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 1fp8_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 MKVLQFAFDD GMENPFLPHN 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 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 E N 3.225 123.430 120.200 0.008 0.000 1.996 2 E HA 0.493 4.841 4.350 -0.003 0.000 0.280 2 E C -1.245 175.372 176.600 0.029 0.000 1.092 2 E CA -0.140 56.267 56.400 0.012 0.000 0.862 2 E CB 0.922 30.633 29.700 0.018 0.000 1.066 2 E HN 0.623 nan 8.360 nan 0.000 0.396 3 L N 5.991 127.224 121.223 0.017 0.000 2.312 3 L HA 0.358 4.696 4.340 -0.003 0.000 0.281 3 L C -1.742 175.151 176.870 0.038 0.000 1.070 3 L CA -1.748 53.105 54.840 0.022 0.000 0.805 3 L CB 1.080 43.115 42.059 -0.039 0.000 1.174 3 L HN 0.225 nan 8.230 nan 0.000 0.434 4 P HA 0.106 nan 4.420 nan 0.000 0.276 4 P C -0.980 176.361 177.300 0.068 0.000 1.244 4 P CA -0.771 62.375 63.100 0.077 0.000 0.801 4 P CB 0.853 32.616 31.700 0.105 0.000 1.006 5 R N 1.163 121.704 120.500 0.068 0.000 2.309 5 R HA 0.493 4.831 4.340 -0.003 0.000 0.331 5 R C -0.439 175.919 176.300 0.097 0.000 1.116 5 R CA 0.092 56.234 56.100 0.070 0.000 0.970 5 R CB -0.674 29.671 30.300 0.075 0.000 1.024 5 R HN 0.655 nan 8.270 nan 0.000 0.472 6 A N 4.022 126.899 122.820 0.096 0.000 2.534 6 A HA 0.672 4.991 4.320 -0.003 0.000 0.300 6 A C -1.562 176.124 177.584 0.169 0.000 1.223 6 A CA -0.771 51.359 52.037 0.156 0.000 0.666 6 A CB 0.966 20.090 19.000 0.206 0.000 1.316 6 A HN 0.657 nan 8.150 nan 0.000 0.468 7 F N -1.596 118.384 119.950 0.050 0.000 2.650 7 F HA 0.923 5.448 4.527 -0.003 0.000 0.320 7 F C -0.033 175.804 175.800 0.063 0.000 1.091 7 F CA -0.122 57.859 58.000 -0.032 0.000 0.962 7 F CB 1.317 40.304 39.000 -0.021 0.000 1.363 7 F HN 1.270 nan 8.300 nan 0.000 0.482 8 G N 0.987 109.745 108.800 -0.070 0.000 2.663 8 G HA2 0.636 4.594 3.960 -0.003 0.000 0.299 8 G HA3 0.636 4.594 3.960 -0.003 0.000 0.299 8 G C -2.455 172.557 174.900 0.186 0.000 1.372 8 G CA -1.103 43.945 45.100 -0.086 0.000 0.781 8 G HN 0.834 nan 8.290 nan 0.000 0.491 9 L N -0.118 121.284 121.223 0.299 0.000 2.388 9 L HA 0.594 4.932 4.340 -0.003 0.000 0.264 9 L C -1.136 176.036 176.870 0.504 0.000 0.998 9 L CA -1.012 54.091 54.840 0.438 0.000 0.817 9 L CB 2.267 44.670 42.059 0.573 0.000 1.338 9 L HN 0.469 nan 8.230 nan 0.000 0.414 10 L N 3.771 125.251 121.223 0.429 0.000 2.282 10 L HA 0.734 5.073 4.340 -0.003 0.000 0.288 10 L C -1.222 175.896 176.870 0.414 0.000 1.033 10 L CA -0.302 54.775 54.840 0.396 0.000 0.807 10 L CB 1.379 43.636 42.059 0.330 0.000 1.209 10 L HN 0.523 nan 8.230 nan 0.000 0.423 11 L N 4.946 126.435 121.223 0.443 0.000 2.737 11 L HA 0.373 4.712 4.340 -0.003 0.000 0.261 11 L C -1.344 175.771 176.870 0.408 0.000 0.949 11 L CA -0.306 54.765 54.840 0.385 0.000 0.952 11 L CB 1.052 43.191 42.059 0.134 0.000 1.337 11 L HN 0.762 nan 8.230 nan 0.000 0.430 12 H N 6.044 125.248 119.070 0.223 0.000 2.732 12 H HA 0.351 4.906 4.556 -0.003 0.000 0.351 12 H C -1.948 173.495 175.328 0.192 0.000 1.090 12 H CA -1.318 54.829 56.048 0.165 0.000 1.431 12 H CB 1.410 31.268 29.762 0.161 0.000 1.447 12 H HN 0.427 nan 8.280 nan 0.000 0.582 13 P HA -0.184 nan 4.420 nan 0.000 0.217 13 P C 1.264 178.532 177.300 -0.054 0.000 1.148 13 P CA 2.321 65.427 63.100 0.011 0.000 0.828 13 P CB 0.071 31.805 31.700 0.056 0.000 0.783 14 T N -4.432 110.069 114.554 -0.088 0.000 2.881 14 T HA -0.080 4.269 4.350 -0.003 0.000 0.270 14 T C 1.748 176.427 174.700 -0.035 0.000 1.068 14 T CA 1.442 63.550 62.100 0.013 0.000 1.131 14 T CB -1.165 67.818 68.868 0.191 0.000 0.871 14 T HN -0.021 nan 8.240 nan 0.000 0.479 15 S N 0.878 116.564 115.700 -0.023 0.000 2.561 15 S HA 0.311 4.779 4.470 -0.003 0.000 0.225 15 S C 0.722 175.124 174.600 -0.330 0.000 0.977 15 S CA -0.185 57.895 58.200 -0.200 0.000 0.926 15 S CB -0.516 62.629 63.200 -0.092 0.000 0.769 15 S HN 0.472 nan 8.310 nan 0.000 0.533 16 L N 3.264 124.355 121.223 -0.221 0.000 2.483 16 L HA 0.172 4.510 4.340 -0.003 0.000 0.276 16 L C -1.827 174.903 176.870 -0.234 0.000 1.213 16 L CA -1.538 53.163 54.840 -0.233 0.000 0.843 16 L CB 0.035 41.999 42.059 -0.159 0.000 1.107 16 L HN 0.037 nan 8.230 nan 0.000 0.487 17 P HA 0.427 nan 4.420 nan 0.000 0.276 17 P C -0.355 176.846 177.300 -0.164 0.000 1.261 17 P CA -0.122 62.858 63.100 -0.200 0.000 0.800 17 P CB 1.508 33.105 31.700 -0.170 0.000 1.066 18 G N -0.214 108.484 108.800 -0.170 0.000 2.326 18 G HA2 0.179 4.137 3.960 -0.003 0.000 0.413 18 G HA3 0.179 4.137 3.960 -0.003 0.000 0.413 18 G C -3.256 171.503 174.900 -0.233 0.000 1.444 18 G CA -0.861 44.138 45.100 -0.168 0.000 1.002 18 G HN 0.563 nan 8.290 nan 0.000 0.649 19 P HA 0.429 nan 4.420 nan 0.000 0.274 19 P C -0.349 176.613 177.300 -0.563 0.000 1.237 19 P CA 0.208 62.956 63.100 -0.588 0.000 0.793 19 P CB 0.294 31.444 31.700 -0.916 0.000 0.977 20 Y N -0.778 119.383 120.300 -0.233 0.000 4.629 20 Y HA -0.180 4.368 4.550 -0.003 0.000 0.247 20 Y C 1.391 176.538 175.900 -1.255 0.000 1.106 20 Y CA 0.291 58.095 58.100 -0.493 0.000 2.131 20 Y CB -2.333 36.030 38.460 -0.162 0.000 1.614 20 Y HN 0.779 nan 8.280 nan 0.000 0.714 21 G N -0.925 107.093 108.800 -1.304 0.000 2.205 21 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.261 21 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.261 21 G C -0.215 174.275 174.900 -0.683 0.000 0.980 21 G CA 0.273 44.504 45.100 -1.449 0.000 0.632 21 G HN 1.268 nan 8.290 nan 0.000 0.533 22 V N -0.626 119.022 119.914 -0.442 0.000 3.108 22 V HA 0.673 4.791 4.120 -0.003 0.000 0.287 22 V C 0.548 176.540 176.094 -0.170 0.000 1.436 22 V CA 0.232 62.363 62.300 -0.282 0.000 1.001 22 V CB 1.666 33.339 31.823 -0.251 0.000 1.141 22 V HN 1.492 nan 8.190 nan 0.000 0.443 23 G N 3.426 112.143 108.800 -0.138 0.000 2.414 23 G HA2 0.512 4.471 3.960 -0.003 0.000 0.236 23 G HA3 0.512 4.471 3.960 -0.003 0.000 0.236 23 G C -0.225 174.650 174.900 -0.041 0.000 1.293 23 G CA 0.584 45.625 45.100 -0.099 0.000 0.869 23 G HN 1.653 nan 8.290 nan 0.000 0.556 24 V N 0.429 120.328 119.914 -0.025 0.000 3.158 24 V HA 0.607 4.726 4.120 -0.003 0.000 0.311 24 V C 0.372 176.470 176.094 0.006 0.000 1.181 24 V CA -1.318 60.984 62.300 0.004 0.000 1.054 24 V CB 1.819 33.648 31.823 0.009 0.000 1.085 24 V HN 0.577 nan 8.190 nan 0.000 0.446 25 L N 2.230 123.451 121.223 -0.003 0.000 2.583 25 L HA 0.635 4.973 4.340 -0.003 0.000 0.239 25 L C 0.803 177.632 176.870 -0.068 0.000 1.347 25 L CA 0.545 55.370 54.840 -0.025 0.000 1.246 25 L CB -1.078 40.944 42.059 -0.063 0.000 1.496 25 L HN 1.017 nan 8.230 nan 0.000 0.413 26 G N -0.684 108.085 108.800 -0.053 0.000 3.247 26 G HA2 0.176 4.134 3.960 -0.003 0.000 0.199 26 G HA3 0.176 4.134 3.960 -0.003 0.000 0.199 26 G C 0.256 175.122 174.900 -0.058 0.000 1.172 26 G CA -0.148 44.917 45.100 -0.058 0.000 0.844 26 G HN 0.139 nan 8.290 nan 0.000 0.619 27 Q N -0.281 119.491 119.800 -0.047 0.000 2.096 27 Q HA -0.140 4.198 4.340 -0.003 0.000 0.208 27 Q C 2.266 178.240 176.000 -0.044 0.000 0.993 27 Q CA 2.753 58.530 55.803 -0.044 0.000 0.862 27 Q CB -0.311 28.407 28.738 -0.033 0.000 0.915 27 Q HN 0.615 nan 8.270 nan 0.000 0.416 28 E N -0.375 119.798 120.200 -0.044 0.000 2.110 28 E HA -0.108 4.241 4.350 -0.003 0.000 0.193 28 E C 1.807 178.385 176.600 -0.036 0.000 0.988 28 E CA 1.264 57.638 56.400 -0.044 0.000 0.804 28 E CB -0.505 29.157 29.700 -0.064 0.000 0.745 28 E HN 0.474 nan 8.360 nan 0.000 0.458 29 A N 1.039 123.826 122.820 -0.055 0.000 1.902 29 A HA -0.198 4.121 4.320 -0.003 0.000 0.217 29 A C 2.058 179.582 177.584 -0.099 0.000 1.181 29 A CA 1.544 53.532 52.037 -0.081 0.000 0.623 29 A CB -0.362 18.596 19.000 -0.070 0.000 0.818 29 A HN 0.081 nan 8.150 nan 0.000 0.443 30 R N -0.422 120.023 120.500 -0.092 0.000 2.096 30 R HA -0.107 4.231 4.340 -0.003 0.000 0.235 30 R C 1.444 177.699 176.300 -0.074 0.000 1.127 30 R CA 1.362 57.403 56.100 -0.099 0.000 0.968 30 R CB -0.361 29.889 30.300 -0.084 0.000 0.861 30 R HN 0.487 nan 8.270 nan 0.000 0.440 31 D N 0.173 120.552 120.400 -0.036 0.000 2.144 31 D HA -0.164 4.474 4.640 -0.003 0.000 0.200 31 D C 1.520 177.832 176.300 0.020 0.000 0.978 31 D CA 0.928 54.924 54.000 -0.007 0.000 0.833 31 D CB -0.187 40.616 40.800 0.006 0.000 0.961 31 D HN 0.110 nan 8.370 nan 0.000 0.470 32 F N 1.367 121.238 119.950 -0.131 0.000 2.186 32 F HA -0.060 4.465 4.527 -0.003 0.000 0.299 32 F C 2.062 177.786 175.800 -0.126 0.000 1.090 32 F CA 0.907 58.820 58.000 -0.144 0.000 1.307 32 F CB -0.238 38.594 39.000 -0.279 0.000 1.019 32 F HN -0.136 nan 8.300 nan 0.000 0.489 33 L N -0.069 120.959 121.223 -0.325 0.000 2.093 33 L HA -0.182 4.156 4.340 -0.003 0.000 0.208 33 L C 2.708 179.409 176.870 -0.281 0.000 1.085 33 L CA 1.507 56.115 54.840 -0.388 0.000 0.755 33 L CB -0.673 41.224 42.059 -0.269 0.000 0.904 33 L HN 0.107 nan 8.230 nan 0.000 0.435 34 R N -0.017 120.380 120.500 -0.171 0.000 2.081 34 R HA -0.229 4.109 4.340 -0.003 0.000 0.235 34 R C 2.410 178.641 176.300 -0.115 0.000 1.131 34 R CA 1.712 57.742 56.100 -0.117 0.000 0.960 34 R CB -0.381 29.883 30.300 -0.061 0.000 0.856 34 R HN 0.233 nan 8.270 nan 0.000 0.436 35 F N 1.029 120.836 119.950 -0.239 0.000 2.095 35 F HA -0.250 4.275 4.527 -0.003 0.000 0.298 35 F C 1.881 177.533 175.800 -0.247 0.000 1.104 35 F CA 1.503 59.380 58.000 -0.204 0.000 1.232 35 F CB -0.510 38.369 39.000 -0.203 0.000 0.987 35 F HN 0.107 nan 8.300 nan 0.000 0.475 36 L N 1.353 122.360 121.223 -0.361 0.000 2.042 36 L HA -0.223 4.115 4.340 -0.003 0.000 0.210 36 L C 2.488 179.150 176.870 -0.346 0.000 1.076 36 L CA 2.269 56.862 54.840 -0.410 0.000 0.749 36 L CB -1.171 40.599 42.059 -0.481 0.000 0.893 36 L HN 0.323 nan 8.230 nan 0.000 0.432 37 K N -0.864 119.366 120.400 -0.283 0.000 2.057 37 K HA -0.169 4.149 4.320 -0.003 0.000 0.206 37 K C 1.844 178.329 176.600 -0.192 0.000 1.050 37 K CA 1.426 57.586 56.287 -0.212 0.000 0.935 37 K CB -0.090 32.310 32.500 -0.166 0.000 0.715 37 K HN 0.407 nan 8.250 nan 0.000 0.439 38 E N 0.206 120.271 120.200 -0.226 0.000 2.153 38 E HA -0.161 4.187 4.350 -0.003 0.000 0.194 38 E C 1.724 178.199 176.600 -0.208 0.000 0.988 38 E CA 1.127 57.409 56.400 -0.196 0.000 0.811 38 E CB -0.075 29.504 29.700 -0.201 0.000 0.746 38 E HN 0.431 nan 8.360 nan 0.000 0.466 39 A N 0.217 122.848 122.820 -0.316 0.000 2.238 39 A HA 0.256 4.575 4.320 -0.003 0.000 0.208 39 A C 1.744 179.386 177.584 0.096 0.000 1.177 39 A CA 1.008 52.945 52.037 -0.166 0.000 0.804 39 A CB -0.254 18.577 19.000 -0.282 0.000 0.823 39 A HN 0.299 nan 8.150 nan 0.000 0.482 40 G N -1.781 107.016 108.800 -0.004 0.000 2.159 40 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.256 40 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.256 40 G C 0.682 175.538 174.900 -0.074 0.000 0.977 40 G CA 0.322 45.456 45.100 0.056 0.000 0.652 40 G HN 1.402 nan 8.290 nan 0.000 0.531 41 G N -0.991 107.569 108.800 -0.400 0.000 2.467 41 G HA2 0.531 4.489 3.960 -0.003 0.000 0.257 41 G HA3 0.531 4.489 3.960 -0.003 0.000 0.257 41 G C 0.590 175.188 174.900 -0.504 0.000 1.227 41 G CA -0.355 44.119 45.100 -1.043 0.000 0.835 41 G HN 0.375 nan 8.290 nan 0.000 0.556 42 R N 0.141 120.389 120.500 -0.419 0.000 2.535 42 R HA 0.186 4.524 4.340 -0.003 0.000 0.323 42 R C -0.926 175.059 176.300 -0.525 0.000 0.979 42 R CA -0.018 55.871 56.100 -0.353 0.000 1.120 42 R CB 0.685 30.817 30.300 -0.279 0.000 1.306 42 R HN 0.569 nan 8.270 nan 0.000 0.540 43 Y N -1.075 119.142 120.300 -0.139 0.000 2.504 43 Y HA 0.317 4.865 4.550 -0.003 0.000 0.344 43 Y C -1.034 174.980 175.900 0.190 0.000 1.023 43 Y CA -1.322 56.793 58.100 0.026 0.000 1.020 43 Y CB 1.626 40.081 38.460 -0.008 0.000 1.282 43 Y HN -0.024 nan 8.280 nan 0.000 0.454 44 W N 5.042 126.479 121.300 0.229 0.000 2.647 44 W HA 0.568 5.226 4.660 -0.003 0.000 0.328 44 W C -1.513 175.186 176.519 0.299 0.000 1.018 44 W CA -1.255 56.261 57.345 0.285 0.000 1.245 44 W CB 1.517 31.163 29.460 0.309 0.000 1.356 44 W HN 0.556 nan 8.180 nan 0.000 0.443 45 Q N 4.926 124.856 119.800 0.217 0.000 2.282 45 Q HA 0.664 5.002 4.340 -0.003 0.000 0.260 45 Q C -0.817 175.084 176.000 -0.165 0.000 0.964 45 Q CA -0.595 55.209 55.803 0.002 0.000 0.880 45 Q CB 1.921 30.746 28.738 0.145 0.000 1.286 45 Q HN 0.485 nan 8.270 nan 0.000 0.445 46 V N 1.144 120.894 119.914 -0.274 0.000 3.126 46 V HA 0.637 4.755 4.120 -0.003 0.000 0.314 46 V C -0.549 175.457 176.094 -0.145 0.000 1.138 46 V CA -1.075 61.126 62.300 -0.166 0.000 1.034 46 V CB 1.431 33.078 31.823 -0.292 0.000 1.075 46 V HN 0.795 nan 8.190 nan 0.000 0.442 47 L N 0.220 121.409 121.223 -0.057 0.000 2.472 47 L HA 0.574 4.913 4.340 -0.003 0.000 0.256 47 L C -2.257 174.380 176.870 -0.389 0.000 1.111 47 L CA -2.049 52.538 54.840 -0.421 0.000 0.800 47 L CB 0.655 42.207 42.059 -0.845 0.000 1.286 47 L HN 0.394 nan 8.230 nan 0.000 0.479 48 P HA -0.031 nan 4.420 nan 0.000 0.264 48 P C -0.032 177.098 177.300 -0.283 0.000 1.179 48 P CA 0.539 63.339 63.100 -0.500 0.000 0.763 48 P CB 0.316 31.580 31.700 -0.726 0.000 0.806 49 L N 1.705 122.794 121.223 -0.223 0.000 2.741 49 L HA 0.288 4.626 4.340 -0.003 0.000 0.237 49 L C 1.361 178.006 176.870 -0.375 0.000 1.178 49 L CA -0.177 54.534 54.840 -0.215 0.000 0.973 49 L CB -0.197 41.728 42.059 -0.224 0.000 1.255 49 L HN 0.455 nan 8.230 nan 0.000 0.498 50 G N 0.659 109.244 108.800 -0.358 0.000 2.557 50 G HA2 0.380 4.339 3.960 -0.003 0.000 0.292 50 G HA3 0.380 4.339 3.960 -0.003 0.000 0.292 50 G C -2.565 172.176 174.900 -0.265 0.000 1.237 50 G CA -1.074 43.797 45.100 -0.381 0.000 0.978 50 G HN -0.133 nan 8.290 nan 0.000 0.498 51 P HA 0.160 nan 4.420 nan 0.000 0.271 51 P C 0.135 177.436 177.300 0.001 0.000 1.216 51 P CA 0.125 63.240 63.100 0.025 0.000 0.771 51 P CB 0.914 32.787 31.700 0.289 0.000 0.864 52 T N 0.347 114.906 114.554 0.008 0.000 2.944 52 T HA 0.743 5.091 4.350 -0.003 0.000 0.284 52 T C 0.510 175.182 174.700 -0.047 0.000 1.010 52 T CA -0.631 61.398 62.100 -0.118 0.000 1.025 52 T CB 1.739 70.545 68.868 -0.102 0.000 1.079 52 T HN 0.469 nan 8.240 nan 0.000 0.516 53 G N -0.555 108.091 108.800 -0.257 0.000 3.257 53 G HA2 0.459 4.417 3.960 -0.003 0.000 0.205 53 G HA3 0.459 4.417 3.960 -0.003 0.000 0.205 53 G C -1.255 173.687 174.900 0.070 0.000 1.234 53 G CA -1.069 43.997 45.100 -0.057 0.000 0.918 53 G HN 0.809 nan 8.290 nan 0.000 0.602 54 Y N 1.067 121.388 120.300 0.036 0.000 2.729 54 Y HA 0.325 4.874 4.550 -0.003 0.000 0.331 54 Y C 1.333 177.237 175.900 0.007 0.000 1.208 54 Y CA 1.545 59.668 58.100 0.037 0.000 1.521 54 Y CB 0.372 38.858 38.460 0.045 0.000 1.233 54 Y HN 1.275 nan 8.280 nan 0.000 0.539 55 G N 3.676 112.116 108.800 -0.599 0.000 2.259 55 G HA2 -0.266 3.693 3.960 -0.003 0.000 0.217 55 G HA3 -0.266 3.693 3.960 -0.003 0.000 0.217 55 G C 0.199 174.978 174.900 -0.202 0.000 1.001 55 G CA -0.056 44.775 45.100 -0.447 0.000 0.627 55 G HN 0.825 nan 8.290 nan 0.000 0.501 56 D N -0.253 119.987 120.400 -0.266 0.000 2.911 56 D HA -0.176 4.463 4.640 -0.003 0.000 0.227 56 D C 0.436 176.449 176.300 -0.477 0.000 1.164 56 D CA 1.631 55.372 54.000 -0.431 0.000 0.782 56 D CB -1.643 38.532 40.800 -1.040 0.000 1.094 56 D HN 0.964 nan 8.370 nan 0.000 0.425 57 S N 0.935 116.345 115.700 -0.482 0.000 2.489 57 S HA 0.331 4.800 4.470 -0.003 0.000 0.277 57 S C -1.094 173.049 174.600 -0.762 0.000 1.230 57 S CA -1.329 56.328 58.200 -0.904 0.000 1.053 57 S CB 1.583 64.554 63.200 -0.381 0.000 0.955 57 S HN -0.108 nan 8.310 nan 0.000 0.488 58 P HA -0.036 nan 4.420 nan 0.000 0.234 58 P C 0.084 176.906 177.300 -0.796 0.000 1.167 58 P CA 0.858 63.483 63.100 -0.791 0.000 0.763 58 P CB -0.105 31.045 31.700 -0.916 0.000 0.835 59 Y N -0.456 119.520 120.300 -0.540 0.000 2.457 59 Y HA 0.181 4.729 4.550 -0.003 0.000 0.263 59 Y C 1.253 177.008 175.900 -0.242 0.000 1.164 59 Y CA 0.252 58.153 58.100 -0.333 0.000 1.274 59 Y CB 0.216 38.516 38.460 -0.267 0.000 1.097 59 Y HN -0.085 nan 8.280 nan 0.000 0.523 60 Q N 0.174 119.862 119.800 -0.186 0.000 3.075 60 Q HA 0.224 4.563 4.340 -0.003 0.000 0.318 60 Q C -0.546 175.285 176.000 -0.282 0.000 0.907 60 Q CA -0.180 55.521 55.803 -0.169 0.000 0.882 60 Q CB 1.566 30.224 28.738 -0.133 0.000 1.386 60 Q HN 0.087 nan 8.270 nan 0.000 0.408 61 S N -0.322 115.220 115.700 -0.263 0.000 2.610 61 S HA 0.431 4.900 4.470 -0.003 0.000 0.273 61 S C 0.724 175.203 174.600 -0.201 0.000 1.274 61 S CA -0.378 57.654 58.200 -0.279 0.000 1.023 61 S CB 0.441 63.500 63.200 -0.236 0.000 0.962 61 S HN 0.465 nan 8.310 nan 0.000 0.523 62 F N 1.974 121.942 119.950 0.030 0.000 2.699 62 F HA 0.164 4.689 4.527 -0.003 0.000 0.298 62 F C 1.444 177.208 175.800 -0.060 0.000 1.154 62 F CA 0.156 58.201 58.000 0.075 0.000 1.457 62 F CB 0.359 39.541 39.000 0.303 0.000 1.106 62 F HN 0.417 nan 8.300 nan 0.000 0.585 63 S N -1.268 114.473 115.700 0.067 0.000 2.535 63 S HA 0.616 5.084 4.470 -0.003 0.000 0.272 63 S C 0.140 174.606 174.600 -0.222 0.000 1.149 63 S CA -0.298 57.876 58.200 -0.044 0.000 0.888 63 S CB 1.400 64.600 63.200 0.000 0.000 1.110 63 S HN 0.007 nan 8.310 nan 0.000 0.463 64 A N 2.769 125.386 122.820 -0.337 0.000 2.251 64 A HA 0.411 4.729 4.320 -0.003 0.000 0.209 64 A C 0.570 177.631 177.584 -0.872 0.000 1.187 64 A CA 0.324 52.010 52.037 -0.585 0.000 0.823 64 A CB -0.496 18.112 19.000 -0.652 0.000 0.846 64 A HN 0.745 nan 8.150 nan 0.000 0.486 65 F N -0.995 118.683 119.950 -0.454 0.000 2.699 65 F HA 0.426 4.951 4.527 -0.004 0.000 0.295 65 F C 1.538 176.711 175.800 -1.045 0.000 1.052 65 F CA 0.082 57.569 58.000 -0.855 0.000 1.239 65 F CB 0.023 38.186 39.000 -1.396 0.000 1.018 65 F HN 0.129 nan 8.300 nan 0.000 0.627 66 A N 1.009 123.362 122.820 -0.778 0.000 2.386 66 A HA 0.517 4.835 4.320 -0.003 0.000 0.246 66 A C 0.617 177.846 177.584 -0.592 0.000 1.089 66 A CA 0.407 52.072 52.037 -0.619 0.000 0.790 66 A CB -0.425 17.964 19.000 -1.018 0.000 1.042 66 A HN 0.265 nan 8.150 nan 0.000 0.497 67 G N 0.095 108.377 108.800 -0.863 0.000 2.437 67 G HA2 0.418 4.377 3.960 -0.003 0.000 0.319 67 G HA3 0.418 4.377 3.960 -0.003 0.000 0.319 67 G C -0.203 174.000 174.900 -1.162 0.000 1.158 67 G CA -0.604 43.311 45.100 -1.975 0.000 0.899 67 G HN 0.726 nan 8.290 nan 0.000 0.502 68 N N 1.236 119.360 118.700 -0.960 0.000 2.405 68 N HA 0.199 4.937 4.740 -0.003 0.000 0.260 68 N C -1.541 173.854 175.510 -0.192 0.000 1.152 68 N CA -1.989 50.850 53.050 -0.352 0.000 0.948 68 N CB 1.773 40.171 38.487 -0.149 0.000 1.111 68 N HN -0.015 nan 8.380 nan 0.000 0.485 69 P HA -0.082 nan 4.420 nan 0.000 0.222 69 P C 0.603 177.798 177.300 -0.176 0.000 1.147 69 P CA 1.141 64.091 63.100 -0.250 0.000 0.790 69 P CB -0.018 31.392 31.700 -0.484 0.000 0.780 70 Y N -1.201 119.026 120.300 -0.121 0.000 2.497 70 Y HA -0.046 4.503 4.550 -0.003 0.000 0.292 70 Y C 1.841 177.730 175.900 -0.020 0.000 1.137 70 Y CA -0.006 58.052 58.100 -0.070 0.000 1.285 70 Y CB -0.337 38.157 38.460 0.056 0.000 0.991 70 Y HN -0.070 nan 8.280 nan 0.000 0.556 71 L N -0.037 121.284 121.223 0.163 0.000 2.567 71 L HA 0.078 4.417 4.340 -0.003 0.000 0.225 71 L C 0.406 177.314 176.870 0.064 0.000 1.119 71 L CA -0.025 54.893 54.840 0.129 0.000 0.871 71 L CB 0.042 42.216 42.059 0.192 0.000 1.036 71 L HN 0.125 nan 8.230 nan 0.000 0.459 72 I N 0.914 121.505 120.570 0.035 0.000 2.598 72 I HA -0.074 4.095 4.170 -0.003 0.000 0.284 72 I C 0.440 176.536 176.117 -0.035 0.000 1.140 72 I CA 0.142 61.414 61.300 -0.047 0.000 1.420 72 I CB 0.272 38.211 38.000 -0.101 0.000 1.387 72 I HN -0.012 nan 8.210 nan 0.000 0.553 73 D N 6.968 127.335 120.400 -0.055 0.000 2.339 73 D HA 0.119 4.758 4.640 -0.003 0.000 0.256 73 D C 0.728 177.014 176.300 -0.023 0.000 1.214 73 D CA 0.046 54.035 54.000 -0.019 0.000 0.877 73 D CB 1.169 41.948 40.800 -0.035 0.000 1.111 73 D HN 0.422 nan 8.370 nan 0.000 0.478 74 L N 3.761 124.993 121.223 0.015 0.000 2.418 74 L HA 0.070 4.408 4.340 -0.003 0.000 0.218 74 L C 2.438 179.310 176.870 0.004 0.000 1.125 74 L CA 0.087 54.925 54.840 -0.003 0.000 0.835 74 L CB -0.003 42.041 42.059 -0.025 0.000 0.953 74 L HN 0.279 nan 8.230 nan 0.000 0.454 75 R N 0.483 121.005 120.500 0.037 0.000 2.091 75 R HA -0.169 4.169 4.340 -0.003 0.000 0.238 75 R C -0.354 175.944 176.300 -0.004 0.000 1.136 75 R CA 1.623 57.750 56.100 0.045 0.000 0.959 75 R CB -1.473 28.879 30.300 0.087 0.000 0.856 75 R HN 0.304 nan 8.270 nan 0.000 0.437 76 P HA -0.140 nan 4.420 nan 0.000 0.216 76 P C 0.975 178.219 177.300 -0.095 0.000 1.150 76 P CA 1.233 64.297 63.100 -0.061 0.000 0.837 76 P CB 0.015 31.670 31.700 -0.075 0.000 0.786 77 L N -1.342 119.845 121.223 -0.060 0.000 2.109 77 L HA -0.076 4.262 4.340 -0.003 0.000 0.207 77 L C 2.459 179.262 176.870 -0.112 0.000 1.086 77 L CA 1.345 56.149 54.840 -0.060 0.000 0.760 77 L CB -1.218 40.930 42.059 0.149 0.000 0.910 77 L HN -0.064 nan 8.230 nan 0.000 0.437 78 A N 0.018 122.815 122.820 -0.039 0.000 1.969 78 A HA -0.199 4.120 4.320 -0.003 0.000 0.218 78 A C 2.166 179.717 177.584 -0.055 0.000 1.169 78 A CA 1.435 53.460 52.037 -0.020 0.000 0.635 78 A CB -0.370 18.634 19.000 0.005 0.000 0.810 78 A HN 0.422 nan 8.150 nan 0.000 0.445 79 E N -0.628 119.526 120.200 -0.077 0.000 2.153 79 E HA -0.123 4.226 4.350 -0.003 0.000 0.194 79 E C 1.794 178.315 176.600 -0.132 0.000 0.988 79 E CA 0.746 57.100 56.400 -0.077 0.000 0.811 79 E CB -0.066 29.595 29.700 -0.064 0.000 0.746 79 E HN 0.499 nan 8.360 nan 0.000 0.466 80 R N -0.669 119.667 120.500 -0.274 0.000 2.320 80 R HA 0.077 4.415 4.340 -0.003 0.000 0.211 80 R C 0.859 176.976 176.300 -0.304 0.000 0.931 80 R CA 0.451 56.307 56.100 -0.406 0.000 1.071 80 R CB 0.547 30.319 30.300 -0.880 0.000 1.025 80 R HN 0.205 nan 8.270 nan 0.000 0.495 81 G N 0.439 109.155 108.800 -0.141 0.000 2.153 81 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.252 81 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.252 81 G C 0.463 175.469 174.900 0.177 0.000 0.994 81 G CA 0.244 45.356 45.100 0.020 0.000 0.698 81 G HN 0.549 nan 8.290 nan 0.000 0.521 82 Y N -1.477 118.865 120.300 0.071 0.000 2.561 82 Y HA 0.395 4.943 4.550 -0.003 0.000 0.291 82 Y C 1.510 177.449 175.900 0.064 0.000 1.141 82 Y CA 0.507 58.659 58.100 0.088 0.000 1.303 82 Y CB 0.522 39.083 38.460 0.168 0.000 1.015 82 Y HN 0.371 nan 8.280 nan 0.000 0.547 83 V N -0.187 119.837 119.914 0.183 0.000 3.236 83 V HA 0.386 4.504 4.120 -0.003 0.000 0.287 83 V C -1.701 174.428 176.094 0.058 0.000 1.491 83 V CA -1.078 61.282 62.300 0.100 0.000 1.037 83 V CB 2.470 34.341 31.823 0.081 0.000 1.160 83 V HN -0.005 nan 8.190 nan 0.000 0.453 84 R N 3.697 124.225 120.500 0.046 0.000 2.445 84 R HA 0.738 5.077 4.340 -0.003 0.000 0.308 84 R C -1.274 175.072 176.300 0.076 0.000 0.961 84 R CA -0.578 55.556 56.100 0.058 0.000 0.862 84 R CB 1.726 32.066 30.300 0.066 0.000 1.144 84 R HN 0.599 nan 8.270 nan 0.000 0.447 85 L N 2.978 124.248 121.223 0.078 0.000 2.317 85 L HA 0.495 4.834 4.340 -0.003 0.000 0.281 85 L C -0.418 176.587 176.870 0.225 0.000 1.024 85 L CA -0.738 54.172 54.840 0.118 0.000 0.810 85 L CB 1.701 43.573 42.059 -0.312 0.000 1.240 85 L HN 0.544 nan 8.230 nan 0.000 0.427 86 E N 0.926 121.350 120.200 0.373 0.000 2.367 86 E HA 0.325 4.674 4.350 -0.003 0.000 0.273 86 E C -1.442 175.175 176.600 0.028 0.000 0.903 86 E CA -0.803 55.741 56.400 0.240 0.000 0.764 86 E CB 2.163 31.987 29.700 0.207 0.000 1.252 86 E HN 0.281 nan 8.360 nan 0.000 0.446 87 D N 2.305 122.704 120.400 -0.001 0.000 2.467 87 D HA 0.235 4.874 4.640 -0.003 0.000 0.220 87 D C -1.713 174.378 176.300 -0.349 0.000 1.103 87 D CA -2.187 51.703 54.000 -0.184 0.000 0.886 87 D CB 1.097 41.863 40.800 -0.056 0.000 1.025 87 D HN 0.140 nan 8.370 nan 0.000 0.514 88 P HA 0.115 nan 4.420 nan 0.000 0.236 88 P C 0.306 177.354 177.300 -0.420 0.000 1.172 88 P CA 0.444 63.264 63.100 -0.467 0.000 0.759 88 P CB 0.245 31.616 31.700 -0.548 0.000 0.843 89 G N -1.456 107.058 108.800 -0.476 0.000 2.797 89 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.192 89 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.192 89 G C -0.319 174.416 174.900 -0.274 0.000 1.101 89 G CA -0.997 43.935 45.100 -0.280 0.000 0.930 89 G HN 0.127 nan 8.290 nan 0.000 0.512 90 F N 1.479 121.342 119.950 -0.145 0.000 2.471 90 F HA 0.392 4.917 4.527 -0.003 0.000 0.353 90 F C -0.053 175.681 175.800 -0.110 0.000 1.113 90 F CA -1.185 56.733 58.000 -0.138 0.000 1.262 90 F CB 0.600 39.489 39.000 -0.186 0.000 1.146 90 F HN 0.134 nan 8.300 nan 0.000 0.578 91 P HA 0.009 nan 4.420 nan 0.000 0.274 91 P C -1.251 176.053 177.300 0.006 0.000 1.260 91 P CA -0.407 62.718 63.100 0.040 0.000 0.793 91 P CB 0.649 32.373 31.700 0.040 0.000 1.048 92 Q N -0.604 119.190 119.800 -0.010 0.000 2.257 92 Q HA 0.377 4.715 4.340 -0.003 0.000 0.255 92 Q C 1.045 177.018 176.000 -0.045 0.000 0.920 92 Q CA 0.055 55.837 55.803 -0.035 0.000 0.927 92 Q CB 1.191 29.916 28.738 -0.021 0.000 1.229 92 Q HN 0.904 nan 8.270 nan 0.000 0.433 93 G N 2.761 111.501 108.800 -0.101 0.000 2.203 93 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.263 93 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.263 93 G C 0.035 174.849 174.900 -0.142 0.000 1.012 93 G CA 1.084 46.095 45.100 -0.149 0.000 0.749 93 G HN 0.697 nan 8.290 nan 0.000 0.512 94 R N -2.449 117.981 120.500 -0.118 0.000 2.664 94 R HA 0.565 4.903 4.340 -0.003 0.000 0.260 94 R C -1.258 174.979 176.300 -0.105 0.000 1.062 94 R CA -1.033 55.026 56.100 -0.067 0.000 0.902 94 R CB 0.935 31.253 30.300 0.030 0.000 1.258 94 R HN 0.294 nan 8.270 nan 0.000 0.465 95 V N 2.108 121.940 119.914 -0.136 0.000 2.432 95 V HA 0.188 4.306 4.120 -0.003 0.000 0.275 95 V C -0.297 175.647 176.094 -0.249 0.000 1.043 95 V CA -0.192 61.921 62.300 -0.312 0.000 0.925 95 V CB 1.311 32.771 31.823 -0.605 0.000 0.985 95 V HN 0.729 nan 8.190 nan 0.000 0.466 96 D N 3.624 123.926 120.400 -0.163 0.000 2.473 96 D HA 0.208 4.847 4.640 -0.003 0.000 0.226 96 D C 0.528 176.825 176.300 -0.005 0.000 1.089 96 D CA -0.328 53.679 54.000 0.011 0.000 0.883 96 D CB 0.692 41.559 40.800 0.112 0.000 1.029 96 D HN 0.510 nan 8.370 nan 0.000 0.517 97 Y N 1.931 122.313 120.300 0.136 0.000 2.403 97 Y HA -0.056 4.492 4.550 -0.003 0.000 0.291 97 Y C 2.400 178.440 175.900 0.234 0.000 1.143 97 Y CA 1.197 59.383 58.100 0.143 0.000 1.257 97 Y CB 0.204 38.773 38.460 0.182 0.000 0.984 97 Y HN 0.523 nan 8.280 nan 0.000 0.550 98 G N -0.110 108.903 108.800 0.355 0.000 2.414 98 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.215 98 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.215 98 G C 1.589 176.706 174.900 0.363 0.000 1.188 98 G CA 0.822 46.129 45.100 0.344 0.000 0.783 98 G HN 0.331 nan 8.290 nan 0.000 0.537 99 L N -0.328 121.071 121.223 0.293 0.000 2.093 99 L HA 0.007 4.345 4.340 -0.003 0.000 0.208 99 L C 2.703 179.847 176.870 0.457 0.000 1.085 99 L CA 0.258 55.277 54.840 0.300 0.000 0.755 99 L CB -0.378 41.795 42.059 0.191 0.000 0.904 99 L HN 0.182 nan 8.230 nan 0.000 0.435 100 L N -0.781 120.675 121.223 0.389 0.000 2.017 100 L HA -0.273 4.065 4.340 -0.003 0.000 0.208 100 L C 2.490 179.540 176.870 0.300 0.000 1.073 100 L CA 1.806 56.794 54.840 0.247 0.000 0.745 100 L CB -0.715 41.208 42.059 -0.228 0.000 0.894 100 L HN 0.182 nan 8.230 nan 0.000 0.432 101 Y N 0.011 120.510 120.300 0.331 0.000 2.145 101 Y HA -0.237 4.311 4.550 -0.003 0.000 0.286 101 Y C 2.321 178.543 175.900 0.538 0.000 1.145 101 Y CA 1.914 60.369 58.100 0.592 0.000 1.148 101 Y CB -0.488 38.309 38.460 0.562 0.000 0.981 101 Y HN 0.220 nan 8.280 nan 0.000 0.507 102 A N -1.349 121.738 122.820 0.445 0.000 2.015 102 A HA -0.173 4.146 4.320 -0.003 0.000 0.219 102 A C 1.906 179.662 177.584 0.286 0.000 1.163 102 A CA 1.485 53.716 52.037 0.322 0.000 0.646 102 A CB -1.160 18.048 19.000 0.346 0.000 0.806 102 A HN 0.827 nan 8.150 nan 0.000 0.448 103 W N -0.255 121.149 121.300 0.174 0.000 2.798 103 W HA 0.206 4.864 4.660 -0.003 0.000 0.260 103 W C 1.987 178.597 176.519 0.152 0.000 1.165 103 W CA 0.969 58.413 57.345 0.165 0.000 1.501 103 W CB 0.207 29.809 29.460 0.238 0.000 1.023 103 W HN 0.134 nan 8.180 nan 0.000 0.615 104 K N -0.383 120.114 120.400 0.161 0.000 2.057 104 K HA -0.161 4.157 4.320 -0.003 0.000 0.206 104 K C 1.805 178.294 176.600 -0.185 0.000 1.050 104 K CA 2.203 58.403 56.287 -0.146 0.000 0.935 104 K CB -0.717 31.828 32.500 0.075 0.000 0.715 104 K HN 0.179 nan 8.250 nan 0.000 0.439 105 W N 0.568 121.868 121.300 0.000 0.000 2.338 105 W HA -0.082 4.576 4.660 -0.003 0.000 0.304 105 W C -0.852 175.616 176.519 -0.085 0.000 1.212 105 W CA 0.604 57.949 57.345 -0.001 0.000 1.264 105 W CB -0.935 28.466 29.460 -0.098 0.000 1.142 105 W HN 0.229 nan 8.180 nan 0.000 0.512 106 P HA -0.138 nan 4.420 nan 0.000 0.217 106 P C 1.468 178.684 177.300 -0.141 0.000 1.151 106 P CA 2.609 65.671 63.100 -0.063 0.000 0.828 106 P CB -0.306 31.344 31.700 -0.084 0.000 0.788 107 A N -0.562 122.065 122.820 -0.321 0.000 1.902 107 A HA -0.162 4.156 4.320 -0.003 0.000 0.217 107 A C 2.185 179.695 177.584 -0.123 0.000 1.181 107 A CA 1.389 53.195 52.037 -0.384 0.000 0.623 107 A CB -1.647 16.828 19.000 -0.875 0.000 0.818 107 A HN 0.107 nan 8.150 nan 0.000 0.443 108 L N -0.916 120.295 121.223 -0.020 0.000 2.083 108 L HA -0.189 4.149 4.340 -0.003 0.000 0.209 108 L C 2.613 179.742 176.870 0.430 0.000 1.083 108 L CA 1.823 56.796 54.840 0.222 0.000 0.752 108 L CB -0.302 41.903 42.059 0.245 0.000 0.899 108 L HN 0.392 nan 8.230 nan 0.000 0.433 109 K N 0.602 121.120 120.400 0.197 0.000 2.057 109 K HA -0.236 4.082 4.320 -0.003 0.000 0.207 109 K C 1.973 178.593 176.600 0.034 0.000 1.049 109 K CA 1.586 57.797 56.287 -0.127 0.000 0.931 109 K CB -0.131 32.141 32.500 -0.381 0.000 0.714 109 K HN 0.244 nan 8.250 nan 0.000 0.440 110 E N -0.533 119.678 120.200 0.018 0.000 2.077 110 E HA -0.196 4.152 4.350 -0.003 0.000 0.193 110 E C 1.750 178.402 176.600 0.087 0.000 0.989 110 E CA 1.167 57.578 56.400 0.018 0.000 0.800 110 E CB -0.232 29.458 29.700 -0.016 0.000 0.746 110 E HN 0.416 nan 8.360 nan 0.000 0.452 111 A N 0.474 123.396 122.820 0.170 0.000 1.933 111 A HA -0.178 4.140 4.320 -0.003 0.000 0.218 111 A C 1.951 179.685 177.584 0.251 0.000 1.175 111 A CA 1.199 53.406 52.037 0.283 0.000 0.628 111 A CB -0.779 18.438 19.000 0.361 0.000 0.814 111 A HN 0.502 nan 8.150 nan 0.000 0.444 112 F N 0.740 120.691 119.950 0.002 0.000 2.186 112 F HA -0.082 4.444 4.527 -0.003 0.000 0.299 112 F C 2.328 177.973 175.800 -0.258 0.000 1.090 112 F CA 1.396 59.140 58.000 -0.426 0.000 1.307 112 F CB -0.296 38.551 39.000 -0.254 0.000 1.019 112 F HN 0.126 nan 8.300 nan 0.000 0.489 113 R N -0.163 120.221 120.500 -0.193 0.000 2.073 113 R HA -0.102 4.236 4.340 -0.003 0.000 0.234 113 R C 2.569 178.716 176.300 -0.256 0.000 1.134 113 R CA 1.246 57.184 56.100 -0.270 0.000 0.952 113 R CB -1.360 28.862 30.300 -0.130 0.000 0.850 113 R HN 0.450 nan 8.270 nan 0.000 0.433 114 G N 0.749 109.462 108.800 -0.144 0.000 2.440 114 G HA2 -0.308 3.650 3.960 -0.003 0.000 0.218 114 G HA3 -0.308 3.650 3.960 -0.003 0.000 0.218 114 G C 1.249 175.872 174.900 -0.463 0.000 1.154 114 G CA 0.501 45.522 45.100 -0.132 0.000 0.767 114 G HN 0.257 nan 8.290 nan 0.000 0.552 115 F N 1.631 121.094 119.950 -0.811 0.000 2.075 115 F HA 0.020 4.545 4.527 -0.003 0.000 0.297 115 F C 2.681 178.119 175.800 -0.603 0.000 1.113 115 F CA 1.822 59.233 58.000 -0.982 0.000 1.218 115 F CB -0.074 38.516 39.000 -0.683 0.000 0.984 115 F HN -0.004 nan 8.300 nan 0.000 0.472 116 K N -0.091 120.006 120.400 -0.504 0.000 2.281 116 K HA -0.229 4.089 4.320 -0.003 0.000 0.203 116 K C 1.982 178.361 176.600 -0.369 0.000 1.046 116 K CA 1.589 57.601 56.287 -0.459 0.000 0.938 116 K CB -0.256 31.921 32.500 -0.540 0.000 0.737 116 K HN 0.523 nan 8.250 nan 0.000 0.458 117 E N 0.955 120.946 120.200 -0.347 0.000 2.099 117 E HA -0.050 4.299 4.350 -0.003 0.000 0.191 117 E C 1.207 177.684 176.600 -0.206 0.000 0.962 117 E CA 0.553 56.815 56.400 -0.229 0.000 0.826 117 E CB 0.415 30.018 29.700 -0.163 0.000 0.788 117 E HN 0.121 nan 8.360 nan 0.000 0.461 118 K N 0.153 120.410 120.400 -0.239 0.000 2.354 118 K HA 0.296 4.615 4.320 -0.003 0.000 0.194 118 K C 0.348 176.864 176.600 -0.140 0.000 1.038 118 K CA 0.089 56.314 56.287 -0.104 0.000 1.052 118 K CB 1.115 33.683 32.500 0.112 0.000 0.861 118 K HN 0.004 nan 8.250 nan 0.000 0.535 119 A N 2.321 124.857 122.820 -0.472 0.000 2.531 119 A HA 0.102 4.420 4.320 -0.003 0.000 0.236 119 A C 0.536 177.967 177.584 -0.254 0.000 1.062 119 A CA -0.063 51.654 52.037 -0.533 0.000 0.760 119 A CB 0.085 18.080 19.000 -1.675 0.000 0.995 119 A HN 0.315 nan 8.150 nan 0.000 0.501 120 S N 2.191 117.846 115.700 -0.075 0.000 2.617 120 S HA 0.404 4.873 4.470 -0.003 0.000 0.269 120 S C -2.025 172.569 174.600 -0.010 0.000 1.292 120 S CA -0.958 57.234 58.200 -0.014 0.000 1.010 120 S CB 0.788 64.020 63.200 0.054 0.000 0.944 120 S HN 0.436 nan 8.310 nan 0.000 0.536 121 P HA -0.121 nan 4.420 nan 0.000 0.218 121 P C 0.859 178.195 177.300 0.060 0.000 1.146 121 P CA 1.293 64.403 63.100 0.017 0.000 0.813 121 P CB 0.019 31.728 31.700 0.014 0.000 0.778 122 E N -0.060 120.191 120.200 0.085 0.000 2.015 122 E HA -0.181 4.168 4.350 -0.003 0.000 0.191 122 E C 1.947 178.660 176.600 0.189 0.000 0.991 122 E CA 1.246 57.720 56.400 0.123 0.000 0.802 122 E CB -0.978 28.799 29.700 0.128 0.000 0.759 122 E HN 0.393 nan 8.360 nan 0.000 0.447 123 E N 0.678 121.027 120.200 0.248 0.000 2.085 123 E HA -0.201 4.147 4.350 -0.003 0.000 0.194 123 E C 2.197 179.024 176.600 0.377 0.000 0.994 123 E CA 1.050 57.714 56.400 0.440 0.000 0.801 123 E CB -0.201 29.840 29.700 0.569 0.000 0.743 123 E HN 0.161 nan 8.360 nan 0.000 0.453 124 R N 0.591 121.234 120.500 0.237 0.000 2.096 124 R HA -0.162 4.177 4.340 -0.003 0.000 0.235 124 R C 2.338 178.725 176.300 0.145 0.000 1.127 124 R CA 1.383 57.620 56.100 0.228 0.000 0.968 124 R CB -0.137 30.214 30.300 0.085 0.000 0.861 124 R HN 0.044 nan 8.270 nan 0.000 0.440 125 E N 0.870 121.131 120.200 0.102 0.000 2.152 125 E HA -0.054 4.295 4.350 -0.003 0.000 0.192 125 E C 1.754 178.389 176.600 0.058 0.000 0.983 125 E CA 1.353 57.789 56.400 0.060 0.000 0.818 125 E CB -0.089 29.648 29.700 0.063 0.000 0.758 125 E HN 0.297 nan 8.360 nan 0.000 0.467 126 A N 0.245 123.133 122.820 0.114 0.000 1.902 126 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 126 A C 2.146 179.691 177.584 -0.065 0.000 1.181 126 A CA 1.387 53.519 52.037 0.158 0.000 0.623 126 A CB -0.943 18.287 19.000 0.383 0.000 0.818 126 A HN 0.440 nan 8.150 nan 0.000 0.443 127 F N 1.300 120.855 119.950 -0.659 0.000 2.102 127 F HA -0.080 4.445 4.527 -0.003 0.000 0.298 127 F C 2.500 178.091 175.800 -0.349 0.000 1.105 127 F CA 0.963 58.284 58.000 -1.131 0.000 1.239 127 F CB -0.936 37.468 39.000 -0.992 0.000 0.991 127 F HN 0.248 nan 8.300 nan 0.000 0.474 128 A N 0.431 123.069 122.820 -0.303 0.000 1.933 128 A HA -0.015 4.304 4.320 -0.003 0.000 0.218 128 A C 2.475 179.951 177.584 -0.181 0.000 1.175 128 A CA 1.951 53.802 52.037 -0.310 0.000 0.628 128 A CB -1.543 17.358 19.000 -0.166 0.000 0.814 128 A HN 0.510 nan 8.150 nan 0.000 0.444 129 A N -0.978 121.802 122.820 -0.067 0.000 1.902 129 A HA -0.039 4.280 4.320 -0.003 0.000 0.217 129 A C 2.035 179.629 177.584 0.016 0.000 1.181 129 A CA 1.612 53.648 52.037 -0.003 0.000 0.623 129 A CB -0.755 18.286 19.000 0.069 0.000 0.818 129 A HN 0.756 nan 8.150 nan 0.000 0.443 130 F N 1.085 120.997 119.950 -0.064 0.000 2.095 130 F HA -0.219 4.307 4.527 -0.003 0.000 0.298 130 F C 2.355 178.099 175.800 -0.092 0.000 1.104 130 F CA 2.083 60.092 58.000 0.015 0.000 1.232 130 F CB -0.325 38.769 39.000 0.156 0.000 0.987 130 F HN 0.142 nan 8.300 nan 0.000 0.475 131 R N 0.078 120.382 120.500 -0.326 0.000 2.081 131 R HA -0.205 4.133 4.340 -0.003 0.000 0.235 131 R C 2.289 178.334 176.300 -0.425 0.000 1.131 131 R CA 1.732 57.545 56.100 -0.478 0.000 0.960 131 R CB -0.747 29.316 30.300 -0.397 0.000 0.856 131 R HN 0.495 nan 8.270 nan 0.000 0.436 132 E N 1.114 121.145 120.200 -0.282 0.000 2.106 132 E HA -0.207 4.141 4.350 -0.003 0.000 0.192 132 E C 2.179 178.662 176.600 -0.194 0.000 0.984 132 E CA 0.877 57.157 56.400 -0.200 0.000 0.806 132 E CB 0.069 29.696 29.700 -0.122 0.000 0.750 132 E HN 0.186 nan 8.360 nan 0.000 0.458 133 R N 0.251 120.625 120.500 -0.211 0.000 2.066 133 R HA -0.102 4.236 4.340 -0.003 0.000 0.232 133 R C 1.177 177.347 176.300 -0.217 0.000 1.131 133 R CA 1.481 57.497 56.100 -0.140 0.000 0.955 133 R CB 0.101 30.354 30.300 -0.079 0.000 0.851 133 R HN 0.092 nan 8.270 nan 0.000 0.432 134 E N 0.192 120.035 120.200 -0.594 0.000 2.437 134 E HA 0.064 4.412 4.350 -0.003 0.000 0.189 134 E C 1.325 177.210 176.600 -1.192 0.000 1.054 134 E CA 0.443 56.258 56.400 -0.975 0.000 0.874 134 E CB 0.639 29.557 29.700 -1.304 0.000 1.011 134 E HN 0.394 nan 8.360 nan 0.000 0.474 135 A N 2.176 124.607 122.820 -0.648 0.000 1.927 135 A HA -0.200 4.118 4.320 -0.003 0.000 0.220 135 A C 1.986 179.346 177.584 -0.373 0.000 1.185 135 A CA 1.602 53.362 52.037 -0.460 0.000 0.639 135 A CB -1.362 17.505 19.000 -0.222 0.000 0.820 135 A HN 0.621 nan 8.150 nan 0.000 0.451 136 W N -0.545 120.618 121.300 -0.229 0.000 2.359 136 W HA -0.158 4.502 4.660 -0.001 0.000 0.275 136 W C 1.656 178.167 176.519 -0.014 0.000 1.217 136 W CA 1.087 58.375 57.345 -0.096 0.000 1.196 136 W CB -1.142 28.289 29.460 -0.049 0.000 1.129 136 W HN 0.824 nan 8.180 nan 0.000 0.566 137 W N -0.834 120.094 121.300 -0.620 0.000 3.336 137 W HA 0.204 4.862 4.660 -0.003 0.000 0.221 137 W C 1.552 177.936 176.519 -0.225 0.000 1.086 137 W CA -0.117 56.956 57.345 -0.452 0.000 1.457 137 W CB -1.285 27.573 29.460 -1.003 0.000 0.756 137 W HN -0.176 nan 8.180 nan 0.000 0.783 138 L N 2.551 122.907 121.223 -1.445 0.000 2.131 138 L HA -0.049 4.289 4.340 -0.003 0.000 0.210 138 L C 2.433 179.097 176.870 -0.342 0.000 1.092 138 L CA 2.230 56.388 54.840 -1.137 0.000 0.759 138 L CB -0.708 40.527 42.059 -1.373 0.000 0.903 138 L HN -0.041 nan 8.230 nan 0.000 0.435 139 E N -0.662 119.370 120.200 -0.280 0.000 2.077 139 E HA -0.219 4.129 4.350 -0.003 0.000 0.193 139 E C 1.677 178.297 176.600 0.033 0.000 0.989 139 E CA 1.388 57.725 56.400 -0.105 0.000 0.800 139 E CB -0.070 29.566 29.700 -0.107 0.000 0.746 139 E HN 0.560 nan 8.360 nan 0.000 0.452 140 D N -0.211 120.236 120.400 0.078 0.000 2.123 140 D HA -0.144 4.495 4.640 -0.003 0.000 0.200 140 D C 1.730 178.273 176.300 0.405 0.000 0.976 140 D CA 0.786 54.914 54.000 0.214 0.000 0.831 140 D CB -0.316 40.561 40.800 0.128 0.000 0.974 140 D HN 0.182 nan 8.370 nan 0.000 0.469 141 Y N 1.856 122.309 120.300 0.256 0.000 2.114 141 Y HA -0.145 4.404 4.550 -0.003 0.000 0.284 141 Y C 2.263 178.327 175.900 0.273 0.000 1.143 141 Y CA 1.814 60.098 58.100 0.308 0.000 1.135 141 Y CB -0.569 38.147 38.460 0.427 0.000 0.980 141 Y HN -0.064 nan 8.280 nan 0.000 0.499 142 A N 0.205 123.033 122.820 0.013 0.000 1.902 142 A HA -0.185 4.134 4.320 -0.003 0.000 0.217 142 A C 2.188 179.742 177.584 -0.049 0.000 1.181 142 A CA 1.840 53.832 52.037 -0.074 0.000 0.623 142 A CB -1.245 17.815 19.000 0.099 0.000 0.818 142 A HN 0.546 nan 8.150 nan 0.000 0.443 143 L N -1.495 119.779 121.223 0.085 0.000 2.056 143 L HA -0.030 4.308 4.340 -0.003 0.000 0.207 143 L C 2.137 179.037 176.870 0.050 0.000 1.078 143 L CA 2.002 56.910 54.840 0.112 0.000 0.749 143 L CB -1.027 41.179 42.059 0.245 0.000 0.901 143 L HN 0.441 nan 8.230 nan 0.000 0.433 144 F N -0.243 119.714 119.950 0.012 0.000 2.065 144 F HA -0.322 4.204 4.527 -0.002 0.000 0.298 144 F C 2.288 177.924 175.800 -0.274 0.000 1.112 144 F CA 2.148 60.083 58.000 -0.108 0.000 1.212 144 F CB -0.202 38.830 39.000 0.054 0.000 0.975 144 F HN 0.075 nan 8.300 nan 0.000 0.476 145 M N 0.376 119.762 119.600 -0.357 0.000 2.159 145 M HA -0.113 4.365 4.480 -0.003 0.000 0.263 145 M C 2.496 178.469 176.300 -0.546 0.000 1.063 145 M CA 1.547 56.425 55.300 -0.703 0.000 1.110 145 M CB -2.075 29.677 32.600 -1.413 0.000 1.374 145 M HN 0.370 nan 8.290 nan 0.000 0.411 146 A N 0.370 122.984 122.820 -0.344 0.000 1.873 146 A HA -0.091 4.227 4.320 -0.003 0.000 0.215 146 A C 2.296 179.716 177.584 -0.273 0.000 1.186 146 A CA 1.170 53.121 52.037 -0.144 0.000 0.616 146 A CB -0.910 18.074 19.000 -0.027 0.000 0.823 146 A HN 0.457 nan 8.150 nan 0.000 0.442 147 L N -0.791 120.169 121.223 -0.438 0.000 2.191 147 L HA -0.175 4.163 4.340 -0.003 0.000 0.212 147 L C 2.516 178.967 176.870 -0.699 0.000 1.103 147 L CA 1.285 55.718 54.840 -0.680 0.000 0.769 147 L CB -0.322 41.002 42.059 -1.226 0.000 0.908 147 L HN 0.386 nan 8.230 nan 0.000 0.438 148 K N -0.186 119.875 120.400 -0.566 0.000 2.097 148 K HA -0.100 4.219 4.320 -0.003 0.000 0.205 148 K C 2.001 178.458 176.600 -0.238 0.000 1.050 148 K CA 1.217 57.300 56.287 -0.339 0.000 0.938 148 K CB -0.273 31.996 32.500 -0.385 0.000 0.718 148 K HN 0.383 nan 8.250 nan 0.000 0.442 149 G N 0.093 108.752 108.800 -0.235 0.000 2.650 149 G HA2 -0.105 3.854 3.960 -0.003 0.000 0.214 149 G HA3 -0.105 3.854 3.960 -0.003 0.000 0.214 149 G C 1.302 176.083 174.900 -0.199 0.000 1.136 149 G CA 0.652 45.650 45.100 -0.171 0.000 0.789 149 G HN 0.308 nan 8.290 nan 0.000 0.536 150 A N -0.279 122.381 122.820 -0.267 0.000 2.147 150 A HA 0.287 4.606 4.320 -0.003 0.000 0.211 150 A C 0.974 178.165 177.584 -0.655 0.000 1.160 150 A CA 0.373 52.171 52.037 -0.399 0.000 0.781 150 A CB -0.006 18.756 19.000 -0.397 0.000 0.842 150 A HN 0.375 nan 8.150 nan 0.000 0.475 151 H N -1.403 117.485 119.070 -0.303 0.000 2.551 151 H HA 0.423 4.977 4.556 -0.003 0.000 0.238 151 H C 1.058 176.321 175.328 -0.108 0.000 1.345 151 H CA -0.243 55.671 56.048 -0.223 0.000 1.105 151 H CB 0.055 29.610 29.762 -0.345 0.000 1.805 151 H HN 0.362 nan 8.280 nan 0.000 0.553 152 G N 0.694 109.459 108.800 -0.058 0.000 2.379 152 G HA2 -0.229 3.729 3.960 -0.003 0.000 0.297 152 G HA3 -0.229 3.729 3.960 -0.003 0.000 0.297 152 G C 1.346 176.239 174.900 -0.012 0.000 1.004 152 G CA 0.667 45.748 45.100 -0.033 0.000 0.921 152 G HN 1.173 nan 8.290 nan 0.000 0.511 153 G N -1.912 106.874 108.800 -0.023 0.000 2.155 153 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.257 153 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.257 153 G C 0.598 175.514 174.900 0.027 0.000 0.983 153 G CA 0.549 45.634 45.100 -0.026 0.000 0.676 153 G HN 1.287 nan 8.290 nan 0.000 0.528 154 L N 0.842 122.129 121.223 0.107 0.000 2.483 154 L HA 0.257 4.595 4.340 -0.003 0.000 0.275 154 L C -1.337 175.529 176.870 -0.006 0.000 1.220 154 L CA -1.547 53.347 54.840 0.090 0.000 0.833 154 L CB 0.372 42.535 42.059 0.173 0.000 1.102 154 L HN -0.032 nan 8.230 nan 0.000 0.490 155 P HA -0.078 nan 4.420 nan 0.000 0.272 155 P C 0.300 176.975 177.300 -1.042 0.000 1.230 155 P CA -0.320 62.535 63.100 -0.410 0.000 0.788 155 P CB 0.299 31.780 31.700 -0.364 0.000 0.949 156 W N 2.652 123.159 121.300 -1.323 0.000 2.363 156 W HA -0.174 4.484 4.660 -0.002 0.000 0.296 156 W C 0.436 176.224 176.519 -1.219 0.000 1.212 156 W CA 1.442 57.398 57.345 -2.316 0.000 1.260 156 W CB -1.956 26.525 29.460 -1.631 0.000 1.131 156 W HN 0.301 nan 8.180 nan 0.000 0.530 157 N N 1.133 118.790 118.700 -1.738 0.000 2.551 157 N HA -0.063 4.675 4.740 -0.003 0.000 0.199 157 N C 0.939 176.058 175.510 -0.652 0.000 1.277 157 N CA 0.458 52.722 53.050 -1.309 0.000 0.870 157 N CB -0.651 36.895 38.487 -1.570 0.000 1.028 157 N HN 0.334 nan 8.380 nan 0.000 0.452 158 R N -1.602 118.559 120.500 -0.565 0.000 2.549 158 R HA 0.179 4.518 4.340 -0.003 0.000 0.361 158 R C -0.501 175.759 176.300 -0.067 0.000 0.969 158 R CA -0.566 55.371 56.100 -0.271 0.000 1.158 158 R CB 0.274 30.432 30.300 -0.236 0.000 1.456 158 R HN 0.090 nan 8.270 nan 0.000 0.540 159 W N 1.865 123.032 121.300 -0.222 0.000 2.141 159 W HA 0.334 4.992 4.660 -0.003 0.000 0.354 159 W C -2.024 174.391 176.519 -0.173 0.000 1.297 159 W CA -2.917 54.251 57.345 -0.295 0.000 1.380 159 W CB -0.844 28.363 29.460 -0.422 0.000 1.168 159 W HN -0.236 nan 8.180 nan 0.000 0.639 160 P HA -0.020 nan 4.420 nan 0.000 0.267 160 P C 1.322 178.683 177.300 0.102 0.000 1.200 160 P CA 0.271 63.412 63.100 0.068 0.000 0.772 160 P CB 0.585 32.318 31.700 0.056 0.000 0.855 161 L N 4.677 125.951 121.223 0.084 0.000 1.997 161 L HA -0.177 4.162 4.340 -0.003 0.000 0.216 161 L C -0.370 176.574 176.870 0.123 0.000 1.074 161 L CA 2.302 57.200 54.840 0.098 0.000 0.763 161 L CB -2.083 40.016 42.059 0.066 0.000 0.890 161 L HN 0.498 nan 8.230 nan 0.000 0.434 162 P HA -0.214 nan 4.420 nan 0.000 0.217 162 P C 1.852 179.243 177.300 0.152 0.000 1.151 162 P CA 1.777 64.936 63.100 0.099 0.000 0.849 162 P CB 0.047 31.789 31.700 0.070 0.000 0.787 163 L N -1.103 120.234 121.223 0.189 0.000 2.127 163 L HA 0.024 4.362 4.340 -0.003 0.000 0.203 163 L C 3.183 180.393 176.870 0.567 0.000 1.080 163 L CA 0.883 55.909 54.840 0.310 0.000 0.768 163 L CB -0.676 41.481 42.059 0.162 0.000 0.924 163 L HN -0.136 nan 8.230 nan 0.000 0.444 164 R N 1.085 121.873 120.500 0.481 0.000 2.083 164 R HA -0.175 4.163 4.340 -0.003 0.000 0.237 164 R C 1.680 178.306 176.300 0.543 0.000 1.137 164 R CA 1.553 58.002 56.100 0.582 0.000 0.951 164 R CB 0.023 30.520 30.300 0.328 0.000 0.851 164 R HN 0.243 nan 8.270 nan 0.000 0.434 165 K N 0.379 120.963 120.400 0.308 0.000 2.476 165 K HA 0.085 4.404 4.320 -0.003 0.000 0.196 165 K C -0.242 176.405 176.600 0.077 0.000 1.025 165 K CA -0.017 56.373 56.287 0.172 0.000 1.138 165 K CB 0.239 32.806 32.500 0.112 0.000 0.860 165 K HN 0.177 nan 8.250 nan 0.000 0.515 166 R N 1.525 122.103 120.500 0.130 0.000 3.322 166 R HA -0.180 4.158 4.340 -0.003 0.000 0.253 166 R C -1.054 175.230 176.300 -0.025 0.000 0.987 166 R CA 0.460 56.556 56.100 -0.007 0.000 0.666 166 R CB -1.906 28.209 30.300 -0.307 0.000 1.072 166 R HN 0.405 nan 8.270 nan 0.000 0.447 167 E N 0.851 121.070 120.200 0.031 0.000 2.417 167 E HA -0.070 4.279 4.350 -0.003 0.000 0.261 167 E C 0.876 177.475 176.600 -0.001 0.000 1.000 167 E CA -0.082 56.324 56.400 0.010 0.000 0.919 167 E CB 0.567 30.285 29.700 0.029 0.000 0.955 167 E HN 0.246 nan 8.360 nan 0.000 0.455 168 E N 3.184 123.371 120.200 -0.022 0.000 2.136 168 E HA -0.342 4.006 4.350 -0.003 0.000 0.202 168 E C 1.739 178.334 176.600 -0.009 0.000 1.019 168 E CA 1.599 57.983 56.400 -0.026 0.000 0.819 168 E CB 0.030 29.712 29.700 -0.030 0.000 0.739 168 E HN 0.387 nan 8.360 nan 0.000 0.458 169 K N 0.640 121.040 120.400 -0.000 0.000 1.973 169 K HA -0.174 4.145 4.320 -0.003 0.000 0.212 169 K C 2.261 178.870 176.600 0.015 0.000 1.047 169 K CA 1.338 57.628 56.287 0.005 0.000 0.937 169 K CB -0.241 32.263 32.500 0.007 0.000 0.721 169 K HN 0.097 nan 8.250 nan 0.000 0.440 170 A N 1.053 123.890 122.820 0.028 0.000 1.927 170 A HA -0.206 4.112 4.320 -0.003 0.000 0.220 170 A C 2.064 179.678 177.584 0.051 0.000 1.185 170 A CA 1.700 53.763 52.037 0.043 0.000 0.639 170 A CB -0.711 18.329 19.000 0.066 0.000 0.820 170 A HN 0.344 nan 8.150 nan 0.000 0.451 171 L N -0.683 120.571 121.223 0.053 0.000 2.093 171 L HA -0.088 4.250 4.340 -0.003 0.000 0.208 171 L C 2.638 179.527 176.870 0.031 0.000 1.085 171 L CA 1.713 56.588 54.840 0.058 0.000 0.755 171 L CB -0.700 41.374 42.059 0.026 0.000 0.904 171 L HN 0.349 nan 8.230 nan 0.000 0.435 172 R N -0.538 119.969 120.500 0.012 0.000 2.073 172 R HA -0.159 4.179 4.340 -0.003 0.000 0.234 172 R C 2.144 178.448 176.300 0.006 0.000 1.134 172 R CA 1.555 57.657 56.100 0.003 0.000 0.952 172 R CB -0.336 29.962 30.300 -0.004 0.000 0.850 172 R HN 0.469 nan 8.270 nan 0.000 0.433 173 E N 0.409 120.614 120.200 0.008 0.000 2.077 173 E HA -0.165 4.184 4.350 -0.003 0.000 0.193 173 E C 2.068 178.670 176.600 0.003 0.000 0.989 173 E CA 1.056 57.459 56.400 0.004 0.000 0.800 173 E CB -0.101 29.602 29.700 0.004 0.000 0.746 173 E HN 0.347 nan 8.360 nan 0.000 0.452 174 A N 1.929 124.756 122.820 0.012 0.000 1.865 174 A HA -0.270 4.048 4.320 -0.003 0.000 0.217 174 A C 2.090 179.676 177.584 0.005 0.000 1.191 174 A CA 1.874 53.914 52.037 0.004 0.000 0.623 174 A CB -0.477 18.534 19.000 0.019 0.000 0.826 174 A HN 0.089 nan 8.150 nan 0.000 0.444 175 K N -0.532 119.880 120.400 0.019 0.000 2.063 175 K HA -0.156 4.162 4.320 -0.003 0.000 0.208 175 K C 2.369 178.976 176.600 0.012 0.000 1.048 175 K CA 1.648 57.947 56.287 0.020 0.000 0.928 175 K CB -0.230 32.281 32.500 0.019 0.000 0.713 175 K HN 0.435 nan 8.250 nan 0.000 0.442 176 S N -0.233 115.471 115.700 0.006 0.000 2.355 176 S HA -0.092 4.377 4.470 -0.003 0.000 0.222 176 S C 1.943 176.543 174.600 0.001 0.000 1.031 176 S CA 1.218 59.420 58.200 0.003 0.000 0.993 176 S CB -0.298 62.901 63.200 -0.002 0.000 0.859 176 S HN 0.479 nan 8.310 nan 0.000 0.453 177 A N 0.560 123.376 122.820 -0.006 0.000 2.067 177 A HA 0.221 4.539 4.320 -0.003 0.000 0.219 177 A C 1.681 179.256 177.584 -0.016 0.000 1.158 177 A CA 0.947 52.975 52.037 -0.015 0.000 0.661 177 A CB -0.342 18.643 19.000 -0.025 0.000 0.801 177 A HN 0.584 nan 8.150 nan 0.000 0.452 178 L N -1.488 119.730 121.223 -0.008 0.000 3.014 178 L HA 0.257 4.596 4.340 -0.003 0.000 0.263 178 L C 2.218 179.109 176.870 0.035 0.000 1.207 178 L CA 0.285 55.124 54.840 -0.000 0.000 1.017 178 L CB -0.026 42.020 42.059 -0.020 0.000 1.360 178 L HN 0.313 nan 8.230 nan 0.000 0.560 179 A N 0.727 123.569 122.820 0.036 0.000 1.940 179 A HA -0.286 4.032 4.320 -0.003 0.000 0.221 179 A C 2.175 179.820 177.584 0.103 0.000 1.190 179 A CA 2.300 54.371 52.037 0.057 0.000 0.647 179 A CB -0.210 18.815 19.000 0.042 0.000 0.821 179 A HN 0.389 nan 8.150 nan 0.000 0.457 180 E N -0.980 119.284 120.200 0.108 0.000 2.158 180 E HA -0.072 4.277 4.350 -0.003 0.000 0.191 180 E C 1.936 178.660 176.600 0.207 0.000 0.982 180 E CA 1.189 57.695 56.400 0.177 0.000 0.823 180 E CB -0.083 29.695 29.700 0.130 0.000 0.766 180 E HN 0.623 nan 8.360 nan 0.000 0.468 181 E N -0.730 119.553 120.200 0.139 0.000 2.112 181 E HA -0.043 4.305 4.350 -0.003 0.000 0.190 181 E C 1.832 178.574 176.600 0.236 0.000 0.979 181 E CA 0.675 57.172 56.400 0.160 0.000 0.814 181 E CB -0.086 29.673 29.700 0.098 0.000 0.762 181 E HN 0.097 nan 8.360 nan 0.000 0.460 182 V N 0.759 120.779 119.914 0.176 0.000 2.343 182 V HA -0.230 3.888 4.120 -0.003 0.000 0.247 182 V C 2.319 178.516 176.094 0.173 0.000 1.051 182 V CA 1.781 64.181 62.300 0.167 0.000 1.036 182 V CB -0.831 31.051 31.823 0.098 0.000 0.654 182 V HN 0.423 nan 8.190 nan 0.000 0.451 183 A N -0.483 122.445 122.820 0.179 0.000 1.972 183 A HA -0.223 4.095 4.320 -0.003 0.000 0.219 183 A C 2.083 179.684 177.584 0.029 0.000 1.169 183 A CA 1.837 54.012 52.037 0.229 0.000 0.635 183 A CB -0.665 18.567 19.000 0.387 0.000 0.810 183 A HN 0.543 nan 8.150 nan 0.000 0.446 184 F N 0.616 120.363 119.950 -0.339 0.000 2.102 184 F HA -0.210 4.315 4.527 -0.002 0.000 0.298 184 F C 2.386 178.002 175.800 -0.305 0.000 1.105 184 F CA 2.131 59.684 58.000 -0.745 0.000 1.239 184 F CB -0.566 38.139 39.000 -0.491 0.000 0.991 184 F HN 0.386 nan 8.300 nan 0.000 0.474 185 H N -0.120 118.819 119.070 -0.218 0.000 2.389 185 H HA 0.005 4.560 4.556 -0.003 0.000 0.299 185 H C 2.368 177.747 175.328 0.085 0.000 1.081 185 H CA 1.325 57.272 56.048 -0.168 0.000 1.345 185 H CB -0.778 28.954 29.762 -0.050 0.000 1.393 185 H HN 0.407 nan 8.280 nan 0.000 0.520 186 A N 0.858 123.852 122.820 0.291 0.000 1.969 186 A HA -0.162 4.157 4.320 -0.003 0.000 0.218 186 A C 2.246 180.186 177.584 0.593 0.000 1.169 186 A CA 0.992 53.305 52.037 0.460 0.000 0.635 186 A CB -0.894 18.330 19.000 0.372 0.000 0.810 186 A HN 0.330 nan 8.150 nan 0.000 0.445 187 F N 2.095 122.137 119.950 0.153 0.000 2.102 187 F HA -0.197 4.328 4.527 -0.003 0.000 0.298 187 F C 2.725 178.424 175.800 -0.169 0.000 1.105 187 F CA 2.422 60.272 58.000 -0.251 0.000 1.239 187 F CB -0.775 37.808 39.000 -0.696 0.000 0.991 187 F HN 0.338 nan 8.300 nan 0.000 0.474 188 T N -2.038 112.360 114.554 -0.262 0.000 2.833 188 T HA -0.200 4.148 4.350 -0.003 0.000 0.269 188 T C 1.797 176.449 174.700 -0.079 0.000 1.054 188 T CA 1.277 63.204 62.100 -0.289 0.000 1.135 188 T CB -0.446 68.276 68.868 -0.242 0.000 0.869 188 T HN 0.291 nan 8.240 nan 0.000 0.466 189 Q N -0.388 119.524 119.800 0.186 0.000 2.123 189 Q HA 0.007 4.346 4.340 -0.003 0.000 0.199 189 Q C 1.843 178.015 176.000 0.287 0.000 0.966 189 Q CA 1.190 57.263 55.803 0.450 0.000 0.845 189 Q CB -0.641 28.589 28.738 0.820 0.000 0.907 189 Q HN 0.817 nan 8.270 nan 0.000 0.439 190 W N 1.602 122.715 121.300 -0.312 0.000 2.358 190 W HA -0.131 4.527 4.660 -0.003 0.000 0.303 190 W C 1.687 177.867 176.519 -0.564 0.000 1.208 190 W CA 1.211 57.972 57.345 -0.973 0.000 1.274 190 W CB -0.510 28.598 29.460 -0.586 0.000 1.138 190 W HN 0.057 nan 8.180 nan 0.000 0.515 191 L N -0.525 120.269 121.223 -0.715 0.000 2.093 191 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 191 L C 2.506 179.099 176.870 -0.461 0.000 1.085 191 L CA 1.500 55.871 54.840 -0.781 0.000 0.755 191 L CB -1.277 40.338 42.059 -0.740 0.000 0.904 191 L HN 0.009 nan 8.230 nan 0.000 0.435 192 F N 0.947 120.651 119.950 -0.409 0.000 2.026 192 F HA -0.268 4.257 4.527 -0.003 0.000 0.296 192 F C 2.221 177.823 175.800 -0.330 0.000 1.133 192 F CA 1.680 59.452 58.000 -0.379 0.000 1.188 192 F CB -0.502 38.193 39.000 -0.508 0.000 0.968 192 F HN -0.154 nan 8.300 nan 0.000 0.476 193 F N 0.363 120.382 119.950 0.115 0.000 2.250 193 F HA -0.133 4.392 4.527 -0.003 0.000 0.301 193 F C 2.641 178.392 175.800 -0.082 0.000 1.077 193 F CA 1.487 59.549 58.000 0.103 0.000 1.348 193 F CB -0.638 38.562 39.000 0.333 0.000 1.040 193 F HN -0.055 nan 8.300 nan 0.000 0.509 194 R N 0.362 120.776 120.500 -0.144 0.000 2.057 194 R HA -0.147 4.192 4.340 -0.003 0.000 0.229 194 R C 2.186 178.352 176.300 -0.224 0.000 1.136 194 R CA 1.521 57.480 56.100 -0.234 0.000 0.952 194 R CB -0.279 29.681 30.300 -0.567 0.000 0.848 194 R HN 0.293 nan 8.270 nan 0.000 0.430 195 Q N -0.746 118.867 119.800 -0.311 0.000 2.167 195 Q HA -0.210 4.128 4.340 -0.003 0.000 0.202 195 Q C 1.745 177.588 176.000 -0.261 0.000 0.970 195 Q CA 1.292 56.928 55.803 -0.279 0.000 0.855 195 Q CB -0.143 28.418 28.738 -0.296 0.000 0.911 195 Q HN 0.544 nan 8.270 nan 0.000 0.438 196 W N 0.539 121.545 121.300 -0.490 0.000 2.436 196 W HA -0.041 4.617 4.660 -0.003 0.000 0.284 196 W C 1.640 178.046 176.519 -0.187 0.000 1.225 196 W CA 1.506 58.603 57.345 -0.415 0.000 1.271 196 W CB -0.126 28.937 29.460 -0.661 0.000 1.114 196 W HN 0.159 nan 8.180 nan 0.000 0.559 197 G N 0.761 109.524 108.800 -0.061 0.000 2.418 197 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.217 197 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.217 197 G C 1.693 176.512 174.900 -0.134 0.000 1.158 197 G CA 1.509 46.585 45.100 -0.040 0.000 0.771 197 G HN 0.302 nan 8.290 nan 0.000 0.545 198 A N 0.309 123.036 122.820 -0.155 0.000 1.898 198 A HA 0.103 4.421 4.320 -0.003 0.000 0.216 198 A C 2.333 179.800 177.584 -0.195 0.000 1.181 198 A CA 1.558 53.509 52.037 -0.144 0.000 0.620 198 A CB -0.415 18.504 19.000 -0.135 0.000 0.819 198 A HN 0.387 nan 8.150 nan 0.000 0.442 199 L N -0.096 120.944 121.223 -0.304 0.000 2.093 199 L HA -0.089 4.249 4.340 -0.003 0.000 0.208 199 L C 2.278 178.935 176.870 -0.356 0.000 1.085 199 L CA 2.457 57.084 54.840 -0.356 0.000 0.755 199 L CB -0.487 41.269 42.059 -0.505 0.000 0.904 199 L HN 0.460 nan 8.230 nan 0.000 0.435 200 K N -0.887 119.238 120.400 -0.458 0.000 2.097 200 K HA -0.136 4.183 4.320 -0.003 0.000 0.206 200 K C 1.990 178.544 176.600 -0.076 0.000 1.049 200 K CA 1.202 57.332 56.287 -0.260 0.000 0.933 200 K CB -0.170 32.188 32.500 -0.236 0.000 0.717 200 K HN 0.414 nan 8.250 nan 0.000 0.442 201 A N 0.943 123.710 122.820 -0.088 0.000 1.930 201 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 201 A C 1.971 179.526 177.584 -0.048 0.000 1.175 201 A CA 1.858 53.872 52.037 -0.038 0.000 0.627 201 A CB -0.545 18.432 19.000 -0.039 0.000 0.815 201 A HN 0.487 nan 8.150 nan 0.000 0.443 202 E N 0.320 120.471 120.200 -0.082 0.000 2.077 202 E HA -0.075 4.274 4.350 -0.003 0.000 0.193 202 E C 2.004 178.560 176.600 -0.073 0.000 0.989 202 E CA 1.617 57.967 56.400 -0.083 0.000 0.800 202 E CB -0.439 29.195 29.700 -0.109 0.000 0.746 202 E HN 0.466 nan 8.360 nan 0.000 0.452 203 A N 0.701 123.486 122.820 -0.058 0.000 1.877 203 A HA -0.226 4.092 4.320 -0.003 0.000 0.216 203 A C 2.088 179.649 177.584 -0.038 0.000 1.186 203 A CA 1.825 53.847 52.037 -0.024 0.000 0.620 203 A CB -0.680 18.373 19.000 0.089 0.000 0.822 203 A HN 0.377 nan 8.150 nan 0.000 0.443 204 E N -0.337 119.858 120.200 -0.009 0.000 2.110 204 E HA -0.102 4.246 4.350 -0.003 0.000 0.193 204 E C 2.186 178.753 176.600 -0.055 0.000 0.988 204 E CA 0.887 57.265 56.400 -0.037 0.000 0.804 204 E CB -0.270 29.449 29.700 0.031 0.000 0.745 204 E HN 0.627 nan 8.360 nan 0.000 0.458 205 A N 0.741 123.534 122.820 -0.046 0.000 2.067 205 A HA -0.076 4.242 4.320 -0.003 0.000 0.219 205 A C 1.914 179.459 177.584 -0.065 0.000 1.158 205 A CA 0.804 52.812 52.037 -0.049 0.000 0.661 205 A CB -0.208 18.766 19.000 -0.044 0.000 0.801 205 A HN 0.145 nan 8.150 nan 0.000 0.452 206 L N -1.106 120.068 121.223 -0.080 0.000 2.628 206 L HA 0.241 4.579 4.340 -0.003 0.000 0.229 206 L C 1.475 178.275 176.870 -0.118 0.000 1.137 206 L CA 0.395 55.176 54.840 -0.098 0.000 0.909 206 L CB -0.123 41.869 42.059 -0.112 0.000 1.137 206 L HN 0.526 nan 8.230 nan 0.000 0.470 207 G N 1.219 109.947 108.800 -0.121 0.000 2.160 207 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.251 207 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.251 207 G C 0.095 174.863 174.900 -0.220 0.000 1.008 207 G CA 0.032 45.039 45.100 -0.154 0.000 0.724 207 G HN 0.339 nan 8.290 nan 0.000 0.514 208 I N -0.024 120.422 120.570 -0.206 0.000 2.377 208 I HA 0.479 4.648 4.170 -0.003 0.000 0.293 208 I C 0.717 176.682 176.117 -0.253 0.000 0.987 208 I CA -0.895 60.267 61.300 -0.230 0.000 1.185 208 I CB 1.432 39.363 38.000 -0.115 0.000 1.341 208 I HN 0.002 nan 8.210 nan 0.000 0.455 209 R N 5.919 126.184 120.500 -0.391 0.000 2.407 209 R HA 0.636 4.974 4.340 -0.003 0.000 0.303 209 R C -0.880 175.565 176.300 0.242 0.000 0.981 209 R CA -0.665 55.252 56.100 -0.305 0.000 0.905 209 R CB 1.759 31.783 30.300 -0.460 0.000 1.099 209 R HN 0.514 nan 8.270 nan 0.000 0.459 210 I N 4.121 125.116 120.570 0.708 0.000 2.331 210 I HA 0.274 4.442 4.170 -0.003 0.000 0.292 210 I C 0.002 176.376 176.117 0.428 0.000 0.998 210 I CA -0.427 61.197 61.300 0.539 0.000 1.267 210 I CB 1.227 39.570 38.000 0.572 0.000 1.386 210 I HN 0.392 nan 8.210 nan 0.000 0.476 211 I N 5.769 126.486 120.570 0.245 0.000 2.297 211 I HA 0.337 4.505 4.170 -0.003 0.000 0.291 211 I C 0.872 176.857 176.117 -0.221 0.000 1.033 211 I CA -0.130 61.223 61.300 0.089 0.000 1.253 211 I CB 1.127 39.189 38.000 0.103 0.000 1.396 211 I HN 0.646 nan 8.210 nan 0.000 0.476 212 G N 4.098 112.549 108.800 -0.582 0.000 2.535 212 G HA2 0.377 4.336 3.960 -0.003 0.000 0.303 212 G HA3 0.377 4.336 3.960 -0.003 0.000 0.303 212 G C -1.363 173.083 174.900 -0.757 0.000 1.237 212 G CA -0.122 44.077 45.100 -1.502 0.000 0.986 212 G HN 0.519 nan 8.290 nan 0.000 0.494 213 D N -0.965 119.005 120.400 -0.715 0.000 2.934 213 D HA 0.542 5.181 4.640 -0.003 0.000 0.230 213 D C -0.478 175.652 176.300 -0.282 0.000 1.204 213 D CA -0.484 53.309 54.000 -0.345 0.000 0.873 213 D CB 1.842 42.473 40.800 -0.282 0.000 1.645 213 D HN 0.511 nan 8.370 nan 0.000 0.502 214 M N 2.024 121.560 119.600 -0.106 0.000 2.271 214 M HA 0.609 5.087 4.480 -0.003 0.000 0.285 214 M C -3.031 173.312 176.300 0.072 0.000 1.059 214 M CA -1.603 53.661 55.300 -0.059 0.000 0.940 214 M CB 3.186 35.781 32.600 -0.010 0.000 1.636 214 M HN -0.085 nan 8.290 nan 0.000 0.460 215 P HA 0.123 nan 4.420 nan 0.000 0.276 215 P C 0.439 177.852 177.300 0.187 0.000 1.230 215 P CA -0.215 62.987 63.100 0.169 0.000 0.776 215 P CB 1.540 33.352 31.700 0.186 0.000 0.888 216 I N 2.240 122.894 120.570 0.140 0.000 2.286 216 I HA -0.143 4.025 4.170 -0.003 0.000 0.248 216 I C 0.330 176.553 176.117 0.177 0.000 1.115 216 I CA 1.153 62.509 61.300 0.094 0.000 1.392 216 I CB 0.012 37.750 38.000 -0.438 0.000 1.065 216 I HN 0.159 nan 8.210 nan 0.000 0.418 217 F N 0.344 120.534 119.950 0.400 0.000 2.422 217 F HA 0.382 4.907 4.527 -0.002 0.000 0.333 217 F C 0.445 176.342 175.800 0.161 0.000 1.095 217 F CA -1.169 57.008 58.000 0.295 0.000 1.038 217 F CB 1.162 40.301 39.000 0.231 0.000 1.156 217 F HN -0.229 nan 8.300 nan 0.000 0.483 218 V N 0.331 120.421 119.914 0.293 0.000 3.369 218 V HA 0.856 4.975 4.120 -0.003 0.000 0.309 218 V C 0.135 176.251 176.094 0.035 0.000 1.069 218 V CA -1.074 61.299 62.300 0.122 0.000 1.042 218 V CB 0.970 32.865 31.823 0.120 0.000 1.192 218 V HN 0.878 nan 8.190 nan 0.000 0.447 219 A N -0.248 122.556 122.820 -0.027 0.000 2.302 219 A HA 0.419 4.738 4.320 -0.003 0.000 0.285 219 A C 1.063 178.613 177.584 -0.057 0.000 1.105 219 A CA 0.093 52.109 52.037 -0.035 0.000 0.816 219 A CB 0.542 19.509 19.000 -0.055 0.000 1.067 219 A HN 1.058 nan 8.150 nan 0.000 0.489 220 E N 0.155 120.342 120.200 -0.021 0.000 2.031 220 E HA -0.197 4.151 4.350 -0.003 0.000 0.193 220 E C -0.275 176.435 176.600 0.185 0.000 0.994 220 E CA 1.361 57.767 56.400 0.009 0.000 0.800 220 E CB 0.035 29.727 29.700 -0.014 0.000 0.752 220 E HN 0.716 nan 8.360 nan 0.000 0.447 221 D N 0.856 121.372 120.400 0.194 0.000 2.522 221 D HA 0.088 4.726 4.640 -0.003 0.000 0.218 221 D C -1.446 175.138 176.300 0.474 0.000 1.149 221 D CA -0.160 54.086 54.000 0.411 0.000 0.981 221 D CB 0.118 41.113 40.800 0.324 0.000 1.041 221 D HN 0.065 nan 8.370 nan 0.000 0.518 222 S N 0.467 116.300 115.700 0.221 0.000 2.564 222 S HA 0.656 5.124 4.470 -0.003 0.000 0.274 222 S C 1.143 175.358 174.600 -0.641 0.000 1.124 222 S CA -0.411 57.670 58.200 -0.198 0.000 0.869 222 S CB 1.536 64.677 63.200 -0.098 0.000 1.105 222 S HN 0.127 nan 8.310 nan 0.000 0.472 223 A N 1.293 123.497 122.820 -1.027 0.000 1.917 223 A HA -0.103 4.216 4.320 -0.003 0.000 0.219 223 A C 1.753 179.291 177.584 -0.076 0.000 1.182 223 A CA 2.153 53.858 52.037 -0.554 0.000 0.633 223 A CB -1.141 17.781 19.000 -0.131 0.000 0.819 223 A HN 0.887 nan 8.150 nan 0.000 0.448 224 E N -0.566 119.638 120.200 0.007 0.000 2.208 224 E HA -0.037 4.311 4.350 -0.003 0.000 0.193 224 E C 1.872 178.463 176.600 -0.016 0.000 0.988 224 E CA 0.963 57.468 56.400 0.174 0.000 0.828 224 E CB -0.324 29.634 29.700 0.431 0.000 0.763 224 E HN 0.374 nan 8.360 nan 0.000 0.478 225 V N -0.087 119.665 119.914 -0.270 0.000 2.453 225 V HA -0.164 3.955 4.120 -0.003 0.000 0.247 225 V C 1.818 177.530 176.094 -0.637 0.000 1.048 225 V CA 1.438 63.441 62.300 -0.495 0.000 1.049 225 V CB -0.462 31.019 31.823 -0.569 0.000 0.672 225 V HN 0.471 nan 8.190 nan 0.000 0.457 226 W N 1.550 122.125 121.300 -1.209 0.000 2.363 226 W HA -0.124 4.534 4.660 -0.002 0.000 0.296 226 W C 2.211 178.260 176.519 -0.783 0.000 1.212 226 W CA 1.567 57.949 57.345 -1.605 0.000 1.260 226 W CB -0.275 28.458 29.460 -1.212 0.000 1.131 226 W HN 0.168 nan 8.180 nan 0.000 0.530 227 A N -1.435 120.964 122.820 -0.702 0.000 2.132 227 A HA 0.043 4.361 4.320 -0.003 0.000 0.213 227 A C 0.552 177.511 177.584 -1.042 0.000 1.154 227 A CA 0.794 52.275 52.037 -0.927 0.000 0.753 227 A CB -0.510 18.039 19.000 -0.752 0.000 0.826 227 A HN 0.426 nan 8.150 nan 0.000 0.469 228 H N -0.846 117.951 119.070 -0.454 0.000 2.616 228 H HA 0.164 4.719 4.556 -0.002 0.000 0.229 228 H C -2.108 173.040 175.328 -0.300 0.000 1.418 228 H CA -1.160 54.531 56.048 -0.595 0.000 1.248 228 H CB 0.430 29.584 29.762 -1.013 0.000 1.822 228 H HN 0.347 nan 8.280 nan 0.000 0.522 229 P HA -0.170 nan 4.420 nan 0.000 0.221 229 P C 0.733 178.080 177.300 0.078 0.000 1.145 229 P CA 1.095 64.227 63.100 0.053 0.000 0.795 229 P CB 0.471 32.184 31.700 0.022 0.000 0.775 230 E N -1.033 119.107 120.200 -0.099 0.000 2.265 230 E HA -0.154 4.195 4.350 -0.003 0.000 0.196 230 E C 1.494 178.087 176.600 -0.012 0.000 0.996 230 E CA 0.904 57.250 56.400 -0.090 0.000 0.832 230 E CB -0.936 28.662 29.700 -0.169 0.000 0.756 230 E HN 0.380 nan 8.360 nan 0.000 0.491 231 W N -0.094 121.086 121.300 -0.200 0.000 3.256 231 W HA 0.270 4.929 4.660 -0.001 0.000 0.269 231 W C -0.228 175.765 176.519 -0.877 0.000 1.310 231 W CA -0.336 56.668 57.345 -0.569 0.000 1.673 231 W CB -0.440 28.523 29.460 -0.827 0.000 1.115 231 W HN -0.068 nan 8.180 nan 0.000 0.686 232 F N -1.112 118.852 119.950 0.023 0.000 2.593 232 F HA 0.320 4.846 4.527 -0.002 0.000 0.320 232 F C 0.679 176.405 175.800 -0.124 0.000 1.060 232 F CA -1.409 56.549 58.000 -0.069 0.000 0.940 232 F CB 0.552 39.526 39.000 -0.043 0.000 1.268 232 F HN -0.277 nan 8.300 nan 0.000 0.475 233 H N 3.699 122.889 119.070 0.200 0.000 3.118 233 H HA 0.373 4.927 4.556 -0.003 0.000 0.266 233 H C -0.474 174.919 175.328 0.109 0.000 1.465 233 H CA 0.321 56.443 56.048 0.124 0.000 1.460 233 H CB -0.290 29.523 29.762 0.085 0.000 1.661 233 H HN 0.298 nan 8.280 nan 0.000 0.516 234 L N 1.808 123.138 121.223 0.179 0.000 2.279 234 L HA 0.296 4.635 4.340 -0.003 0.000 0.262 234 L C 0.296 177.227 176.870 0.103 0.000 1.019 234 L CA -1.331 53.592 54.840 0.138 0.000 0.823 234 L CB 1.793 43.957 42.059 0.175 0.000 1.358 234 L HN 0.416 nan 8.230 nan 0.000 0.432 235 D N -1.453 118.986 120.400 0.065 0.000 2.437 235 D HA 0.194 4.833 4.640 -0.003 0.000 0.259 235 D C 0.332 176.661 176.300 0.048 0.000 1.118 235 D CA -0.636 53.392 54.000 0.047 0.000 1.017 235 D CB 0.754 41.565 40.800 0.019 0.000 1.120 235 D HN 0.418 nan 8.370 nan 0.000 0.541 236 E N -0.880 119.343 120.200 0.038 0.000 2.331 236 E HA -0.137 4.211 4.350 -0.003 0.000 0.199 236 E C 0.769 177.391 176.600 0.037 0.000 1.008 236 E CA 1.083 57.507 56.400 0.041 0.000 0.843 236 E CB -0.102 29.615 29.700 0.029 0.000 0.761 236 E HN 0.435 nan 8.360 nan 0.000 0.507 237 E N -1.127 119.079 120.200 0.010 0.000 2.479 237 E HA 0.201 4.550 4.350 -0.003 0.000 0.193 237 E C 1.004 177.562 176.600 -0.070 0.000 1.049 237 E CA 0.538 56.923 56.400 -0.026 0.000 0.870 237 E CB 0.517 30.186 29.700 -0.052 0.000 0.944 237 E HN 0.239 nan 8.360 nan 0.000 0.492 238 G N 1.293 110.086 108.800 -0.011 0.000 2.136 238 G HA2 -0.341 3.618 3.960 -0.003 0.000 0.242 238 G HA3 -0.341 3.618 3.960 -0.003 0.000 0.242 238 G C -0.022 174.773 174.900 -0.176 0.000 0.989 238 G CA -0.015 45.069 45.100 -0.027 0.000 0.682 238 G HN 0.203 nan 8.290 nan 0.000 0.522 239 R N 0.233 120.666 120.500 -0.111 0.000 2.474 239 R HA 0.499 4.838 4.340 -0.003 0.000 0.295 239 R C -2.777 173.504 176.300 -0.033 0.000 0.980 239 R CA -2.098 53.931 56.100 -0.118 0.000 0.934 239 R CB 1.274 31.505 30.300 -0.115 0.000 1.101 239 R HN 0.034 nan 8.270 nan 0.000 0.469 240 P HA -0.019 nan 4.420 nan 0.000 0.271 240 P C 0.551 177.852 177.300 0.001 0.000 1.226 240 P CA 0.164 63.269 63.100 0.008 0.000 0.765 240 P CB 0.918 32.606 31.700 -0.020 0.000 0.835 241 T N -0.023 114.551 114.554 0.033 0.000 3.043 241 T HA 0.143 4.491 4.350 -0.003 0.000 0.263 241 T C 0.668 175.349 174.700 -0.033 0.000 1.094 241 T CA 0.414 62.518 62.100 0.006 0.000 1.127 241 T CB -0.381 68.508 68.868 0.035 0.000 0.905 241 T HN 0.285 nan 8.240 nan 0.000 0.490 242 V N -0.793 119.102 119.914 -0.033 0.000 3.049 242 V HA 0.925 5.043 4.120 -0.003 0.000 0.309 242 V C -0.700 175.340 176.094 -0.090 0.000 1.148 242 V CA -1.098 61.148 62.300 -0.089 0.000 0.990 242 V CB 1.915 33.654 31.823 -0.139 0.000 1.039 242 V HN 0.435 nan 8.190 nan 0.000 0.430 243 V N -0.409 119.425 119.914 -0.134 0.000 3.130 243 V HA 1.058 5.177 4.120 -0.003 0.000 0.310 243 V C 0.427 176.377 176.094 -0.239 0.000 1.158 243 V CA -0.353 61.852 62.300 -0.159 0.000 1.029 243 V CB 1.298 33.059 31.823 -0.103 0.000 1.057 243 V HN 2.114 nan 8.190 nan 0.000 0.436 244 A N 0.837 123.461 122.820 -0.328 0.000 2.327 244 A HA 0.950 5.269 4.320 -0.003 0.000 0.255 244 A C 0.788 178.050 177.584 -0.536 0.000 1.099 244 A CA 0.522 52.278 52.037 -0.467 0.000 0.801 244 A CB 0.171 18.784 19.000 -0.646 0.000 1.062 244 A HN 2.777 nan 8.150 nan 0.000 0.496 245 G N -2.145 106.052 108.800 -1.004 0.000 2.345 245 G HA2 0.575 4.533 3.960 -0.003 0.000 0.285 245 G HA3 0.575 4.533 3.960 -0.003 0.000 0.285 245 G C -0.976 173.312 174.900 -1.021 0.000 1.297 245 G CA 0.170 44.371 45.100 -1.498 0.000 0.875 245 G HN 2.160 nan 8.290 nan 0.000 0.506 246 V N -2.489 117.004 119.914 -0.703 0.000 2.841 246 V HA 0.897 5.015 4.120 -0.003 0.000 0.310 246 V C -2.554 173.015 176.094 -0.874 0.000 1.090 246 V CA -2.069 59.877 62.300 -0.589 0.000 0.930 246 V CB 2.181 33.856 31.823 -0.247 0.000 1.014 246 V HN 0.859 nan 8.190 nan 0.000 0.425 247 P HA 0.275 nan 4.420 nan 0.000 0.271 247 P C -2.780 174.109 177.300 -0.685 0.000 1.233 247 P CA -1.168 60.969 63.100 -1.605 0.000 0.789 247 P CB -0.363 30.109 31.700 -2.046 0.000 0.951 248 P HA 0.126 nan 4.420 nan 0.000 0.268 248 P C -0.339 176.794 177.300 -0.278 0.000 1.204 248 P CA 0.826 63.760 63.100 -0.278 0.000 0.768 248 P CB 0.313 31.903 31.700 -0.184 0.000 0.842 249 D N 1.252 121.490 120.400 -0.269 0.000 2.654 249 D HA 0.128 4.767 4.640 -0.003 0.000 0.255 249 D C 1.094 177.218 176.300 -0.293 0.000 1.101 249 D CA -0.237 53.507 54.000 -0.427 0.000 1.116 249 D CB 0.289 40.710 40.800 -0.631 0.000 1.348 249 D HN 0.353 nan 8.370 nan 0.000 0.609 250 Y N -0.618 119.718 120.300 0.060 0.000 2.483 250 Y HA -0.021 4.527 4.550 -0.003 0.000 0.291 250 Y C 1.770 177.746 175.900 0.128 0.000 1.143 250 Y CA 0.324 58.465 58.100 0.069 0.000 1.289 250 Y CB -0.632 37.867 38.460 0.065 0.000 0.983 250 Y HN 0.284 nan 8.280 nan 0.000 0.556 251 F N 0.807 120.853 119.950 0.160 0.000 2.298 251 F HA 0.347 4.872 4.527 -0.003 0.000 0.282 251 F C 0.617 176.437 175.800 0.033 0.000 1.045 251 F CA -0.091 57.994 58.000 0.142 0.000 1.280 251 F CB -0.239 38.859 39.000 0.164 0.000 1.114 251 F HN -0.214 nan 8.300 nan 0.000 0.546 252 S N 1.971 117.527 115.700 -0.241 0.000 2.488 252 S HA 0.166 4.634 4.470 -0.003 0.000 0.310 252 S C 0.613 175.097 174.600 -0.193 0.000 1.093 252 S CA -0.443 57.554 58.200 -0.339 0.000 1.129 252 S CB 0.680 63.740 63.200 -0.234 0.000 0.989 252 S HN 0.300 nan 8.310 nan 0.000 0.479 253 E N 1.326 121.428 120.200 -0.165 0.000 2.463 253 E HA -0.119 4.230 4.350 -0.003 0.000 0.201 253 E C 1.495 178.033 176.600 -0.103 0.000 1.045 253 E CA 0.739 57.073 56.400 -0.110 0.000 0.872 253 E CB 0.114 29.767 29.700 -0.078 0.000 0.797 253 E HN 0.531 nan 8.360 nan 0.000 0.538 254 T N -0.745 113.739 114.554 -0.117 0.000 3.023 254 T HA 0.282 4.631 4.350 -0.003 0.000 0.253 254 T C 0.697 175.340 174.700 -0.095 0.000 1.038 254 T CA 0.607 62.654 62.100 -0.088 0.000 0.962 254 T CB 0.120 68.942 68.868 -0.076 0.000 1.018 254 T HN 0.358 nan 8.240 nan 0.000 0.521 255 G N 1.229 109.949 108.800 -0.134 0.000 2.697 255 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.240 255 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.240 255 G C -0.902 173.940 174.900 -0.096 0.000 1.346 255 G CA -0.419 44.584 45.100 -0.161 0.000 0.887 255 G HN 0.651 nan 8.290 nan 0.000 0.569 256 Q N -0.735 118.997 119.800 -0.114 0.000 2.365 256 Q HA 0.610 4.949 4.340 -0.003 0.000 0.269 256 Q C 0.079 175.988 176.000 -0.152 0.000 1.061 256 Q CA -0.783 54.999 55.803 -0.035 0.000 0.816 256 Q CB 2.446 31.271 28.738 0.144 0.000 1.325 256 Q HN 0.616 nan 8.270 nan 0.000 0.446 257 R N 2.251 122.734 120.500 -0.028 0.000 2.310 257 R HA 0.192 4.531 4.340 -0.003 0.000 0.316 257 R C -0.250 176.124 176.300 0.123 0.000 1.004 257 R CA -0.216 55.852 56.100 -0.052 0.000 0.900 257 R CB 0.455 30.746 30.300 -0.015 0.000 1.152 257 R HN 0.712 nan 8.270 nan 0.000 0.513 258 W N 2.791 124.086 121.300 -0.009 0.000 2.436 258 W HA 0.169 4.827 4.660 -0.004 0.000 0.284 258 W C 1.466 177.973 176.519 -0.020 0.000 1.225 258 W CA 1.230 58.571 57.345 -0.006 0.000 1.271 258 W CB -0.322 29.137 29.460 -0.002 0.000 1.114 258 W HN 0.896 nan 8.180 nan 0.000 0.559 259 G N -0.194 108.694 108.800 0.147 0.000 2.195 259 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.246 259 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.246 259 G C 0.197 175.110 174.900 0.021 0.000 0.984 259 G CA 0.103 45.235 45.100 0.054 0.000 0.633 259 G HN 0.284 nan 8.290 nan 0.000 0.525 260 N N 2.702 121.433 118.700 0.052 0.000 2.441 260 N HA 0.441 5.179 4.740 -0.003 0.000 0.251 260 N C -1.913 173.521 175.510 -0.125 0.000 1.242 260 N CA -0.359 52.688 53.050 -0.006 0.000 0.898 260 N CB 0.851 39.389 38.487 0.085 0.000 1.100 260 N HN 0.259 nan 8.380 nan 0.000 0.443 261 P HA 0.088 nan 4.420 nan 0.000 0.272 261 P C -0.747 176.464 177.300 -0.148 0.000 1.223 261 P CA 0.020 63.057 63.100 -0.105 0.000 0.784 261 P CB 0.808 32.413 31.700 -0.158 0.000 0.923 262 L N 2.228 123.413 121.223 -0.062 0.000 2.331 262 L HA 0.410 4.748 4.340 -0.003 0.000 0.275 262 L C 0.488 177.375 176.870 0.028 0.000 1.022 262 L CA -1.171 53.594 54.840 -0.126 0.000 0.812 262 L CB 0.619 42.611 42.059 -0.113 0.000 1.257 262 L HN 0.340 nan 8.230 nan 0.000 0.435 263 Y N 0.852 121.158 120.300 0.010 0.000 2.379 263 Y HA 0.211 4.761 4.550 -0.001 0.000 0.337 263 Y C 0.539 176.290 175.900 -0.248 0.000 1.238 263 Y CA -0.375 57.503 58.100 -0.370 0.000 1.405 263 Y CB 0.472 38.384 38.460 -0.914 0.000 1.310 263 Y HN 0.367 nan 8.280 nan 0.000 0.569 264 R N 2.423 122.811 120.500 -0.187 0.000 2.755 264 R HA 0.047 4.386 4.340 -0.003 0.000 0.268 264 R C -0.086 176.237 176.300 0.038 0.000 1.295 264 R CA -0.256 55.788 56.100 -0.092 0.000 1.379 264 R CB -0.093 30.060 30.300 -0.244 0.000 1.170 264 R HN 0.885 nan 8.270 nan 0.000 0.584 265 W N 1.778 123.229 121.300 0.252 0.000 2.305 265 W HA -0.297 4.361 4.660 -0.002 0.000 0.308 265 W C 2.021 178.609 176.519 0.115 0.000 1.226 265 W CA 1.602 59.081 57.345 0.224 0.000 1.253 265 W CB -0.066 29.585 29.460 0.319 0.000 1.146 265 W HN 0.563 nan 8.180 nan 0.000 0.507 266 D N 0.001 120.598 120.400 0.328 0.000 2.116 266 D HA -0.198 4.440 4.640 -0.003 0.000 0.193 266 D C 1.964 178.301 176.300 0.062 0.000 0.998 266 D CA 2.081 56.186 54.000 0.176 0.000 0.836 266 D CB -1.168 39.727 40.800 0.160 0.000 0.951 266 D HN 0.175 nan 8.370 nan 0.000 0.449 267 V N 1.302 121.246 119.914 0.049 0.000 2.343 267 V HA -0.214 3.904 4.120 -0.003 0.000 0.247 267 V C 2.872 178.913 176.094 -0.088 0.000 1.051 267 V CA 1.157 63.465 62.300 0.014 0.000 1.036 267 V CB -0.583 31.281 31.823 0.068 0.000 0.654 267 V HN 0.207 nan 8.190 nan 0.000 0.451 268 L N -0.262 120.856 121.223 -0.176 0.000 2.093 268 L HA -0.190 4.148 4.340 -0.003 0.000 0.208 268 L C 2.570 179.075 176.870 -0.609 0.000 1.085 268 L CA 1.787 56.401 54.840 -0.376 0.000 0.755 268 L CB -0.559 41.341 42.059 -0.266 0.000 0.904 268 L HN 0.433 nan 8.230 nan 0.000 0.435 269 E N 0.641 120.495 120.200 -0.576 0.000 2.051 269 E HA -0.232 4.116 4.350 -0.003 0.000 0.192 269 E C 2.330 178.585 176.600 -0.575 0.000 0.991 269 E CA 1.147 56.968 56.400 -0.965 0.000 0.799 269 E CB 0.112 29.638 29.700 -0.291 0.000 0.748 269 E HN 0.372 nan 8.360 nan 0.000 0.449 270 R N 0.328 120.660 120.500 -0.279 0.000 2.120 270 R HA -0.100 4.239 4.340 -0.003 0.000 0.234 270 R C 1.560 177.770 176.300 -0.151 0.000 1.123 270 R CA 1.322 57.329 56.100 -0.155 0.000 0.975 270 R CB -0.081 30.179 30.300 -0.067 0.000 0.866 270 R HN 0.234 nan 8.270 nan 0.000 0.446 271 E N -0.168 119.918 120.200 -0.190 0.000 2.403 271 E HA 0.079 4.427 4.350 -0.003 0.000 0.188 271 E C 0.425 176.928 176.600 -0.162 0.000 1.056 271 E CA 0.199 56.528 56.400 -0.119 0.000 0.892 271 E CB 0.663 30.340 29.700 -0.039 0.000 1.049 271 E HN 0.500 nan 8.360 nan 0.000 0.465 272 G N 1.200 109.846 108.800 -0.256 0.000 2.179 272 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.257 272 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.257 272 G C 0.386 175.284 174.900 -0.004 0.000 1.010 272 G CA 0.184 45.200 45.100 -0.141 0.000 0.736 272 G HN 0.459 nan 8.290 nan 0.000 0.513 273 F N -1.120 118.791 119.950 -0.065 0.000 3.091 273 F HA -0.310 4.214 4.527 -0.005 0.000 0.288 273 F C 2.156 177.900 175.800 -0.094 0.000 0.907 273 F CA 1.403 59.362 58.000 -0.067 0.000 1.028 273 F CB -2.271 36.737 39.000 0.014 0.000 1.022 273 F HN 0.779 nan 8.300 nan 0.000 0.665 274 S N 0.021 115.688 115.700 -0.055 0.000 2.380 274 S HA -0.334 4.134 4.470 -0.003 0.000 0.229 274 S C 1.694 176.258 174.600 -0.060 0.000 1.043 274 S CA 1.508 59.677 58.200 -0.051 0.000 1.038 274 S CB -0.737 62.444 63.200 -0.032 0.000 0.872 274 S HN 0.502 nan 8.310 nan 0.000 0.456 275 F N 1.231 120.898 119.950 -0.471 0.000 2.091 275 F HA -0.033 4.492 4.527 -0.003 0.000 0.299 275 F C 2.006 177.678 175.800 -0.212 0.000 1.103 275 F CA 1.171 58.932 58.000 -0.398 0.000 1.228 275 F CB -0.873 37.631 39.000 -0.826 0.000 0.984 275 F HN 0.223 nan 8.300 nan 0.000 0.477 276 W N 0.159 121.338 121.300 -0.202 0.000 2.388 276 W HA -0.172 4.487 4.660 -0.002 0.000 0.294 276 W C 2.319 178.739 176.519 -0.164 0.000 1.212 276 W CA 0.698 57.896 57.345 -0.245 0.000 1.271 276 W CB -0.282 29.066 29.460 -0.187 0.000 1.126 276 W HN -0.050 nan 8.180 nan 0.000 0.535 277 I N 0.132 120.793 120.570 0.151 0.000 2.286 277 I HA -0.237 3.931 4.170 -0.003 0.000 0.248 277 I C 2.312 178.524 176.117 0.159 0.000 1.115 277 I CA 1.428 62.852 61.300 0.208 0.000 1.392 277 I CB -1.260 36.824 38.000 0.140 0.000 1.065 277 I HN 0.038 nan 8.210 nan 0.000 0.418 278 R N 0.807 121.311 120.500 0.006 0.000 2.073 278 R HA -0.042 4.296 4.340 -0.003 0.000 0.229 278 R C 2.317 178.720 176.300 0.171 0.000 1.120 278 R CA 0.836 56.910 56.100 -0.043 0.000 0.967 278 R CB -0.455 29.776 30.300 -0.115 0.000 0.862 278 R HN 0.419 nan 8.270 nan 0.000 0.436 279 R N 0.332 120.842 120.500 0.016 0.000 2.091 279 R HA -0.065 4.273 4.340 -0.003 0.000 0.238 279 R C 2.445 178.741 176.300 -0.006 0.000 1.136 279 R CA 1.156 57.202 56.100 -0.091 0.000 0.959 279 R CB -0.438 29.537 30.300 -0.541 0.000 0.856 279 R HN 0.156 nan 8.270 nan 0.000 0.437 280 L N 0.535 121.734 121.223 -0.039 0.000 2.093 280 L HA -0.145 4.194 4.340 -0.003 0.000 0.208 280 L C 2.632 179.382 176.870 -0.201 0.000 1.085 280 L CA 1.147 55.865 54.840 -0.203 0.000 0.755 280 L CB -0.314 41.441 42.059 -0.508 0.000 0.904 280 L HN 0.281 nan 8.230 nan 0.000 0.435 281 E N 0.317 120.542 120.200 0.041 0.000 2.051 281 E HA -0.308 4.040 4.350 -0.003 0.000 0.192 281 E C 2.120 178.810 176.600 0.150 0.000 0.991 281 E CA 1.429 57.966 56.400 0.228 0.000 0.799 281 E CB 0.162 30.004 29.700 0.236 0.000 0.748 281 E HN 0.113 nan 8.360 nan 0.000 0.449 282 K N 0.690 121.189 120.400 0.166 0.000 2.025 282 K HA -0.037 4.281 4.320 -0.003 0.000 0.207 282 K C 1.805 178.445 176.600 0.066 0.000 1.049 282 K CA 1.491 57.871 56.287 0.156 0.000 0.933 282 K CB -0.599 32.044 32.500 0.238 0.000 0.714 282 K HN 0.176 nan 8.250 nan 0.000 0.438 283 A N 0.779 123.648 122.820 0.082 0.000 1.908 283 A HA -0.125 4.194 4.320 -0.003 0.000 0.218 283 A C 2.144 179.784 177.584 0.093 0.000 1.181 283 A CA 1.676 53.808 52.037 0.157 0.000 0.627 283 A CB -0.760 18.367 19.000 0.211 0.000 0.818 283 A HN 0.339 nan 8.150 nan 0.000 0.445 284 L N -0.813 120.434 121.223 0.041 0.000 2.456 284 L HA -0.123 4.215 4.340 -0.003 0.000 0.224 284 L C 2.190 179.070 176.870 0.016 0.000 1.148 284 L CA 0.951 55.812 54.840 0.035 0.000 0.825 284 L CB -0.430 41.644 42.059 0.026 0.000 0.937 284 L HN 0.508 nan 8.230 nan 0.000 0.450 285 E N -0.168 120.035 120.200 0.005 0.000 2.318 285 E HA -0.028 4.320 4.350 -0.003 0.000 0.193 285 E C 2.041 178.620 176.600 -0.036 0.000 0.998 285 E CA 0.559 56.974 56.400 0.025 0.000 0.859 285 E CB 0.295 30.046 29.700 0.085 0.000 0.812 285 E HN 0.513 nan 8.360 nan 0.000 0.492 286 L N -0.707 120.357 121.223 -0.265 0.000 2.425 286 L HA 0.225 4.564 4.340 -0.003 0.000 0.215 286 L C 0.462 177.007 176.870 -0.542 0.000 1.065 286 L CA 0.214 54.758 54.840 -0.493 0.000 0.842 286 L CB 0.160 41.417 42.059 -1.336 0.000 1.033 286 L HN -0.039 nan 8.230 nan 0.000 0.474 287 F N -2.342 117.636 119.950 0.047 0.000 2.654 287 F HA 0.373 4.897 4.527 -0.004 0.000 0.334 287 F C 1.048 176.723 175.800 -0.208 0.000 1.078 287 F CA -0.854 57.122 58.000 -0.039 0.000 0.986 287 F CB 0.953 39.972 39.000 0.031 0.000 1.362 287 F HN -0.232 nan 8.300 nan 0.000 0.498 288 H N -0.432 118.844 119.070 0.342 0.000 2.553 288 H HA 0.457 5.011 4.556 -0.003 0.000 0.276 288 H C -0.566 174.884 175.328 0.203 0.000 0.979 288 H CA 0.511 56.692 56.048 0.222 0.000 1.268 288 H CB 0.516 30.385 29.762 0.179 0.000 1.450 288 H HN 0.166 nan 8.280 nan 0.000 0.527 289 L N 0.269 121.676 121.223 0.306 0.000 2.434 289 L HA 0.499 4.838 4.340 -0.003 0.000 0.260 289 L C -1.434 175.510 176.870 0.124 0.000 0.983 289 L CA -1.031 53.926 54.840 0.195 0.000 0.820 289 L CB 3.505 45.676 42.059 0.188 0.000 1.361 289 L HN -0.118 nan 8.230 nan 0.000 0.410 290 V N 2.874 122.826 119.914 0.064 0.000 2.577 290 V HA 0.532 4.650 4.120 -0.003 0.000 0.303 290 V C -0.785 175.312 176.094 0.005 0.000 1.042 290 V CA -0.441 61.848 62.300 -0.018 0.000 0.872 290 V CB 2.209 34.053 31.823 0.035 0.000 0.998 290 V HN 0.790 nan 8.190 nan 0.000 0.423 291 R N 5.754 126.235 120.500 -0.033 0.000 2.368 291 R HA 0.639 4.978 4.340 -0.003 0.000 0.302 291 R C -1.095 175.257 176.300 0.087 0.000 1.002 291 R CA -0.576 55.543 56.100 0.031 0.000 0.929 291 R CB 1.222 31.535 30.300 0.021 0.000 1.073 291 R HN 0.758 nan 8.270 nan 0.000 0.464 292 I N 3.457 124.136 120.570 0.183 0.000 2.362 292 I HA 0.113 4.281 4.170 -0.003 0.000 0.289 292 I C -0.158 176.107 176.117 0.246 0.000 0.994 292 I CA -0.892 60.570 61.300 0.270 0.000 1.158 292 I CB 1.621 39.909 38.000 0.480 0.000 1.315 292 I HN 0.636 nan 8.210 nan 0.000 0.451 293 D N 5.608 126.130 120.400 0.202 0.000 2.443 293 D HA -0.103 4.535 4.640 -0.003 0.000 0.239 293 D C 0.677 177.102 176.300 0.209 0.000 1.136 293 D CA 0.688 54.796 54.000 0.180 0.000 0.879 293 D CB 0.389 41.289 40.800 0.167 0.000 1.195 293 D HN 0.594 nan 8.370 nan 0.000 0.443 294 H N 2.438 121.574 119.070 0.111 0.000 2.604 294 H HA -0.275 4.279 4.556 -0.002 0.000 0.321 294 H C 0.334 175.726 175.328 0.108 0.000 1.132 294 H CA 0.719 56.868 56.048 0.168 0.000 1.129 294 H CB -1.839 28.078 29.762 0.258 0.000 1.526 294 H HN 0.498 nan 8.280 nan 0.000 0.415 295 F N 1.763 121.667 119.950 -0.077 0.000 2.192 295 F HA -0.258 4.266 4.527 -0.004 0.000 0.301 295 F C 2.378 178.088 175.800 -0.151 0.000 1.079 295 F CA 1.988 59.943 58.000 -0.076 0.000 1.303 295 F CB -0.116 38.917 39.000 0.055 0.000 1.024 295 F HN 0.537 nan 8.300 nan 0.000 0.494 296 R N 0.447 120.835 120.500 -0.186 0.000 2.200 296 R HA -0.041 4.297 4.340 -0.003 0.000 0.234 296 R C 2.162 178.278 176.300 -0.307 0.000 1.127 296 R CA 1.466 57.434 56.100 -0.219 0.000 0.989 296 R CB -2.036 28.203 30.300 -0.101 0.000 0.869 296 R HN 0.245 nan 8.270 nan 0.000 0.459 297 G N -0.576 107.932 108.800 -0.486 0.000 2.586 297 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.215 297 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.215 297 G C 0.890 175.685 174.900 -0.176 0.000 1.128 297 G CA 0.342 45.362 45.100 -0.134 0.000 0.774 297 G HN 0.423 nan 8.290 nan 0.000 0.543 298 F N -0.539 119.187 119.950 -0.373 0.000 2.569 298 F HA 0.163 4.690 4.527 -0.000 0.000 0.295 298 F C 2.525 178.050 175.800 -0.460 0.000 1.115 298 F CA 0.567 58.251 58.000 -0.526 0.000 1.450 298 F CB 0.485 39.023 39.000 -0.769 0.000 1.107 298 F HN 0.144 nan 8.300 nan 0.000 0.563 299 E N 0.771 120.867 120.200 -0.173 0.000 2.201 299 E HA 0.240 4.588 4.350 -0.003 0.000 0.193 299 E C -0.059 176.494 176.600 -0.077 0.000 0.957 299 E CA 0.645 56.958 56.400 -0.146 0.000 0.858 299 E CB 0.678 30.292 29.700 -0.143 0.000 0.816 299 E HN 0.138 nan 8.360 nan 0.000 0.475 300 A N 0.047 122.877 122.820 0.017 0.000 2.594 300 A HA 0.521 4.839 4.320 -0.003 0.000 0.296 300 A C -1.756 176.114 177.584 0.476 0.000 1.056 300 A CA -0.708 51.408 52.037 0.131 0.000 0.693 300 A CB 0.476 19.464 19.000 -0.020 0.000 1.278 300 A HN 0.234 nan 8.150 nan 0.000 0.408 301 Y N -1.148 119.508 120.300 0.593 0.000 2.545 301 Y HA 0.750 5.298 4.550 -0.004 0.000 0.348 301 Y C -0.636 175.555 175.900 0.486 0.000 1.002 301 Y CA -1.750 56.764 58.100 0.689 0.000 1.039 301 Y CB 1.250 40.103 38.460 0.655 0.000 1.271 301 Y HN 0.820 nan 8.280 nan 0.000 0.467 302 W N 5.150 126.482 121.300 0.053 0.000 2.416 302 W HA 0.283 4.941 4.660 -0.004 0.000 0.318 302 W C -0.716 175.705 176.519 -0.163 0.000 1.150 302 W CA -0.228 56.826 57.345 -0.485 0.000 1.392 302 W CB 1.004 29.974 29.460 -0.817 0.000 1.311 302 W HN 0.902 nan 8.180 nan 0.000 0.436 303 E N 6.300 126.166 120.200 -0.557 0.000 2.194 303 E HA 0.270 4.618 4.350 -0.003 0.000 0.284 303 E C -0.911 175.300 176.600 -0.648 0.000 1.035 303 E CA -0.266 55.901 56.400 -0.389 0.000 0.836 303 E CB 0.698 30.247 29.700 -0.253 0.000 1.070 303 E HN 0.460 nan 8.360 nan 0.000 0.401 304 I N 6.267 126.592 120.570 -0.410 0.000 2.433 304 I HA 0.290 4.458 4.170 -0.003 0.000 0.292 304 I C -2.247 173.740 176.117 -0.217 0.000 1.001 304 I CA -2.881 58.218 61.300 -0.336 0.000 1.119 304 I CB 1.987 39.856 38.000 -0.219 0.000 1.289 304 I HN 0.403 nan 8.210 nan 0.000 0.438 305 P HA 0.028 nan 4.420 nan 0.000 0.265 305 P C 0.547 177.787 177.300 -0.099 0.000 1.222 305 P CA 0.093 63.115 63.100 -0.131 0.000 0.767 305 P CB 0.983 32.614 31.700 -0.115 0.000 0.801 306 A N 3.498 126.267 122.820 -0.085 0.000 2.042 306 A HA -0.224 4.094 4.320 -0.003 0.000 0.222 306 A C 2.153 179.704 177.584 -0.056 0.000 1.167 306 A CA 2.117 54.114 52.037 -0.067 0.000 0.649 306 A CB -1.240 17.727 19.000 -0.055 0.000 0.809 306 A HN 0.474 nan 8.150 nan 0.000 0.457 307 S N -1.517 114.151 115.700 -0.054 0.000 2.428 307 S HA -0.042 4.426 4.470 -0.003 0.000 0.230 307 S C 0.798 175.373 174.600 -0.042 0.000 1.014 307 S CA 0.426 58.599 58.200 -0.045 0.000 0.957 307 S CB -0.508 62.667 63.200 -0.042 0.000 0.784 307 S HN 0.636 nan 8.310 nan 0.000 0.499 308 C N 2.696 121.968 119.300 -0.048 0.000 2.601 308 C HA 0.278 4.737 4.460 -0.003 0.000 0.409 308 C C -1.050 173.920 174.990 -0.034 0.000 1.293 308 C CA -1.284 57.709 59.018 -0.041 0.000 2.101 308 C CB 0.533 28.245 27.740 -0.046 0.000 2.639 308 C HN 0.353 nan 8.230 nan 0.000 0.592 309 P HA 0.031 nan 4.420 nan 0.000 0.235 309 P C 0.660 177.952 177.300 -0.015 0.000 1.177 309 P CA 0.928 64.018 63.100 -0.017 0.000 0.785 309 P CB 0.122 31.813 31.700 -0.015 0.000 0.885 310 T N -4.521 110.022 114.554 -0.018 0.000 2.804 310 T HA 0.703 5.051 4.350 -0.003 0.000 0.272 310 T C 0.827 175.523 174.700 -0.006 0.000 0.986 310 T CA -0.306 61.785 62.100 -0.015 0.000 0.999 310 T CB 1.287 70.145 68.868 -0.017 0.000 1.307 310 T HN -0.172 nan 8.240 nan 0.000 0.586 311 A N -0.377 122.451 122.820 0.014 0.000 2.382 311 A HA 0.481 4.800 4.320 -0.003 0.000 0.228 311 A C 2.021 179.726 177.584 0.202 0.000 1.217 311 A CA 0.076 52.178 52.037 0.107 0.000 0.923 311 A CB -0.550 18.492 19.000 0.071 0.000 0.979 311 A HN 0.599 nan 8.150 nan 0.000 0.515 312 V N 1.095 121.059 119.914 0.082 0.000 2.439 312 V HA -0.275 3.844 4.120 -0.003 0.000 0.253 312 V C 1.375 177.547 176.094 0.130 0.000 1.074 312 V CA 2.281 64.632 62.300 0.085 0.000 1.076 312 V CB -0.722 31.115 31.823 0.022 0.000 0.664 312 V HN 0.691 nan 8.190 nan 0.000 0.461 313 E N 0.020 120.256 120.200 0.060 0.000 2.338 313 E HA 0.372 4.721 4.350 -0.003 0.000 0.231 313 E C 0.680 177.188 176.600 -0.153 0.000 1.231 313 E CA 0.057 56.446 56.400 -0.018 0.000 1.490 313 E CB 0.285 29.956 29.700 -0.048 0.000 1.360 313 E HN 0.586 nan 8.360 nan 0.000 0.435 314 G N 1.473 110.144 108.800 -0.215 0.000 2.642 314 G HA2 0.663 4.621 3.960 -0.003 0.000 0.291 314 G HA3 0.663 4.621 3.960 -0.003 0.000 0.291 314 G C -0.491 173.537 174.900 -1.453 0.000 1.345 314 G CA -0.826 43.645 45.100 -1.049 0.000 1.043 314 G HN 0.266 nan 8.290 nan 0.000 0.528 315 R N -2.183 117.168 120.500 -1.914 0.000 2.629 315 R HA 0.315 4.653 4.340 -0.003 0.000 0.266 315 R C -1.976 173.841 176.300 -0.805 0.000 1.051 315 R CA -0.996 54.455 56.100 -1.082 0.000 0.895 315 R CB 0.953 30.974 30.300 -0.465 0.000 1.246 315 R HN 0.496 nan 8.270 nan 0.000 0.459 316 W N 1.975 123.195 121.300 -0.134 0.000 2.266 316 W HA 0.470 5.129 4.660 -0.002 0.000 0.317 316 W C -0.340 176.059 176.519 -0.200 0.000 1.310 316 W CA -0.354 56.984 57.345 -0.013 0.000 1.207 316 W CB 1.574 31.111 29.460 0.129 0.000 1.199 316 W HN 0.185 nan 8.180 nan 0.000 0.544 317 V N 5.232 125.071 119.914 -0.125 0.000 2.531 317 V HA 0.263 4.381 4.120 -0.003 0.000 0.301 317 V C 0.134 176.031 176.094 -0.327 0.000 1.034 317 V CA -1.626 60.470 62.300 -0.340 0.000 0.865 317 V CB 1.291 32.719 31.823 -0.660 0.000 0.995 317 V HN 0.297 nan 8.190 nan 0.000 0.424 318 K N 2.902 123.237 120.400 -0.108 0.000 2.295 318 K HA 0.692 5.011 4.320 -0.003 0.000 0.270 318 K C 0.036 176.625 176.600 -0.018 0.000 1.011 318 K CA 0.080 56.335 56.287 -0.055 0.000 0.953 318 K CB 1.661 34.143 32.500 -0.031 0.000 0.956 318 K HN 0.856 nan 8.250 nan 0.000 0.477 319 A N 3.317 126.091 122.820 -0.077 0.000 2.380 319 A HA 0.502 4.820 4.320 -0.003 0.000 0.315 319 A C -2.305 175.066 177.584 -0.356 0.000 1.101 319 A CA -1.442 50.406 52.037 -0.316 0.000 0.771 319 A CB 1.268 19.927 19.000 -0.567 0.000 1.287 319 A HN 0.460 nan 8.150 nan 0.000 0.436 320 P HA 0.104 nan 4.420 nan 0.000 0.228 320 P C 1.066 178.142 177.300 -0.374 0.000 1.748 320 P CA 0.423 63.388 63.100 -0.224 0.000 0.909 320 P CB -0.094 31.631 31.700 0.043 0.000 1.882 321 G N 1.912 110.474 108.800 -0.396 0.000 2.476 321 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.218 321 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.218 321 G C 1.481 176.217 174.900 -0.273 0.000 1.164 321 G CA 0.812 45.678 45.100 -0.389 0.000 0.768 321 G HN 0.335 nan 8.290 nan 0.000 0.560 322 E N 0.888 120.998 120.200 -0.150 0.000 2.058 322 E HA -0.130 4.218 4.350 -0.003 0.000 0.194 322 E C 2.427 179.013 176.600 -0.023 0.000 0.997 322 E CA 1.615 58.013 56.400 -0.003 0.000 0.801 322 E CB -0.253 29.472 29.700 0.041 0.000 0.746 322 E HN 0.476 nan 8.360 nan 0.000 0.450 323 K N -0.346 120.008 120.400 -0.077 0.000 2.097 323 K HA -0.102 4.217 4.320 -0.003 0.000 0.205 323 K C 2.176 178.588 176.600 -0.313 0.000 1.050 323 K CA 1.045 57.311 56.287 -0.035 0.000 0.938 323 K CB -0.298 32.298 32.500 0.159 0.000 0.718 323 K HN 0.151 nan 8.250 nan 0.000 0.442 324 L N 0.681 121.441 121.223 -0.772 0.000 1.970 324 L HA -0.146 4.192 4.340 -0.003 0.000 0.212 324 L C 1.921 178.269 176.870 -0.869 0.000 1.071 324 L CA 1.793 55.853 54.840 -1.300 0.000 0.751 324 L CB -0.663 40.575 42.059 -1.369 0.000 0.889 324 L HN 0.014 nan 8.230 nan 0.000 0.432 325 F N -0.311 119.135 119.950 -0.840 0.000 2.269 325 F HA -0.181 4.342 4.527 -0.005 0.000 0.301 325 F C 2.579 178.053 175.800 -0.543 0.000 1.082 325 F CA 1.175 58.616 58.000 -0.931 0.000 1.360 325 F CB -0.471 37.503 39.000 -1.710 0.000 1.041 325 F HN 0.252 nan 8.300 nan 0.000 0.512 326 Q N 0.048 119.795 119.800 -0.088 0.000 2.119 326 Q HA -0.182 4.156 4.340 -0.003 0.000 0.201 326 Q C 2.211 178.244 176.000 0.056 0.000 0.972 326 Q CA 1.128 57.032 55.803 0.167 0.000 0.847 326 Q CB -0.301 28.541 28.738 0.173 0.000 0.903 326 Q HN 0.260 nan 8.270 nan 0.000 0.433 327 K N 1.082 121.453 120.400 -0.048 0.000 2.025 327 K HA -0.021 4.297 4.320 -0.003 0.000 0.207 327 K C 1.995 178.590 176.600 -0.009 0.000 1.049 327 K CA 0.830 57.115 56.287 -0.003 0.000 0.933 327 K CB -0.391 32.135 32.500 0.042 0.000 0.714 327 K HN 0.094 nan 8.250 nan 0.000 0.438 328 I N 0.715 121.216 120.570 -0.116 0.000 2.194 328 I HA -0.356 3.812 4.170 -0.003 0.000 0.246 328 I C 2.647 178.863 176.117 0.165 0.000 1.093 328 I CA 1.658 62.961 61.300 0.006 0.000 1.355 328 I CB -0.297 37.493 38.000 -0.349 0.000 1.046 328 I HN 0.406 nan 8.210 nan 0.000 0.413 329 Q N 0.837 120.697 119.800 0.100 0.000 2.119 329 Q HA -0.223 4.115 4.340 -0.003 0.000 0.201 329 Q C 1.994 178.069 176.000 0.126 0.000 0.972 329 Q CA 1.469 57.375 55.803 0.172 0.000 0.847 329 Q CB 0.110 29.004 28.738 0.259 0.000 0.903 329 Q HN 0.527 nan 8.270 nan 0.000 0.433 330 E N -0.534 119.715 120.200 0.081 0.000 2.007 330 E HA -0.189 4.159 4.350 -0.003 0.000 0.194 330 E C 2.092 178.674 176.600 -0.029 0.000 0.999 330 E CA 1.682 58.100 56.400 0.031 0.000 0.811 330 E CB -0.066 29.645 29.700 0.018 0.000 0.762 330 E HN 0.182 nan 8.360 nan 0.000 0.450 331 V N 0.637 120.493 119.914 -0.097 0.000 2.255 331 V HA -0.255 3.863 4.120 -0.003 0.000 0.247 331 V C 1.928 177.742 176.094 -0.467 0.000 1.051 331 V CA 1.908 63.995 62.300 -0.356 0.000 1.018 331 V CB -0.517 30.933 31.823 -0.621 0.000 0.641 331 V HN 0.214 nan 8.190 nan 0.000 0.445 332 F N 0.284 120.229 119.950 -0.007 0.000 2.749 332 F HA 0.454 4.979 4.527 -0.003 0.000 0.300 332 F C 1.891 177.706 175.800 0.024 0.000 1.103 332 F CA 0.522 58.527 58.000 0.008 0.000 1.342 332 F CB -0.644 38.360 39.000 0.007 0.000 1.098 332 F HN 0.256 nan 8.300 nan 0.000 0.586 333 G N 1.403 110.296 108.800 0.155 0.000 2.233 333 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.270 333 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.270 333 G C -0.023 174.959 174.900 0.136 0.000 1.011 333 G CA 0.790 45.960 45.100 0.117 0.000 0.762 333 G HN 0.576 nan 8.290 nan 0.000 0.511 334 E N -2.847 117.458 120.200 0.175 0.000 2.419 334 E HA 0.414 4.762 4.350 -0.003 0.000 0.285 334 E C -1.244 175.444 176.600 0.147 0.000 1.079 334 E CA -1.046 55.443 56.400 0.149 0.000 0.864 334 E CB 0.921 30.699 29.700 0.129 0.000 1.216 334 E HN 0.463 nan 8.360 nan 0.000 0.428 335 V N 2.661 122.659 119.914 0.139 0.000 2.235 335 V HA 0.337 4.456 4.120 -0.003 0.000 0.266 335 V C -1.995 174.154 176.094 0.091 0.000 1.055 335 V CA -1.199 61.175 62.300 0.122 0.000 0.844 335 V CB 0.783 32.741 31.823 0.224 0.000 1.097 335 V HN 0.577 nan 8.190 nan 0.000 0.453 336 P HA 0.214 nan 4.420 nan 0.000 0.218 336 P C -0.400 176.935 177.300 0.057 0.000 1.793 336 P CA 0.165 63.304 63.100 0.065 0.000 0.941 336 P CB 0.695 32.440 31.700 0.075 0.000 1.919 337 V N 2.271 122.221 119.914 0.060 0.000 2.680 337 V HA 0.372 4.490 4.120 -0.003 0.000 0.309 337 V C 0.344 176.441 176.094 0.006 0.000 1.052 337 V CA -0.882 61.457 62.300 0.065 0.000 0.908 337 V CB 2.653 34.568 31.823 0.153 0.000 1.001 337 V HN 0.156 nan 8.190 nan 0.000 0.431 338 L N 3.696 124.919 121.223 0.001 0.000 2.296 338 L HA 0.759 5.098 4.340 -0.003 0.000 0.286 338 L C 0.331 177.155 176.870 -0.077 0.000 1.023 338 L CA -0.558 54.253 54.840 -0.049 0.000 0.812 338 L CB 1.697 43.750 42.059 -0.011 0.000 1.223 338 L HN 0.748 nan 8.230 nan 0.000 0.421 339 A N 2.797 125.477 122.820 -0.232 0.000 2.289 339 A HA 0.269 4.587 4.320 -0.003 0.000 0.298 339 A C 0.080 177.596 177.584 -0.114 0.000 1.208 339 A CA -0.394 51.433 52.037 -0.351 0.000 0.845 339 A CB 0.580 18.917 19.000 -1.104 0.000 1.125 339 A HN 0.687 nan 8.150 nan 0.000 0.517 340 E N 3.215 123.446 120.200 0.051 0.000 1.861 340 E HA 0.039 4.387 4.350 -0.003 0.000 0.263 340 E C -0.867 175.811 176.600 0.130 0.000 1.137 340 E CA -0.294 56.155 56.400 0.081 0.000 0.944 340 E CB 0.223 29.992 29.700 0.114 0.000 1.092 340 E HN 0.616 nan 8.360 nan 0.000 0.420 341 D N 4.657 125.106 120.400 0.083 0.000 3.071 341 D HA 0.112 4.750 4.640 -0.003 0.000 0.259 341 D C 0.401 176.794 176.300 0.155 0.000 1.331 341 D CA -0.372 53.700 54.000 0.120 0.000 0.861 341 D CB -0.319 40.510 40.800 0.048 0.000 1.059 341 D HN 0.263 nan 8.370 nan 0.000 0.486 342 L N 0.038 121.370 121.223 0.183 0.000 2.439 342 L HA 0.572 4.910 4.340 -0.003 0.000 0.259 342 L C 1.486 178.503 176.870 0.245 0.000 1.129 342 L CA 0.189 55.176 54.840 0.246 0.000 0.803 342 L CB 0.773 42.949 42.059 0.195 0.000 1.161 342 L HN 0.411 nan 8.230 nan 0.000 0.462 343 G N 0.374 109.335 108.800 0.269 0.000 2.642 343 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.231 343 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.231 343 G C -0.588 174.419 174.900 0.180 0.000 1.338 343 G CA -0.625 44.606 45.100 0.218 0.000 0.883 343 G HN 0.476 nan 8.290 nan 0.000 0.570 344 V N 2.401 122.411 119.914 0.161 0.000 2.403 344 V HA 0.421 4.539 4.120 -0.003 0.000 0.265 344 V C 0.978 177.124 176.094 0.088 0.000 1.034 344 V CA 0.488 62.857 62.300 0.115 0.000 1.036 344 V CB 0.036 31.919 31.823 0.099 0.000 1.032 344 V HN 1.020 nan 8.190 nan 0.000 0.478 345 I N 3.037 123.636 120.570 0.048 0.000 2.689 345 I HA 0.741 4.909 4.170 -0.003 0.000 0.299 345 I C 0.124 176.225 176.117 -0.028 0.000 1.059 345 I CA -0.469 60.840 61.300 0.015 0.000 1.055 345 I CB 1.646 39.674 38.000 0.047 0.000 1.243 345 I HN 0.572 nan 8.210 nan 0.000 0.425 346 T N 1.409 115.922 114.554 -0.068 0.000 2.897 346 T HA 0.554 4.902 4.350 -0.003 0.000 0.278 346 T C -2.090 172.577 174.700 -0.054 0.000 0.981 346 T CA -1.597 60.454 62.100 -0.081 0.000 0.973 346 T CB 1.336 70.121 68.868 -0.139 0.000 1.092 346 T HN 0.484 nan 8.240 nan 0.000 0.543 347 P HA 0.043 nan 4.420 nan 0.000 0.221 347 P C 1.103 178.381 177.300 -0.038 0.000 1.150 347 P CA 0.719 63.795 63.100 -0.039 0.000 0.800 347 P CB 0.066 31.743 31.700 -0.038 0.000 0.787 348 E N -0.730 119.438 120.200 -0.054 0.000 2.072 348 E HA -0.114 4.234 4.350 -0.003 0.000 0.191 348 E C 2.000 178.580 176.600 -0.034 0.000 0.985 348 E CA 0.947 57.315 56.400 -0.053 0.000 0.801 348 E CB -1.309 28.343 29.700 -0.081 0.000 0.750 348 E HN 0.002 nan 8.360 nan 0.000 0.452 349 V N 1.324 121.219 119.914 -0.030 0.000 2.295 349 V HA -0.289 3.829 4.120 -0.003 0.000 0.246 349 V C 1.973 178.111 176.094 0.073 0.000 1.049 349 V CA 2.118 64.435 62.300 0.029 0.000 1.024 349 V CB -0.567 31.279 31.823 0.039 0.000 0.648 349 V HN 0.282 nan 8.190 nan 0.000 0.447 350 E N 0.523 120.739 120.200 0.027 0.000 2.085 350 E HA -0.237 4.112 4.350 -0.003 0.000 0.194 350 E C 2.327 178.930 176.600 0.005 0.000 0.994 350 E CA 1.408 57.815 56.400 0.012 0.000 0.801 350 E CB -0.398 29.298 29.700 -0.007 0.000 0.743 350 E HN 0.610 nan 8.360 nan 0.000 0.453 351 A N 1.256 124.076 122.820 -0.001 0.000 1.902 351 A HA -0.174 4.144 4.320 -0.003 0.000 0.217 351 A C 2.186 179.773 177.584 0.005 0.000 1.181 351 A CA 1.130 53.160 52.037 -0.011 0.000 0.623 351 A CB -0.517 18.471 19.000 -0.020 0.000 0.818 351 A HN 0.222 nan 8.150 nan 0.000 0.443 352 L N -0.145 121.099 121.223 0.035 0.000 2.027 352 L HA -0.107 4.232 4.340 -0.003 0.000 0.206 352 L C 2.452 179.385 176.870 0.106 0.000 1.074 352 L CA 2.392 57.277 54.840 0.075 0.000 0.745 352 L CB -0.639 41.432 42.059 0.020 0.000 0.898 352 L HN 0.475 nan 8.230 nan 0.000 0.433 353 R N -0.462 120.088 120.500 0.084 0.000 2.082 353 R HA -0.180 4.158 4.340 -0.003 0.000 0.234 353 R C 1.795 178.041 176.300 -0.090 0.000 1.136 353 R CA 2.130 58.175 56.100 -0.092 0.000 0.935 353 R CB -0.457 29.743 30.300 -0.165 0.000 0.842 353 R HN 0.440 nan 8.270 nan 0.000 0.430 354 D N -0.245 120.116 120.400 -0.065 0.000 2.269 354 D HA -0.128 4.510 4.640 -0.003 0.000 0.208 354 D C 1.877 178.112 176.300 -0.109 0.000 0.963 354 D CA 0.628 54.574 54.000 -0.090 0.000 0.864 354 D CB -0.250 40.512 40.800 -0.063 0.000 0.936 354 D HN 0.288 nan 8.370 nan 0.000 0.505 355 R N -0.224 120.218 120.500 -0.097 0.000 2.096 355 R HA -0.087 4.251 4.340 -0.003 0.000 0.235 355 R C 0.875 176.910 176.300 -0.441 0.000 1.127 355 R CA 0.967 56.919 56.100 -0.246 0.000 0.968 355 R CB -0.073 30.090 30.300 -0.229 0.000 0.861 355 R HN 0.097 nan 8.270 nan 0.000 0.440 356 F N -0.358 119.511 119.950 -0.135 0.000 2.684 356 F HA 0.341 4.868 4.527 -0.000 0.000 0.298 356 F C 1.099 176.832 175.800 -0.111 0.000 1.120 356 F CA 0.240 58.176 58.000 -0.107 0.000 1.332 356 F CB 1.029 39.961 39.000 -0.114 0.000 0.986 356 F HN 0.174 nan 8.300 nan 0.000 0.524 357 G N 1.501 110.274 108.800 -0.045 0.000 2.283 357 G HA2 -0.312 3.646 3.960 -0.003 0.000 0.280 357 G HA3 -0.312 3.646 3.960 -0.003 0.000 0.280 357 G C 0.095 174.944 174.900 -0.086 0.000 1.029 357 G CA -0.146 44.900 45.100 -0.091 0.000 0.840 357 G HN 0.345 nan 8.290 nan 0.000 0.505 358 L N 0.284 121.441 121.223 -0.110 0.000 2.319 358 L HA 0.325 4.664 4.340 -0.003 0.000 0.280 358 L C -1.796 174.962 176.870 -0.187 0.000 1.099 358 L CA -2.032 52.709 54.840 -0.166 0.000 0.828 358 L CB 1.021 42.894 42.059 -0.310 0.000 1.150 358 L HN -0.078 nan 8.230 nan 0.000 0.442 359 P HA 0.106 nan 4.420 nan 0.000 0.271 359 P C 0.067 177.283 177.300 -0.140 0.000 1.216 359 P CA -0.069 62.961 63.100 -0.117 0.000 0.776 359 P CB 1.027 32.671 31.700 -0.093 0.000 0.881 360 G N 2.164 110.900 108.800 -0.107 0.000 2.583 360 G HA2 0.672 4.630 3.960 -0.003 0.000 0.280 360 G HA3 0.672 4.630 3.960 -0.003 0.000 0.280 360 G C -0.801 174.067 174.900 -0.053 0.000 1.376 360 G CA -0.698 44.343 45.100 -0.099 0.000 1.043 360 G HN 0.353 nan 8.290 nan 0.000 0.538 361 M N -0.340 119.256 119.600 -0.007 0.000 2.591 361 M HA 0.480 4.958 4.480 -0.003 0.000 0.306 361 M C -0.946 175.396 176.300 0.069 0.000 1.190 361 M CA -0.820 54.510 55.300 0.051 0.000 0.889 361 M CB 2.775 35.413 32.600 0.063 0.000 1.728 361 M HN 0.151 nan 8.290 nan 0.000 0.458 362 K N 1.988 122.406 120.400 0.031 0.000 2.482 362 K HA 0.637 4.955 4.320 -0.003 0.000 0.251 362 K C -1.697 174.833 176.600 -0.117 0.000 0.936 362 K CA -0.605 55.712 56.287 0.050 0.000 0.791 362 K CB 2.549 34.885 32.500 -0.274 0.000 1.213 362 K HN 0.493 nan 8.250 nan 0.000 0.428 363 V N 4.761 124.359 119.914 -0.528 0.000 2.407 363 V HA 0.247 4.365 4.120 -0.003 0.000 0.291 363 V C 1.527 177.191 176.094 -0.718 0.000 1.018 363 V CA -0.594 61.282 62.300 -0.706 0.000 0.842 363 V CB 1.332 32.460 31.823 -1.159 0.000 0.996 363 V HN 0.691 nan 8.190 nan 0.000 0.426 364 L N 2.453 123.408 121.223 -0.447 0.000 2.191 364 L HA -0.153 4.185 4.340 -0.003 0.000 0.212 364 L C 2.400 178.943 176.870 -0.545 0.000 1.103 364 L CA 1.425 56.031 54.840 -0.391 0.000 0.769 364 L CB -0.213 41.729 42.059 -0.196 0.000 0.908 364 L HN 0.732 nan 8.230 nan 0.000 0.438 365 Q N -0.416 118.884 119.800 -0.834 0.000 2.291 365 Q HA -0.142 4.196 4.340 -0.003 0.000 0.206 365 Q C 1.619 177.331 176.000 -0.479 0.000 0.976 365 Q CA 1.336 56.410 55.803 -1.215 0.000 0.875 365 Q CB 0.000 27.887 28.738 -1.418 0.000 0.927 365 Q HN 0.585 nan 8.270 nan 0.000 0.450 366 F N -1.542 118.118 119.950 -0.484 0.000 2.693 366 F HA 0.277 4.803 4.527 -0.003 0.000 0.303 366 F C 1.632 177.371 175.800 -0.102 0.000 1.097 366 F CA -0.561 57.295 58.000 -0.241 0.000 1.330 366 F CB 0.420 39.194 39.000 -0.378 0.000 1.067 366 F HN 0.016 nan 8.300 nan 0.000 0.565 367 A N -0.475 122.214 122.820 -0.218 0.000 2.218 367 A HA 0.131 4.449 4.320 -0.003 0.000 0.209 367 A C 0.848 178.052 177.584 -0.633 0.000 1.168 367 A CA 0.481 52.221 52.037 -0.495 0.000 0.804 367 A CB -0.670 17.770 19.000 -0.933 0.000 0.834 367 A HN 0.408 nan 8.150 nan 0.000 0.482 368 F N -0.164 119.930 119.950 0.240 0.000 2.683 368 F HA 0.147 4.673 4.527 -0.002 0.000 0.306 368 F C 0.975 177.042 175.800 0.445 0.000 1.102 368 F CA -0.298 57.922 58.000 0.366 0.000 1.244 368 F CB 0.550 39.674 39.000 0.208 0.000 1.029 368 F HN 0.254 nan 8.300 nan 0.000 0.545 369 D N -0.938 119.742 120.400 0.467 0.000 2.340 369 D HA 0.022 4.660 4.640 -0.003 0.000 0.220 369 D C 0.499 176.996 176.300 0.327 0.000 1.039 369 D CA 0.519 54.756 54.000 0.395 0.000 0.866 369 D CB 0.177 41.131 40.800 0.257 0.000 0.913 369 D HN 0.412 nan 8.370 nan 0.000 0.523 370 D N -1.085 119.517 120.400 0.336 0.000 3.849 370 D HA 0.480 5.118 4.640 -0.003 0.000 0.211 370 D C 0.197 176.550 176.300 0.089 0.000 1.481 370 D CA -0.216 53.884 54.000 0.166 0.000 1.143 370 D CB 0.617 41.471 40.800 0.090 0.000 1.306 370 D HN -0.006 nan 8.370 nan 0.000 0.569 371 G N -0.577 108.240 108.800 0.027 0.000 3.016 371 G HA2 0.366 4.325 3.960 -0.003 0.000 0.270 371 G HA3 0.366 4.325 3.960 -0.003 0.000 0.270 371 G C 0.451 175.422 174.900 0.118 0.000 1.352 371 G CA -0.406 44.658 45.100 -0.060 0.000 1.060 371 G HN 0.350 nan 8.290 nan 0.000 0.538 372 M N -0.216 119.492 119.600 0.180 0.000 2.549 372 M HA 0.004 4.483 4.480 -0.003 0.000 0.260 372 M C 1.610 178.098 176.300 0.313 0.000 1.076 372 M CA 0.934 56.477 55.300 0.405 0.000 1.090 372 M CB -0.832 32.000 32.600 0.386 0.000 1.418 372 M HN 0.596 nan 8.290 nan 0.000 0.486 373 E N -0.171 120.122 120.200 0.154 0.000 2.502 373 E HA 0.029 4.377 4.350 -0.003 0.000 0.194 373 E C 0.548 177.147 176.600 -0.003 0.000 1.062 373 E CA -0.161 56.279 56.400 0.066 0.000 0.867 373 E CB -0.417 29.306 29.700 0.039 0.000 0.888 373 E HN 0.249 nan 8.360 nan 0.000 0.510 374 N N 2.736 121.449 118.700 0.023 0.000 2.440 374 N HA -0.025 4.713 4.740 -0.003 0.000 0.265 374 N C -1.454 173.975 175.510 -0.134 0.000 1.239 374 N CA -1.230 51.800 53.050 -0.032 0.000 0.909 374 N CB 0.949 39.459 38.487 0.038 0.000 1.066 374 N HN -0.039 nan 8.380 nan 0.000 0.474 375 P HA -0.111 nan 4.420 nan 0.000 0.228 375 P C 0.783 177.943 177.300 -0.234 0.000 1.151 375 P CA 1.126 64.047 63.100 -0.299 0.000 0.770 375 P CB -0.063 31.380 31.700 -0.428 0.000 0.786 376 F N -0.770 119.177 119.950 -0.005 0.000 2.789 376 F HA 0.144 4.670 4.527 -0.003 0.000 0.300 376 F C 1.468 177.241 175.800 -0.044 0.000 1.132 376 F CA -0.418 57.597 58.000 0.026 0.000 1.404 376 F CB -0.031 38.924 39.000 -0.075 0.000 1.114 376 F HN -0.250 nan 8.300 nan 0.000 0.584 377 L N 1.717 122.873 121.223 -0.111 0.000 2.331 377 L HA 0.117 4.455 4.340 -0.003 0.000 0.278 377 L C -1.306 175.233 176.870 -0.552 0.000 1.106 377 L CA -1.759 52.841 54.840 -0.399 0.000 0.824 377 L CB 0.705 42.536 42.059 -0.381 0.000 1.142 377 L HN -0.185 nan 8.230 nan 0.000 0.443 378 P HA -0.266 nan 4.420 nan 0.000 0.218 378 P C 1.311 178.253 177.300 -0.597 0.000 1.154 378 P CA 1.567 63.866 63.100 -1.335 0.000 0.872 378 P CB -0.141 31.012 31.700 -0.912 0.000 0.790 379 H N -2.198 116.868 119.070 -0.006 0.000 2.545 379 H HA 0.061 4.615 4.556 -0.003 0.000 0.282 379 H C 0.790 176.156 175.328 0.063 0.000 1.020 379 H CA 0.918 57.069 56.048 0.172 0.000 1.243 379 H CB -0.881 29.074 29.762 0.321 0.000 1.377 379 H HN 0.165 nan 8.280 nan 0.000 0.581 380 N N 0.339 118.785 118.700 -0.423 0.000 2.236 380 N HA -0.029 4.709 4.740 -0.003 0.000 0.196 380 N C -0.378 175.145 175.510 0.023 0.000 1.114 380 N CA -0.111 52.799 53.050 -0.234 0.000 0.859 380 N CB 0.101 38.404 38.487 -0.308 0.000 0.982 380 N HN 0.180 nan 8.380 nan 0.000 0.493 381 Y N 2.519 122.763 120.300 -0.093 0.000 2.480 381 Y HA 0.136 4.684 4.550 -0.003 0.000 0.338 381 Y C -1.413 174.413 175.900 -0.123 0.000 1.220 381 Y CA -2.748 55.297 58.100 -0.092 0.000 1.430 381 Y CB -0.785 37.645 38.460 -0.051 0.000 1.311 381 Y HN 0.014 nan 8.280 nan 0.000 0.575 382 P HA 0.024 nan 4.420 nan 0.000 0.266 382 P C 0.172 177.298 177.300 -0.290 0.000 1.195 382 P CA 0.306 63.241 63.100 -0.274 0.000 0.768 382 P CB 0.871 32.232 31.700 -0.566 0.000 0.838 383 A N 3.888 126.584 122.820 -0.208 0.000 1.917 383 A HA -0.256 4.063 4.320 -0.003 0.000 0.219 383 A C 1.867 179.413 177.584 -0.063 0.000 1.182 383 A CA 2.303 54.288 52.037 -0.087 0.000 0.633 383 A CB -1.872 17.112 19.000 -0.028 0.000 0.819 383 A HN 0.817 nan 8.150 nan 0.000 0.448 384 H N -2.243 116.845 119.070 0.029 0.000 2.545 384 H HA 0.316 4.871 4.556 -0.002 0.000 0.282 384 H C 1.374 176.713 175.328 0.019 0.000 1.020 384 H CA 0.578 56.636 56.048 0.018 0.000 1.243 384 H CB -1.110 28.652 29.762 0.000 0.000 1.377 384 H HN 0.684 nan 8.280 nan 0.000 0.581 385 G N 0.846 109.666 108.800 0.034 0.000 2.212 385 G HA2 -0.470 3.488 3.960 -0.003 0.000 0.267 385 G HA3 -0.470 3.488 3.960 -0.003 0.000 0.267 385 G C 0.702 175.696 174.900 0.157 0.000 1.002 385 G CA 0.415 45.570 45.100 0.091 0.000 0.729 385 G HN 0.740 nan 8.290 nan 0.000 0.517 386 R N -0.147 120.603 120.500 0.416 0.000 3.710 386 R HA 0.467 4.805 4.340 -0.003 0.000 0.201 386 R C 0.361 176.706 176.300 0.075 0.000 1.641 386 R CA 0.363 56.566 56.100 0.172 0.000 1.390 386 R CB -0.277 30.017 30.300 -0.010 0.000 1.341 386 R HN 0.802 nan 8.270 nan 0.000 0.728 387 V N -1.064 118.837 119.914 -0.021 0.000 3.178 387 V HA 0.566 4.685 4.120 -0.003 0.000 0.302 387 V C -0.992 175.010 176.094 -0.154 0.000 1.262 387 V CA -1.096 61.140 62.300 -0.106 0.000 1.030 387 V CB 2.237 33.940 31.823 -0.201 0.000 1.074 387 V HN -0.041 nan 8.190 nan 0.000 0.438 388 V N 2.342 122.158 119.914 -0.163 0.000 2.409 388 V HA 0.621 4.740 4.120 -0.003 0.000 0.291 388 V C -0.049 175.893 176.094 -0.254 0.000 1.020 388 V CA -0.509 61.647 62.300 -0.241 0.000 0.848 388 V CB 1.498 33.192 31.823 -0.215 0.000 0.990 388 V HN 0.968 nan 8.190 nan 0.000 0.430 389 V N 6.849 126.565 119.914 -0.330 0.000 2.427 389 V HA 0.651 4.769 4.120 -0.003 0.000 0.286 389 V C -1.202 174.684 176.094 -0.346 0.000 1.034 389 V CA -0.112 62.056 62.300 -0.220 0.000 0.893 389 V CB 1.392 33.171 31.823 -0.073 0.000 0.982 389 V HN 0.740 nan 8.190 nan 0.000 0.452 390 Y N 2.896 123.120 120.300 -0.126 0.000 2.562 390 Y HA 0.471 5.019 4.550 -0.003 0.000 0.343 390 Y C 1.509 177.378 175.900 -0.052 0.000 1.025 390 Y CA -0.105 57.954 58.100 -0.069 0.000 1.082 390 Y CB 2.229 40.599 38.460 -0.149 0.000 1.264 390 Y HN 0.720 nan 8.280 nan 0.000 0.478 391 T N -1.973 112.694 114.554 0.189 0.000 2.852 391 T HA 0.393 4.742 4.350 -0.003 0.000 0.256 391 T C 0.718 175.244 174.700 -0.291 0.000 1.038 391 T CA 0.737 62.772 62.100 -0.109 0.000 1.141 391 T CB -0.170 68.576 68.868 -0.202 0.000 0.869 391 T HN 0.839 nan 8.240 nan 0.000 0.439 392 G N 0.644 109.321 108.800 -0.206 0.000 2.698 392 G HA2 0.512 4.470 3.960 -0.003 0.000 0.293 392 G HA3 0.512 4.470 3.960 -0.003 0.000 0.293 392 G C -0.561 174.179 174.900 -0.266 0.000 1.437 392 G CA -0.284 44.594 45.100 -0.369 0.000 0.852 392 G HN 0.434 nan 8.290 nan 0.000 0.499 393 T N -2.219 112.099 114.554 -0.392 0.000 2.852 393 T HA 0.335 4.684 4.350 -0.003 0.000 0.281 393 T C 1.626 176.178 174.700 -0.246 0.000 0.993 393 T CA 0.370 62.252 62.100 -0.365 0.000 0.933 393 T CB 0.915 69.482 68.868 -0.503 0.000 1.187 393 T HN 0.869 nan 8.240 nan 0.000 0.559 394 H N -0.431 118.562 119.070 -0.127 0.000 2.521 394 H HA 0.019 4.574 4.556 -0.003 0.000 0.286 394 H C 0.587 175.840 175.328 -0.124 0.000 1.034 394 H CA 1.139 57.153 56.048 -0.057 0.000 1.278 394 H CB -0.324 29.492 29.762 0.090 0.000 1.386 394 H HN 0.583 nan 8.280 nan 0.000 0.567 395 D N 0.702 120.697 120.400 -0.675 0.000 2.348 395 D HA 0.029 4.668 4.640 -0.003 0.000 0.211 395 D C 0.054 176.182 176.300 -0.288 0.000 0.998 395 D CA 0.059 53.788 54.000 -0.453 0.000 0.873 395 D CB 0.178 40.699 40.800 -0.465 0.000 0.925 395 D HN 0.536 nan 8.370 nan 0.000 0.524 396 N N 0.713 119.245 118.700 -0.279 0.000 2.458 396 N HA 0.096 4.834 4.740 -0.003 0.000 0.271 396 N C -0.092 175.288 175.510 -0.218 0.000 1.210 396 N CA -0.662 52.257 53.050 -0.217 0.000 0.978 396 N CB 1.242 39.566 38.487 -0.271 0.000 1.206 396 N HN -0.162 nan 8.380 nan 0.000 0.536 397 D N -0.115 120.180 120.400 -0.175 0.000 2.377 397 D HA 0.046 4.684 4.640 -0.003 0.000 0.245 397 D C -0.012 176.219 176.300 -0.115 0.000 1.196 397 D CA -0.204 53.703 54.000 -0.156 0.000 0.962 397 D CB 0.646 41.391 40.800 -0.093 0.000 1.127 397 D HN 0.529 nan 8.370 nan 0.000 0.471 398 T N -1.421 113.063 114.554 -0.116 0.000 2.795 398 T HA 0.061 4.409 4.350 -0.003 0.000 0.314 398 T C 1.352 176.034 174.700 -0.029 0.000 1.069 398 T CA -0.145 61.882 62.100 -0.123 0.000 1.071 398 T CB 0.300 69.077 68.868 -0.152 0.000 0.988 398 T HN 0.329 nan 8.240 nan 0.000 0.543 399 T N 1.076 115.597 114.554 -0.056 0.000 2.867 399 T HA -0.058 4.290 4.350 -0.003 0.000 0.268 399 T C 1.760 176.566 174.700 0.176 0.000 1.057 399 T CA 0.981 63.102 62.100 0.035 0.000 1.136 399 T CB -0.369 68.433 68.868 -0.109 0.000 0.874 399 T HN 0.496 nan 8.240 nan 0.000 0.466 400 L N 1.641 122.904 121.223 0.066 0.000 2.027 400 L HA 0.187 4.526 4.340 -0.003 0.000 0.206 400 L C 2.531 179.480 176.870 0.131 0.000 1.074 400 L CA 1.977 56.872 54.840 0.091 0.000 0.745 400 L CB -1.299 40.780 42.059 0.034 0.000 0.898 400 L HN 0.247 nan 8.230 nan 0.000 0.433 401 G N -1.225 107.623 108.800 0.081 0.000 2.418 401 G HA2 -0.371 3.587 3.960 -0.003 0.000 0.217 401 G HA3 -0.371 3.587 3.960 -0.003 0.000 0.217 401 G C 1.403 176.352 174.900 0.081 0.000 1.158 401 G CA 0.733 45.865 45.100 0.053 0.000 0.771 401 G HN 0.653 nan 8.290 nan 0.000 0.545 402 W N 0.400 121.683 121.300 -0.028 0.000 2.338 402 W HA -0.136 4.523 4.660 -0.002 0.000 0.304 402 W C 2.178 178.722 176.519 0.043 0.000 1.212 402 W CA 1.467 58.807 57.345 -0.009 0.000 1.264 402 W CB -0.489 28.963 29.460 -0.013 0.000 1.142 402 W HN 0.204 nan 8.180 nan 0.000 0.512 403 Y N 1.464 121.659 120.300 -0.176 0.000 2.181 403 Y HA -0.168 4.380 4.550 -0.003 0.000 0.288 403 Y C 2.500 178.191 175.900 -0.348 0.000 1.146 403 Y CA 2.497 60.333 58.100 -0.441 0.000 1.164 403 Y CB -0.682 37.714 38.460 -0.107 0.000 0.982 403 Y HN -0.099 nan 8.280 nan 0.000 0.515 404 R N -0.982 119.415 120.500 -0.173 0.000 2.152 404 R HA -0.099 4.239 4.340 -0.003 0.000 0.232 404 R C 1.732 177.879 176.300 -0.254 0.000 1.117 404 R CA 1.700 57.682 56.100 -0.197 0.000 0.981 404 R CB -0.384 29.884 30.300 -0.053 0.000 0.870 404 R HN 0.487 nan 8.270 nan 0.000 0.451 405 T N -3.099 111.284 114.554 -0.285 0.000 3.054 405 T HA 0.381 4.729 4.350 -0.003 0.000 0.255 405 T C 0.654 175.149 174.700 -0.340 0.000 1.035 405 T CA -0.140 61.815 62.100 -0.242 0.000 0.941 405 T CB 0.487 69.266 68.868 -0.148 0.000 1.026 405 T HN 0.122 nan 8.240 nan 0.000 0.533 406 A N 2.691 125.165 122.820 -0.577 0.000 2.425 406 A HA 0.523 4.841 4.320 -0.003 0.000 0.242 406 A C 0.959 178.328 177.584 -0.359 0.000 1.077 406 A CA -0.152 51.512 52.037 -0.622 0.000 0.781 406 A CB -0.151 18.212 19.000 -1.061 0.000 1.020 406 A HN 0.613 nan 8.150 nan 0.000 0.494 407 T N -0.191 114.242 114.554 -0.202 0.000 2.913 407 T HA 0.354 4.702 4.350 -0.003 0.000 0.297 407 T C -1.879 172.774 174.700 -0.079 0.000 1.029 407 T CA -1.136 60.910 62.100 -0.089 0.000 1.104 407 T CB 0.751 69.632 68.868 0.020 0.000 0.964 407 T HN 0.346 nan 8.240 nan 0.000 0.532 408 P HA -0.187 nan 4.420 nan 0.000 0.216 408 P C 1.280 178.604 177.300 0.040 0.000 1.150 408 P CA 1.458 64.544 63.100 -0.024 0.000 0.843 408 P CB -0.122 31.578 31.700 0.000 0.000 0.787 409 H N 0.321 119.409 119.070 0.030 0.000 2.321 409 H HA -0.108 4.446 4.556 -0.003 0.000 0.300 409 H C 1.716 177.151 175.328 0.178 0.000 1.087 409 H CA 1.900 58.001 56.048 0.088 0.000 1.319 409 H CB -0.486 29.318 29.762 0.070 0.000 1.379 409 H HN 0.159 nan 8.280 nan 0.000 0.501 410 E N 0.421 120.590 120.200 -0.052 0.000 2.077 410 E HA -0.151 4.197 4.350 -0.003 0.000 0.193 410 E C 2.192 178.800 176.600 0.013 0.000 0.989 410 E CA 1.127 57.554 56.400 0.045 0.000 0.800 410 E CB 0.017 29.823 29.700 0.176 0.000 0.746 410 E HN 0.517 nan 8.360 nan 0.000 0.452 411 K N 0.589 120.957 120.400 -0.054 0.000 2.057 411 K HA -0.092 4.226 4.320 -0.003 0.000 0.207 411 K C 2.242 178.882 176.600 0.066 0.000 1.049 411 K CA 1.088 57.375 56.287 -0.001 0.000 0.931 411 K CB -0.120 32.298 32.500 -0.135 0.000 0.714 411 K HN 0.051 nan 8.250 nan 0.000 0.440 412 A N 1.192 124.039 122.820 0.045 0.000 1.873 412 A HA -0.156 4.162 4.320 -0.003 0.000 0.215 412 A C 1.976 179.641 177.584 0.134 0.000 1.186 412 A CA 1.046 53.135 52.037 0.086 0.000 0.616 412 A CB -0.646 18.409 19.000 0.091 0.000 0.823 412 A HN 0.325 nan 8.150 nan 0.000 0.442 413 F N 0.309 120.209 119.950 -0.082 0.000 2.171 413 F HA -0.151 4.374 4.527 -0.003 0.000 0.300 413 F C 2.206 178.029 175.800 0.039 0.000 1.090 413 F CA 1.746 59.743 58.000 -0.004 0.000 1.293 413 F CB -0.398 38.537 39.000 -0.109 0.000 1.013 413 F HN 0.287 nan 8.300 nan 0.000 0.486 414 M N -0.134 119.268 119.600 -0.331 0.000 2.117 414 M HA -0.144 4.334 4.480 -0.003 0.000 0.262 414 M C 2.214 178.335 176.300 -0.299 0.000 1.065 414 M CA 1.996 56.762 55.300 -0.890 0.000 1.114 414 M CB -0.442 31.564 32.600 -0.990 0.000 1.361 414 M HN 0.210 nan 8.290 nan 0.000 0.408 415 A N 0.545 123.350 122.820 -0.025 0.000 1.898 415 A HA -0.166 4.153 4.320 -0.003 0.000 0.216 415 A C 2.129 179.757 177.584 0.072 0.000 1.181 415 A CA 1.599 53.704 52.037 0.113 0.000 0.620 415 A CB -0.616 18.450 19.000 0.110 0.000 0.819 415 A HN 0.570 nan 8.150 nan 0.000 0.442 416 R N -2.409 118.144 120.500 0.087 0.000 2.075 416 R HA -0.104 4.235 4.340 -0.003 0.000 0.232 416 R C 2.144 178.517 176.300 0.122 0.000 1.126 416 R CA 1.576 57.748 56.100 0.120 0.000 0.963 416 R CB -0.468 29.958 30.300 0.210 0.000 0.858 416 R HN 0.672 nan 8.270 nan 0.000 0.435 417 Y N 1.534 121.816 120.300 -0.030 0.000 2.128 417 Y HA -0.229 4.319 4.550 -0.003 0.000 0.284 417 Y C 2.007 177.980 175.900 0.121 0.000 1.154 417 Y CA 1.575 59.683 58.100 0.014 0.000 1.149 417 Y CB -0.251 38.109 38.460 -0.166 0.000 0.976 417 Y HN -0.030 nan 8.280 nan 0.000 0.505 418 L N -0.580 120.746 121.223 0.172 0.000 1.989 418 L HA -0.303 4.036 4.340 -0.003 0.000 0.211 418 L C 2.783 179.725 176.870 0.120 0.000 1.071 418 L CA 1.361 56.288 54.840 0.147 0.000 0.749 418 L CB -1.089 41.057 42.059 0.144 0.000 0.890 418 L HN 0.334 nan 8.230 nan 0.000 0.431 419 A N -0.201 122.667 122.820 0.079 0.000 1.948 419 A HA -0.295 4.023 4.320 -0.003 0.000 0.220 419 A C 1.862 179.451 177.584 0.009 0.000 1.177 419 A CA 2.336 54.395 52.037 0.038 0.000 0.636 419 A CB -0.727 18.283 19.000 0.016 0.000 0.815 419 A HN 0.398 nan 8.150 nan 0.000 0.449 420 D N -1.915 118.477 120.400 -0.012 0.000 2.182 420 D HA -0.143 4.495 4.640 -0.003 0.000 0.201 420 D C 0.957 177.153 176.300 -0.173 0.000 0.986 420 D CA 0.990 54.926 54.000 -0.106 0.000 0.847 420 D CB -0.202 40.497 40.800 -0.168 0.000 0.942 420 D HN 0.734 nan 8.370 nan 0.000 0.467 421 W N 0.007 121.167 121.300 -0.233 0.000 3.330 421 W HA 0.376 5.034 4.660 -0.003 0.000 0.348 421 W C 1.463 177.900 176.519 -0.138 0.000 1.205 421 W CA 0.402 57.631 57.345 -0.192 0.000 1.841 421 W CB 0.141 29.485 29.460 -0.193 0.000 1.084 421 W HN 0.031 nan 8.180 nan 0.000 0.665 422 G N 0.653 109.472 108.800 0.032 0.000 2.162 422 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.260 422 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.260 422 G C 0.117 175.042 174.900 0.042 0.000 0.976 422 G CA -0.039 45.068 45.100 0.013 0.000 0.655 422 G HN 0.225 nan 8.290 nan 0.000 0.533 423 I N 1.080 121.695 120.570 0.074 0.000 2.353 423 I HA 0.556 4.724 4.170 -0.003 0.000 0.293 423 I C 0.352 176.548 176.117 0.132 0.000 0.992 423 I CA -0.361 61.003 61.300 0.106 0.000 1.268 423 I CB 1.897 39.958 38.000 0.101 0.000 1.387 423 I HN 0.027 nan 8.210 nan 0.000 0.478 424 T N 5.987 120.629 114.554 0.147 0.000 2.903 424 T HA 0.748 5.096 4.350 -0.003 0.000 0.299 424 T C -0.978 173.839 174.700 0.194 0.000 1.093 424 T CA -0.416 61.742 62.100 0.098 0.000 1.002 424 T CB 1.858 70.732 68.868 0.010 0.000 1.127 424 T HN 0.449 nan 8.240 nan 0.000 0.488 425 F N 0.040 119.989 119.950 -0.002 0.000 2.713 425 F HA 0.724 5.249 4.527 -0.003 0.000 0.311 425 F C 0.106 175.896 175.800 -0.016 0.000 1.141 425 F CA -1.099 56.894 58.000 -0.012 0.000 0.939 425 F CB 1.235 40.217 39.000 -0.030 0.000 1.325 425 F HN 0.287 nan 8.300 nan 0.000 0.453 426 R N 0.280 120.850 120.500 0.116 0.000 2.243 426 R HA 0.198 4.536 4.340 -0.003 0.000 0.193 426 R C -0.496 175.888 176.300 0.141 0.000 0.933 426 R CA 0.668 56.775 56.100 0.012 0.000 1.105 426 R CB 0.165 30.468 30.300 0.006 0.000 1.169 426 R HN 0.922 nan 8.270 nan 0.000 0.599 427 E N 0.794 121.128 120.200 0.224 0.000 2.244 427 E HA 0.185 4.534 4.350 -0.003 0.000 0.266 427 E C 0.165 176.869 176.600 0.174 0.000 0.914 427 E CA -0.532 55.977 56.400 0.182 0.000 0.794 427 E CB 1.470 31.229 29.700 0.099 0.000 1.210 427 E HN 0.057 nan 8.360 nan 0.000 0.414 428 E N 1.510 121.792 120.200 0.137 0.000 2.147 428 E HA -0.312 4.036 4.350 -0.003 0.000 0.199 428 E C 0.938 177.508 176.600 -0.051 0.000 1.005 428 E CA 1.722 58.143 56.400 0.034 0.000 0.810 428 E CB -0.215 29.593 29.700 0.179 0.000 0.736 428 E HN 0.520 nan 8.360 nan 0.000 0.460 429 E N 1.008 121.222 120.200 0.025 0.000 2.267 429 E HA -0.143 4.205 4.350 -0.003 0.000 0.197 429 E C 1.480 178.108 176.600 0.047 0.000 0.998 429 E CA 1.279 57.704 56.400 0.041 0.000 0.830 429 E CB -0.041 29.696 29.700 0.062 0.000 0.751 429 E HN 0.516 nan 8.360 nan 0.000 0.491 430 E N -0.258 119.943 120.200 0.001 0.000 2.478 430 E HA -0.006 4.342 4.350 -0.003 0.000 0.194 430 E C 1.610 178.105 176.600 -0.176 0.000 1.045 430 E CA 0.062 56.469 56.400 0.013 0.000 0.868 430 E CB 0.351 30.097 29.700 0.076 0.000 0.885 430 E HN 0.083 nan 8.360 nan 0.000 0.505 431 V N 1.666 121.311 119.914 -0.448 0.000 2.343 431 V HA -0.197 3.921 4.120 -0.003 0.000 0.247 431 V C -0.789 175.079 176.094 -0.377 0.000 1.051 431 V CA 1.900 63.768 62.300 -0.720 0.000 1.036 431 V CB -1.300 29.944 31.823 -0.964 0.000 0.654 431 V HN 0.193 nan 8.190 nan 0.000 0.451 432 P HA -0.154 nan 4.420 nan 0.000 0.215 432 P C 1.233 178.323 177.300 -0.350 0.000 1.153 432 P CA 1.600 64.538 63.100 -0.270 0.000 0.853 432 P CB -0.118 31.446 31.700 -0.227 0.000 0.788 433 W N -0.251 120.922 121.300 -0.212 0.000 2.402 433 W HA 0.014 4.673 4.660 -0.002 0.000 0.286 433 W C 2.602 179.029 176.519 -0.154 0.000 1.221 433 W CA 1.235 58.472 57.345 -0.181 0.000 1.257 433 W CB -1.168 28.221 29.460 -0.119 0.000 1.120 433 W HN -0.110 nan 8.180 nan 0.000 0.551 434 A N 0.016 122.850 122.820 0.025 0.000 1.877 434 A HA -0.155 4.164 4.320 -0.003 0.000 0.216 434 A C 1.960 179.524 177.584 -0.034 0.000 1.186 434 A CA 1.401 53.451 52.037 0.021 0.000 0.620 434 A CB -0.974 17.958 19.000 -0.112 0.000 0.822 434 A HN 0.266 nan 8.150 nan 0.000 0.443 435 L N -1.154 119.973 121.223 -0.159 0.000 2.141 435 L HA -0.161 4.178 4.340 -0.003 0.000 0.209 435 L C 2.806 179.546 176.870 -0.217 0.000 1.094 435 L CA 1.168 55.911 54.840 -0.162 0.000 0.763 435 L CB -0.452 41.487 42.059 -0.200 0.000 0.908 435 L HN 0.433 nan 8.230 nan 0.000 0.437 436 M N -1.463 117.891 119.600 -0.411 0.000 2.175 436 M HA -0.238 4.240 4.480 -0.003 0.000 0.264 436 M C 2.227 178.446 176.300 -0.135 0.000 1.063 436 M CA 1.596 56.468 55.300 -0.713 0.000 1.119 436 M CB -0.604 31.335 32.600 -1.101 0.000 1.377 436 M HN 0.328 nan 8.290 nan 0.000 0.415 437 H N 0.007 119.000 119.070 -0.127 0.000 2.357 437 H HA -0.176 4.378 4.556 -0.003 0.000 0.301 437 H C 2.099 177.433 175.328 0.010 0.000 1.082 437 H CA 1.145 57.191 56.048 -0.004 0.000 1.342 437 H CB 0.262 30.051 29.762 0.045 0.000 1.389 437 H HN 0.195 nan 8.280 nan 0.000 0.511 438 L N 0.614 121.854 121.223 0.029 0.000 2.042 438 L HA -0.088 4.250 4.340 -0.003 0.000 0.210 438 L C 2.559 179.366 176.870 -0.105 0.000 1.076 438 L CA 2.101 56.870 54.840 -0.117 0.000 0.749 438 L CB -0.996 40.992 42.059 -0.119 0.000 0.893 438 L HN 0.353 nan 8.230 nan 0.000 0.432 439 G N -1.025 107.791 108.800 0.027 0.000 2.422 439 G HA2 -0.253 3.706 3.960 -0.003 0.000 0.218 439 G HA3 -0.253 3.706 3.960 -0.003 0.000 0.218 439 G C 1.523 176.506 174.900 0.137 0.000 1.146 439 G CA 0.933 46.105 45.100 0.120 0.000 0.769 439 G HN 0.409 nan 8.290 nan 0.000 0.547 440 M N -0.238 119.470 119.600 0.181 0.000 2.319 440 M HA 0.065 4.543 4.480 -0.003 0.000 0.265 440 M C 2.339 178.732 176.300 0.154 0.000 1.068 440 M CA 0.918 56.322 55.300 0.173 0.000 1.118 440 M CB -0.083 32.639 32.600 0.202 0.000 1.395 440 M HN 0.147 nan 8.290 nan 0.000 0.435 441 K N 0.251 120.725 120.400 0.124 0.000 2.305 441 K HA 0.001 4.319 4.320 -0.003 0.000 0.199 441 K C 1.114 177.839 176.600 0.207 0.000 1.047 441 K CA 0.305 56.693 56.287 0.168 0.000 0.976 441 K CB 0.116 32.734 32.500 0.197 0.000 0.765 441 K HN 0.319 nan 8.250 nan 0.000 0.474 442 S N -0.266 115.476 115.700 0.069 0.000 2.606 442 S HA -0.017 4.451 4.470 -0.003 0.000 0.257 442 S C 1.155 175.861 174.600 0.177 0.000 1.327 442 S CA -0.625 57.623 58.200 0.079 0.000 0.984 442 S CB 1.412 64.642 63.200 0.051 0.000 0.941 442 S HN -0.038 nan 8.310 nan 0.000 0.576 443 V N 0.594 120.635 119.914 0.211 0.000 3.461 443 V HA 0.310 4.428 4.120 -0.003 0.000 0.267 443 V C 1.277 177.467 176.094 0.160 0.000 1.186 443 V CA 0.701 63.110 62.300 0.181 0.000 1.154 443 V CB -1.229 30.695 31.823 0.168 0.000 0.802 443 V HN 1.030 nan 8.190 nan 0.000 0.474 444 A N 0.699 123.637 122.820 0.196 0.000 2.548 444 A HA 0.199 4.517 4.320 -0.003 0.000 0.247 444 A C 1.426 179.026 177.584 0.026 0.000 1.067 444 A CA -0.085 51.995 52.037 0.071 0.000 0.757 444 A CB 0.141 19.146 19.000 0.009 0.000 0.996 444 A HN 0.427 nan 8.150 nan 0.000 0.504 445 R N 1.409 121.907 120.500 -0.004 0.000 2.073 445 R HA -0.022 4.316 4.340 -0.003 0.000 0.234 445 R C 0.288 176.546 176.300 -0.070 0.000 1.134 445 R CA 1.226 57.316 56.100 -0.016 0.000 0.952 445 R CB -0.736 29.551 30.300 -0.022 0.000 0.850 445 R HN 0.726 nan 8.270 nan 0.000 0.433 446 L N 0.207 121.336 121.223 -0.156 0.000 2.334 446 L HA 0.555 4.893 4.340 -0.003 0.000 0.276 446 L C -0.518 176.176 176.870 -0.294 0.000 1.014 446 L CA -0.938 53.749 54.840 -0.255 0.000 0.815 446 L CB 2.019 43.825 42.059 -0.422 0.000 1.268 446 L HN -0.035 nan 8.230 nan 0.000 0.428 447 A N 3.364 125.997 122.820 -0.311 0.000 2.332 447 A HA 0.761 5.079 4.320 -0.003 0.000 0.300 447 A C -0.979 176.171 177.584 -0.724 0.000 1.153 447 A CA -0.448 51.279 52.037 -0.518 0.000 0.764 447 A CB 1.447 20.241 19.000 -0.344 0.000 1.174 447 A HN 0.381 nan 8.150 nan 0.000 0.467 448 V N 3.119 122.444 119.914 -0.982 0.000 2.540 448 V HA 0.486 4.605 4.120 -0.003 0.000 0.302 448 V C -1.145 174.595 176.094 -0.591 0.000 1.035 448 V CA -0.416 61.471 62.300 -0.688 0.000 0.873 448 V CB 1.155 32.648 31.823 -0.551 0.000 0.992 448 V HN 0.816 nan 8.190 nan 0.000 0.428 449 Y N 5.073 125.418 120.300 0.075 0.000 2.409 449 Y HA 0.521 5.069 4.550 -0.002 0.000 0.343 449 Y C -2.263 173.716 175.900 0.133 0.000 0.973 449 Y CA -2.901 55.239 58.100 0.066 0.000 1.064 449 Y CB 2.763 41.205 38.460 -0.030 0.000 1.207 449 Y HN 0.417 nan 8.280 nan 0.000 0.452 450 P HA -0.002 nan 4.420 nan 0.000 0.271 450 P C 0.650 178.032 177.300 0.136 0.000 1.216 450 P CA -0.018 63.195 63.100 0.188 0.000 0.776 450 P CB 1.920 33.669 31.700 0.082 0.000 0.881 451 V N 2.880 122.911 119.914 0.194 0.000 2.568 451 V HA -0.264 3.854 4.120 -0.003 0.000 0.253 451 V C 2.522 178.619 176.094 0.004 0.000 1.072 451 V CA 1.967 64.378 62.300 0.185 0.000 1.084 451 V CB -1.320 30.700 31.823 0.329 0.000 0.676 451 V HN 0.524 nan 8.190 nan 0.000 0.469 452 Q N -0.198 119.475 119.800 -0.212 0.000 2.181 452 Q HA -0.199 4.139 4.340 -0.003 0.000 0.205 452 Q C 1.922 177.789 176.000 -0.222 0.000 0.980 452 Q CA 1.796 57.355 55.803 -0.406 0.000 0.862 452 Q CB -0.287 28.085 28.738 -0.610 0.000 0.905 452 Q HN 0.605 nan 8.270 nan 0.000 0.429 453 D N -0.950 119.339 120.400 -0.186 0.000 2.194 453 D HA -0.052 4.587 4.640 -0.003 0.000 0.204 453 D C 1.746 177.861 176.300 -0.308 0.000 0.964 453 D CA 0.506 54.364 54.000 -0.236 0.000 0.846 453 D CB 0.043 40.674 40.800 -0.282 0.000 0.962 453 D HN 0.052 nan 8.370 nan 0.000 0.490 454 V N 1.006 120.775 119.914 -0.242 0.000 2.407 454 V HA -0.178 3.940 4.120 -0.003 0.000 0.248 454 V C 2.338 178.511 176.094 0.131 0.000 1.055 454 V CA 1.161 63.331 62.300 -0.216 0.000 1.049 454 V CB -0.282 31.549 31.823 0.014 0.000 0.662 454 V HN 0.232 nan 8.190 nan 0.000 0.455 455 L N -0.166 121.077 121.223 0.034 0.000 2.509 455 L HA 0.297 4.635 4.340 -0.003 0.000 0.222 455 L C 1.415 178.378 176.870 0.155 0.000 1.123 455 L CA 0.590 55.478 54.840 0.081 0.000 0.856 455 L CB -0.477 41.594 42.059 0.020 0.000 0.985 455 L HN 0.391 nan 8.230 nan 0.000 0.456 456 A N 0.720 123.593 122.820 0.088 0.000 2.791 456 A HA -0.198 4.120 4.320 -0.003 0.000 0.292 456 A C 0.236 177.839 177.584 0.033 0.000 1.487 456 A CA 0.464 52.545 52.037 0.074 0.000 0.760 456 A CB -2.367 16.751 19.000 0.197 0.000 1.031 456 A HN 0.324 nan 8.150 nan 0.000 0.503 457 L N -0.611 120.592 121.223 -0.033 0.000 2.418 457 L HA 0.584 4.923 4.340 -0.003 0.000 0.265 457 L C 1.525 178.356 176.870 -0.064 0.000 1.143 457 L CA -0.044 54.767 54.840 -0.047 0.000 0.809 457 L CB 0.898 42.884 42.059 -0.120 0.000 1.124 457 L HN 0.569 nan 8.230 nan 0.000 0.456 458 G N -0.035 108.746 108.800 -0.032 0.000 2.508 458 G HA2 0.139 4.098 3.960 -0.003 0.000 0.278 458 G HA3 0.139 4.098 3.960 -0.003 0.000 0.278 458 G C 0.812 175.681 174.900 -0.052 0.000 1.389 458 G CA -0.292 44.795 45.100 -0.022 0.000 1.050 458 G HN 0.640 nan 8.290 nan 0.000 0.522 459 S N 0.461 116.146 115.700 -0.026 0.000 2.420 459 S HA -0.143 4.326 4.470 -0.003 0.000 0.237 459 S C 2.231 176.817 174.600 -0.023 0.000 1.023 459 S CA 1.643 59.824 58.200 -0.032 0.000 0.991 459 S CB -0.222 62.977 63.200 -0.001 0.000 0.792 459 S HN 0.761 nan 8.310 nan 0.000 0.488 460 E N 1.798 121.997 120.200 -0.002 0.000 2.265 460 E HA -0.090 4.258 4.350 -0.003 0.000 0.196 460 E C 1.481 178.092 176.600 0.018 0.000 0.996 460 E CA 1.206 57.625 56.400 0.032 0.000 0.832 460 E CB -0.353 29.381 29.700 0.057 0.000 0.756 460 E HN 0.539 nan 8.360 nan 0.000 0.491 461 A N 1.417 124.173 122.820 -0.108 0.000 2.345 461 A HA 0.105 4.424 4.320 -0.003 0.000 0.225 461 A C 1.196 178.563 177.584 -0.361 0.000 1.243 461 A CA -0.345 51.481 52.037 -0.352 0.000 0.875 461 A CB -0.462 18.083 19.000 -0.758 0.000 0.929 461 A HN 0.133 nan 8.150 nan 0.000 0.502 462 R N -0.305 120.087 120.500 -0.181 0.000 2.538 462 R HA 0.103 4.441 4.340 -0.003 0.000 0.282 462 R C 1.073 177.312 176.300 -0.101 0.000 1.009 462 R CA 0.111 56.114 56.100 -0.161 0.000 1.063 462 R CB 0.232 30.453 30.300 -0.133 0.000 0.945 462 R HN 0.309 nan 8.270 nan 0.000 0.414 463 M N 3.028 122.566 119.600 -0.104 0.000 2.134 463 M HA 0.018 4.497 4.480 -0.003 0.000 0.262 463 M C -0.177 175.940 176.300 -0.305 0.000 1.076 463 M CA 1.726 56.999 55.300 -0.045 0.000 1.143 463 M CB -0.162 32.484 32.600 0.077 0.000 1.346 463 M HN 0.659 nan 8.290 nan 0.000 0.421 464 N N -0.870 117.596 118.700 -0.390 0.000 2.260 464 N HA 0.204 4.942 4.740 -0.003 0.000 0.293 464 N C -2.180 173.177 175.510 -0.254 0.000 1.058 464 N CA -0.504 52.184 53.050 -0.603 0.000 0.824 464 N CB 1.053 38.910 38.487 -1.050 0.000 1.551 464 N HN 0.292 nan 8.380 nan 0.000 0.475 465 Y N 3.449 123.578 120.300 -0.286 0.000 2.555 465 Y HA 0.451 4.999 4.550 -0.003 0.000 0.326 465 Y C -2.260 173.574 175.900 -0.110 0.000 0.984 465 Y CA -2.644 55.366 58.100 -0.150 0.000 1.298 465 Y CB 1.497 39.898 38.460 -0.098 0.000 1.094 465 Y HN 0.465 nan 8.280 nan 0.000 0.500 466 P HA 0.077 nan 4.420 nan 0.000 0.257 466 P C 0.531 177.928 177.300 0.162 0.000 1.189 466 P CA 1.895 65.078 63.100 0.138 0.000 0.780 466 P CB 0.578 32.336 31.700 0.097 0.000 0.772 467 G N 3.157 111.996 108.800 0.066 0.000 2.339 467 G HA2 -0.221 3.738 3.960 -0.003 0.000 0.209 467 G HA3 -0.221 3.738 3.960 -0.003 0.000 0.209 467 G C 0.399 175.245 174.900 -0.090 0.000 1.015 467 G CA -0.538 44.569 45.100 0.011 0.000 0.635 467 G HN 0.633 nan 8.290 nan 0.000 0.499 468 R N 2.568 122.950 120.500 -0.196 0.000 2.370 468 R HA 0.346 4.684 4.340 -0.003 0.000 0.309 468 R C -0.354 175.889 176.300 -0.095 0.000 1.059 468 R CA -0.631 55.324 56.100 -0.242 0.000 0.981 468 R CB 0.710 30.792 30.300 -0.363 0.000 0.972 468 R HN 0.187 nan 8.270 nan 0.000 0.437 469 P HA -0.116 nan 4.420 nan 0.000 0.221 469 P C -0.376 176.920 177.300 -0.007 0.000 1.145 469 P CA 0.992 64.086 63.100 -0.010 0.000 0.795 469 P CB 0.298 32.006 31.700 0.013 0.000 0.775 470 S N -3.964 111.729 115.700 -0.011 0.000 2.643 470 S HA 0.566 5.034 4.470 -0.003 0.000 0.270 470 S C 0.554 175.167 174.600 0.021 0.000 1.166 470 S CA 0.005 58.213 58.200 0.014 0.000 0.815 470 S CB 1.106 64.334 63.200 0.047 0.000 1.139 470 S HN 0.223 nan 8.310 nan 0.000 0.472 471 G N 0.810 109.648 108.800 0.064 0.000 2.143 471 G HA2 -0.198 3.761 3.960 -0.003 0.000 0.249 471 G HA3 -0.198 3.761 3.960 -0.003 0.000 0.249 471 G C -0.301 174.626 174.900 0.045 0.000 0.981 471 G CA 0.078 45.227 45.100 0.081 0.000 0.665 471 G HN 0.834 nan 8.290 nan 0.000 0.528 472 N N -0.300 118.381 118.700 -0.031 0.000 2.508 472 N HA 0.414 5.153 4.740 -0.003 0.000 0.285 472 N C 0.793 176.230 175.510 -0.122 0.000 1.144 472 N CA 0.208 53.070 53.050 -0.313 0.000 0.978 472 N CB 0.252 38.331 38.487 -0.680 0.000 1.180 472 N HN 0.481 nan 8.380 nan 0.000 0.484 473 W N -1.113 120.306 121.300 0.199 0.000 3.834 473 W HA -0.260 4.398 4.660 -0.003 0.000 0.320 473 W C 0.764 177.519 176.519 0.394 0.000 1.201 473 W CA 0.356 57.851 57.345 0.250 0.000 0.701 473 W CB -2.028 27.525 29.460 0.154 0.000 2.264 473 W HN 0.659 nan 8.180 nan 0.000 1.413 474 A N -1.666 121.411 122.820 0.430 0.000 2.167 474 A HA 0.225 4.544 4.320 -0.003 0.000 0.208 474 A C 0.605 178.328 177.584 0.232 0.000 1.198 474 A CA 0.074 52.315 52.037 0.340 0.000 0.863 474 A CB -0.230 18.936 19.000 0.278 0.000 0.904 474 A HN 0.319 nan 8.150 nan 0.000 0.484 475 W N 1.974 123.339 121.300 0.108 0.000 2.274 475 W HA 0.370 5.028 4.660 -0.003 0.000 0.345 475 W C 0.248 176.799 176.519 0.053 0.000 1.265 475 W CA 0.730 58.114 57.345 0.065 0.000 1.293 475 W CB 0.273 29.766 29.460 0.056 0.000 1.175 475 W HN 0.160 nan 8.180 nan 0.000 0.577 476 R N 5.140 124.946 120.500 -1.157 0.000 2.668 476 R HA 0.421 4.760 4.340 -0.003 0.000 0.272 476 R C -0.953 174.508 176.300 -1.400 0.000 1.019 476 R CA -1.298 54.125 56.100 -1.128 0.000 0.894 476 R CB 1.552 31.540 30.300 -0.520 0.000 1.228 476 R HN 0.450 nan 8.270 nan 0.000 0.460 477 L N 2.384 122.964 121.223 -1.070 0.000 2.453 477 L HA 0.363 4.702 4.340 -0.003 0.000 0.261 477 L C -0.090 176.588 176.870 -0.320 0.000 1.179 477 L CA -0.320 54.175 54.840 -0.574 0.000 0.813 477 L CB 0.507 42.342 42.059 -0.374 0.000 1.110 477 L HN 0.321 nan 8.230 nan 0.000 0.466 478 L N 2.285 123.414 121.223 -0.156 0.000 2.360 478 L HA 0.415 4.753 4.340 -0.003 0.000 0.271 478 L C -2.157 174.659 176.870 -0.089 0.000 1.057 478 L CA -2.003 52.774 54.840 -0.106 0.000 0.803 478 L CB 1.241 43.277 42.059 -0.038 0.000 1.207 478 L HN 0.320 nan 8.230 nan 0.000 0.445 479 P HA 0.039 nan 4.420 nan 0.000 0.263 479 P C 0.645 177.924 177.300 -0.035 0.000 1.195 479 P CA 0.746 63.806 63.100 -0.066 0.000 0.762 479 P CB 0.592 32.252 31.700 -0.065 0.000 0.799 480 G N 2.865 111.648 108.800 -0.027 0.000 2.184 480 G HA2 -0.361 3.598 3.960 -0.003 0.000 0.264 480 G HA3 -0.361 3.598 3.960 -0.003 0.000 0.264 480 G C 1.141 176.056 174.900 0.026 0.000 0.975 480 G CA 0.553 45.656 45.100 0.004 0.000 0.642 480 G HN 0.556 nan 8.290 nan 0.000 0.536 481 E N -0.381 119.823 120.200 0.007 0.000 2.085 481 E HA 0.022 4.371 4.350 -0.003 0.000 0.194 481 E C 1.288 177.905 176.600 0.028 0.000 0.994 481 E CA 0.473 56.895 56.400 0.037 0.000 0.801 481 E CB -0.107 29.609 29.700 0.027 0.000 0.743 481 E HN 0.519 nan 8.360 nan 0.000 0.453 482 L N 2.701 123.885 121.223 -0.066 0.000 2.334 482 L HA 0.118 4.456 4.340 -0.003 0.000 0.286 482 L C 0.035 176.929 176.870 0.039 0.000 1.108 482 L CA -0.582 54.153 54.840 -0.175 0.000 0.875 482 L CB 0.615 42.392 42.059 -0.471 0.000 1.246 482 L HN 0.188 nan 8.230 nan 0.000 0.439 483 S N 3.176 119.122 115.700 0.411 0.000 2.669 483 S HA 0.407 4.876 4.470 -0.003 0.000 0.270 483 S C -1.906 172.953 174.600 0.432 0.000 1.225 483 S CA -1.268 57.143 58.200 0.353 0.000 0.991 483 S CB 1.322 64.679 63.200 0.261 0.000 0.987 483 S HN 0.305 nan 8.310 nan 0.000 0.552 484 P HA -0.015 nan 4.420 nan 0.000 0.218 484 P C 0.946 178.346 177.300 0.166 0.000 1.149 484 P CA 0.995 64.234 63.100 0.231 0.000 0.817 484 P CB 0.025 31.798 31.700 0.121 0.000 0.785 485 E N -1.460 118.797 120.200 0.096 0.000 2.077 485 E HA -0.202 4.147 4.350 -0.003 0.000 0.193 485 E C 1.877 178.489 176.600 0.019 0.000 0.989 485 E CA 1.366 57.754 56.400 -0.019 0.000 0.800 485 E CB -1.040 28.575 29.700 -0.142 0.000 0.746 485 E HN 0.477 nan 8.360 nan 0.000 0.452 486 H N -0.950 118.249 119.070 0.213 0.000 2.387 486 H HA -0.039 4.515 4.556 -0.003 0.000 0.299 486 H C 2.095 177.657 175.328 0.390 0.000 1.099 486 H CA 1.335 57.592 56.048 0.349 0.000 1.315 486 H CB -0.313 29.726 29.762 0.461 0.000 1.380 486 H HN 0.285 nan 8.280 nan 0.000 0.513 487 G N 0.065 109.129 108.800 0.441 0.000 2.402 487 G HA2 -0.239 3.720 3.960 -0.003 0.000 0.216 487 G HA3 -0.239 3.720 3.960 -0.003 0.000 0.216 487 G C 1.885 176.792 174.900 0.011 0.000 1.162 487 G CA 0.713 45.804 45.100 -0.014 0.000 0.777 487 G HN 0.507 nan 8.290 nan 0.000 0.539 488 A N 0.602 123.443 122.820 0.034 0.000 1.969 488 A HA 0.052 4.370 4.320 -0.003 0.000 0.218 488 A C 2.426 180.014 177.584 0.006 0.000 1.169 488 A CA 1.443 53.480 52.037 0.000 0.000 0.635 488 A CB -0.314 18.676 19.000 -0.018 0.000 0.810 488 A HN 0.355 nan 8.150 nan 0.000 0.445 489 R N -0.623 119.893 120.500 0.026 0.000 2.066 489 R HA -0.003 4.335 4.340 -0.003 0.000 0.232 489 R C 2.040 178.424 176.300 0.140 0.000 1.131 489 R CA 1.401 57.493 56.100 -0.013 0.000 0.955 489 R CB -0.493 29.652 30.300 -0.259 0.000 0.851 489 R HN 0.488 nan 8.270 nan 0.000 0.432 490 L N 0.144 121.518 121.223 0.253 0.000 2.046 490 L HA -0.183 4.156 4.340 -0.003 0.000 0.208 490 L C 2.814 179.644 176.870 -0.068 0.000 1.077 490 L CA 1.340 56.227 54.840 0.078 0.000 0.747 490 L CB -0.403 41.716 42.059 0.101 0.000 0.896 490 L HN 0.193 nan 8.230 nan 0.000 0.432 491 R N 0.197 120.713 120.500 0.026 0.000 2.083 491 R HA -0.194 4.144 4.340 -0.003 0.000 0.237 491 R C 2.318 178.624 176.300 0.010 0.000 1.137 491 R CA 1.556 57.681 56.100 0.042 0.000 0.951 491 R CB -0.255 30.061 30.300 0.025 0.000 0.851 491 R HN 0.350 nan 8.270 nan 0.000 0.434 492 A N 0.804 123.619 122.820 -0.008 0.000 1.933 492 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 492 A C 2.177 179.741 177.584 -0.033 0.000 1.175 492 A CA 1.543 53.568 52.037 -0.020 0.000 0.628 492 A CB -0.499 18.479 19.000 -0.038 0.000 0.814 492 A HN 0.515 nan 8.150 nan 0.000 0.444 493 M N -0.527 119.033 119.600 -0.067 0.000 2.132 493 M HA -0.077 4.402 4.480 -0.003 0.000 0.263 493 M C 2.250 178.523 176.300 -0.046 0.000 1.065 493 M CA 1.547 56.779 55.300 -0.112 0.000 1.122 493 M CB -0.196 32.316 32.600 -0.147 0.000 1.365 493 M HN 0.416 nan 8.290 nan 0.000 0.411 494 A N -0.126 122.646 122.820 -0.080 0.000 1.898 494 A HA -0.221 4.097 4.320 -0.003 0.000 0.216 494 A C 1.913 179.541 177.584 0.073 0.000 1.181 494 A CA 1.957 53.996 52.037 0.004 0.000 0.620 494 A CB -0.851 18.200 19.000 0.085 0.000 0.819 494 A HN 0.689 nan 8.150 nan 0.000 0.442 495 E N -0.248 119.985 120.200 0.055 0.000 2.153 495 E HA -0.090 4.259 4.350 -0.003 0.000 0.194 495 E C 1.787 178.423 176.600 0.061 0.000 0.988 495 E CA 0.910 57.344 56.400 0.057 0.000 0.811 495 E CB -0.185 29.537 29.700 0.038 0.000 0.746 495 E HN 0.554 nan 8.360 nan 0.000 0.466 496 A N 0.033 122.892 122.820 0.065 0.000 2.238 496 A HA -0.006 4.313 4.320 -0.003 0.000 0.208 496 A C 1.684 179.341 177.584 0.123 0.000 1.177 496 A CA 1.084 53.176 52.037 0.091 0.000 0.804 496 A CB -0.061 19.003 19.000 0.107 0.000 0.823 496 A HN 0.325 nan 8.150 nan 0.000 0.482 497 T N -3.901 110.726 114.554 0.122 0.000 3.200 497 T HA 0.273 4.621 4.350 -0.003 0.000 0.284 497 T C -0.125 174.643 174.700 0.114 0.000 1.009 497 T CA 0.182 62.362 62.100 0.134 0.000 0.907 497 T CB -0.009 68.958 68.868 0.165 0.000 1.120 497 T HN 0.294 nan 8.240 nan 0.000 0.534 498 E N 0.974 121.232 120.200 0.097 0.000 2.389 498 E HA -0.189 4.159 4.350 -0.003 0.000 0.243 498 E C 0.381 177.043 176.600 0.103 0.000 1.154 498 E CA 0.350 56.803 56.400 0.089 0.000 0.723 498 E CB -1.451 28.296 29.700 0.079 0.000 1.261 498 E HN 0.667 nan 8.360 nan 0.000 0.390 499 R N -0.433 120.143 120.500 0.126 0.000 2.535 499 R HA 0.231 4.569 4.340 -0.003 0.000 0.323 499 R C 1.002 177.414 176.300 0.186 0.000 0.979 499 R CA -0.496 55.703 56.100 0.165 0.000 1.120 499 R CB 0.667 31.097 30.300 0.216 0.000 1.306 499 R HN 0.023 nan 8.270 nan 0.000 0.540 500 L N 0.000 121.306 121.223 0.139 0.000 2.949 500 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 500 L CA 0.000 54.913 54.840 0.121 0.000 0.813 500 L CB 0.000 42.112 42.059 0.088 0.000 0.961 500 L HN 0.000 nan 8.230 nan 0.000 0.502