan 8.270 nan 0.000 0.462 156 R N -1.232 119.221 120.500 -0.078 0.000 2.468 156 R HA 0.112 4.458 4.340 0.010 0.000 0.280 156 R C 0.168 176.429 176.300 -0.065 0.000 0.963 156 R CA 0.573 56.637 56.100 -0.059 0.000 1.083 156 R CB 0.842 31.112 30.300 -0.050 0.000 1.200 156 R HN 0.409 nan 8.270 nan 0.000 0.541 157 G N 0.891 109.644 108.800 -0.077 0.000 2.221 157 G HA2 -0.234 3.732 3.960 0.010 0.000 0.265 157 G HA3 -0.234 3.732 3.960 0.010 0.000 0.265 157 G C -0.180 174.646 174.900 -0.123 0.000 1.041 157 G CA 0.310 45.357 45.100 -0.089 0.000 0.807 157 G HN 0.152 nan 8.290 nan 0.000 0.502 158 V N 1.397 121.233 119.914 -0.130 0.000 2.394 158 V HA 0.444 4.570 4.120 0.010 0.000 0.282 158 V C 1.041 177.012 176.094 -0.205 0.000 1.031 158 V CA -1.126 61.074 62.300 -0.166 0.000 0.881 158 V CB 1.476 33.228 31.823 -0.117 0.000 0.982 158 V HN 0.364 nan 8.190 nan 0.000 0.451 159 R N 2.947 123.225 120.500 -0.370 0.000 2.489 159 R HA 0.269 4.615 4.340 0.010 0.000 0.287 159 R C -0.709 175.528 176.300 -0.106 0.000 1.053 159 R CA -0.216 55.649 56.100 -0.391 0.000 1.036 159 R CB 1.002 30.674 30.300 -1.046 0.000 0.966 159 R HN 0.480 nan 8.270 nan 0.000 0.432 160 V N 2.726 122.640 119.914 0.000 0.000 2.364 160 V HA 0.087 4.213 4.120 0.010 0.000 0.272 160 V C 0.492 176.703 176.094 0.196 0.000 1.036 160 V CA -0.148 62.205 62.300 0.088 0.000 0.880 160 V CB 1.394 33.237 31.823 0.033 0.000 0.991 160 V HN 0.725 nan 8.190 nan 0.000 0.460 161 S N 5.899 121.778 115.700 0.298 0.000 2.451 161 S HA 0.793 5.269 4.470 0.010 0.000 0.301 161 S C -1.047 173.731 174.600 0.297 0.000 1.116 161 S CA -0.581 57.865 58.200 0.410 0.000 1.093 161 S CB 1.208 64.783 63.200 0.625 0.000 1.017 161 S HN 0.629 nan 8.310 nan 0.000 0.482 162 L N 4.259 125.674 121.223 0.320 0.000 2.438 162 L HA 0.651 4.997 4.340 0.010 0.000 0.270 162 L C -1.432 175.655 176.870 0.363 0.000 0.972 162 L CA -0.309 54.646 54.840 0.193 0.000 0.831 162 L CB 2.071 44.226 42.059 0.161 0.000 1.273 162 L HN 0.651 nan 8.230 nan 0.000 0.405 163 D N 4.036 124.613 120.400 0.295 0.000 2.412 163 D HA 0.231 4.877 4.640 0.010 0.000 0.224 163 D C 1.149 177.577 176.300 0.214 0.000 1.093 163 D CA -0.243 53.963 54.000 0.342 0.000 0.850 163 D CB 1.502 42.477 40.800 0.293 0.000 1.046 163 D HN 0.432 nan 8.370 nan 0.000 0.507 164 V N 3.978 124.023 119.914 0.218 0.000 2.226 164 V HA -0.350 3.776 4.120 0.010 0.000 0.254 164 V C 0.961 177.167 176.094 0.187 0.000 1.065 164 V CA 1.685 64.101 62.300 0.193 0.000 1.039 164 V CB -0.912 31.018 31.823 0.178 0.000 0.653 164 V HN 0.800 nan 8.190 nan 0.000 0.450 165 N N -0.168 118.635 118.700 0.170 0.000 2.642 165 N HA -0.241 4.505 4.740 0.010 0.000 0.269 165 N C -0.557 175.063 175.510 0.183 0.000 1.073 165 N CA 0.697 53.834 53.050 0.145 0.000 0.748 165 N CB -1.023 37.524 38.487 0.100 0.000 0.894 165 N HN 0.740 nan 8.380 nan 0.000 0.548 166 Y N 1.452 121.814 120.300 0.103 0.000 2.496 166 Y HA 0.191 4.747 4.550 0.009 0.000 0.334 166 Y C 0.378 176.352 175.900 0.124 0.000 1.080 166 Y CA -0.115 58.062 58.100 0.129 0.000 1.355 166 Y CB 0.536 39.028 38.460 0.053 0.000 1.193 166 Y HN 0.035 nan 8.280 nan 0.000 0.523 167 R N 6.558 126.736 120.500 -0.535 0.000 2.246 167 R HA 0.139 4.485 4.340 0.010 0.000 0.332 167 R C 0.697 176.474 176.300 -0.872 0.000 0.974 167 R CA -0.324 55.460 56.100 -0.526 0.000 0.837 167 R CB 1.285 31.413 30.300 -0.288 0.000 1.145 167 R HN 0.929 nan 8.270 nan 0.000 0.467 168 Q N 0.353 119.688 119.800 -0.775 0.000 2.170 168 Q HA -0.113 4.233 4.340 0.010 0.000 0.203 168 Q C 0.949 176.864 176.000 -0.142 0.000 0.976 168 Q CA 1.664 57.252 55.803 -0.359 0.000 0.858 168 Q CB 0.048 28.804 28.738 0.030 0.000 0.907 168 Q HN 0.487 nan 8.270 nan 0.000 0.433 169 T N 1.675 116.123 114.554 -0.177 0.000 2.720 169 T HA -0.101 4.255 4.350 0.010 0.000 0.268 169 T C 1.836 176.433 174.700 -0.172 0.000 1.037 169 T CA 0.978 62.984 62.100 -0.156 0.000 1.144 169 T CB -0.093 68.636 68.868 -0.232 0.000 0.864 169 T HN 0.213 nan 8.240 nan 0.000 0.444 170 L N -1.088 120.002 121.223 -0.222 0.000 2.162 170 L HA 0.170 4.516 4.340 0.010 0.000 0.205 170 L C 0.865 177.718 176.870 -0.028 0.000 1.086 170 L CA 0.338 55.024 54.840 -0.258 0.000 0.778 170 L CB -0.110 41.640 42.059 -0.514 0.000 0.928 170 L HN 0.469 nan 8.230 nan 0.000 0.446 171 W N -1.648 119.569 121.300 -0.139 0.000 2.895 171 W HA 0.466 5.131 4.660 0.009 0.000 0.377 171 W C -0.553 176.060 176.519 0.156 0.000 1.191 171 W CA -1.933 55.413 57.345 0.001 0.000 1.179 171 W CB -0.165 29.312 29.460 0.028 0.000 1.469 171 W HN -0.161 nan 8.180 nan 0.000 0.577 172 S N 0.094 115.975 115.700 0.301 0.000 2.601 172 S HA 0.482 4.958 4.470 0.010 0.000 0.271 172 S C -1.852 172.699 174.600 -0.082 0.000 1.305 172 S CA -0.789 57.493 58.200 0.135 0.000 1.022 172 S CB 2.190 65.422 63.200 0.053 0.000 0.940 172 S HN 0.239 nan 8.310 nan 0.000 0.525 173 P HA -0.054 nan 4.420 nan 0.000 0.219 173 P C 0.774 177.850 177.300 -0.374 0.000 1.146 173 P CA 1.104 63.906 63.100 -0.497 0.000 0.808 173 P CB 0.059 31.490 31.700 -0.447 0.000 0.779 174 E N -0.156 119.897 120.200 -0.245 0.000 2.028 174 E HA -0.156 4.200 4.350 0.010 0.000 0.190 174 E C 1.941 178.423 176.600 -0.196 0.000 0.984 174 E CA 1.159 57.443 56.400 -0.193 0.000 0.800 174 E CB -0.844 28.789 29.700 -0.112 0.000 0.758 174 E HN 0.354 nan 8.360 nan 0.000 0.448 175 E N 0.695 120.784 120.200 -0.185 0.000 2.058 175 E HA -0.216 4.140 4.350 0.010 0.000 0.194 175 E C 2.071 178.370 176.600 -0.502 0.000 0.997 175 E CA 1.091 57.388 56.400 -0.173 0.000 0.801 175 E CB -0.239 29.480 29.700 0.032 0.000 0.746 175 E HN 0.274 nan 8.360 nan 0.000 0.450 176 A N 1.454 123.718 122.820 -0.926 0.000 1.865 176 A HA -0.254 4.072 4.320 0.010 0.000 0.217 176 A C 2.096 179.475 177.584 -0.341 0.000 1.191 176 A CA 1.711 53.140 52.037 -1.013 0.000 0.623 176 A CB -0.540 18.008 19.000 -0.754 0.000 0.826 176 A HN 0.075 nan 8.150 nan 0.000 0.444 177 R N -1.121 119.208 120.500 -0.285 0.000 2.094 177 R HA -0.164 4.182 4.340 0.010 0.000 0.239 177 R C 2.423 178.689 176.300 -0.056 0.000 1.137 177 R CA 1.543 57.548 56.100 -0.157 0.000 0.943 177 R CB -0.846 29.295 30.300 -0.266 0.000 0.850 177 R HN 0.561 nan 8.270 nan 0.000 0.433 178 G N 0.248 109.006 108.800 -0.071 0.000 2.476 178 G HA2 -0.337 3.628 3.960 0.010 0.000 0.218 178 G HA3 -0.337 3.628 3.960 0.010 0.000 0.218 178 G C 1.260 176.188 174.900 0.047 0.000 1.164 178 G CA 0.895 45.991 45.100 -0.007 0.000 0.768 178 G HN 0.341 nan 8.290 nan 0.000 0.560 179 F N 1.268 121.202 119.950 -0.027 0.000 2.046 179 F HA -0.072 4.461 4.527 0.010 0.000 0.297 179 F C 2.604 178.448 175.800 0.072 0.000 1.123 179 F CA 1.556 59.605 58.000 0.081 0.000 1.199 179 F CB -0.328 38.784 39.000 0.187 0.000 0.972 179 F HN 0.061 nan 8.300 nan 0.000 0.474 180 L N 0.177 121.568 121.223 0.280 0.000 1.990 180 L HA -0.286 4.060 4.340 0.010 0.000 0.213 180 L C 2.403 179.293 176.870 0.034 0.000 1.072 180 L CA 2.079 57.033 54.840 0.191 0.000 0.755 180 L CB -1.053 41.135 42.059 0.216 0.000 0.889 180 L HN 0.217 nan 8.230 nan 0.000 0.432 181 E N -0.472 119.748 120.200 0.032 0.000 2.171 181 E HA -0.265 4.091 4.350 0.010 0.000 0.197 181 E C 2.316 178.886 176.600 -0.050 0.000 0.997 181 E CA 1.040 57.444 56.400 0.008 0.000 0.810 181 E CB -0.110 29.600 29.700 0.015 0.000 0.738 181 E HN 0.334 nan 8.360 nan 0.000 0.467 182 R N -0.060 120.369 120.500 -0.118 0.000 2.161 182 R HA 0.037 4.383 4.340 0.010 0.000 0.213 182 R C 1.970 178.143 176.300 -0.212 0.000 1.055 182 R CA 0.916 56.918 56.100 -0.163 0.000 0.996 182 R CB 0.112 30.286 30.300 -0.210 0.000 0.901 182 R HN 0.116 nan 8.270 nan 0.000 0.456 183 A N 0.970 123.620 122.820 -0.282 0.000 1.956 183 A HA -0.034 4.292 4.320 0.010 0.000 0.212 183 A C 1.852 179.395 177.584 -0.068 0.000 1.188 183 A CA 0.198 52.099 52.037 -0.226 0.000 0.675 183 A CB -0.412 18.397 19.000 -0.319 0.000 0.845 183 A HN 0.294 nan 8.150 nan 0.000 0.455 184 L N 1.107 122.314 121.223 -0.026 0.000 2.054 184 L HA -0.159 4.187 4.340 0.010 0.000 0.220 184 L C -0.768 176.095 176.870 -0.012 0.000 1.081 184 L CA 2.819 57.660 54.840 0.001 0.000 0.780 184 L CB -1.947 40.114 42.059 0.004 0.000 0.893 184 L HN 0.151 nan 8.230 nan 0.000 0.438 185 P HA -0.143 nan 4.420 nan 0.000 0.218 185 P C 1.313 178.597 177.300 -0.026 0.000 1.154 185 P CA 2.040 65.123 63.100 -0.027 0.000 0.872 185 P CB -0.403 31.276 31.700 -0.035 0.000 0.790 186 G N -1.679 107.103 108.800 -0.030 0.000 3.141 186 G HA2 0.161 4.127 3.960 0.010 0.000 0.218 186 G HA3 0.161 4.127 3.960 0.010 0.000 0.218 186 G C 0.067 174.960 174.900 -0.011 0.000 1.170 186 G CA -0.023 45.059 45.100 -0.030 0.000 0.769 186 G HN 0.147 nan 8.290 nan 0.000 0.546 187 V N 0.971 120.889 119.914 0.007 0.000 2.439 187 V HA 0.288 4.414 4.120 0.010 0.000 0.282 187 V C 0.122 176.232 176.094 0.027 0.000 1.039 187 V CA -0.494 61.825 62.300 0.033 0.000 0.913 187 V CB 1.780 33.635 31.823 0.053 0.000 0.983 187 V HN 0.119 nan 8.190 nan 0.000 0.460 188 D N 2.451 122.878 120.400 0.044 0.000 2.431 188 D HA 0.210 4.856 4.640 0.010 0.000 0.227 188 D C -0.056 176.288 176.300 0.073 0.000 1.030 188 D CA 0.354 54.380 54.000 0.043 0.000 0.897 188 D CB 0.617 41.431 40.800 0.023 0.000 1.058 188 D HN 0.301 nan 8.370 nan 0.000 0.500 189 L N 1.137 122.424 121.223 0.106 0.000 2.406 189 L HA 0.499 4.845 4.340 0.010 0.000 0.272 189 L C -1.887 174.996 176.870 0.023 0.000 0.980 189 L CA -1.009 53.872 54.840 0.068 0.000 0.831 189 L CB 1.814 43.980 42.059 0.178 0.000 1.253 189 L HN -0.175 nan 8.230 nan 0.000 0.406 190 L N 5.040 126.201 121.223 -0.103 0.000 2.362 190 L HA 0.677 5.022 4.340 0.010 0.000 0.275 190 L C -1.526 175.228 176.870 -0.193 0.000 0.998 190 L CA -0.028 54.782 54.840 -0.050 0.000 0.820 190 L CB 1.605 43.661 42.059 -0.005 0.000 1.270 190 L HN 0.436 nan 8.230 nan 0.000 0.415 191 F N 6.038 126.050 119.950 0.103 0.000 2.436 191 F HA 0.709 5.241 4.527 0.009 0.000 0.340 191 F C -0.302 175.539 175.800 0.069 0.000 1.113 191 F CA -0.522 57.536 58.000 0.096 0.000 1.022 191 F CB 1.786 40.879 39.000 0.154 0.000 1.128 191 F HN 0.387 nan 8.300 nan 0.000 0.466 192 L N 2.724 124.059 121.223 0.188 0.000 2.465 192 L HA 0.696 5.042 4.340 0.010 0.000 0.257 192 L C -0.688 176.204 176.870 0.037 0.000 0.988 192 L CA -0.475 54.420 54.840 0.090 0.000 0.827 192 L CB 2.212 44.273 42.059 0.003 0.000 1.397 192 L HN 0.551 nan 8.230 nan 0.000 0.410 193 S N 1.674 117.385 115.700 0.019 0.000 2.638 193 S HA 0.513 4.989 4.470 0.010 0.000 0.298 193 S C 0.585 175.157 174.600 -0.047 0.000 1.111 193 S CA -0.338 57.845 58.200 -0.028 0.000 1.027 193 S CB 1.484 64.676 63.200 -0.013 0.000 1.064 193 S HN 0.768 nan 8.310 nan 0.000 0.525 194 E N 1.020 121.172 120.200 -0.080 0.000 2.038 194 E HA -0.201 4.155 4.350 0.010 0.000 0.195 194 E C 1.664 178.238 176.600 -0.042 0.000 1.000 194 E CA 1.879 58.230 56.400 -0.082 0.000 0.803 194 E CB -0.204 29.429 29.700 -0.112 0.000 0.750 194 E HN 0.805 nan 8.360 nan 0.000 0.448 195 E N 1.005 121.188 120.200 -0.029 0.000 2.070 195 E HA -0.216 4.140 4.350 0.010 0.000 0.197 195 E C 1.912 178.516 176.600 0.007 0.000 1.004 195 E CA 1.388 57.783 56.400 -0.007 0.000 0.805 195 E CB -0.159 29.545 29.700 0.007 0.000 0.744 195 E HN 0.313 nan 8.360 nan 0.000 0.451 196 E N 0.405 120.618 120.200 0.023 0.000 2.058 196 E HA -0.222 4.134 4.350 0.010 0.000 0.194 196 E C 2.146 178.766 176.600 0.033 0.000 0.997 196 E CA 1.074 57.496 56.400 0.038 0.000 0.801 196 E CB -0.249 29.496 29.700 0.076 0.000 0.746 196 E HN 0.311 nan 8.360 nan 0.000 0.450 197 A N 1.403 124.238 122.820 0.025 0.000 1.902 197 A HA -0.246 4.080 4.320 0.010 0.000 0.217 197 A C 2.006 179.646 177.584 0.093 0.000 1.181 197 A CA 1.507 53.572 52.037 0.046 0.000 0.623 197 A CB -0.410 18.562 19.000 -0.047 0.000 0.818 197 A HN 0.169 nan 8.150 nan 0.000 0.443 198 E N -0.633 119.585 120.200 0.030 0.000 2.031 198 E HA -0.137 4.219 4.350 0.010 0.000 0.193 198 E C 1.919 178.519 176.600 -0.001 0.000 0.994 198 E CA 1.024 57.435 56.400 0.018 0.000 0.800 198 E CB -0.223 29.474 29.700 -0.005 0.000 0.752 198 E HN 0.575 nan 8.360 nan 0.000 0.447 199 L N 0.393 121.599 121.223 -0.028 0.000 2.353 199 L HA -0.150 4.196 4.340 0.010 0.000 0.220 199 L C 1.465 178.231 176.870 -0.173 0.000 1.133 199 L CA 0.685 55.470 54.840 -0.091 0.000 0.798 199 L CB 0.220 42.221 42.059 -0.096 0.000 0.922 199 L HN 0.140 nan 8.230 nan 0.000 0.445 200 L N -3.006 118.149 121.223 -0.112 0.000 2.920 200 L HA 0.153 4.499 4.340 0.010 0.000 0.257 200 L C 0.155 176.732 176.870 -0.488 0.000 1.150 200 L CA -0.013 54.676 54.840 -0.251 0.000 0.959 200 L CB 0.701 42.663 42.059 -0.161 0.000 1.321 200 L HN -0.023 nan 8.230 nan 0.000 0.555 201 F N -1.230 118.657 119.950 -0.105 0.000 2.901 201 F HA 0.438 4.971 4.527 0.010 0.000 0.329 201 F C 1.547 177.310 175.800 -0.062 0.000 1.185 201 F CA 0.151 58.104 58.000 -0.078 0.000 1.114 201 F CB 0.745 39.703 39.000 -0.069 0.000 1.199 201 F HN -0.036 nan 8.300 nan 0.000 0.513 202 G N 1.146 109.965 108.800 0.032 0.000 3.548 202 G HA2 -0.319 3.647 3.960 0.010 0.000 0.224 202 G HA3 -0.319 3.647 3.960 0.010 0.000 0.224 202 G C 0.684 175.605 174.900 0.035 0.000 1.351 202 G CA 0.264 45.373 45.100 0.015 0.000 0.905 202 G HN 0.317 nan 8.290 nan 0.000 0.561 203 R N -0.634 119.906 120.500 0.065 0.000 2.750 203 R HA 0.536 4.882 4.340 0.010 0.000 0.281 203 R C 1.344 177.665 176.300 0.036 0.000 0.972 203 R CA -0.286 55.840 56.100 0.042 0.000 0.912 203 R CB 2.066 32.388 30.300 0.036 0.000 1.187 203 R HN 0.132 nan 8.270 nan 0.000 0.464 204 V N 1.476 121.393 119.914 0.004 0.000 2.982 204 V HA -0.196 3.930 4.120 0.010 0.000 0.265 204 V C 1.438 177.512 176.094 -0.034 0.000 1.122 204 V CA 1.664 63.945 62.300 -0.032 0.000 1.143 204 V CB -0.676 31.120 31.823 -0.046 0.000 0.726 204 V HN 0.749 nan 8.190 nan 0.000 0.507 205 E N 0.274 120.476 120.200 0.003 0.000 2.030 205 E HA -0.137 4.219 4.350 0.010 0.000 0.189 205 E C 2.276 178.862 176.600 -0.023 0.000 0.974 205 E CA 0.881 57.287 56.400 0.011 0.000 0.807 205 E CB -0.199 29.523 29.700 0.038 0.000 0.771 205 E HN 0.482 nan 8.360 nan 0.000 0.451 206 E N 1.046 121.252 120.200 0.010 0.000 2.085 206 E HA -0.206 4.150 4.350 0.010 0.000 0.194 206 E C 1.812 178.337 176.600 -0.125 0.000 0.994 206 E CA 1.560 57.975 56.400 0.024 0.000 0.801 206 E CB -0.476 29.308 29.700 0.139 0.000 0.743 206 E HN 0.244 nan 8.360 nan 0.000 0.453 207 A N 0.730 123.395 122.820 -0.257 0.000 1.927 207 A HA -0.236 4.090 4.320 0.010 0.000 0.220 207 A C 2.429 179.637 177.584 -0.626 0.000 1.185 207 A CA 1.960 53.471 52.037 -0.877 0.000 0.639 207 A CB -0.994 17.676 19.000 -0.550 0.000 0.820 207 A HN 0.380 nan 8.150 nan 0.000 0.451 208 L N -1.538 119.475 121.223 -0.349 0.000 2.046 208 L HA -0.192 4.154 4.340 0.010 0.000 0.208 208 L C 2.818 179.566 176.870 -0.203 0.000 1.077 208 L CA 1.855 56.522 54.840 -0.287 0.000 0.747 208 L CB -0.493 41.430 42.059 -0.226 0.000 0.896 208 L HN 0.477 nan 8.230 nan 0.000 0.432 209 R N 0.181 120.592 120.500 -0.148 0.000 2.066 209 R HA -0.142 4.204 4.340 0.010 0.000 0.232 209 R C 2.356 178.601 176.300 -0.092 0.000 1.131 209 R CA 1.369 57.421 56.100 -0.080 0.000 0.955 209 R CB -0.192 30.088 30.300 -0.033 0.000 0.851 209 R HN 0.326 nan 8.270 nan 0.000 0.432 210 A N 1.196 123.930 122.820 -0.144 0.000 1.841 210 A HA -0.018 4.308 4.320 0.010 0.000 0.214 210 A C 1.310 178.808 177.584 -0.143 0.000 1.195 210 A CA 0.855 52.832 52.037 -0.101 0.000 0.611 210 A CB -0.368 18.604 19.000 -0.046 0.000 0.835 210 A HN 0.302 nan 8.150 nan 0.000 0.443 211 L N 2.164 123.215 121.223 -0.288 0.000 2.466 211 L HA 0.179 4.525 4.340 0.010 0.000 0.248 211 L C -0.028 176.749 176.870 -0.154 0.000 1.240 211 L CA -0.264 54.456 54.840 -0.200 0.000 1.180 211 L CB -0.016 41.886 42.059 -0.261 0.000 1.413 211 L HN 0.357 nan 8.230 nan 0.000 0.406 212 S N 0.316 115.958 115.700 -0.097 0.000 3.363 212 S HA 0.611 5.087 4.470 0.010 0.000 0.267 212 S C 0.354 174.932 174.600 -0.036 0.000 1.288 212 S CA -0.762 57.399 58.200 -0.065 0.000 0.948 212 S CB 0.931 64.108 63.200 -0.039 0.000 1.397 212 S HN 0.447 nan 8.310 nan 0.000 0.493 213 A N 3.723 126.520 122.820 -0.038 0.000 2.286 213 A HA 0.698 5.024 4.320 0.010 0.000 0.286 213 A C -1.128 176.459 177.584 0.005 0.000 1.097 213 A CA -2.021 50.008 52.037 -0.014 0.000 0.821 213 A CB -0.112 18.880 19.000 -0.014 0.000 1.076 213 A HN 0.490 nan 8.150 nan 0.000 0.490 214 P HA -0.176 nan 4.420 nan 0.000 0.220 214 P C 0.205 177.533 177.300 0.047 0.000 1.155 214 P CA 1.828 64.945 63.100 0.027 0.000 0.880 214 P CB 0.292 32.006 31.700 0.023 0.000 0.790 215 E N -1.130 119.096 120.200 0.043 0.000 2.278 215 E HA 0.427 4.783 4.350 0.010 0.000 0.272 215 E C -1.831 174.765 176.600 -0.007 0.000 0.890 215 E CA -0.662 55.771 56.400 0.056 0.000 0.770 215 E CB 1.576 31.326 29.700 0.084 0.000 1.212 215 E HN -0.354 nan 8.360 nan 0.000 0.415 216 V N 4.010 123.928 119.914 0.007 0.000 2.686 216 V HA 0.461 4.587 4.120 0.010 0.000 0.306 216 V C -0.701 175.354 176.094 -0.065 0.000 1.065 216 V CA -0.853 61.390 62.300 -0.094 0.000 0.894 216 V CB 1.879 33.616 31.823 -0.144 0.000 1.004 216 V HN 0.514 nan 8.190 nan 0.000 0.424 217 V N 5.379 125.175 119.914 -0.197 0.000 2.448 217 V HA 0.519 4.645 4.120 0.010 0.000 0.295 217 V C -0.589 175.500 176.094 -0.008 0.000 1.025 217 V CA -0.613 61.624 62.300 -0.104 0.000 0.859 217 V CB 1.774 33.392 31.823 -0.342 0.000 0.988 217 V HN 0.680 nan 8.190 nan 0.000 0.431 218 L N 5.971 127.227 121.223 0.056 0.000 2.280 218 L HA 0.539 4.884 4.340 0.010 0.000 0.287 218 L C 0.070 176.911 176.870 -0.049 0.000 1.023 218 L CA -0.199 54.633 54.840 -0.014 0.000 0.819 218 L CB 0.971 42.984 42.059 -0.075 0.000 1.212 218 L HN 0.562 nan 8.230 nan 0.000 0.420 219 K N 5.602 125.951 120.400 -0.085 0.000 2.322 219 K HA 0.353 4.679 4.320 0.010 0.000 0.283 219 K C -0.376 176.096 176.600 -0.213 0.000 1.042 219 K CA -0.027 56.130 56.287 -0.218 0.000 0.958 219 K CB 0.632 32.992 32.500 -0.233 0.000 0.984 219 K HN 0.538 nan 8.250 nan 0.000 0.473 220 R N 2.360 122.709 120.500 -0.253 0.000 2.886 220 R HA 0.178 4.524 4.340 0.010 0.000 0.306 220 R C 0.457 176.642 176.300 -0.193 0.000 1.300 220 R CA -0.277 55.673 56.100 -0.250 0.000 1.441 220 R CB 0.882 30.956 30.300 -0.377 0.000 1.328 220 R HN 0.983 nan 8.270 nan 0.000 0.629 221 G N 1.499 110.202 108.800 -0.163 0.000 2.594 221 G HA2 -0.445 3.520 3.960 0.010 0.000 0.297 221 G HA3 -0.445 3.520 3.960 0.010 0.000 0.297 221 G C 0.785 175.623 174.900 -0.103 0.000 1.273 221 G CA 0.225 45.254 45.100 -0.119 0.000 0.974 221 G HN 0.491 nan 8.290 nan 0.000 0.552 222 A N -0.346 122.437 122.820 -0.061 0.000 2.235 222 A HA 0.300 4.626 4.320 0.010 0.000 0.208 222 A C 1.641 179.202 177.584 -0.039 0.000 1.172 222 A CA 1.641 53.666 52.037 -0.021 0.000 0.786 222 A CB -0.212 18.791 19.000 0.004 0.000 0.804 222 A HN 0.543 nan 8.150 nan 0.000 0.479 223 K N 0.598 120.951 120.400 -0.079 0.000 2.911 223 K HA 0.345 4.671 4.320 0.010 0.000 0.239 223 K C 1.161 177.703 176.600 -0.098 0.000 1.090 223 K CA 0.243 56.478 56.287 -0.088 0.000 1.225 223 K CB -0.435 31.994 32.500 -0.119 0.000 1.087 223 K HN 0.516 nan 8.250 nan 0.000 0.464 224 G N 1.418 110.178 108.800 -0.068 0.000 2.556 224 G HA2 -0.210 3.756 3.960 0.010 0.000 0.283 224 G HA3 -0.210 3.756 3.960 0.010 0.000 0.283 224 G C -0.305 174.551 174.900 -0.073 0.000 1.177 224 G CA -0.327 44.757 45.100 -0.027 0.000 0.978 224 G HN 0.689 nan 8.290 nan 0.000 0.554 225 A N -2.897 119.913 122.820 -0.016 0.000 2.522 225 A HA 0.578 4.904 4.320 0.010 0.000 0.291 225 A C -1.987 175.739 177.584 0.237 0.000 1.039 225 A CA 0.358 52.368 52.037 -0.045 0.000 0.643 225 A CB 0.402 19.417 19.000 0.025 0.000 1.310 225 A HN 1.739 nan 8.150 nan 0.000 0.436 226 W N -0.104 121.289 121.300 0.156 0.000 2.785 226 W HA 0.734 5.399 4.660 0.009 0.000 0.333 226 W C 0.089 176.789 176.519 0.302 0.000 1.062 226 W CA -0.875 56.598 57.345 0.212 0.000 1.233 226 W CB 1.909 31.581 29.460 0.354 0.000 1.413 226 W HN 1.293 nan 8.180 nan 0.000 0.489 227 A N 3.220 126.255 122.820 0.358 0.000 2.304 227 A HA 0.853 5.179 4.320 0.010 0.000 0.323 227 A C -1.582 176.100 177.584 0.163 0.000 1.195 227 A CA -0.508 51.696 52.037 0.278 0.000 0.826 227 A CB 0.339 19.444 19.000 0.174 0.000 1.184 227 A HN 0.452 nan 8.150 nan 0.000 0.496 228 F N 2.892 122.860 119.950 0.030 0.000 2.359 228 F HA 0.480 5.013 4.527 0.009 0.000 0.369 228 F C -0.207 175.599 175.800 0.010 0.000 1.084 228 F CA -0.563 57.446 58.000 0.015 0.000 1.096 228 F CB 1.757 40.763 39.000 0.010 0.000 1.335 228 F HN 0.383 nan 8.300 nan 0.000 0.457 229 V N -0.746 119.221 119.914 0.088 0.000 2.760 229 V HA 0.458 4.584 4.120 0.010 0.000 0.309 229 V C -0.905 175.204 176.094 0.025 0.000 1.077 229 V CA -1.513 60.831 62.300 0.073 0.000 0.910 229 V CB 1.724 33.594 31.823 0.079 0.000 1.008 229 V HN 0.588 nan 8.190 nan 0.000 0.424 230 D N 2.609 123.026 120.400 0.029 0.000 2.705 230 D HA -0.127 4.519 4.640 0.010 0.000 0.240 230 D C 1.418 177.714 176.300 -0.007 0.000 1.137 230 D CA 1.871 55.876 54.000 0.009 0.000 0.677 230 D CB -1.357 39.444 40.800 0.002 0.000 1.049 230 D HN 1.867 nan 8.370 nan 0.000 0.427 231 G N -0.431 108.374 108.800 0.008 0.000 2.230 231 G HA2 -0.438 3.528 3.960 0.010 0.000 0.270 231 G HA3 -0.438 3.528 3.960 0.010 0.000 0.270 231 G C 0.568 175.429 174.900 -0.065 0.000 0.987 231 G CA 1.092 46.188 45.100 -0.006 0.000 0.664 231 G HN 0.730 nan 8.290 nan 0.000 0.539 232 R N -0.182 120.263 120.500 -0.091 0.000 2.549 232 R HA 0.669 5.015 4.340 0.010 0.000 0.267 232 R C 0.086 176.188 176.300 -0.329 0.000 1.045 232 R CA -0.867 55.133 56.100 -0.165 0.000 1.115 232 R CB 0.450 30.684 30.300 -0.111 0.000 1.121 232 R HN 0.219 nan 8.270 nan 0.000 0.543 233 R N 2.141 122.371 120.500 -0.450 0.000 2.718 233 R HA 0.229 4.574 4.340 0.010 0.000 0.266 233 R C -1.018 174.964 176.300 -0.529 0.000 1.776 233 R CA -0.518 55.111 56.100 -0.784 0.000 1.567 233 R CB 1.503 31.151 30.300 -1.088 0.000 1.336 233 R HN 0.266 nan 8.270 nan 0.000 0.619 234 V N 1.566 121.308 119.914 -0.287 0.000 2.715 234 V HA 0.046 4.172 4.120 0.010 0.000 0.299 234 V C 0.753 176.814 176.094 -0.055 0.000 1.054 234 V CA 0.120 62.334 62.300 -0.143 0.000 1.077 234 V CB 1.322 33.131 31.823 -0.024 0.000 0.972 234 V HN 0.542 nan 8.190 nan 0.000 0.484 235 E N 2.279 122.472 120.200 -0.012 0.000 2.204 235 E HA 0.588 4.944 4.350 0.010 0.000 0.276 235 E C 0.089 176.813 176.600 0.206 0.000 0.974 235 E CA -0.450 56.080 56.400 0.216 0.000 0.815 235 E CB 1.634 31.440 29.700 0.177 0.000 1.119 235 E HN 0.819 nan 8.360 nan 0.000 0.393 236 G N 1.299 110.259 108.800 0.267 0.000 2.462 236 G HA2 0.206 4.171 3.960 0.010 0.000 0.319 236 G HA3 0.206 4.171 3.960 0.010 0.000 0.319 236 G C -0.587 174.375 174.900 0.103 0.000 1.171 236 G CA -0.617 44.602 45.100 0.198 0.000 0.920 236 G HN 0.444 nan 8.290 nan 0.000 0.499 237 S N -0.385 115.341 115.700 0.043 0.000 2.525 237 S HA 0.446 4.922 4.470 0.010 0.000 0.285 237 S C 0.796 175.217 174.600 -0.297 0.000 1.283 237 S CA -0.075 58.022 58.200 -0.172 0.000 1.072 237 S CB -0.157 62.868 63.200 -0.291 0.000 0.867 237 S HN 1.055 nan 8.310 nan 0.000 0.492 238 A N 4.745 127.381 122.820 -0.307 0.000 2.351 238 A HA 0.653 4.979 4.320 0.010 0.000 0.257 238 A C -0.642 176.664 177.584 -0.464 0.000 1.087 238 A CA -0.329 51.568 52.037 -0.233 0.000 0.798 238 A CB 0.102 19.028 19.000 -0.125 0.000 1.033 238 A HN 0.820 nan 8.150 nan 0.000 0.488 239 F N 0.694 120.648 119.950 0.008 0.000 2.477 239 F HA 0.497 5.025 4.527 0.002 0.000 0.335 239 F C 0.822 176.621 175.800 -0.003 0.000 1.130 239 F CA -0.253 57.753 58.000 0.009 0.000 0.948 239 F CB 2.232 41.242 39.000 0.015 0.000 1.154 239 F HN 0.630 nan 8.300 nan 0.000 0.439 240 A N 4.006 126.954 122.820 0.213 0.000 3.019 240 A HA 0.438 4.764 4.320 0.010 0.000 0.262 240 A C -0.420 177.231 177.584 0.111 0.000 1.509 240 A CA -0.120 51.987 52.037 0.117 0.000 1.159 240 A CB -0.493 18.550 19.000 0.072 0.000 1.042 240 A HN 0.480 nan 8.150 nan 0.000 0.641 241 V N 0.556 120.540 119.914 0.116 0.000 2.667 241 V HA 0.473 4.599 4.120 0.010 0.000 0.308 241 V C -0.172 175.934 176.094 0.020 0.000 1.048 241 V CA -0.864 61.467 62.300 0.053 0.000 0.928 241 V CB 1.826 33.660 31.823 0.018 0.000 1.004 241 V HN 0.755 nan 8.190 nan 0.000 0.444 242 E N 5.292 125.490 120.200 -0.003 0.000 2.249 242 E HA 0.682 5.038 4.350 0.010 0.000 0.280 242 E C -0.157 176.417 176.600 -0.044 0.000 1.016 242 E CA -0.541 55.847 56.400 -0.020 0.000 0.830 242 E CB 1.666 31.352 29.700 -0.023 0.000 1.081 242 E HN 0.914 nan 8.360 nan 0.000 0.395 243 A N 3.355 126.144 122.820 -0.053 0.000 2.477 243 A HA 0.179 4.505 4.320 0.010 0.000 0.246 243 A C 0.698 178.213 177.584 -0.115 0.000 1.078 243 A CA -0.533 51.457 52.037 -0.078 0.000 0.770 243 A CB 0.795 19.751 19.000 -0.074 0.000 1.011 243 A HN 0.616 nan 8.150 nan 0.000 0.494 244 V N 1.320 121.151 119.914 -0.138 0.000 2.521 244 V HA 0.100 4.226 4.120 0.010 0.000 0.239 244 V C 0.444 176.366 176.094 -0.288 0.000 1.053 244 V CA 1.863 64.048 62.300 -0.192 0.000 1.073 244 V CB -0.113 31.618 31.823 -0.152 0.000 0.746 244 V HN 0.956 nan 8.190 nan 0.000 0.476 245 D N -0.219 120.054 120.400 -0.213 0.000 2.381 245 D HA 0.223 4.869 4.640 0.010 0.000 0.245 245 D C -2.226 174.007 176.300 -0.112 0.000 1.297 245 D CA -1.342 52.544 54.000 -0.191 0.000 0.931 245 D CB 1.577 42.271 40.800 -0.177 0.000 1.334 245 D HN 0.132 nan 8.370 nan 0.000 0.535 246 P HA -0.029 nan 4.420 nan 0.000 0.244 246 P C 0.277 177.557 177.300 -0.033 0.000 1.211 246 P CA 0.076 63.142 63.100 -0.057 0.000 0.760 246 P CB 0.137 31.807 31.700 -0.051 0.000 0.961 247 V N 0.163 120.065 119.914 -0.021 0.000 2.248 247 V HA 0.389 4.515 4.120 0.010 0.000 0.309 247 V C 1.634 177.731 176.094 0.005 0.000 1.722 247 V CA 0.819 63.124 62.300 0.009 0.000 1.693 247 V CB -0.879 30.979 31.823 0.059 0.000 1.470 247 V HN 0.370 nan 8.190 nan 0.000 0.518 248 G N 0.564 109.360 108.800 -0.006 0.000 4.106 248 G HA2 0.054 4.020 3.960 0.010 0.000 0.220 248 G HA3 0.054 4.020 3.960 0.010 0.000 0.220 248 G C 0.860 175.755 174.900 -0.008 0.000 0.853 248 G CA 0.364 45.465 45.100 0.001 0.000 0.920 248 G HN 0.588 nan 8.290 nan 0.000 0.715 249 A N 0.843 123.654 122.820 -0.016 0.000 1.930 249 A HA 0.334 4.660 4.320 0.010 0.000 0.217 249 A C 2.666 180.264 177.584 0.024 0.000 1.175 249 A CA 2.580 54.614 52.037 -0.005 0.000 0.627 249 A CB -0.918 18.067 19.000 -0.025 0.000 0.815 249 A HN 1.282 nan 8.150 nan 0.000 0.443 250 G N 0.288 109.089 108.800 0.002 0.000 2.476 250 G HA2 -0.309 3.657 3.960 0.010 0.000 0.218 250 G HA3 -0.309 3.657 3.960 0.010 0.000 0.218 250 G C 1.104 176.015 174.900 0.018 0.000 1.164 250 G CA 1.380 46.487 45.100 0.012 0.000 0.768 250 G HN 0.519 nan 8.290 nan 0.000 0.560 251 D N 1.074 121.464 120.400 -0.016 0.000 2.103 251 D HA 0.024 4.670 4.640 0.010 0.000 0.199 251 D C 2.847 179.080 176.300 -0.112 0.000 0.978 251 D CA 1.145 55.099 54.000 -0.077 0.000 0.829 251 D CB -0.781 39.991 40.800 -0.047 0.000 0.981 251 D HN 0.309 nan 8.370 nan 0.000 0.464 252 A N 0.907 123.697 122.820 -0.049 0.000 1.917 252 A HA -0.222 4.104 4.320 0.010 0.000 0.219 252 A C 2.116 179.674 177.584 -0.044 0.000 1.182 252 A CA 1.316 53.320 52.037 -0.055 0.000 0.633 252 A CB -1.124 17.864 19.000 -0.020 0.000 0.819 252 A HN 0.220 nan 8.150 nan 0.000 0.448 253 F N 0.899 120.774 119.950 -0.125 0.000 2.046 253 F HA -0.134 4.399 4.527 0.011 0.000 0.297 253 F C 2.616 178.328 175.800 -0.147 0.000 1.123 253 F CA 1.468 59.418 58.000 -0.084 0.000 1.199 253 F CB -0.783 38.187 39.000 -0.051 0.000 0.972 253 F HN 0.270 nan 8.300 nan 0.000 0.474 254 A N 0.593 123.212 122.820 -0.334 0.000 1.873 254 A HA -0.199 4.127 4.320 0.010 0.000 0.218 254 A C 2.461 179.695 177.584 -0.584 0.000 1.193 254 A CA 2.615 54.098 52.037 -0.923 0.000 0.629 254 A CB -1.765 16.484 19.000 -1.252 0.000 0.826 254 A HN 0.619 nan 8.150 nan 0.000 0.447 255 A N -0.671 121.877 122.820 -0.452 0.000 1.873 255 A HA 0.000 4.326 4.320 0.010 0.000 0.218 255 A C 2.530 179.922 177.584 -0.321 0.000 1.193 255 A CA 2.409 54.224 52.037 -0.370 0.000 0.629 255 A CB -1.648 17.180 19.000 -0.286 0.000 0.826 255 A HN 0.947 nan 8.150 nan 0.000 0.447 256 G N -2.035 106.602 108.800 -0.273 0.000 2.476 256 G HA2 -0.321 3.644 3.960 0.010 0.000 0.218 256 G HA3 -0.321 3.644 3.960 0.010 0.000 0.218 256 G C 1.574 176.334 174.900 -0.233 0.000 1.164 256 G CA 1.384 46.345 45.100 -0.232 0.000 0.768 256 G HN 0.556 nan 8.290 nan 0.000 0.560 257 Y N 0.946 121.014 120.300 -0.387 0.000 2.274 257 Y HA 0.048 4.604 4.550 0.009 0.000 0.290 257 Y C 2.672 178.435 175.900 -0.228 0.000 1.145 257 Y CA 0.932 58.881 58.100 -0.251 0.000 1.203 257 Y CB -0.100 38.306 38.460 -0.090 0.000 0.984 257 Y HN 0.096 nan 8.280 nan 0.000 0.533 258 L N -1.165 119.926 121.223 -0.221 0.000 2.017 258 L HA -0.235 4.111 4.340 0.010 0.000 0.208 258 L C 2.720 179.237 176.870 -0.590 0.000 1.073 258 L CA 1.200 55.780 54.840 -0.433 0.000 0.745 258 L CB -1.081 40.721 42.059 -0.429 0.000 0.894 258 L HN 0.273 nan 8.230 nan 0.000 0.432 259 A N 0.463 122.923 122.820 -0.599 0.000 1.892 259 A HA -0.186 4.140 4.320 0.010 0.000 0.218 259 A C 2.381 179.402 177.584 -0.939 0.000 1.188 259 A CA 1.954 53.425 52.037 -0.942 0.000 0.631 259 A CB -1.351 17.105 19.000 -0.907 0.000 0.822 259 A HN 0.466 nan 8.150 nan 0.000 0.447 260 G N -0.528 107.963 108.800 -0.515 0.000 2.491 260 G HA2 -0.075 3.891 3.960 0.010 0.000 0.218 260 G HA3 -0.075 3.891 3.960 0.010 0.000 0.218 260 G C 1.818 176.565 174.900 -0.255 0.000 1.180 260 G CA 1.881 46.825 45.100 -0.260 0.000 0.774 260 G HN 0.899 nan 8.290 nan 0.000 0.562 261 A N 0.031 122.608 122.820 -0.404 0.000 1.883 261 A HA 0.011 4.337 4.320 0.010 0.000 0.217 261 A C 2.608 180.100 177.584 -0.153 0.000 1.186 261 A CA 2.072 53.946 52.037 -0.271 0.000 0.624 261 A CB -0.820 17.968 19.000 -0.352 0.000 0.822 261 A HN 0.346 nan 8.150 nan 0.000 0.444 262 V N -1.856 117.859 119.914 -0.331 0.000 2.469 262 V HA -0.240 3.886 4.120 0.010 0.000 0.251 262 V C 1.950 178.016 176.094 -0.046 0.000 1.064 262 V CA 1.442 63.617 62.300 -0.208 0.000 1.066 262 V CB -0.869 30.691 31.823 -0.440 0.000 0.667 262 V HN 0.799 nan 8.190 nan 0.000 0.461 263 W N -0.042 121.226 121.300 -0.053 0.000 3.353 263 W HA 0.467 5.132 4.660 0.008 0.000 0.304 263 W C 1.614 178.116 176.519 -0.029 0.000 1.273 263 W CA 0.175 57.498 57.345 -0.036 0.000 1.773 263 W CB -1.035 28.395 29.460 -0.050 0.000 1.095 263 W HN 0.429 nan 8.180 nan 0.000 0.676 264 G N 1.867 110.757 108.800 0.150 0.000 2.338 264 G HA2 -0.289 3.677 3.960 0.010 0.000 0.296 264 G HA3 -0.289 3.677 3.960 0.010 0.000 0.296 264 G C -0.156 174.786 174.900 0.071 0.000 1.040 264 G CA -0.063 45.092 45.100 0.092 0.000 1.004 264 G HN 0.179 nan 8.290 nan 0.000 0.509 265 L N -0.465 120.787 121.223 0.049 0.000 2.343 265 L HA 0.478 4.824 4.340 0.010 0.000 0.275 265 L C -1.840 175.025 176.870 -0.009 0.000 1.056 265 L CA -2.526 52.334 54.840 0.033 0.000 0.804 265 L CB 1.337 43.429 42.059 0.055 0.000 1.203 265 L HN -0.109 nan 8.230 nan 0.000 0.440 266 P HA -0.018 nan 4.420 nan 0.000 0.265 266 P C 1.027 178.330 177.300 0.006 0.000 1.193 266 P CA -0.165 62.940 63.100 0.010 0.000 0.765 266 P CB 0.720 32.431 31.700 0.019 0.000 0.823 267 V N 2.759 122.688 119.914 0.024 0.000 2.357 267 V HA -0.320 3.806 4.120 0.010 0.000 0.257 267 V C 1.920 178.090 176.094 0.126 0.000 1.082 267 V CA 2.072 64.421 62.300 0.082 0.000 1.078 267 V CB -1.077 30.820 31.823 0.123 0.000 0.663 267 V HN 0.594 nan 8.190 nan 0.000 0.455 268 E N 0.169 120.421 120.200 0.087 0.000 2.051 268 E HA -0.202 4.154 4.350 0.010 0.000 0.192 268 E C 2.212 178.875 176.600 0.105 0.000 0.991 268 E CA 1.530 57.988 56.400 0.098 0.000 0.799 268 E CB -0.348 29.389 29.700 0.062 0.000 0.748 268 E HN 0.712 nan 8.360 nan 0.000 0.449 269 E N 0.213 120.453 120.200 0.066 0.000 2.150 269 E HA -0.122 4.234 4.350 0.010 0.000 0.193 269 E C 2.074 178.701 176.600 0.045 0.000 0.985 269 E CA 0.756 57.193 56.400 0.062 0.000 0.814 269 E CB -0.040 29.688 29.700 0.047 0.000 0.752 269 E HN 0.166 nan 8.360 nan 0.000 0.466 270 R N 0.472 120.952 120.500 -0.033 0.000 2.073 270 R HA -0.111 4.235 4.340 0.010 0.000 0.234 270 R C 2.438 178.825 176.300 0.144 0.000 1.134 270 R CA 1.003 56.971 56.100 -0.220 0.000 0.952 270 R CB -0.464 29.312 30.300 -0.872 0.000 0.850 270 R HN 0.159 nan 8.270 nan 0.000 0.433 271 L N 0.433 121.885 121.223 0.383 0.000 1.961 271 L HA -0.184 4.161 4.340 0.010 0.000 0.210 271 L C 2.885 179.930 176.870 0.292 0.000 1.072 271 L CA 1.403 56.486 54.840 0.405 0.000 0.749 271 L CB -0.602 41.670 42.059 0.354 0.000 0.889 271 L HN 0.214 nan 8.230 nan 0.000 0.432 272 R N 0.131 120.775 120.500 0.239 0.000 2.159 272 R HA -0.293 4.053 4.340 0.010 0.000 0.249 272 R C 2.333 178.759 176.300 0.211 0.000 1.136 272 R CA 2.371 58.610 56.100 0.231 0.000 0.951 272 R CB -0.566 29.832 30.300 0.164 0.000 0.876 272 R HN 0.197 nan 8.270 nan 0.000 0.440 273 L N 0.554 121.858 121.223 0.135 0.000 1.989 273 L HA -0.133 4.213 4.340 0.010 0.000 0.211 273 L C 2.437 179.330 176.870 0.037 0.000 1.071 273 L CA 2.357 57.242 54.840 0.076 0.000 0.749 273 L CB -1.029 41.047 42.059 0.028 0.000 0.890 273 L HN 0.317 nan 8.230 nan 0.000 0.431 274 A N -0.151 122.654 122.820 -0.025 0.000 1.892 274 A HA -0.313 4.013 4.320 0.010 0.000 0.218 274 A C 1.999 179.679 177.584 0.161 0.000 1.188 274 A CA 2.400 54.267 52.037 -0.283 0.000 0.631 274 A CB -1.237 17.093 19.000 -1.117 0.000 0.822 274 A HN 0.771 nan 8.150 nan 0.000 0.447 275 N N -0.400 118.568 118.700 0.446 0.000 2.166 275 N HA -0.121 4.625 4.740 0.010 0.000 0.186 275 N C 1.585 177.177 175.510 0.137 0.000 1.019 275 N CA 1.105 54.454 53.050 0.499 0.000 0.856 275 N CB -0.276 38.618 38.487 0.679 0.000 0.993 275 N HN 0.340 nan 8.380 nan 0.000 0.426 276 L N 1.264 122.536 121.223 0.081 0.000 2.042 276 L HA -0.133 4.213 4.340 0.010 0.000 0.210 276 L C 2.005 178.839 176.870 -0.060 0.000 1.076 276 L CA 1.411 56.212 54.840 -0.065 0.000 0.749 276 L CB -0.455 41.608 42.059 0.007 0.000 0.893 276 L HN 0.225 nan 8.230 nan 0.000 0.432 277 L N -1.002 120.217 121.223 -0.006 0.000 1.976 277 L HA -0.112 4.234 4.340 0.010 0.000 0.209 277 L C 2.604 179.469 176.870 -0.007 0.000 1.071 277 L CA 2.012 56.837 54.840 -0.026 0.000 0.746 277 L CB -2.322 39.710 42.059 -0.045 0.000 0.890 277 L HN 0.417 nan 8.230 nan 0.000 0.432 278 G N -0.228 108.623 108.800 0.084 0.000 2.513 278 G HA2 -0.317 3.648 3.960 0.010 0.000 0.219 278 G HA3 -0.317 3.648 3.960 0.010 0.000 0.219 278 G C 1.763 176.652 174.900 -0.018 0.000 1.160 278 G CA 1.468 46.617 45.100 0.081 0.000 0.767 278 G HN 0.512 nan 8.290 nan 0.000 0.571 279 A N 0.388 123.162 122.820 -0.076 0.000 1.865 279 A HA -0.087 4.239 4.320 0.010 0.000 0.217 279 A C 2.676 180.182 177.584 -0.131 0.000 1.191 279 A CA 2.584 54.521 52.037 -0.165 0.000 0.623 279 A CB -1.041 17.727 19.000 -0.387 0.000 0.826 279 A HN 0.476 nan 8.150 nan 0.000 0.444 280 S N -0.880 114.750 115.700 -0.117 0.000 2.383 280 S HA -0.124 4.352 4.470 0.010 0.000 0.229 280 S C 1.835 176.387 174.600 -0.080 0.000 1.030 280 S CA 1.674 59.819 58.200 -0.091 0.000 1.002 280 S CB -0.430 62.725 63.200 -0.076 0.000 0.829 280 S HN 0.311 nan 8.310 nan 0.000 0.467 281 V N 1.652 121.521 119.914 -0.074 0.000 2.591 281 V HA 0.039 4.165 4.120 0.010 0.000 0.249 281 V C 2.697 178.738 176.094 -0.089 0.000 1.053 281 V CA 1.373 63.626 62.300 -0.079 0.000 1.068 281 V CB -1.084 30.703 31.823 -0.059 0.000 0.689 281 V HN 0.567 nan 8.190 nan 0.000 0.462 282 A N 0.216 122.988 122.820 -0.079 0.000 1.968 282 A HA 0.089 4.415 4.320 0.010 0.000 0.217 282 A C 2.179 179.705 177.584 -0.096 0.000 1.169 282 A CA 1.453 53.440 52.037 -0.083 0.000 0.638 282 A CB -0.441 18.516 19.000 -0.071 0.000 0.812 282 A HN 0.551 nan 8.150 nan 0.000 0.446 283 A N -1.106 121.658 122.820 -0.092 0.000 2.259 283 A HA 0.475 4.801 4.320 0.010 0.000 0.208 283 A C 0.783 178.314 177.584 -0.089 0.000 1.201 283 A CA 0.515 52.499 52.037 -0.087 0.000 0.824 283 A CB -0.225 18.728 19.000 -0.079 0.000 0.838 283 A HN 0.268 nan 8.150 nan 0.000 0.485 284 S N -0.656 114.981 115.700 -0.105 0.000 2.569 284 S HA 0.481 4.957 4.470 0.010 0.000 0.280 284 S C -0.288 174.216 174.600 -0.160 0.000 1.111 284 S CA -0.779 57.353 58.200 -0.113 0.000 0.887 284 S CB 1.331 64.470 63.200 -0.102 0.000 1.095 284 S HN 0.496 nan 8.310 nan 0.000 0.476 285 R N 1.035 121.440 120.500 -0.160 0.000 2.543 285 R HA 0.550 4.896 4.340 0.010 0.000 0.277 285 R C 0.550 176.543 176.300 -0.510 0.000 1.074 285 R CA 0.417 56.386 56.100 -0.219 0.000 1.076 285 R CB 0.493 30.754 30.300 -0.066 0.000 0.993 285 R HN 0.990 nan 8.270 nan 0.000 0.459 286 G N 2.283 110.641 108.800 -0.736 0.000 2.617 286 G HA2 -0.171 3.795 3.960 0.010 0.000 0.686 286 G HA3 -0.171 3.795 3.960 0.010 0.000 0.686 286 G C -0.226 174.372 174.900 -0.503 0.000 1.214 286 G CA -0.541 43.858 45.100 -1.169 0.000 0.796 286 G HN 0.564 nan 8.290 nan 0.000 0.654 287 D N -0.112 120.082 120.400 -0.343 0.000 2.092 287 D HA -0.046 4.600 4.640 0.010 0.000 0.193 287 D C 1.930 178.185 176.300 -0.076 0.000 0.994 287 D CA 2.272 56.221 54.000 -0.085 0.000 0.828 287 D CB -0.010 40.857 40.800 0.112 0.000 0.963 287 D HN 0.736 nan 8.370 nan 0.000 0.450 288 H N -1.720 117.288 119.070 -0.103 0.000 2.916 288 H HA 0.271 4.833 4.556 0.010 0.000 0.262 288 H C -0.513 174.750 175.328 -0.109 0.000 1.178 288 H CA -0.294 55.693 56.048 -0.103 0.000 1.090 288 H CB 0.025 29.730 29.762 -0.096 0.000 1.657 288 H HN -0.034 nan 8.280 nan 0.000 0.601 289 E N 1.453 121.393 120.200 -0.433 0.000 2.360 289 E HA 0.296 4.652 4.350 0.010 0.000 0.269 289 E C 0.947 177.454 176.600 -0.156 0.000 1.022 289 E CA 0.807 57.044 56.400 -0.272 0.000 0.887 289 E CB 1.312 30.834 29.700 -0.296 0.000 0.990 289 E HN 0.696 nan 8.360 nan 0.000 0.426 290 G N 1.742 110.493 108.800 -0.081 0.000 2.253 290 G HA2 -0.227 3.739 3.960 0.010 0.000 0.209 290 G HA3 -0.227 3.739 3.960 0.010 0.000 0.209 290 G C 0.440 175.298 174.900 -0.069 0.000 0.997 290 G CA -0.154 44.909 45.100 -0.062 0.000 0.640 290 G HN 0.775 nan 8.290 nan 0.000 0.496 291 A N 2.609 125.371 122.820 -0.096 0.000 2.522 291 A HA 0.590 4.916 4.320 0.010 0.000 0.256 291 A C -0.947 176.485 177.584 -0.253 0.000 1.086 291 A CA -0.046 51.902 52.037 -0.149 0.000 0.763 291 A CB 0.092 19.003 19.000 -0.148 0.000 1.024 291 A HN 0.327 nan 8.150 nan 0.000 0.502 292 P HA 0.260 nan 4.420 nan 0.000 0.274 292 P C -1.091 176.042 177.300 -0.278 0.000 1.246 292 P CA 0.091 63.118 63.100 -0.122 0.000 0.795 292 P CB 0.463 32.151 31.700 -0.021 0.000 1.006 293 Y N -0.726 119.587 120.300 0.021 0.000 2.457 293 Y HA 0.373 4.929 4.550 0.009 0.000 0.333 293 Y C 2.300 178.225 175.900 0.041 0.000 1.119 293 Y CA -0.610 57.508 58.100 0.030 0.000 1.143 293 Y CB 0.783 39.256 38.460 0.022 0.000 1.230 293 Y HN 0.342 nan 8.280 nan 0.000 0.469 294 R N 1.352 121.968 120.500 0.193 0.000 2.136 294 R HA -0.277 4.069 4.340 0.010 0.000 0.242 294 R C 1.724 178.081 176.300 0.095 0.000 1.131 294 R CA 2.586 58.771 56.100 0.141 0.000 0.937 294 R CB -0.226 30.152 30.300 0.130 0.000 0.863 294 R HN 1.008 nan 8.270 nan 0.000 0.435 295 E N -0.369 119.888 120.200 0.096 0.000 2.333 295 E HA -0.209 4.147 4.350 0.010 0.000 0.200 295 E C 0.869 177.501 176.600 0.052 0.000 1.010 295 E CA 1.445 57.876 56.400 0.052 0.000 0.841 295 E CB -0.142 29.580 29.700 0.036 0.000 0.757 295 E HN 0.429 nan 8.360 nan 0.000 0.508 296 D N 1.229 121.681 120.400 0.087 0.000 2.137 296 D HA -0.033 4.613 4.640 0.010 0.000 0.202 296 D C 2.187 178.516 176.300 0.049 0.000 0.970 296 D CA 0.725 54.769 54.000 0.073 0.000 0.837 296 D CB -0.143 40.723 40.800 0.109 0.000 0.981 296 D HN 0.254 nan 8.370 nan 0.000 0.475 297 L N 1.123 122.377 121.223 0.051 0.000 2.046 297 L HA -0.162 4.184 4.340 0.010 0.000 0.208 297 L C 2.321 179.198 176.870 0.010 0.000 1.077 297 L CA 1.183 56.044 54.840 0.036 0.000 0.747 297 L CB -0.541 41.544 42.059 0.044 0.000 0.896 297 L HN 0.010 nan 8.230 nan 0.000 0.432 298 E N 0.223 120.422 120.200 -0.002 0.000 2.049 298 E HA -0.228 4.128 4.350 0.010 0.000 0.198 298 E C 2.181 178.777 176.600 -0.007 0.000 1.007 298 E CA 1.935 58.324 56.400 -0.018 0.000 0.809 298 E CB -0.406 29.282 29.700 -0.020 0.000 0.749 298 E HN 0.451 nan 8.360 nan 0.000 0.450 299 V N 1.014 120.930 119.914 0.004 0.000 2.358 299 V HA -0.194 3.932 4.120 0.010 0.000 0.246 299 V C 2.318 178.417 176.094 0.009 0.000 1.047 299 V CA 1.272 63.575 62.300 0.006 0.000 1.035 299 V CB -0.684 31.145 31.823 0.010 0.000 0.658 299 V HN 0.150 nan 8.190 nan 0.000 0.452 300 L N -0.769 120.463 121.223 0.015 0.000 2.549 300 L HA 0.055 4.401 4.340 0.010 0.000 0.229 300 L C 1.802 178.682 176.870 0.017 0.000 1.158 300 L CA 1.433 56.284 54.840 0.019 0.000 0.842 300 L CB -0.568 41.506 42.059 0.026 0.000 0.952 300 L HN 0.276 nan 8.230 nan 0.000 0.452 301 L N -0.113 121.114 121.223 0.007 0.000 2.187 301 L HA 0.411 4.757 4.340 0.010 0.000 0.197 301 L C 1.155 178.025 176.870 -0.001 0.000 1.090 301 L CA 1.662 56.503 54.840 0.001 0.000 0.781 301 L CB -0.399 41.651 42.059 -0.015 0.000 0.956 301 L HN 0.176 nan 8.230 nan 0.000 0.463 302 K N 0.000 120.397 120.400 -0.005 0.000 2.780 302 K HA 0.000 4.326 4.320 0.010 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543