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 1bj4_1_A DATA FIRST_RESID 11 DATA SEQUENCE DADLWSSHDA MLAQPLKDSD VEVYNIIKKE SNRQRVGLEL IASENFASRA DATA SEQUENCE VLEALGSCLN NKYSEGYPGQ RYYGGTEFID ELETLCQKRA LQAYKLDPQC DATA SEQUENCE WGVNVQPYSG SPANFAVYTA LVEPHGRIMG LDLPDGGHLT HGFMTDKKKI DATA SEQUENCE SATSIFFESM PYKVNPDTGY INYDQLEENA RLFHPKLIIA GTSCYSRNLE DATA SEQUENCE YARLRKIADE NGAYLMADMA HISGLVAAGV VPSPFEHCHV VTTTTHKTLR DATA SEQUENCE GCRAGMIFYR KGVKSVDPAT GKEILYNLES LINSAVFPGL QGGPHNHAIA DATA SEQUENCE GVAVALKQAM TLEFKVYQHQ VVANCRALSE ALTELGYKIV TGGSDNHLIL DATA SEQUENCE VDLRSKGTDG GRAEKVLEAC SIACNKNTCP GDRSALRPSG LRLGTPALTS DATA SEQUENCE RGLLEKDFQK VAHFIHRGIE LTLQIQSDTG VAATLKEFKE RLAGDKYQAA DATA SEQUENCE VQALREEVES FASLFPLPGL 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 11 D HA 0.000 nan 4.640 nan 0.000 0.175 11 D C 0.000 176.307 176.300 0.011 0.000 2.045 11 D CA 0.000 53.994 54.000 -0.009 0.000 0.868 11 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 12 A N 0.114 122.966 122.820 0.053 0.000 2.508 12 A HA 0.350 4.670 4.320 -0.000 0.000 0.250 12 A C 1.185 178.853 177.584 0.140 0.000 1.208 12 A CA 1.208 53.316 52.037 0.118 0.000 0.960 12 A CB 0.211 19.267 19.000 0.094 0.000 1.099 12 A HN 0.345 nan 8.150 nan 0.000 0.542 13 D N 0.039 120.498 120.400 0.098 0.000 2.123 13 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 13 D C 1.547 177.909 176.300 0.104 0.000 0.976 13 D CA 0.979 55.028 54.000 0.082 0.000 0.831 13 D CB 0.090 40.922 40.800 0.055 0.000 0.974 13 D HN 0.377 nan 8.370 nan 0.000 0.469 14 L N 0.079 121.381 121.223 0.132 0.000 2.341 14 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 14 L C 1.833 178.855 176.870 0.254 0.000 1.115 14 L CA 0.779 55.712 54.840 0.156 0.000 0.820 14 L CB -0.349 41.794 42.059 0.139 0.000 0.944 14 L HN 0.178 nan 8.230 nan 0.000 0.452 15 W N -0.929 120.385 121.300 0.024 0.000 2.467 15 W HA -0.134 4.526 4.660 0.000 0.000 0.275 15 W C 1.918 178.484 176.519 0.078 0.000 1.239 15 W CA 0.923 58.284 57.345 0.027 0.000 1.266 15 W CB 0.294 29.746 29.460 -0.013 0.000 1.112 15 W HN 0.145 nan 8.180 nan 0.000 0.576 16 S N -0.556 115.211 115.700 0.111 0.000 2.436 16 S HA -0.157 4.313 4.470 -0.000 0.000 0.228 16 S C 1.787 176.373 174.600 -0.024 0.000 1.014 16 S CA 1.176 59.378 58.200 0.004 0.000 0.950 16 S CB -0.157 63.066 63.200 0.038 0.000 0.784 16 S HN 0.201 nan 8.310 nan 0.000 0.504 17 S N 0.843 116.556 115.700 0.021 0.000 2.428 17 S HA -0.133 4.337 4.470 -0.000 0.000 0.230 17 S C 1.876 176.462 174.600 -0.024 0.000 1.014 17 S CA 0.787 58.990 58.200 0.006 0.000 0.957 17 S CB -0.381 62.843 63.200 0.040 0.000 0.784 17 S HN 0.724 nan 8.310 nan 0.000 0.499 18 H N 0.873 119.858 119.070 -0.143 0.000 2.333 18 H HA -0.035 4.521 4.556 -0.000 0.000 0.302 18 H C 1.327 176.484 175.328 -0.285 0.000 1.075 18 H CA 1.765 57.676 56.048 -0.229 0.000 1.348 18 H CB -0.441 29.084 29.762 -0.396 0.000 1.393 18 H HN 0.381 nan 8.280 nan 0.000 0.509 19 D N 0.772 120.996 120.400 -0.293 0.000 2.178 19 D HA -0.074 4.566 4.640 -0.000 0.000 0.201 19 D C 2.116 178.280 176.300 -0.226 0.000 0.980 19 D CA 1.093 54.918 54.000 -0.291 0.000 0.842 19 D CB -0.257 40.415 40.800 -0.214 0.000 0.948 19 D HN 0.504 nan 8.370 nan 0.000 0.472 20 A N 0.638 123.358 122.820 -0.168 0.000 2.014 20 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 20 A C 2.117 179.617 177.584 -0.139 0.000 1.163 20 A CA 0.714 52.677 52.037 -0.123 0.000 0.652 20 A CB -0.409 18.544 19.000 -0.079 0.000 0.808 20 A HN 0.176 nan 8.150 nan 0.000 0.449 21 M N -0.623 118.866 119.600 -0.184 0.000 2.200 21 M HA 0.033 4.513 4.480 -0.000 0.000 0.265 21 M C 1.391 177.574 176.300 -0.195 0.000 1.066 21 M CA 1.438 56.632 55.300 -0.176 0.000 1.127 21 M CB -0.133 32.355 32.600 -0.187 0.000 1.379 21 M HN 0.363 nan 8.290 nan 0.000 0.420 22 L N -0.288 120.773 121.223 -0.270 0.000 2.478 22 L HA 0.051 4.391 4.340 -0.000 0.000 0.223 22 L C 1.999 178.778 176.870 -0.152 0.000 1.140 22 L CA 0.483 55.189 54.840 -0.223 0.000 0.842 22 L CB -0.450 41.439 42.059 -0.282 0.000 0.953 22 L HN 0.367 nan 8.230 nan 0.000 0.452 23 A N -1.341 121.395 122.820 -0.140 0.000 2.431 23 A HA 0.070 4.390 4.320 -0.000 0.000 0.239 23 A C 0.931 178.464 177.584 -0.086 0.000 1.230 23 A CA -0.222 51.754 52.037 -0.102 0.000 0.928 23 A CB 0.099 19.042 19.000 -0.096 0.000 1.006 23 A HN 0.295 nan 8.150 nan 0.000 0.520 24 Q N 1.359 121.104 119.800 -0.092 0.000 2.313 24 Q HA 0.306 4.646 4.340 -0.000 0.000 0.266 24 Q C -2.449 173.508 176.000 -0.072 0.000 0.989 24 Q CA -1.768 53.987 55.803 -0.080 0.000 0.890 24 Q CB 0.643 29.332 28.738 -0.082 0.000 1.200 24 Q HN 0.170 nan 8.270 nan 0.000 0.396 25 P HA -0.063 nan 4.420 nan 0.000 0.272 25 P C 0.269 177.527 177.300 -0.070 0.000 1.223 25 P CA -0.312 62.748 63.100 -0.066 0.000 0.784 25 P CB 0.591 32.243 31.700 -0.080 0.000 0.923 26 L N 3.515 124.717 121.223 -0.035 0.000 2.043 26 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 26 L C 2.148 178.980 176.870 -0.064 0.000 1.075 26 L CA 1.978 56.818 54.840 -0.000 0.000 0.752 26 L CB -0.916 41.197 42.059 0.091 0.000 0.891 26 L HN 0.348 nan 8.230 nan 0.000 0.432 27 K N -0.832 119.424 120.400 -0.240 0.000 2.089 27 K HA -0.236 4.084 4.320 -0.000 0.000 0.210 27 K C 1.520 177.906 176.600 -0.357 0.000 1.048 27 K CA 2.177 58.057 56.287 -0.678 0.000 0.926 27 K CB -0.203 31.811 32.500 -0.809 0.000 0.714 27 K HN 0.553 nan 8.250 nan 0.000 0.448 28 D N -0.794 119.481 120.400 -0.209 0.000 2.259 28 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 28 D C 1.928 178.176 176.300 -0.085 0.000 0.961 28 D CA 0.611 54.531 54.000 -0.133 0.000 0.878 28 D CB -0.159 40.575 40.800 -0.109 0.000 1.009 28 D HN 0.150 nan 8.370 nan 0.000 0.490 29 S N -0.137 115.519 115.700 -0.074 0.000 2.368 29 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 29 S C 0.530 175.113 174.600 -0.028 0.000 1.030 29 S CA 1.141 59.311 58.200 -0.049 0.000 0.999 29 S CB 0.122 63.293 63.200 -0.048 0.000 0.844 29 S HN 0.032 nan 8.310 nan 0.000 0.459 30 D N 0.431 120.822 120.400 -0.014 0.000 2.586 30 D HA 0.201 4.841 4.640 -0.000 0.000 0.254 30 D C 0.991 177.322 176.300 0.051 0.000 1.248 30 D CA -0.019 53.990 54.000 0.016 0.000 0.843 30 D CB 1.028 41.843 40.800 0.026 0.000 1.332 30 D HN 0.155 nan 8.370 nan 0.000 0.523 31 V N 0.616 120.549 119.914 0.031 0.000 2.392 31 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 31 V C 2.029 178.192 176.094 0.116 0.000 1.059 31 V CA 1.582 63.924 62.300 0.070 0.000 1.051 31 V CB -0.530 31.308 31.823 0.025 0.000 0.658 31 V HN 0.365 nan 8.190 nan 0.000 0.455 32 E N 0.342 120.583 120.200 0.068 0.000 2.058 32 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 32 E C 2.136 178.772 176.600 0.061 0.000 0.997 32 E CA 2.047 58.480 56.400 0.055 0.000 0.801 32 E CB -0.116 29.605 29.700 0.034 0.000 0.746 32 E HN 0.534 nan 8.360 nan 0.000 0.450 33 V N 0.159 120.114 119.914 0.067 0.000 2.488 33 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 33 V C 1.907 178.043 176.094 0.072 0.000 1.046 33 V CA 1.660 63.992 62.300 0.055 0.000 1.053 33 V CB -0.536 31.314 31.823 0.046 0.000 0.679 33 V HN 0.405 nan 8.190 nan 0.000 0.458 34 Y N 2.067 122.363 120.300 -0.006 0.000 2.128 34 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 34 Y C 2.500 178.399 175.900 -0.003 0.000 1.154 34 Y CA 2.135 60.231 58.100 -0.006 0.000 1.149 34 Y CB -0.280 38.175 38.460 -0.009 0.000 0.976 34 Y HN 0.316 nan 8.280 nan 0.000 0.505 35 N N 0.540 119.283 118.700 0.070 0.000 2.120 35 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 35 N C 1.993 177.463 175.510 -0.067 0.000 1.024 35 N CA 1.893 54.938 53.050 -0.009 0.000 0.852 35 N CB -0.491 38.033 38.487 0.062 0.000 1.003 35 N HN 0.461 nan 8.380 nan 0.000 0.424 36 I N 1.092 121.640 120.570 -0.037 0.000 2.208 36 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 36 I C 2.030 178.106 176.117 -0.069 0.000 1.097 36 I CA 0.974 62.253 61.300 -0.036 0.000 1.363 36 I CB -0.245 37.747 38.000 -0.014 0.000 1.051 36 I HN 0.050 nan 8.210 nan 0.000 0.413 37 I N 0.362 120.865 120.570 -0.111 0.000 2.226 37 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 37 I C 2.585 178.599 176.117 -0.171 0.000 1.100 37 I CA 1.143 62.362 61.300 -0.135 0.000 1.374 37 I CB -0.396 37.504 38.000 -0.167 0.000 1.057 37 I HN 0.156 nan 8.210 nan 0.000 0.413 38 K N 1.324 121.566 120.400 -0.263 0.000 2.026 38 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 38 K C 2.029 178.563 176.600 -0.111 0.000 1.048 38 K CA 1.464 57.616 56.287 -0.225 0.000 0.929 38 K CB -0.344 31.991 32.500 -0.275 0.000 0.713 38 K HN 0.357 nan 8.250 nan 0.000 0.439 39 K N 0.648 121.000 120.400 -0.081 0.000 2.097 39 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 39 K C 2.096 178.679 176.600 -0.029 0.000 1.049 39 K CA 1.396 57.658 56.287 -0.041 0.000 0.933 39 K CB -0.062 32.423 32.500 -0.026 0.000 0.717 39 K HN 0.062 nan 8.250 nan 0.000 0.442 40 E N 1.097 121.277 120.200 -0.033 0.000 2.072 40 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 40 E C 2.010 178.608 176.600 -0.002 0.000 0.985 40 E CA 1.502 57.895 56.400 -0.011 0.000 0.801 40 E CB -0.265 29.428 29.700 -0.012 0.000 0.750 40 E HN 0.090 nan 8.360 nan 0.000 0.452 41 S N -0.386 115.298 115.700 -0.027 0.000 2.382 41 S HA -0.205 4.265 4.470 -0.000 0.000 0.228 41 S C 1.917 176.503 174.600 -0.023 0.000 1.027 41 S CA 1.606 59.791 58.200 -0.024 0.000 0.991 41 S CB -0.566 62.600 63.200 -0.056 0.000 0.823 41 S HN 0.467 nan 8.310 nan 0.000 0.469 42 N N 1.212 119.896 118.700 -0.027 0.000 2.142 42 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 42 N C 1.999 177.508 175.510 -0.002 0.000 1.023 42 N CA 1.413 54.452 53.050 -0.019 0.000 0.852 42 N CB -0.349 38.126 38.487 -0.020 0.000 0.998 42 N HN 0.392 nan 8.380 nan 0.000 0.424 43 R N 0.227 120.732 120.500 0.007 0.000 2.091 43 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 43 R C 1.981 178.308 176.300 0.044 0.000 1.136 43 R CA 1.702 57.816 56.100 0.023 0.000 0.959 43 R CB -0.183 30.131 30.300 0.024 0.000 0.856 43 R HN 0.470 nan 8.270 nan 0.000 0.437 44 Q N -0.460 119.376 119.800 0.060 0.000 2.167 44 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 44 Q C 2.240 178.272 176.000 0.053 0.000 0.970 44 Q CA 1.210 57.083 55.803 0.116 0.000 0.855 44 Q CB -0.063 28.789 28.738 0.189 0.000 0.911 44 Q HN 0.306 nan 8.270 nan 0.000 0.438 45 R N 0.449 120.945 120.500 -0.007 0.000 2.062 45 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 45 R C 2.206 178.500 176.300 -0.011 0.000 1.136 45 R CA 1.694 57.767 56.100 -0.044 0.000 0.948 45 R CB -0.116 30.156 30.300 -0.048 0.000 0.845 45 R HN 0.296 nan 8.270 nan 0.000 0.430 46 V N -1.746 118.172 119.914 0.007 0.000 3.510 46 V HA 0.266 4.386 4.120 -0.000 0.000 0.270 46 V C 0.705 176.822 176.094 0.038 0.000 1.201 46 V CA 0.665 62.978 62.300 0.021 0.000 1.166 46 V CB -0.267 31.566 31.823 0.017 0.000 0.825 46 V HN 0.256 nan 8.190 nan 0.000 0.484 47 G N -0.083 108.746 108.800 0.048 0.000 2.462 47 G HA2 0.623 4.583 3.960 -0.000 0.000 0.319 47 G HA3 0.623 4.583 3.960 -0.000 0.000 0.319 47 G C -0.928 174.016 174.900 0.074 0.000 1.171 47 G CA -0.990 44.148 45.100 0.063 0.000 0.920 47 G HN 0.272 nan 8.290 nan 0.000 0.499 48 L N 1.223 122.494 121.223 0.081 0.000 2.287 48 L HA 0.264 4.604 4.340 -0.000 0.000 0.280 48 L C -0.152 176.770 176.870 0.086 0.000 1.055 48 L CA -0.645 54.241 54.840 0.078 0.000 0.863 48 L CB 1.329 43.454 42.059 0.111 0.000 1.245 48 L HN 0.436 nan 8.230 nan 0.000 0.432 49 E N 3.492 123.757 120.200 0.108 0.000 2.070 49 E HA 0.195 4.545 4.350 -0.000 0.000 0.282 49 E C -0.069 176.592 176.600 0.102 0.000 1.104 49 E CA 0.234 56.696 56.400 0.104 0.000 0.876 49 E CB 0.716 30.488 29.700 0.121 0.000 1.055 49 E HN 0.467 nan 8.360 nan 0.000 0.401 50 L N 5.128 126.406 121.223 0.091 0.000 3.122 50 L HA 0.375 4.715 4.340 -0.000 0.000 0.274 50 L C -0.021 176.896 176.870 0.077 0.000 1.222 50 L CA -0.205 54.699 54.840 0.106 0.000 1.028 50 L CB 0.316 42.441 42.059 0.111 0.000 1.386 50 L HN 0.518 nan 8.230 nan 0.000 0.578 51 I N 0.754 121.362 120.570 0.062 0.000 2.436 51 I HA 0.044 4.214 4.170 -0.000 0.000 0.289 51 I C 1.673 177.844 176.117 0.090 0.000 1.083 51 I CA -0.070 61.267 61.300 0.061 0.000 1.372 51 I CB 1.519 39.546 38.000 0.045 0.000 1.408 51 I HN 0.190 nan 8.210 nan 0.000 0.516 52 A N 4.714 127.610 122.820 0.126 0.000 1.958 52 A HA -0.226 4.094 4.320 -0.000 0.000 0.221 52 A C 2.239 179.998 177.584 0.290 0.000 1.178 52 A CA 2.355 54.528 52.037 0.227 0.000 0.642 52 A CB -0.590 18.531 19.000 0.202 0.000 0.816 52 A HN 0.808 nan 8.150 nan 0.000 0.453 53 S N -0.686 115.143 115.700 0.215 0.000 2.603 53 S HA 0.081 4.551 4.470 -0.000 0.000 0.220 53 S C 0.479 175.070 174.600 -0.015 0.000 0.967 53 S CA -0.072 58.131 58.200 0.004 0.000 0.920 53 S CB -0.041 63.186 63.200 0.046 0.000 0.773 53 S HN 0.538 nan 8.310 nan 0.000 0.529 54 E N 1.855 122.053 120.200 -0.004 0.000 2.314 54 E HA 0.510 4.860 4.350 -0.000 0.000 0.262 54 E C -0.204 176.309 176.600 -0.145 0.000 1.093 54 E CA -0.347 55.998 56.400 -0.091 0.000 0.908 54 E CB 0.713 30.338 29.700 -0.126 0.000 1.091 54 E HN 0.251 nan 8.360 nan 0.000 0.425 55 N N -0.176 118.337 118.700 -0.311 0.000 3.373 55 N HA 0.276 5.016 4.740 -0.000 0.000 0.275 55 N C -1.902 173.235 175.510 -0.622 0.000 1.489 55 N CA -0.468 52.380 53.050 -0.337 0.000 0.872 55 N CB 0.604 39.053 38.487 -0.064 0.000 1.555 55 N HN 0.177 nan 8.380 nan 0.000 0.500 56 F N 1.134 121.107 119.950 0.038 0.000 2.499 56 F HA 0.665 5.192 4.527 -0.000 0.000 0.333 56 F C 0.651 176.453 175.800 0.004 0.000 1.138 56 F CA -0.752 57.257 58.000 0.015 0.000 0.945 56 F CB 1.595 40.597 39.000 0.002 0.000 1.181 56 F HN 0.491 nan 8.300 nan 0.000 0.435 57 A N 2.147 125.065 122.820 0.164 0.000 2.425 57 A HA 0.508 4.828 4.320 -0.000 0.000 0.249 57 A C 0.457 178.093 177.584 0.087 0.000 1.084 57 A CA -0.270 51.826 52.037 0.099 0.000 0.781 57 A CB 0.011 19.052 19.000 0.069 0.000 1.019 57 A HN 0.837 nan 8.150 nan 0.000 0.490 58 S N 2.063 117.795 115.700 0.053 0.000 2.584 58 S HA 0.134 4.604 4.470 -0.000 0.000 0.270 58 S C 1.299 175.914 174.600 0.025 0.000 1.346 58 S CA -0.153 58.066 58.200 0.031 0.000 1.018 58 S CB 0.715 63.924 63.200 0.015 0.000 0.899 58 S HN 0.786 nan 8.310 nan 0.000 0.542 59 R N 1.150 121.658 120.500 0.014 0.000 2.081 59 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 59 R C 2.362 178.667 176.300 0.008 0.000 1.131 59 R CA 1.642 57.748 56.100 0.010 0.000 0.960 59 R CB -1.457 28.844 30.300 0.002 0.000 0.856 59 R HN 0.886 nan 8.270 nan 0.000 0.436 60 A N 0.307 123.130 122.820 0.005 0.000 1.908 60 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 60 A C 2.401 179.988 177.584 0.005 0.000 1.181 60 A CA 1.735 53.773 52.037 0.001 0.000 0.627 60 A CB -0.590 18.408 19.000 -0.004 0.000 0.818 60 A HN 0.208 nan 8.150 nan 0.000 0.445 61 V N 0.034 119.953 119.914 0.009 0.000 2.307 61 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 61 V C 2.545 178.651 176.094 0.020 0.000 1.045 61 V CA 1.857 64.165 62.300 0.013 0.000 1.024 61 V CB -0.695 31.138 31.823 0.018 0.000 0.651 61 V HN 0.579 nan 8.190 nan 0.000 0.449 62 L N -0.375 120.862 121.223 0.023 0.000 2.131 62 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 62 L C 2.532 179.415 176.870 0.022 0.000 1.092 62 L CA 1.599 56.454 54.840 0.025 0.000 0.759 62 L CB -0.629 41.446 42.059 0.026 0.000 0.903 62 L HN 0.416 nan 8.230 nan 0.000 0.435 63 E N 0.160 120.370 120.200 0.016 0.000 2.106 63 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 63 E C 2.332 178.941 176.600 0.015 0.000 0.984 63 E CA 1.044 57.450 56.400 0.011 0.000 0.806 63 E CB -0.114 29.589 29.700 0.004 0.000 0.750 63 E HN 0.499 nan 8.360 nan 0.000 0.458 64 A N 1.158 123.990 122.820 0.019 0.000 1.972 64 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 64 A C 2.147 179.764 177.584 0.055 0.000 1.169 64 A CA 0.926 52.979 52.037 0.027 0.000 0.635 64 A CB -0.551 18.463 19.000 0.023 0.000 0.810 64 A HN 0.146 nan 8.150 nan 0.000 0.446 65 L N -0.895 120.366 121.223 0.063 0.000 2.131 65 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 65 L C 2.452 179.370 176.870 0.081 0.000 1.092 65 L CA 1.046 55.955 54.840 0.114 0.000 0.759 65 L CB -0.482 41.633 42.059 0.094 0.000 0.903 65 L HN 0.508 nan 8.230 nan 0.000 0.435 66 G N -0.745 108.072 108.800 0.028 0.000 3.088 66 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.212 66 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.212 66 G C 0.740 175.624 174.900 -0.027 0.000 1.173 66 G CA 0.330 45.423 45.100 -0.012 0.000 0.779 66 G HN 0.401 nan 8.290 nan 0.000 0.540 67 S N -0.770 114.925 115.700 -0.008 0.000 2.608 67 S HA 0.067 4.537 4.470 -0.000 0.000 0.261 67 S C 1.899 176.477 174.600 -0.037 0.000 1.314 67 S CA 0.039 58.230 58.200 -0.015 0.000 0.992 67 S CB 0.857 64.060 63.200 0.005 0.000 0.935 67 S HN 0.681 nan 8.310 nan 0.000 0.564 68 C N 0.305 119.587 119.300 -0.030 0.000 2.466 68 C HA 0.157 4.617 4.460 -0.000 0.000 0.283 68 C C 2.168 177.145 174.990 -0.021 0.000 1.472 68 C CA -0.212 58.787 59.018 -0.032 0.000 1.765 68 C CB -2.178 25.550 27.740 -0.020 0.000 1.724 68 C HN 0.799 nan 8.230 nan 0.000 0.560 69 L N 1.427 122.649 121.223 -0.001 0.000 2.353 69 L HA -0.107 4.233 4.340 -0.000 0.000 0.220 69 L C 2.609 179.483 176.870 0.006 0.000 1.133 69 L CA 1.082 55.942 54.840 0.033 0.000 0.798 69 L CB -0.824 41.281 42.059 0.077 0.000 0.922 69 L HN 0.508 nan 8.230 nan 0.000 0.445 70 N N 0.436 119.066 118.700 -0.117 0.000 2.205 70 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 70 N C 1.366 176.764 175.510 -0.186 0.000 1.015 70 N CA 1.229 54.085 53.050 -0.322 0.000 0.862 70 N CB -0.141 38.078 38.487 -0.446 0.000 0.986 70 N HN 0.492 nan 8.380 nan 0.000 0.429 71 N N 1.146 119.790 118.700 -0.094 0.000 2.270 71 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 71 N C 0.673 176.194 175.510 0.018 0.000 1.016 71 N CA 0.637 53.665 53.050 -0.035 0.000 0.870 71 N CB -0.116 38.365 38.487 -0.009 0.000 0.979 71 N HN 0.097 nan 8.380 nan 0.000 0.431 72 K N 0.997 121.414 120.400 0.028 0.000 2.349 72 K HA 0.053 4.373 4.320 -0.000 0.000 0.288 72 K C -1.214 175.422 176.600 0.060 0.000 1.058 72 K CA -0.116 56.218 56.287 0.079 0.000 0.953 72 K CB -0.323 32.228 32.500 0.086 0.000 0.997 72 K HN -0.054 nan 8.250 nan 0.000 0.477 73 Y N 2.475 122.846 120.300 0.118 0.000 2.365 73 Y HA 0.111 4.661 4.550 0.000 0.000 0.340 73 Y C 0.468 176.403 175.900 0.059 0.000 1.016 73 Y CA 0.591 58.763 58.100 0.121 0.000 1.196 73 Y CB 0.933 39.562 38.460 0.282 0.000 1.167 73 Y HN 0.700 nan 8.280 nan 0.000 0.509 74 S N 2.222 117.933 115.700 0.018 0.000 2.617 74 S HA 0.284 4.754 4.470 -0.000 0.000 0.237 74 S C -0.594 173.812 174.600 -0.324 0.000 1.142 74 S CA -0.915 57.232 58.200 -0.089 0.000 1.167 74 S CB -0.462 62.700 63.200 -0.063 0.000 1.068 74 S HN 0.690 nan 8.310 nan 0.000 0.470 75 E N 1.491 121.405 120.200 -0.476 0.000 2.529 75 E HA 0.415 4.765 4.350 -0.000 0.000 0.259 75 E C 0.986 176.908 176.600 -1.130 0.000 0.966 75 E CA 1.239 57.018 56.400 -1.034 0.000 0.937 75 E CB 0.210 29.242 29.700 -1.114 0.000 0.923 75 E HN 0.824 nan 8.360 nan 0.000 0.468 76 G N 1.938 109.847 108.800 -1.486 0.000 2.378 76 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.198 76 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.198 76 G C -1.597 172.732 174.900 -0.951 0.000 1.223 76 G CA -0.825 43.704 45.100 -0.952 0.000 1.088 76 G HN 0.395 nan 8.290 nan 0.000 0.530 77 Y N -0.249 119.985 120.300 -0.110 0.000 2.634 77 Y HA 0.631 5.181 4.550 -0.000 0.000 0.340 77 Y C -2.135 173.748 175.900 -0.027 0.000 1.058 77 Y CA -2.057 56.007 58.100 -0.059 0.000 1.081 77 Y CB 1.711 40.160 38.460 -0.018 0.000 1.295 77 Y HN 0.404 nan 8.280 nan 0.000 0.487 78 P HA 0.116 nan 4.420 nan 0.000 0.263 78 P C 0.465 177.819 177.300 0.090 0.000 1.195 78 P CA 1.869 65.022 63.100 0.088 0.000 0.762 78 P CB 0.274 32.020 31.700 0.078 0.000 0.799 79 G N 2.761 111.601 108.800 0.066 0.000 2.148 79 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 79 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 79 G C 0.296 175.246 174.900 0.084 0.000 0.981 79 G CA 0.322 45.460 45.100 0.063 0.000 0.670 79 G HN 0.632 nan 8.290 nan 0.000 0.528 80 Q N -0.503 119.360 119.800 0.106 0.000 2.556 80 Q HA 0.211 4.551 4.340 -0.000 0.000 0.301 80 Q C 0.272 176.350 176.000 0.130 0.000 0.768 80 Q CA -0.607 55.280 55.803 0.140 0.000 1.054 80 Q CB 0.241 29.091 28.738 0.187 0.000 1.425 80 Q HN 0.336 nan 8.270 nan 0.000 0.378 81 R N -0.093 120.464 120.500 0.097 0.000 2.528 81 R HA 0.223 4.563 4.340 -0.000 0.000 0.271 81 R C 0.229 176.658 176.300 0.216 0.000 1.056 81 R CA -0.293 55.845 56.100 0.064 0.000 1.117 81 R CB 0.355 30.675 30.300 0.033 0.000 1.085 81 R HN 0.279 nan 8.270 nan 0.000 0.530 82 Y N -0.009 120.225 120.300 -0.110 0.000 2.262 82 Y HA 0.077 4.627 4.550 0.000 0.000 0.295 82 Y C 0.495 176.459 175.900 0.107 0.000 1.121 82 Y CA 0.621 58.682 58.100 -0.064 0.000 1.144 82 Y CB -0.086 38.226 38.460 -0.246 0.000 1.043 82 Y HN 0.335 nan 8.280 nan 0.000 0.528 83 Y N -0.546 119.857 120.300 0.171 0.000 2.432 83 Y HA 0.575 5.125 4.550 0.000 0.000 0.322 83 Y C 1.002 176.937 175.900 0.058 0.000 1.246 83 Y CA -1.729 56.425 58.100 0.090 0.000 1.268 83 Y CB 0.010 38.522 38.460 0.087 0.000 1.276 83 Y HN -0.087 nan 8.280 nan 0.000 0.499 84 G N -0.884 108.040 108.800 0.208 0.000 2.532 84 G HA2 0.443 4.403 3.960 -0.000 0.000 0.291 84 G HA3 0.443 4.403 3.960 -0.000 0.000 0.291 84 G C 0.378 175.327 174.900 0.082 0.000 1.349 84 G CA -0.531 44.632 45.100 0.105 0.000 1.038 84 G HN 1.234 nan 8.290 nan 0.000 0.518 85 G N -1.466 107.350 108.800 0.027 0.000 2.314 85 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.292 85 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.292 85 G C 0.655 175.553 174.900 -0.004 0.000 1.059 85 G CA 1.302 46.401 45.100 -0.001 0.000 0.982 85 G HN 1.749 nan 8.290 nan 0.000 0.505 86 T N -3.058 111.479 114.554 -0.028 0.000 3.182 86 T HA 0.402 4.752 4.350 -0.000 0.000 0.277 86 T C 1.573 176.221 174.700 -0.086 0.000 1.013 86 T CA 0.779 62.866 62.100 -0.021 0.000 0.900 86 T CB 0.358 69.233 68.868 0.012 0.000 1.098 86 T HN 0.726 nan 8.240 nan 0.000 0.543 87 E N 0.750 120.812 120.200 -0.230 0.000 2.160 87 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 87 E C 0.947 177.385 176.600 -0.270 0.000 0.991 87 E CA 1.224 57.432 56.400 -0.321 0.000 0.810 87 E CB -0.565 28.830 29.700 -0.508 0.000 0.742 87 E HN 0.517 nan 8.360 nan 0.000 0.466 88 F N 0.805 120.770 119.950 0.024 0.000 2.335 88 F HA 0.106 4.633 4.527 -0.000 0.000 0.296 88 F C 2.162 177.973 175.800 0.019 0.000 1.091 88 F CA 0.038 58.050 58.000 0.020 0.000 1.399 88 F CB -0.203 38.808 39.000 0.018 0.000 1.067 88 F HN 0.030 nan 8.300 nan 0.000 0.520 89 I N 0.254 120.918 120.570 0.157 0.000 2.315 89 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 89 I C 1.727 177.882 176.117 0.064 0.000 1.117 89 I CA 1.232 62.590 61.300 0.097 0.000 1.404 89 I CB -1.119 36.919 38.000 0.064 0.000 1.071 89 I HN 0.080 nan 8.210 nan 0.000 0.419 90 D N 0.708 121.134 120.400 0.044 0.000 2.144 90 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 90 D C 2.117 178.447 176.300 0.050 0.000 0.978 90 D CA 0.891 54.912 54.000 0.035 0.000 0.833 90 D CB -0.081 40.728 40.800 0.015 0.000 0.961 90 D HN 0.404 nan 8.370 nan 0.000 0.470 91 E N -0.127 120.117 120.200 0.072 0.000 2.077 91 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 91 E C 2.026 178.668 176.600 0.070 0.000 0.989 91 E CA 0.369 56.819 56.400 0.084 0.000 0.800 91 E CB -0.021 29.764 29.700 0.142 0.000 0.746 91 E HN 0.092 nan 8.360 nan 0.000 0.452 92 L N 1.393 122.663 121.223 0.077 0.000 2.027 92 L HA -0.172 4.168 4.340 -0.000 0.000 0.206 92 L C 2.186 179.079 176.870 0.038 0.000 1.074 92 L CA 1.957 56.830 54.840 0.055 0.000 0.745 92 L CB -0.365 41.731 42.059 0.061 0.000 0.898 92 L HN 0.050 nan 8.230 nan 0.000 0.433 93 E N -1.415 118.809 120.200 0.039 0.000 2.106 93 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 93 E C 1.812 178.430 176.600 0.030 0.000 0.984 93 E CA 1.572 57.991 56.400 0.032 0.000 0.806 93 E CB -0.015 29.707 29.700 0.038 0.000 0.750 93 E HN 0.566 nan 8.360 nan 0.000 0.458 94 T N 1.201 115.777 114.554 0.036 0.000 2.867 94 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 94 T C 1.677 176.390 174.700 0.021 0.000 1.057 94 T CA 0.834 62.953 62.100 0.031 0.000 1.136 94 T CB -0.115 68.774 68.868 0.035 0.000 0.874 94 T HN 0.116 nan 8.240 nan 0.000 0.466 95 L N 0.757 121.994 121.223 0.022 0.000 2.072 95 L HA 0.085 4.425 4.340 -0.000 0.000 0.205 95 L C 2.620 179.493 176.870 0.005 0.000 1.079 95 L CA 1.384 56.233 54.840 0.015 0.000 0.752 95 L CB -1.073 40.997 42.059 0.019 0.000 0.906 95 L HN 0.342 nan 8.230 nan 0.000 0.436 96 C N 0.449 119.752 119.300 0.004 0.000 2.413 96 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 96 C C 2.924 177.905 174.990 -0.013 0.000 1.248 96 C CA 1.372 60.387 59.018 -0.005 0.000 1.742 96 C CB -1.035 26.701 27.740 -0.006 0.000 2.017 96 C HN 0.797 nan 8.230 nan 0.000 0.481 97 Q N 0.198 119.988 119.800 -0.017 0.000 2.245 97 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 97 Q C 2.185 178.179 176.000 -0.010 0.000 0.955 97 Q CA 1.169 56.951 55.803 -0.035 0.000 0.870 97 Q CB -0.519 28.192 28.738 -0.045 0.000 0.945 97 Q HN 0.678 nan 8.270 nan 0.000 0.461 98 K N 1.357 121.756 120.400 -0.000 0.000 2.057 98 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 98 K C 2.190 178.791 176.600 0.001 0.000 1.050 98 K CA 1.020 57.309 56.287 0.004 0.000 0.935 98 K CB 0.102 32.604 32.500 0.004 0.000 0.715 98 K HN 0.167 nan 8.250 nan 0.000 0.439 99 R N -0.047 120.450 120.500 -0.004 0.000 2.075 99 R HA -0.066 4.274 4.340 -0.000 0.000 0.232 99 R C 2.406 178.712 176.300 0.010 0.000 1.126 99 R CA 1.115 57.206 56.100 -0.015 0.000 0.963 99 R CB -0.324 29.961 30.300 -0.025 0.000 0.858 99 R HN 0.222 nan 8.270 nan 0.000 0.435 100 A N 1.378 124.232 122.820 0.056 0.000 1.908 100 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 100 A C 2.168 179.923 177.584 0.285 0.000 1.181 100 A CA 1.252 53.405 52.037 0.194 0.000 0.627 100 A CB -0.536 18.527 19.000 0.105 0.000 0.818 100 A HN 0.181 nan 8.150 nan 0.000 0.445 101 L N -1.112 120.200 121.223 0.148 0.000 2.093 101 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 101 L C 2.876 179.717 176.870 -0.048 0.000 1.085 101 L CA 1.388 56.268 54.840 0.068 0.000 0.755 101 L CB -0.581 41.503 42.059 0.042 0.000 0.904 101 L HN 0.493 nan 8.230 nan 0.000 0.435 102 Q N -0.065 119.707 119.800 -0.048 0.000 2.046 102 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 102 Q C 2.483 178.376 176.000 -0.178 0.000 0.975 102 Q CA 1.459 57.203 55.803 -0.098 0.000 0.836 102 Q CB -0.306 28.386 28.738 -0.076 0.000 0.896 102 Q HN 0.530 nan 8.270 nan 0.000 0.428 103 A N 0.199 122.894 122.820 -0.208 0.000 2.042 103 A HA -0.197 4.123 4.320 -0.000 0.000 0.222 103 A C 1.033 178.155 177.584 -0.770 0.000 1.167 103 A CA 1.432 53.209 52.037 -0.433 0.000 0.649 103 A CB -0.498 18.245 19.000 -0.429 0.000 0.809 103 A HN 0.466 nan 8.150 nan 0.000 0.457 104 Y N -1.381 118.698 120.300 -0.369 0.000 2.584 104 Y HA 0.273 4.823 4.550 -0.000 0.000 0.254 104 Y C 0.206 175.779 175.900 -0.545 0.000 1.177 104 Y CA -0.318 57.430 58.100 -0.587 0.000 1.216 104 Y CB 0.100 37.846 38.460 -1.190 0.000 1.172 104 Y HN 0.254 nan 8.280 nan 0.000 0.529 105 K N 1.172 121.395 120.400 -0.295 0.000 3.653 105 K HA -0.194 4.126 4.320 -0.000 0.000 0.275 105 K C -1.175 175.286 176.600 -0.232 0.000 0.962 105 K CA 0.389 56.549 56.287 -0.211 0.000 0.773 105 K CB -1.911 30.490 32.500 -0.164 0.000 1.463 105 K HN 0.339 nan 8.250 nan 0.000 0.450 106 L N 0.699 121.778 121.223 -0.239 0.000 2.322 106 L HA 0.296 4.636 4.340 -0.000 0.000 0.281 106 L C 0.362 177.233 176.870 0.002 0.000 1.014 106 L CA -1.118 53.605 54.840 -0.196 0.000 0.815 106 L CB 1.325 43.134 42.059 -0.417 0.000 1.247 106 L HN 0.089 nan 8.230 nan 0.000 0.421 107 D N 4.506 124.971 120.400 0.109 0.000 2.358 107 D HA 0.120 4.760 4.640 -0.000 0.000 0.258 107 D C -1.696 174.687 176.300 0.138 0.000 1.223 107 D CA -1.790 52.272 54.000 0.103 0.000 0.886 107 D CB 1.608 42.470 40.800 0.103 0.000 1.120 107 D HN 0.196 nan 8.370 nan 0.000 0.482 108 P HA -0.148 nan 4.420 nan 0.000 0.220 108 P C 0.836 178.187 177.300 0.084 0.000 1.144 108 P CA 1.212 64.364 63.100 0.086 0.000 0.800 108 P CB 0.214 31.946 31.700 0.053 0.000 0.772 109 Q N -2.442 117.402 119.800 0.074 0.000 2.389 109 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 109 Q C 1.439 177.469 176.000 0.050 0.000 0.944 109 Q CA 0.810 56.648 55.803 0.058 0.000 0.908 109 Q CB -0.179 28.587 28.738 0.046 0.000 1.002 109 Q HN 0.287 nan 8.270 nan 0.000 0.493 110 C N -1.439 117.897 119.300 0.060 0.000 2.935 110 C HA 0.175 4.635 4.460 -0.000 0.000 0.308 110 C C 0.003 174.849 174.990 -0.240 0.000 1.263 110 C CA -0.479 58.513 59.018 -0.043 0.000 1.738 110 C CB -0.036 27.712 27.740 0.013 0.000 2.237 110 C HN 0.429 nan 8.230 nan 0.000 0.600 111 W N -0.222 121.079 121.300 0.002 0.000 2.950 111 W HA 0.590 5.250 4.660 -0.000 0.000 0.340 111 W C 0.130 176.583 176.519 -0.110 0.000 1.139 111 W CA -0.177 57.143 57.345 -0.041 0.000 1.188 111 W CB 0.994 30.434 29.460 -0.034 0.000 1.426 111 W HN 0.121 nan 8.180 nan 0.000 0.531 112 G N 0.205 108.966 108.800 -0.064 0.000 2.680 112 G HA2 0.686 4.646 3.960 -0.000 0.000 0.290 112 G HA3 0.686 4.646 3.960 -0.000 0.000 0.290 112 G C -2.218 172.119 174.900 -0.938 0.000 1.355 112 G CA -0.866 43.987 45.100 -0.411 0.000 0.903 112 G HN 0.607 nan 8.290 nan 0.000 0.474 113 V N 0.276 119.801 119.914 -0.648 0.000 2.932 113 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 113 V C -1.630 174.339 176.094 -0.207 0.000 1.147 113 V CA -1.137 60.809 62.300 -0.591 0.000 0.951 113 V CB 2.268 33.681 31.823 -0.684 0.000 1.031 113 V HN 0.778 nan 8.190 nan 0.000 0.426 114 N N 3.878 122.514 118.700 -0.107 0.000 2.417 114 N HA 0.339 5.079 4.740 -0.000 0.000 0.274 114 N C 0.100 175.548 175.510 -0.104 0.000 0.987 114 N CA 0.059 53.105 53.050 -0.005 0.000 0.912 114 N CB 2.003 40.536 38.487 0.078 0.000 1.177 114 N HN 0.781 nan 8.380 nan 0.000 0.490 115 V N 1.438 121.312 119.914 -0.065 0.000 3.342 115 V HA 0.242 4.362 4.120 -0.000 0.000 0.322 115 V C 1.203 177.265 176.094 -0.053 0.000 1.370 115 V CA 0.220 62.469 62.300 -0.084 0.000 1.170 115 V CB -0.054 31.725 31.823 -0.073 0.000 1.101 115 V HN 0.556 nan 8.190 nan 0.000 0.442 116 Q N 0.478 120.252 119.800 -0.043 0.000 2.354 116 Q HA 0.184 4.524 4.340 -0.000 0.000 0.203 116 Q C -1.545 174.329 176.000 -0.210 0.000 0.933 116 Q CA -0.449 55.295 55.803 -0.099 0.000 0.901 116 Q CB -0.731 27.950 28.738 -0.094 0.000 1.007 116 Q HN 0.542 nan 8.270 nan 0.000 0.495 117 P HA -0.151 nan 4.420 nan 0.000 0.260 117 P C -0.387 176.826 177.300 -0.145 0.000 1.172 117 P CA 0.691 63.657 63.100 -0.223 0.000 0.760 117 P CB 0.182 31.813 31.700 -0.116 0.000 0.773 118 Y N 1.153 121.376 120.300 -0.127 0.000 2.333 118 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 118 Y C 1.667 177.524 175.900 -0.071 0.000 1.144 118 Y CA 0.987 58.984 58.100 -0.171 0.000 1.228 118 Y CB -0.218 38.108 38.460 -0.223 0.000 0.985 118 Y HN 0.300 nan 8.280 nan 0.000 0.542 119 S N -2.868 112.901 115.700 0.115 0.000 2.755 119 S HA 0.503 4.973 4.470 -0.000 0.000 0.286 119 S C 1.150 175.801 174.600 0.086 0.000 1.207 119 S CA -0.258 58.016 58.200 0.124 0.000 0.892 119 S CB 0.387 63.665 63.200 0.129 0.000 1.240 119 S HN 0.166 nan 8.310 nan 0.000 0.525 120 G N 1.224 110.082 108.800 0.097 0.000 2.394 120 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.214 120 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.214 120 G C 1.406 176.318 174.900 0.020 0.000 1.176 120 G CA 1.348 46.458 45.100 0.016 0.000 0.786 120 G HN 0.600 nan 8.290 nan 0.000 0.533 121 S N 1.787 117.528 115.700 0.069 0.000 2.370 121 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 121 S C 0.077 174.740 174.600 0.104 0.000 1.033 121 S CA 1.616 59.887 58.200 0.118 0.000 1.011 121 S CB -0.902 62.396 63.200 0.163 0.000 0.852 121 S HN 0.299 nan 8.310 nan 0.000 0.457 122 P HA 0.049 nan 4.420 nan 0.000 0.220 122 P C 1.367 178.677 177.300 0.017 0.000 1.148 122 P CA 1.174 64.309 63.100 0.057 0.000 0.803 122 P CB -0.072 31.644 31.700 0.026 0.000 0.782 123 A N -0.090 122.717 122.820 -0.020 0.000 1.855 123 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 123 A C 2.144 179.645 177.584 -0.139 0.000 1.191 123 A CA 1.830 53.825 52.037 -0.069 0.000 0.613 123 A CB -1.432 17.534 19.000 -0.057 0.000 0.829 123 A HN 0.111 nan 8.150 nan 0.000 0.442 124 N N -0.831 117.777 118.700 -0.152 0.000 2.043 124 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 124 N C 1.446 176.442 175.510 -0.857 0.000 1.037 124 N CA 1.558 54.356 53.050 -0.420 0.000 0.851 124 N CB -0.707 37.689 38.487 -0.152 0.000 1.027 124 N HN 0.482 nan 8.380 nan 0.000 0.422 125 F N 1.669 121.344 119.950 -0.459 0.000 2.161 125 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 125 F C 2.183 177.856 175.800 -0.213 0.000 1.089 125 F CA 1.196 59.061 58.000 -0.225 0.000 1.282 125 F CB -0.324 38.714 39.000 0.063 0.000 1.010 125 F HN 0.048 nan 8.300 nan 0.000 0.485 126 A N -0.403 122.361 122.820 -0.094 0.000 1.902 126 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 126 A C 2.297 179.741 177.584 -0.233 0.000 1.181 126 A CA 2.050 54.019 52.037 -0.114 0.000 0.623 126 A CB -1.341 17.612 19.000 -0.077 0.000 0.818 126 A HN 0.236 nan 8.150 nan 0.000 0.443 127 V N -0.946 118.764 119.914 -0.341 0.000 2.295 127 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 127 V C 2.450 178.370 176.094 -0.290 0.000 1.049 127 V CA 1.969 64.079 62.300 -0.317 0.000 1.024 127 V CB -1.248 30.386 31.823 -0.315 0.000 0.648 127 V HN 0.641 nan 8.190 nan 0.000 0.447 128 Y N 1.079 121.150 120.300 -0.381 0.000 2.145 128 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 128 Y C 2.866 178.475 175.900 -0.486 0.000 1.145 128 Y CA 1.290 58.990 58.100 -0.666 0.000 1.148 128 Y CB -1.957 35.727 38.460 -1.293 0.000 0.981 128 Y HN 0.195 nan 8.280 nan 0.000 0.507 129 T N 0.123 114.549 114.554 -0.213 0.000 2.759 129 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 129 T C 2.158 176.842 174.700 -0.026 0.000 1.042 129 T CA 1.600 63.682 62.100 -0.029 0.000 1.140 129 T CB -0.539 68.248 68.868 -0.135 0.000 0.864 129 T HN 0.460 nan 8.240 nan 0.000 0.455 130 A N 0.240 123.003 122.820 -0.095 0.000 1.975 130 A HA 0.282 4.602 4.320 -0.000 0.000 0.215 130 A C 2.104 179.632 177.584 -0.093 0.000 1.170 130 A CA 0.723 52.702 52.037 -0.097 0.000 0.656 130 A CB -0.213 18.702 19.000 -0.142 0.000 0.821 130 A HN 0.478 nan 8.150 nan 0.000 0.449 131 L N -1.601 119.550 121.223 -0.120 0.000 2.500 131 L HA 0.103 4.443 4.340 -0.000 0.000 0.219 131 L C 2.025 178.914 176.870 0.032 0.000 1.057 131 L CA 0.233 55.001 54.840 -0.120 0.000 0.854 131 L CB 0.046 41.860 42.059 -0.408 0.000 1.078 131 L HN 0.141 nan 8.230 nan 0.000 0.480 132 V N -0.917 119.010 119.914 0.021 0.000 2.500 132 V HA 0.046 4.166 4.120 -0.000 0.000 0.243 132 V C 0.331 176.542 176.094 0.195 0.000 1.039 132 V CA 0.359 62.708 62.300 0.082 0.000 1.053 132 V CB -0.235 31.536 31.823 -0.087 0.000 0.695 132 V HN 0.449 nan 8.190 nan 0.000 0.463 133 E N -1.062 119.302 120.200 0.274 0.000 8.389 133 E HA -0.149 4.201 4.350 -0.000 0.000 0.467 133 E C -2.648 174.118 176.600 0.277 0.000 0.984 133 E CA -0.265 56.287 56.400 0.253 0.000 1.717 133 E CB -0.837 28.941 29.700 0.129 0.000 0.997 133 E HN 0.266 nan 8.360 nan 0.000 0.263 134 P HA -0.152 nan 4.420 nan 0.000 0.259 134 P C -0.307 176.947 177.300 -0.078 0.000 1.163 134 P CA 1.062 64.013 63.100 -0.250 0.000 0.760 134 P CB 0.163 31.772 31.700 -0.152 0.000 0.762 135 H N -0.886 118.164 119.070 -0.033 0.000 3.415 135 H HA -0.153 4.403 4.556 -0.000 0.000 0.213 135 H C 0.998 176.399 175.328 0.120 0.000 1.091 135 H CA 1.216 57.295 56.048 0.051 0.000 1.182 135 H CB -1.938 27.834 29.762 0.017 0.000 1.160 135 H HN 0.622 nan 8.280 nan 0.000 0.319 136 G N 0.929 109.900 108.800 0.286 0.000 2.544 136 G HA2 0.341 4.301 3.960 -0.000 0.000 0.242 136 G HA3 0.341 4.301 3.960 -0.000 0.000 0.242 136 G C 0.340 175.352 174.900 0.187 0.000 1.247 136 G CA -0.550 44.678 45.100 0.212 0.000 0.840 136 G HN 0.185 nan 8.290 nan 0.000 0.578 137 R N 0.203 120.739 120.500 0.059 0.000 2.390 137 R HA 0.445 4.785 4.340 -0.000 0.000 0.291 137 R C -0.294 176.091 176.300 0.143 0.000 1.070 137 R CA -0.073 56.050 56.100 0.040 0.000 1.014 137 R CB 1.050 31.106 30.300 -0.407 0.000 1.007 137 R HN 0.375 nan 8.270 nan 0.000 0.466 138 I N 3.070 123.792 120.570 0.253 0.000 2.582 138 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 138 I C -0.409 175.842 176.117 0.223 0.000 1.066 138 I CA -0.677 60.703 61.300 0.135 0.000 1.053 138 I CB 2.227 40.147 38.000 -0.133 0.000 1.241 138 I HN 0.384 nan 8.210 nan 0.000 0.421 139 M N 4.260 123.970 119.600 0.183 0.000 2.253 139 M HA 0.615 5.095 4.480 -0.000 0.000 0.314 139 M C -0.212 176.186 176.300 0.163 0.000 1.019 139 M CA -0.347 55.056 55.300 0.172 0.000 0.932 139 M CB 2.252 35.001 32.600 0.248 0.000 1.606 139 M HN 0.751 nan 8.290 nan 0.000 0.430 140 G N 1.954 110.747 108.800 -0.012 0.000 2.680 140 G HA2 0.650 4.610 3.960 -0.000 0.000 0.290 140 G HA3 0.650 4.610 3.960 -0.000 0.000 0.290 140 G C -1.927 172.501 174.900 -0.787 0.000 1.355 140 G CA -0.818 44.147 45.100 -0.225 0.000 0.903 140 G HN 0.592 nan 8.290 nan 0.000 0.474 141 L N 0.814 121.476 121.223 -0.935 0.000 2.490 141 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 141 L C 0.308 176.932 176.870 -0.410 0.000 1.201 141 L CA -0.465 53.816 54.840 -0.932 0.000 0.869 141 L CB 0.531 42.279 42.059 -0.518 0.000 1.123 141 L HN 0.460 nan 8.230 nan 0.000 0.484 142 D N 2.723 122.921 120.400 -0.336 0.000 2.472 142 D HA -0.089 4.551 4.640 -0.000 0.000 0.237 142 D C 1.028 177.239 176.300 -0.148 0.000 1.141 142 D CA 0.078 53.980 54.000 -0.164 0.000 0.875 142 D CB 0.827 41.560 40.800 -0.110 0.000 1.192 142 D HN 0.641 nan 8.370 nan 0.000 0.450 143 L N 6.553 127.689 121.223 -0.145 0.000 1.990 143 L HA -0.091 4.249 4.340 -0.000 0.000 0.213 143 L C -0.844 175.895 176.870 -0.219 0.000 1.072 143 L CA 1.804 56.487 54.840 -0.261 0.000 0.755 143 L CB -1.172 40.538 42.059 -0.581 0.000 0.889 143 L HN 0.532 nan 8.230 nan 0.000 0.432 144 P HA -0.088 nan 4.420 nan 0.000 0.234 144 P C -0.009 177.236 177.300 -0.091 0.000 1.167 144 P CA 1.109 64.137 63.100 -0.120 0.000 0.763 144 P CB -0.032 31.624 31.700 -0.073 0.000 0.835 145 D N -0.749 119.592 120.400 -0.099 0.000 2.368 145 D HA 0.254 4.894 4.640 -0.000 0.000 0.218 145 D C 1.472 177.721 176.300 -0.085 0.000 1.112 145 D CA 0.446 54.395 54.000 -0.084 0.000 0.834 145 D CB -0.119 40.621 40.800 -0.100 0.000 0.953 145 D HN 0.170 nan 8.370 nan 0.000 0.505 146 G N -0.250 108.495 108.800 -0.091 0.000 2.148 146 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.203 146 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.203 146 G C 0.737 175.592 174.900 -0.075 0.000 0.993 146 G CA -0.251 44.806 45.100 -0.071 0.000 0.661 146 G HN 0.551 nan 8.290 nan 0.000 0.518 147 G N -1.166 107.574 108.800 -0.100 0.000 2.588 147 G HA2 0.552 4.512 3.960 -0.000 0.000 0.281 147 G HA3 0.552 4.512 3.960 -0.000 0.000 0.281 147 G C -0.419 174.426 174.900 -0.091 0.000 1.236 147 G CA -0.138 44.937 45.100 -0.041 0.000 0.969 147 G HN 0.465 nan 8.290 nan 0.000 0.504 148 H N -0.256 118.610 119.070 -0.340 0.000 2.573 148 H HA 0.275 4.831 4.556 -0.000 0.000 0.351 148 H C 1.240 176.385 175.328 -0.305 0.000 1.163 148 H CA -0.721 55.074 56.048 -0.421 0.000 1.205 148 H CB 1.922 31.299 29.762 -0.642 0.000 1.605 148 H HN 0.269 nan 8.280 nan 0.000 0.525 149 L N 1.840 122.690 121.223 -0.623 0.000 2.081 149 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 149 L C 2.524 179.439 176.870 0.075 0.000 1.080 149 L CA 2.098 56.795 54.840 -0.239 0.000 0.754 149 L CB -0.476 41.424 42.059 -0.264 0.000 0.893 149 L HN 0.728 nan 8.230 nan 0.000 0.433 150 T N -4.951 109.762 114.554 0.266 0.000 3.098 150 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 150 T C 1.299 176.308 174.700 0.514 0.000 1.145 150 T CA 0.971 63.338 62.100 0.445 0.000 1.092 150 T CB -0.628 68.535 68.868 0.492 0.000 0.908 150 T HN 0.522 nan 8.240 nan 0.000 0.526 151 H N 1.068 120.297 119.070 0.266 0.000 2.539 151 H HA 0.458 5.014 4.556 -0.000 0.000 0.267 151 H C 1.161 176.526 175.328 0.062 0.000 0.982 151 H CA -0.361 55.771 56.048 0.141 0.000 1.146 151 H CB 0.185 29.997 29.762 0.084 0.000 1.382 151 H HN 0.631 nan 8.280 nan 0.000 0.577 152 G N 0.948 109.883 108.800 0.225 0.000 2.885 152 G HA2 0.018 3.978 3.960 -0.000 0.000 0.685 152 G HA3 0.018 3.978 3.960 -0.000 0.000 0.685 152 G C -1.658 173.395 174.900 0.255 0.000 1.216 152 G CA -0.910 44.302 45.100 0.187 0.000 0.790 152 G HN 0.157 nan 8.290 nan 0.000 0.631 153 F N 3.835 123.804 119.950 0.032 0.000 2.670 153 F HA 0.772 5.299 4.527 -0.000 0.000 0.332 153 F C -0.445 175.358 175.800 0.005 0.000 1.179 153 F CA -0.695 57.305 58.000 0.000 0.000 1.076 153 F CB 1.518 40.508 39.000 -0.018 0.000 1.322 153 F HN 1.038 nan 8.300 nan 0.000 0.515 154 M N 3.875 123.146 119.600 -0.549 0.000 2.603 154 M HA 0.787 5.267 4.480 -0.000 0.000 0.275 154 M C -1.387 174.607 176.300 -0.510 0.000 1.226 154 M CA -0.581 54.420 55.300 -0.498 0.000 0.870 154 M CB 2.333 34.817 32.600 -0.193 0.000 1.716 154 M HN 0.549 nan 8.290 nan 0.000 0.482 155 T N -3.643 110.688 114.554 -0.372 0.000 2.807 155 T HA 0.448 4.798 4.350 -0.000 0.000 0.277 155 T C 0.158 174.776 174.700 -0.137 0.000 1.006 155 T CA -0.443 61.512 62.100 -0.242 0.000 1.006 155 T CB 1.236 69.972 68.868 -0.221 0.000 1.274 155 T HN 0.661 nan 8.240 nan 0.000 0.569 156 D N 0.052 120.397 120.400 -0.092 0.000 2.218 156 D HA -0.025 4.615 4.640 -0.000 0.000 0.204 156 D C 1.716 177.981 176.300 -0.059 0.000 0.976 156 D CA 1.188 55.152 54.000 -0.060 0.000 0.853 156 D CB 0.124 40.899 40.800 -0.042 0.000 0.939 156 D HN 0.548 nan 8.370 nan 0.000 0.481 157 K N 0.046 120.403 120.400 -0.071 0.000 2.099 157 K HA 0.037 4.357 4.320 -0.000 0.000 0.203 157 K C 0.854 177.412 176.600 -0.071 0.000 1.047 157 K CA 0.636 56.886 56.287 -0.061 0.000 0.963 157 K CB 0.398 32.866 32.500 -0.053 0.000 0.759 157 K HN 0.125 nan 8.250 nan 0.000 0.451 158 K N 0.206 120.545 120.400 -0.102 0.000 2.556 158 K HA 0.369 4.689 4.320 -0.000 0.000 0.274 158 K C -1.632 174.881 176.600 -0.145 0.000 0.966 158 K CA -1.062 55.163 56.287 -0.103 0.000 0.865 158 K CB 1.540 33.990 32.500 -0.083 0.000 1.444 158 K HN -0.349 nan 8.250 nan 0.000 0.433 159 K N 1.820 122.150 120.400 -0.116 0.000 2.316 159 K HA 0.285 4.605 4.320 -0.000 0.000 0.289 159 K C 0.263 176.802 176.600 -0.103 0.000 1.070 159 K CA -0.016 56.203 56.287 -0.114 0.000 0.928 159 K CB 0.549 33.000 32.500 -0.082 0.000 1.039 159 K HN 0.534 nan 8.250 nan 0.000 0.480 160 I N -0.109 120.389 120.570 -0.120 0.000 2.512 160 I HA -0.077 4.093 4.170 -0.000 0.000 0.247 160 I C 0.977 177.137 176.117 0.071 0.000 1.094 160 I CA 0.239 61.522 61.300 -0.028 0.000 1.427 160 I CB 0.122 38.109 38.000 -0.022 0.000 1.149 160 I HN 0.465 nan 8.210 nan 0.000 0.438 161 S N 0.835 116.617 115.700 0.137 0.000 2.580 161 S HA 0.336 4.806 4.470 -0.000 0.000 0.274 161 S C 1.204 175.919 174.600 0.191 0.000 1.329 161 S CA 0.037 58.349 58.200 0.186 0.000 1.036 161 S CB 1.607 64.953 63.200 0.244 0.000 0.919 161 S HN 0.284 nan 8.310 nan 0.000 0.515 162 A N 3.872 126.839 122.820 0.246 0.000 2.024 162 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 162 A C 2.154 180.113 177.584 0.624 0.000 1.164 162 A CA 2.254 54.512 52.037 0.369 0.000 0.643 162 A CB -1.495 17.694 19.000 0.316 0.000 0.806 162 A HN 0.891 nan 8.150 nan 0.000 0.451 163 T N -0.167 114.743 114.554 0.593 0.000 2.746 163 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 163 T C 2.189 177.158 174.700 0.448 0.000 1.039 163 T CA 1.763 64.239 62.100 0.626 0.000 1.142 163 T CB -0.241 68.849 68.868 0.371 0.000 0.866 163 T HN 0.496 nan 8.240 nan 0.000 0.444 164 S N 0.708 116.566 115.700 0.264 0.000 2.428 164 S HA 0.142 4.612 4.470 -0.000 0.000 0.230 164 S C 2.004 176.642 174.600 0.063 0.000 1.014 164 S CA 0.454 58.745 58.200 0.151 0.000 0.957 164 S CB -0.271 62.974 63.200 0.075 0.000 0.784 164 S HN 0.415 nan 8.310 nan 0.000 0.499 165 I N 0.052 120.614 120.570 -0.014 0.000 2.252 165 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 165 I C 1.410 177.231 176.117 -0.494 0.000 1.102 165 I CA 1.422 62.540 61.300 -0.303 0.000 1.385 165 I CB -0.195 37.494 38.000 -0.518 0.000 1.064 165 I HN 0.250 nan 8.210 nan 0.000 0.414 166 F N -0.740 119.164 119.950 -0.078 0.000 2.714 166 F HA 0.233 4.760 4.527 -0.000 0.000 0.294 166 F C 0.564 175.813 175.800 -0.919 0.000 1.120 166 F CA 0.014 57.714 58.000 -0.500 0.000 1.398 166 F CB -0.016 38.676 39.000 -0.513 0.000 1.120 166 F HN -0.185 nan 8.300 nan 0.000 0.589 167 F N -0.733 119.269 119.950 0.088 0.000 2.679 167 F HA 0.489 5.016 4.527 -0.000 0.000 0.341 167 F C 0.026 175.878 175.800 0.086 0.000 1.095 167 F CA -1.349 56.675 58.000 0.039 0.000 1.004 167 F CB 0.663 39.667 39.000 0.007 0.000 1.388 167 F HN -0.439 nan 8.300 nan 0.000 0.505 168 E N 1.347 121.741 120.200 0.323 0.000 2.101 168 E HA 0.294 4.644 4.350 -0.000 0.000 0.260 168 E C -1.076 175.750 176.600 0.377 0.000 0.897 168 E CA -0.337 56.240 56.400 0.295 0.000 0.744 168 E CB 1.517 31.369 29.700 0.254 0.000 1.140 168 E HN 0.574 nan 8.360 nan 0.000 0.419 169 S N 2.622 118.491 115.700 0.282 0.000 2.549 169 S HA 0.759 5.229 4.470 -0.000 0.000 0.297 169 S C 0.005 174.634 174.600 0.047 0.000 1.115 169 S CA -0.862 57.463 58.200 0.209 0.000 1.059 169 S CB 1.927 65.195 63.200 0.114 0.000 1.046 169 S HN 0.490 nan 8.310 nan 0.000 0.506 170 M N 3.170 122.660 119.600 -0.185 0.000 2.271 170 M HA 0.487 4.967 4.480 -0.000 0.000 0.285 170 M C -2.980 173.166 176.300 -0.257 0.000 1.059 170 M CA -1.892 53.154 55.300 -0.423 0.000 0.940 170 M CB 2.599 34.509 32.600 -1.150 0.000 1.636 170 M HN 0.562 nan 8.290 nan 0.000 0.460 171 P HA 0.321 nan 4.420 nan 0.000 0.282 171 P C -1.922 175.330 177.300 -0.080 0.000 1.259 171 P CA -0.143 62.871 63.100 -0.143 0.000 0.826 171 P CB 0.747 32.376 31.700 -0.119 0.000 1.064 172 Y N -1.051 119.192 120.300 -0.095 0.000 2.457 172 Y HA 0.697 5.247 4.550 -0.000 0.000 0.333 172 Y C 0.098 175.932 175.900 -0.109 0.000 1.119 172 Y CA -1.124 56.913 58.100 -0.104 0.000 1.143 172 Y CB 1.293 39.691 38.460 -0.103 0.000 1.230 172 Y HN 0.190 nan 8.280 nan 0.000 0.469 173 K N 1.213 121.668 120.400 0.092 0.000 2.306 173 K HA 0.694 5.014 4.320 -0.000 0.000 0.236 173 K C -1.395 175.200 176.600 -0.008 0.000 1.013 173 K CA -1.301 54.983 56.287 -0.004 0.000 0.857 173 K CB 2.590 35.079 32.500 -0.018 0.000 1.214 173 K HN 0.520 nan 8.250 nan 0.000 0.449 174 V N 1.923 121.814 119.914 -0.037 0.000 2.567 174 V HA 0.074 4.194 4.120 -0.000 0.000 0.289 174 V C -0.107 175.992 176.094 0.007 0.000 1.049 174 V CA -0.726 61.562 62.300 -0.021 0.000 0.969 174 V CB 1.392 33.211 31.823 -0.006 0.000 0.995 174 V HN 0.647 nan 8.190 nan 0.000 0.471 175 N N 7.346 126.067 118.700 0.034 0.000 2.438 175 N HA 0.121 4.861 4.740 -0.000 0.000 0.267 175 N C -1.248 174.287 175.510 0.042 0.000 1.222 175 N CA -1.615 51.459 53.050 0.042 0.000 0.930 175 N CB 1.425 39.953 38.487 0.068 0.000 1.083 175 N HN 0.351 nan 8.380 nan 0.000 0.476 176 P HA -0.123 nan 4.420 nan 0.000 0.221 176 P C 0.090 177.404 177.300 0.023 0.000 1.145 176 P CA 1.111 64.222 63.100 0.017 0.000 0.795 176 P CB 0.601 32.306 31.700 0.008 0.000 0.775 177 D N -0.208 120.213 120.400 0.034 0.000 2.146 177 D HA -0.085 4.555 4.640 -0.000 0.000 0.209 177 D C 2.176 178.511 176.300 0.059 0.000 0.973 177 D CA 2.238 56.260 54.000 0.037 0.000 0.860 177 D CB -1.112 39.708 40.800 0.034 0.000 1.015 177 D HN 0.269 nan 8.370 nan 0.000 0.465 178 T N -2.462 112.149 114.554 0.095 0.000 2.942 178 T HA 0.182 4.532 4.350 -0.000 0.000 0.265 178 T C 1.816 176.623 174.700 0.178 0.000 1.062 178 T CA 1.615 63.820 62.100 0.175 0.000 1.139 178 T CB 0.091 69.106 68.868 0.246 0.000 0.883 178 T HN 0.294 nan 8.240 nan 0.000 0.468 179 G N 0.026 108.888 108.800 0.103 0.000 2.195 179 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 179 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 179 G C -0.076 174.818 174.900 -0.011 0.000 0.984 179 G CA 0.094 45.192 45.100 -0.004 0.000 0.633 179 G HN 0.632 nan 8.290 nan 0.000 0.525 180 Y N 0.400 120.755 120.300 0.092 0.000 2.335 180 Y HA 0.634 5.184 4.550 -0.000 0.000 0.323 180 Y C 1.512 177.462 175.900 0.084 0.000 1.224 180 Y CA -0.913 57.288 58.100 0.168 0.000 1.241 180 Y CB 0.687 39.219 38.460 0.121 0.000 1.235 180 Y HN 0.132 nan 8.280 nan 0.000 0.492 181 I N 2.732 123.397 120.570 0.159 0.000 2.683 181 I HA -0.127 4.043 4.170 -0.000 0.000 0.286 181 I C 0.410 176.318 176.117 -0.349 0.000 1.175 181 I CA 0.247 61.395 61.300 -0.253 0.000 1.429 181 I CB 0.175 37.782 38.000 -0.656 0.000 1.371 181 I HN 0.552 nan 8.210 nan 0.000 0.569 182 N N 6.738 125.312 118.700 -0.211 0.000 2.508 182 N HA 0.026 4.766 4.740 -0.000 0.000 0.253 182 N C 0.393 175.793 175.510 -0.184 0.000 1.145 182 N CA 0.176 53.153 53.050 -0.121 0.000 0.973 182 N CB 0.174 38.639 38.487 -0.036 0.000 1.305 182 N HN 0.346 nan 8.380 nan 0.000 0.506 183 Y N 0.824 121.099 120.300 -0.043 0.000 2.352 183 Y HA -0.078 4.472 4.550 -0.000 0.000 0.292 183 Y C 1.679 177.528 175.900 -0.085 0.000 1.136 183 Y CA 0.605 58.642 58.100 -0.105 0.000 1.227 183 Y CB 0.213 38.612 38.460 -0.101 0.000 0.991 183 Y HN 0.409 nan 8.280 nan 0.000 0.545 184 D N -0.177 120.274 120.400 0.084 0.000 2.097 184 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 184 D C 2.029 178.335 176.300 0.010 0.000 0.984 184 D CA 1.190 55.213 54.000 0.038 0.000 0.826 184 D CB -0.384 40.434 40.800 0.030 0.000 0.973 184 D HN 0.385 nan 8.370 nan 0.000 0.460 185 Q N -0.139 119.661 119.800 -0.001 0.000 2.167 185 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 185 Q C 2.126 178.117 176.000 -0.016 0.000 0.970 185 Q CA 0.494 56.292 55.803 -0.007 0.000 0.855 185 Q CB -0.013 28.722 28.738 -0.005 0.000 0.911 185 Q HN 0.166 nan 8.270 nan 0.000 0.438 186 L N 1.102 122.299 121.223 -0.043 0.000 2.027 186 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 186 L C 2.132 178.973 176.870 -0.047 0.000 1.074 186 L CA 2.229 57.022 54.840 -0.080 0.000 0.745 186 L CB -0.696 41.208 42.059 -0.259 0.000 0.898 186 L HN 0.248 nan 8.230 nan 0.000 0.433 187 E N -0.598 119.584 120.200 -0.030 0.000 2.118 187 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 187 E C 1.940 178.533 176.600 -0.011 0.000 0.992 187 E CA 1.686 58.078 56.400 -0.015 0.000 0.804 187 E CB -0.068 29.630 29.700 -0.003 0.000 0.741 187 E HN 0.707 nan 8.360 nan 0.000 0.458 188 E N -0.081 120.113 120.200 -0.009 0.000 2.046 188 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 188 E C 1.998 178.591 176.600 -0.013 0.000 0.982 188 E CA 0.961 57.356 56.400 -0.009 0.000 0.800 188 E CB -0.051 29.646 29.700 -0.005 0.000 0.756 188 E HN 0.229 nan 8.360 nan 0.000 0.449 189 N N 0.935 119.629 118.700 -0.009 0.000 2.244 189 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 189 N C 1.599 177.119 175.510 0.017 0.000 1.016 189 N CA 1.109 54.157 53.050 -0.004 0.000 0.866 189 N CB -0.310 38.168 38.487 -0.016 0.000 0.980 189 N HN 0.131 nan 8.380 nan 0.000 0.430 190 A N 1.150 123.980 122.820 0.017 0.000 1.972 190 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 190 A C 2.149 179.693 177.584 -0.065 0.000 1.169 190 A CA 1.111 53.172 52.037 0.038 0.000 0.635 190 A CB -0.340 18.680 19.000 0.033 0.000 0.810 190 A HN 0.237 nan 8.150 nan 0.000 0.446 191 R N -0.785 119.659 120.500 -0.092 0.000 2.189 191 R HA 0.112 4.452 4.340 -0.000 0.000 0.218 191 R C 1.615 177.702 176.300 -0.356 0.000 1.074 191 R CA 0.941 56.941 56.100 -0.168 0.000 0.991 191 R CB -0.241 30.023 30.300 -0.062 0.000 0.883 191 R HN 0.508 nan 8.270 nan 0.000 0.457 192 L N -1.606 119.479 121.223 -0.230 0.000 2.253 192 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 192 L C 1.835 178.609 176.870 -0.159 0.000 1.078 192 L CA 0.410 55.150 54.840 -0.167 0.000 0.805 192 L CB -0.170 41.881 42.059 -0.013 0.000 0.963 192 L HN 0.070 nan 8.230 nan 0.000 0.459 193 F N -0.030 119.772 119.950 -0.248 0.000 2.270 193 F HA 0.031 4.558 4.527 0.000 0.000 0.295 193 F C 0.776 176.573 175.800 -0.005 0.000 1.087 193 F CA 0.448 58.398 58.000 -0.083 0.000 1.365 193 F CB 0.194 39.181 39.000 -0.022 0.000 1.056 193 F HN 0.142 nan 8.300 nan 0.000 0.506 194 H N -0.288 118.807 119.070 0.040 0.000 2.929 194 H HA -0.091 4.465 4.556 0.000 0.000 0.341 194 H C -2.307 172.951 175.328 -0.115 0.000 1.258 194 H CA 0.314 56.328 56.048 -0.056 0.000 1.185 194 H CB -2.367 27.333 29.762 -0.103 0.000 1.553 194 H HN 0.222 nan 8.280 nan 0.000 0.438 195 P HA 0.046 nan 4.420 nan 0.000 0.271 195 P C 0.909 178.258 177.300 0.082 0.000 1.218 195 P CA -0.284 62.893 63.100 0.128 0.000 0.780 195 P CB 1.216 33.074 31.700 0.263 0.000 0.901 196 K N 1.219 121.663 120.400 0.072 0.000 2.356 196 K HA 0.210 4.530 4.320 -0.000 0.000 0.195 196 K C 0.636 177.323 176.600 0.145 0.000 1.037 196 K CA 0.256 56.591 56.287 0.080 0.000 1.014 196 K CB 0.054 32.607 32.500 0.088 0.000 0.815 196 K HN 0.473 nan 8.250 nan 0.000 0.507 197 L N 0.382 121.694 121.223 0.148 0.000 2.565 197 L HA 0.440 4.780 4.340 -0.000 0.000 0.261 197 L C -1.706 175.256 176.870 0.154 0.000 0.932 197 L CA -0.525 54.424 54.840 0.182 0.000 0.878 197 L CB 1.678 43.837 42.059 0.167 0.000 1.333 197 L HN -0.155 nan 8.230 nan 0.000 0.409 198 I N 5.275 125.949 120.570 0.172 0.000 2.378 198 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 198 I C -0.464 175.747 176.117 0.156 0.000 0.992 198 I CA -0.566 60.834 61.300 0.168 0.000 1.154 198 I CB 1.909 39.996 38.000 0.144 0.000 1.315 198 I HN 0.474 nan 8.210 nan 0.000 0.448 199 I N 5.578 126.226 120.570 0.131 0.000 2.331 199 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 199 I C 0.386 176.549 176.117 0.077 0.000 0.998 199 I CA -0.244 61.071 61.300 0.026 0.000 1.267 199 I CB 1.475 39.342 38.000 -0.223 0.000 1.386 199 I HN 0.611 nan 8.210 nan 0.000 0.476 200 A N 5.571 128.449 122.820 0.098 0.000 2.511 200 A HA 0.811 5.131 4.320 -0.000 0.000 0.340 200 A C 0.077 177.756 177.584 0.158 0.000 1.396 200 A CA -0.333 51.811 52.037 0.179 0.000 0.887 200 A CB 0.164 19.348 19.000 0.306 0.000 1.145 200 A HN 0.895 nan 8.150 nan 0.000 0.497 201 G N 0.470 109.321 108.800 0.086 0.000 2.556 201 G HA2 0.652 4.612 3.960 -0.000 0.000 0.294 201 G HA3 0.652 4.612 3.960 -0.000 0.000 0.294 201 G C -0.764 174.263 174.900 0.213 0.000 1.516 201 G CA 0.202 45.394 45.100 0.154 0.000 0.824 201 G HN 1.258 nan 8.290 nan 0.000 0.535 202 T N -2.339 112.345 114.554 0.216 0.000 2.883 202 T HA 0.731 5.081 4.350 -0.000 0.000 0.296 202 T C 0.536 175.306 174.700 0.117 0.000 1.117 202 T CA 0.219 62.410 62.100 0.151 0.000 1.006 202 T CB 1.881 70.791 68.868 0.069 0.000 1.191 202 T HN 0.936 nan 8.240 nan 0.000 0.508 203 S N -1.021 114.694 115.700 0.026 0.000 2.564 203 S HA 0.227 4.697 4.470 -0.000 0.000 0.231 203 S C 0.460 174.866 174.600 -0.322 0.000 1.067 203 S CA -0.042 58.120 58.200 -0.063 0.000 0.908 203 S CB -0.029 63.236 63.200 0.109 0.000 0.809 203 S HN 0.932 nan 8.310 nan 0.000 0.491 204 C N 2.101 121.311 119.300 -0.149 0.000 3.418 204 C HA 0.668 5.128 4.460 -0.000 0.000 0.238 204 C C -1.560 173.429 174.990 -0.002 0.000 1.205 204 C CA -0.579 58.358 59.018 -0.135 0.000 1.376 204 C CB -0.987 26.694 27.740 -0.099 0.000 1.826 204 C HN 0.529 nan 8.230 nan 0.000 0.513 205 Y N 2.952 123.140 120.300 -0.186 0.000 2.401 205 Y HA 0.438 4.988 4.550 -0.000 0.000 0.330 205 Y C 0.764 176.570 175.900 -0.157 0.000 1.071 205 Y CA -0.047 57.963 58.100 -0.150 0.000 1.049 205 Y CB 2.022 40.424 38.460 -0.097 0.000 1.239 205 Y HN 0.486 nan 8.280 nan 0.000 0.437 206 S N 3.767 119.169 115.700 -0.496 0.000 2.558 206 S HA 0.320 4.790 4.470 -0.000 0.000 0.217 206 S C 0.350 174.692 174.600 -0.429 0.000 0.975 206 S CA -0.056 57.895 58.200 -0.416 0.000 0.912 206 S CB 0.039 63.019 63.200 -0.366 0.000 0.776 206 S HN 0.445 nan 8.310 nan 0.000 0.526 207 R N 1.839 121.906 120.500 -0.722 0.000 2.787 207 R HA 0.482 4.822 4.340 -0.000 0.000 0.271 207 R C -0.739 175.542 176.300 -0.033 0.000 0.993 207 R CA -0.854 55.011 56.100 -0.390 0.000 0.993 207 R CB 0.188 30.214 30.300 -0.456 0.000 1.155 207 R HN 0.180 nan 8.270 nan 0.000 0.486 208 N N 1.112 119.847 118.700 0.059 0.000 2.441 208 N HA 0.109 4.849 4.740 -0.000 0.000 0.251 208 N C -0.115 175.463 175.510 0.114 0.000 1.242 208 N CA 0.107 53.214 53.050 0.095 0.000 0.898 208 N CB 0.484 39.014 38.487 0.072 0.000 1.100 208 N HN 0.286 nan 8.380 nan 0.000 0.443 209 L N 1.148 122.310 121.223 -0.101 0.000 2.350 209 L HA 0.239 4.579 4.340 -0.000 0.000 0.275 209 L C 0.896 177.489 176.870 -0.461 0.000 1.099 209 L CA -0.361 54.321 54.840 -0.263 0.000 0.808 209 L CB 0.681 42.377 42.059 -0.605 0.000 1.149 209 L HN 0.334 nan 8.230 nan 0.000 0.442 210 E N 2.328 122.352 120.200 -0.292 0.000 1.852 210 E HA 0.005 4.355 4.350 -0.000 0.000 0.276 210 E C -0.102 176.246 176.600 -0.420 0.000 1.163 210 E CA -0.065 56.065 56.400 -0.451 0.000 1.117 210 E CB 0.162 29.386 29.700 -0.793 0.000 1.124 210 E HN 0.440 nan 8.360 nan 0.000 0.458 211 Y N 0.963 121.143 120.300 -0.200 0.000 2.128 211 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 211 Y C 2.416 178.081 175.900 -0.390 0.000 1.154 211 Y CA 1.348 59.322 58.100 -0.210 0.000 1.149 211 Y CB -0.569 37.840 38.460 -0.086 0.000 0.976 211 Y HN 0.499 nan 8.280 nan 0.000 0.505 212 A N 0.065 122.529 122.820 -0.592 0.000 1.908 212 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 212 A C 2.271 179.718 177.584 -0.228 0.000 1.181 212 A CA 2.140 53.856 52.037 -0.535 0.000 0.627 212 A CB -0.681 18.025 19.000 -0.489 0.000 0.818 212 A HN 0.392 nan 8.150 nan 0.000 0.445 213 R N -0.149 120.188 120.500 -0.272 0.000 2.075 213 R HA 0.045 4.385 4.340 -0.000 0.000 0.232 213 R C 1.906 178.106 176.300 -0.166 0.000 1.126 213 R CA 1.466 57.416 56.100 -0.249 0.000 0.963 213 R CB -0.670 29.369 30.300 -0.436 0.000 0.858 213 R HN 0.489 nan 8.270 nan 0.000 0.435 214 L N 0.156 121.288 121.223 -0.151 0.000 2.046 214 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 214 L C 2.602 179.481 176.870 0.016 0.000 1.077 214 L CA 1.499 56.318 54.840 -0.036 0.000 0.747 214 L CB -0.430 41.646 42.059 0.029 0.000 0.896 214 L HN 0.181 nan 8.230 nan 0.000 0.432 215 R N 1.001 121.516 120.500 0.025 0.000 2.096 215 R HA -0.196 4.144 4.340 -0.000 0.000 0.235 215 R C 2.167 178.496 176.300 0.048 0.000 1.127 215 R CA 1.711 57.845 56.100 0.058 0.000 0.968 215 R CB -0.408 29.939 30.300 0.077 0.000 0.861 215 R HN 0.232 nan 8.270 nan 0.000 0.440 216 K N 0.095 120.501 120.400 0.011 0.000 2.026 216 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 216 K C 2.018 178.626 176.600 0.014 0.000 1.048 216 K CA 1.856 58.148 56.287 0.009 0.000 0.929 216 K CB -0.210 32.277 32.500 -0.021 0.000 0.713 216 K HN 0.264 nan 8.250 nan 0.000 0.439 217 I N 1.158 121.729 120.570 0.003 0.000 2.286 217 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 217 I C 2.544 178.680 176.117 0.033 0.000 1.115 217 I CA 1.105 62.410 61.300 0.008 0.000 1.392 217 I CB -0.408 37.586 38.000 -0.010 0.000 1.065 217 I HN 0.284 nan 8.210 nan 0.000 0.418 218 A N 0.713 123.567 122.820 0.057 0.000 1.858 218 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 218 A C 1.985 179.615 177.584 0.077 0.000 1.190 218 A CA 1.976 54.067 52.037 0.090 0.000 0.617 218 A CB -0.601 18.491 19.000 0.154 0.000 0.827 218 A HN 0.331 nan 8.150 nan 0.000 0.443 219 D N -0.632 119.819 120.400 0.084 0.000 2.182 219 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 219 D C 1.830 178.150 176.300 0.033 0.000 0.986 219 D CA 1.345 55.383 54.000 0.064 0.000 0.847 219 D CB -0.346 40.495 40.800 0.069 0.000 0.942 219 D HN 0.713 nan 8.370 nan 0.000 0.467 220 E N 0.378 120.597 120.200 0.032 0.000 2.153 220 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 220 E C 0.921 177.539 176.600 0.030 0.000 0.988 220 E CA 0.697 57.111 56.400 0.025 0.000 0.811 220 E CB 0.183 29.895 29.700 0.020 0.000 0.746 220 E HN 0.193 nan 8.360 nan 0.000 0.466 221 N N -0.510 118.212 118.700 0.036 0.000 2.235 221 N HA 0.048 4.788 4.740 -0.000 0.000 0.209 221 N C 0.410 175.934 175.510 0.024 0.000 1.122 221 N CA 0.696 53.777 53.050 0.051 0.000 0.845 221 N CB 1.300 39.826 38.487 0.065 0.000 1.004 221 N HN 0.212 nan 8.380 nan 0.000 0.499 222 G N 1.132 109.927 108.800 -0.009 0.000 2.305 222 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.287 222 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.287 222 G C 0.123 174.946 174.900 -0.129 0.000 1.036 222 G CA 0.606 45.663 45.100 -0.071 0.000 0.887 222 G HN 0.556 nan 8.290 nan 0.000 0.505 223 A N -0.877 121.897 122.820 -0.076 0.000 2.311 223 A HA 0.844 5.164 4.320 -0.000 0.000 0.334 223 A C -0.244 177.288 177.584 -0.088 0.000 1.139 223 A CA -0.831 51.165 52.037 -0.068 0.000 0.830 223 A CB 0.971 20.003 19.000 0.054 0.000 1.234 223 A HN 0.485 nan 8.150 nan 0.000 0.483 224 Y N -0.219 120.092 120.300 0.018 0.000 2.304 224 Y HA 0.425 4.975 4.550 -0.000 0.000 0.327 224 Y C 0.164 176.194 175.900 0.217 0.000 1.209 224 Y CA -0.017 58.096 58.100 0.021 0.000 1.299 224 Y CB 1.247 39.694 38.460 -0.021 0.000 1.249 224 Y HN 0.505 nan 8.280 nan 0.000 0.519 225 L N 5.529 127.137 121.223 0.643 0.000 2.277 225 L HA 0.457 4.797 4.340 -0.000 0.000 0.284 225 L C -0.788 176.248 176.870 0.277 0.000 1.028 225 L CA -0.489 54.564 54.840 0.355 0.000 0.835 225 L CB 0.493 42.693 42.059 0.235 0.000 1.215 225 L HN 0.685 nan 8.230 nan 0.000 0.425 226 M N 4.999 124.718 119.600 0.198 0.000 2.149 226 M HA 0.717 5.197 4.480 -0.000 0.000 0.342 226 M C -0.769 175.576 176.300 0.075 0.000 1.068 226 M CA -0.476 54.898 55.300 0.124 0.000 0.991 226 M CB 1.399 34.069 32.600 0.118 0.000 1.596 226 M HN 0.753 nan 8.290 nan 0.000 0.439 227 A N 3.366 126.190 122.820 0.006 0.000 2.306 227 A HA 0.449 4.769 4.320 -0.000 0.000 0.314 227 A C -0.882 176.687 177.584 -0.027 0.000 1.164 227 A CA -0.501 51.530 52.037 -0.010 0.000 0.822 227 A CB 0.642 19.544 19.000 -0.163 0.000 1.130 227 A HN 0.781 nan 8.150 nan 0.000 0.496 228 D N 3.002 123.422 120.400 0.032 0.000 2.460 228 D HA 0.233 4.873 4.640 -0.000 0.000 0.268 228 D C 0.776 177.123 176.300 0.078 0.000 1.153 228 D CA -0.368 53.671 54.000 0.066 0.000 0.929 228 D CB 0.399 41.313 40.800 0.190 0.000 1.015 228 D HN 0.524 nan 8.370 nan 0.000 0.502 229 M N 0.799 120.402 119.600 0.006 0.000 2.639 229 M HA 0.295 4.775 4.480 -0.000 0.000 0.220 229 M C 1.404 177.726 176.300 0.035 0.000 1.155 229 M CA -0.120 55.196 55.300 0.027 0.000 1.003 229 M CB 0.342 32.904 32.600 -0.064 0.000 1.725 229 M HN 0.111 nan 8.290 nan 0.000 0.489 230 A N 1.267 124.097 122.820 0.016 0.000 1.894 230 A HA -0.283 4.037 4.320 -0.000 0.000 0.220 230 A C 1.816 179.352 177.584 -0.080 0.000 1.237 230 A CA 2.604 54.604 52.037 -0.062 0.000 0.660 230 A CB -1.407 17.527 19.000 -0.111 0.000 0.835 230 A HN 0.755 nan 8.150 nan 0.000 0.461 231 H N -0.529 118.529 119.070 -0.019 0.000 2.389 231 H HA 0.034 4.590 4.556 0.000 0.000 0.299 231 H C 1.719 176.951 175.328 -0.159 0.000 1.081 231 H CA 1.720 57.757 56.048 -0.019 0.000 1.345 231 H CB -0.067 29.787 29.762 0.152 0.000 1.393 231 H HN 0.669 nan 8.280 nan 0.000 0.520 232 I N -1.047 119.562 120.570 0.066 0.000 3.941 232 I HA 0.167 4.337 4.170 -0.000 0.000 0.335 232 I C 1.728 177.871 176.117 0.044 0.000 1.402 232 I CA 0.314 61.619 61.300 0.008 0.000 1.112 232 I CB 0.232 38.303 38.000 0.119 0.000 1.043 232 I HN 0.098 nan 8.210 nan 0.000 0.395 233 S N 1.887 117.620 115.700 0.056 0.000 2.380 233 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 233 S C 2.017 176.762 174.600 0.242 0.000 1.043 233 S CA 1.630 59.926 58.200 0.159 0.000 1.038 233 S CB -1.473 61.806 63.200 0.130 0.000 0.872 233 S HN 0.585 nan 8.310 nan 0.000 0.456 234 G N 1.810 110.714 108.800 0.174 0.000 2.408 234 G HA2 0.046 4.006 3.960 -0.000 0.000 0.217 234 G HA3 0.046 4.006 3.960 -0.000 0.000 0.217 234 G C 1.488 176.471 174.900 0.138 0.000 1.150 234 G CA 0.814 46.084 45.100 0.284 0.000 0.776 234 G HN 0.504 nan 8.290 nan 0.000 0.542 235 L N 0.389 121.614 121.223 0.003 0.000 2.017 235 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 235 L C 2.963 179.839 176.870 0.011 0.000 1.073 235 L CA 0.608 55.413 54.840 -0.059 0.000 0.745 235 L CB -0.801 41.219 42.059 -0.065 0.000 0.894 235 L HN 0.069 nan 8.230 nan 0.000 0.432 236 V N 0.465 120.438 119.914 0.098 0.000 2.407 236 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 236 V C 2.845 178.997 176.094 0.097 0.000 1.055 236 V CA 1.768 64.156 62.300 0.148 0.000 1.049 236 V CB -0.953 31.024 31.823 0.256 0.000 0.662 236 V HN 0.472 nan 8.190 nan 0.000 0.455 237 A N 0.124 122.978 122.820 0.056 0.000 1.902 237 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 237 A C 2.218 179.748 177.584 -0.089 0.000 1.181 237 A CA 1.967 53.850 52.037 -0.256 0.000 0.623 237 A CB -0.640 18.207 19.000 -0.254 0.000 0.818 237 A HN 0.620 nan 8.150 nan 0.000 0.443 238 A N -1.762 121.089 122.820 0.052 0.000 2.259 238 A HA 0.418 4.738 4.320 -0.000 0.000 0.208 238 A C 1.780 179.344 177.584 -0.032 0.000 1.201 238 A CA 1.129 53.189 52.037 0.037 0.000 0.824 238 A CB -1.104 17.895 19.000 -0.001 0.000 0.838 238 A HN 1.902 nan 8.150 nan 0.000 0.485 239 G N -1.499 107.281 108.800 -0.032 0.000 2.166 239 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 239 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 239 G C 0.879 175.757 174.900 -0.037 0.000 0.986 239 G CA 0.588 45.680 45.100 -0.013 0.000 0.683 239 G HN 0.742 nan 8.290 nan 0.000 0.527 240 V N -1.044 118.784 119.914 -0.143 0.000 3.141 240 V HA 0.195 4.315 4.120 -0.000 0.000 0.265 240 V C 1.356 177.409 176.094 -0.068 0.000 1.126 240 V CA 1.580 63.748 62.300 -0.220 0.000 1.141 240 V CB 0.262 31.832 31.823 -0.422 0.000 0.743 240 V HN 0.368 nan 8.190 nan 0.000 0.492 241 V N -0.668 119.240 119.914 -0.009 0.000 2.971 241 V HA 0.425 4.545 4.120 -0.000 0.000 0.309 241 V C -2.588 173.561 176.094 0.090 0.000 1.130 241 V CA -1.865 60.465 62.300 0.049 0.000 0.964 241 V CB 2.627 34.490 31.823 0.066 0.000 1.029 241 V HN 0.153 nan 8.190 nan 0.000 0.427 242 P HA 0.084 nan 4.420 nan 0.000 0.265 242 P C -0.561 176.850 177.300 0.184 0.000 1.193 242 P CA 0.429 63.623 63.100 0.157 0.000 0.765 242 P CB 0.432 32.247 31.700 0.192 0.000 0.823 243 S N 3.813 119.591 115.700 0.130 0.000 2.528 243 S HA 0.219 4.689 4.470 -0.000 0.000 0.277 243 S C -1.207 173.343 174.600 -0.083 0.000 1.297 243 S CA -1.375 56.874 58.200 0.081 0.000 1.052 243 S CB 0.060 63.322 63.200 0.103 0.000 0.917 243 S HN 0.337 nan 8.310 nan 0.000 0.492 244 P HA 0.050 nan 4.420 nan 0.000 0.236 244 P C 0.908 177.830 177.300 -0.629 0.000 1.177 244 P CA 0.547 63.018 63.100 -1.048 0.000 0.773 244 P CB -0.030 30.924 31.700 -1.243 0.000 0.878 245 F N 1.401 121.100 119.950 -0.419 0.000 2.333 245 F HA -0.081 4.446 4.527 -0.000 0.000 0.300 245 F C 2.279 178.030 175.800 -0.082 0.000 1.083 245 F CA 1.237 59.011 58.000 -0.376 0.000 1.395 245 F CB -0.745 37.830 39.000 -0.708 0.000 1.056 245 F HN -0.017 nan 8.300 nan 0.000 0.529 246 E N -1.106 119.057 120.200 -0.061 0.000 2.152 246 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 246 E C 1.443 177.789 176.600 -0.424 0.000 0.983 246 E CA 1.066 57.312 56.400 -0.257 0.000 0.818 246 E CB -0.105 29.292 29.700 -0.505 0.000 0.758 246 E HN 0.575 nan 8.360 nan 0.000 0.467 247 H N -1.733 117.336 119.070 -0.003 0.000 2.885 247 H HA 0.216 4.772 4.556 0.000 0.000 0.260 247 H C 0.531 175.797 175.328 -0.103 0.000 0.985 247 H CA -0.139 55.892 56.048 -0.028 0.000 1.210 247 H CB 0.324 30.100 29.762 0.024 0.000 1.466 247 H HN 0.087 nan 8.280 nan 0.000 0.493 248 C N 0.964 120.256 119.300 -0.012 0.000 2.398 248 C HA 0.188 4.648 4.460 -0.000 0.000 0.364 248 C C 1.742 176.719 174.990 -0.022 0.000 1.219 248 C CA -0.362 58.628 59.018 -0.047 0.000 2.312 248 C CB 1.012 28.700 27.740 -0.086 0.000 2.428 248 C HN 0.546 nan 8.230 nan 0.000 0.564 249 H N -0.398 118.736 119.070 0.107 0.000 2.465 249 H HA 0.244 4.800 4.556 -0.000 0.000 0.289 249 H C 0.109 175.439 175.328 0.004 0.000 1.022 249 H CA 0.804 56.850 56.048 -0.003 0.000 1.340 249 H CB 0.249 30.092 29.762 0.136 0.000 1.437 249 H HN 0.347 nan 8.280 nan 0.000 0.539 250 V N 0.918 120.964 119.914 0.221 0.000 2.841 250 V HA 0.343 4.463 4.120 -0.000 0.000 0.310 250 V C -1.008 175.141 176.094 0.092 0.000 1.090 250 V CA -0.941 61.478 62.300 0.199 0.000 0.930 250 V CB 2.939 34.812 31.823 0.084 0.000 1.014 250 V HN -0.141 nan 8.190 nan 0.000 0.425 251 V N 2.873 122.831 119.914 0.073 0.000 2.482 251 V HA 0.595 4.715 4.120 -0.000 0.000 0.295 251 V C 0.129 176.247 176.094 0.040 0.000 1.026 251 V CA -0.366 61.833 62.300 -0.169 0.000 0.856 251 V CB 2.088 33.408 31.823 -0.838 0.000 1.001 251 V HN 1.067 nan 8.190 nan 0.000 0.424 252 T N 0.889 115.440 114.554 -0.005 0.000 2.952 252 T HA 0.857 5.207 4.350 -0.000 0.000 0.286 252 T C -0.283 174.426 174.700 0.014 0.000 1.024 252 T CA -0.611 61.503 62.100 0.023 0.000 1.029 252 T CB 2.215 71.071 68.868 -0.020 0.000 1.094 252 T HN 0.731 nan 8.240 nan 0.000 0.515 253 T N -0.274 114.290 114.554 0.018 0.000 2.775 253 T HA 0.465 4.815 4.350 -0.000 0.000 0.320 253 T C -0.909 173.772 174.700 -0.032 0.000 1.597 253 T CA -0.506 61.593 62.100 -0.002 0.000 1.022 253 T CB 1.779 70.672 68.868 0.042 0.000 1.485 253 T HN 0.932 nan 8.240 nan 0.000 0.494 254 T N 0.621 115.116 114.554 -0.098 0.000 2.918 254 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 254 T C 1.515 176.144 174.700 -0.118 0.000 1.001 254 T CA 0.360 62.349 62.100 -0.184 0.000 1.041 254 T CB 0.903 69.492 68.868 -0.464 0.000 1.028 254 T HN 0.824 nan 8.240 nan 0.000 0.511 255 T N -0.386 114.154 114.554 -0.023 0.000 3.022 255 T HA 0.130 4.480 4.350 -0.000 0.000 0.250 255 T C 1.107 175.863 174.700 0.094 0.000 1.060 255 T CA 0.011 62.149 62.100 0.063 0.000 1.013 255 T CB -0.169 68.755 68.868 0.094 0.000 0.982 255 T HN 0.743 nan 8.240 nan 0.000 0.508 256 H N 1.239 120.310 119.070 0.002 0.000 3.327 256 H HA 0.563 5.119 4.556 -0.000 0.000 0.139 256 H C 0.882 176.197 175.328 -0.023 0.000 1.537 256 H CA -0.436 55.608 56.048 -0.008 0.000 1.647 256 H CB -0.396 29.351 29.762 -0.025 0.000 1.061 256 H HN 0.086 nan 8.280 nan 0.000 0.839 257 K N -1.326 119.077 120.400 0.004 0.000 1.867 257 K HA -0.263 4.057 4.320 -0.000 0.000 0.140 257 K C 1.538 178.110 176.600 -0.046 0.000 1.408 257 K CA 2.143 58.360 56.287 -0.116 0.000 0.461 257 K CB -1.680 30.619 32.500 -0.335 0.000 0.594 257 K HN 0.844 nan 8.250 nan 0.000 0.888 258 T N -0.155 114.340 114.554 -0.099 0.000 3.077 258 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 258 T C 1.488 176.284 174.700 0.161 0.000 1.146 258 T CA 1.499 63.589 62.100 -0.017 0.000 1.091 258 T CB 0.033 68.795 68.868 -0.176 0.000 0.892 258 T HN 0.334 nan 8.240 nan 0.000 0.533 259 L N 0.558 121.873 121.223 0.152 0.000 2.529 259 L HA 0.453 4.793 4.340 -0.000 0.000 0.223 259 L C 1.351 178.360 176.870 0.232 0.000 1.113 259 L CA 0.467 55.456 54.840 0.249 0.000 0.861 259 L CB -0.482 41.666 42.059 0.149 0.000 1.012 259 L HN 0.204 nan 8.230 nan 0.000 0.461 260 R N -0.948 119.659 120.500 0.178 0.000 3.875 260 R HA -0.178 4.162 4.340 -0.000 0.000 0.321 260 R C 0.796 177.154 176.300 0.098 0.000 1.196 260 R CA 0.508 56.689 56.100 0.135 0.000 0.868 260 R CB -2.460 27.927 30.300 0.144 0.000 1.333 260 R HN 0.546 nan 8.270 nan 0.000 0.522 261 G N 0.044 108.903 108.800 0.099 0.000 2.583 261 G HA2 0.456 4.416 3.960 -0.000 0.000 0.280 261 G HA3 0.456 4.416 3.960 -0.000 0.000 0.280 261 G C 0.605 175.556 174.900 0.084 0.000 1.376 261 G CA -0.130 45.014 45.100 0.074 0.000 1.043 261 G HN 0.368 nan 8.290 nan 0.000 0.538 262 C N -1.543 117.790 119.300 0.056 0.000 2.470 262 C HA 0.670 5.130 4.460 -0.000 0.000 0.350 262 C C 0.630 175.637 174.990 0.029 0.000 1.341 262 C CA -1.440 57.591 59.018 0.021 0.000 2.440 262 C CB 0.206 27.947 27.740 0.002 0.000 2.295 262 C HN 0.612 nan 8.230 nan 0.000 0.645 263 R N 1.737 122.173 120.500 -0.106 0.000 2.421 263 R HA 0.530 4.870 4.340 -0.000 0.000 0.305 263 R C 0.201 176.516 176.300 0.025 0.000 1.039 263 R CA 0.870 56.849 56.100 -0.202 0.000 1.003 263 R CB -0.047 30.038 30.300 -0.358 0.000 0.959 263 R HN 1.098 nan 8.270 nan 0.000 0.427 264 A N 1.429 124.352 122.820 0.172 0.000 2.375 264 A HA 0.701 5.021 4.320 -0.000 0.000 0.299 264 A C -1.138 176.514 177.584 0.113 0.000 1.044 264 A CA -0.218 51.884 52.037 0.110 0.000 0.585 264 A CB 1.190 20.222 19.000 0.053 0.000 1.438 264 A HN 0.727 nan 8.150 nan 0.000 0.574 265 G N -1.084 107.739 108.800 0.038 0.000 2.684 265 G HA2 0.696 4.656 3.960 -0.000 0.000 0.290 265 G HA3 0.696 4.656 3.960 -0.000 0.000 0.290 265 G C -1.189 173.683 174.900 -0.048 0.000 1.425 265 G CA -0.525 44.576 45.100 0.001 0.000 0.822 265 G HN 0.791 nan 8.290 nan 0.000 0.482 266 M N -0.024 119.533 119.600 -0.072 0.000 2.575 266 M HA 0.545 5.025 4.480 -0.000 0.000 0.284 266 M C -1.322 174.874 176.300 -0.174 0.000 1.253 266 M CA -0.595 54.599 55.300 -0.176 0.000 0.861 266 M CB 3.099 35.521 32.600 -0.296 0.000 1.733 266 M HN 0.285 nan 8.290 nan 0.000 0.462 267 I N 1.716 122.141 120.570 -0.241 0.000 2.468 267 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 267 I C -1.442 174.574 176.117 -0.169 0.000 1.039 267 I CA -0.323 60.921 61.300 -0.095 0.000 1.074 267 I CB 1.305 39.310 38.000 0.009 0.000 1.228 267 I HN 0.474 nan 8.210 nan 0.000 0.436 268 F N 6.298 126.257 119.950 0.016 0.000 2.399 268 F HA 0.554 5.081 4.527 0.000 0.000 0.334 268 F C -0.180 175.742 175.800 0.204 0.000 1.097 268 F CA -0.493 57.511 58.000 0.006 0.000 1.076 268 F CB 1.184 40.251 39.000 0.112 0.000 1.162 268 F HN 0.303 nan 8.300 nan 0.000 0.495 269 Y N -0.362 120.245 120.300 0.511 0.000 2.534 269 Y HA 0.622 5.172 4.550 -0.000 0.000 0.345 269 Y C -0.613 175.217 175.900 -0.116 0.000 1.031 269 Y CA -1.957 56.252 58.100 0.181 0.000 1.022 269 Y CB 0.823 39.272 38.460 -0.017 0.000 1.292 269 Y HN 0.369 nan 8.280 nan 0.000 0.459 270 R N 2.643 122.855 120.500 -0.481 0.000 2.543 270 R HA 0.371 4.711 4.340 -0.000 0.000 0.277 270 R C -0.783 175.237 176.300 -0.468 0.000 1.074 270 R CA -0.288 55.227 56.100 -0.974 0.000 1.076 270 R CB 0.873 30.343 30.300 -1.383 0.000 0.993 270 R HN 0.844 nan 8.270 nan 0.000 0.459 271 K N -0.144 120.090 120.400 -0.275 0.000 2.395 271 K HA 0.578 4.898 4.320 -0.000 0.000 0.245 271 K C -0.006 176.688 176.600 0.156 0.000 1.017 271 K CA -0.341 55.972 56.287 0.045 0.000 0.852 271 K CB 2.094 34.634 32.500 0.066 0.000 1.311 271 K HN 0.754 nan 8.250 nan 0.000 0.452 272 G N -0.297 108.601 108.800 0.164 0.000 2.568 272 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.222 272 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.222 272 G C -0.821 174.125 174.900 0.077 0.000 1.321 272 G CA -0.609 44.558 45.100 0.111 0.000 0.893 272 G HN 0.381 nan 8.290 nan 0.000 0.569 273 V N 1.808 121.722 119.914 0.000 0.000 2.485 273 V HA 0.284 4.404 4.120 -0.000 0.000 0.287 273 V C 1.737 177.662 176.094 -0.281 0.000 1.022 273 V CA 1.515 63.749 62.300 -0.109 0.000 1.067 273 V CB 1.143 32.928 31.823 -0.064 0.000 0.967 273 V HN 0.966 nan 8.190 nan 0.000 0.479 274 K N 3.483 123.553 120.400 -0.550 0.000 2.099 274 K HA 0.087 4.407 4.320 -0.000 0.000 0.203 274 K C 0.739 177.133 176.600 -0.343 0.000 1.047 274 K CA 1.066 56.830 56.287 -0.873 0.000 0.963 274 K CB 0.376 32.269 32.500 -1.012 0.000 0.759 274 K HN 0.866 nan 8.250 nan 0.000 0.451 275 S N -0.851 114.710 115.700 -0.233 0.000 2.643 275 S HA 0.523 4.993 4.470 -0.000 0.000 0.270 275 S C -0.824 173.719 174.600 -0.095 0.000 1.166 275 S CA -0.608 57.517 58.200 -0.126 0.000 0.815 275 S CB 1.683 64.820 63.200 -0.106 0.000 1.139 275 S HN 0.124 nan 8.310 nan 0.000 0.472 276 V N -1.660 118.216 119.914 -0.063 0.000 3.130 276 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 276 V C -1.465 174.606 176.094 -0.038 0.000 1.158 276 V CA -0.795 61.476 62.300 -0.048 0.000 1.029 276 V CB 1.863 33.664 31.823 -0.037 0.000 1.057 276 V HN 0.978 nan 8.190 nan 0.000 0.436 277 D N 1.959 122.340 120.400 -0.032 0.000 2.274 277 D HA 0.484 5.124 4.640 -0.000 0.000 0.239 277 D C -1.809 174.479 176.300 -0.020 0.000 1.104 277 D CA -1.786 52.199 54.000 -0.026 0.000 0.840 277 D CB 2.315 43.100 40.800 -0.024 0.000 1.100 277 D HN 0.350 nan 8.370 nan 0.000 0.477 278 P HA -0.151 nan 4.420 nan 0.000 0.216 278 P C 0.673 177.966 177.300 -0.011 0.000 1.153 278 P CA 1.499 64.592 63.100 -0.013 0.000 0.858 278 P CB 0.420 32.113 31.700 -0.011 0.000 0.789 279 A N -1.067 121.746 122.820 -0.012 0.000 1.871 279 A HA -0.064 4.256 4.320 -0.000 0.000 0.211 279 A C 2.227 179.804 177.584 -0.011 0.000 1.207 279 A CA 1.887 53.918 52.037 -0.010 0.000 0.620 279 A CB -1.686 17.308 19.000 -0.010 0.000 0.860 279 A HN 0.310 nan 8.150 nan 0.000 0.450 280 T N -3.797 110.749 114.554 -0.013 0.000 2.995 280 T HA 0.297 4.647 4.350 -0.000 0.000 0.269 280 T C 1.624 176.316 174.700 -0.014 0.000 1.091 280 T CA 1.353 63.446 62.100 -0.013 0.000 1.128 280 T CB -0.368 68.491 68.868 -0.015 0.000 0.891 280 T HN 1.716 nan 8.240 nan 0.000 0.492 281 G N 1.103 109.894 108.800 -0.015 0.000 2.189 281 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 281 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 281 G C 0.112 175.001 174.900 -0.019 0.000 0.975 281 G CA 0.463 45.553 45.100 -0.015 0.000 0.644 281 G HN 0.850 nan 8.290 nan 0.000 0.537 282 K N 1.978 122.365 120.400 -0.020 0.000 2.383 282 K HA 0.403 4.723 4.320 -0.000 0.000 0.286 282 K C 0.855 177.436 176.600 -0.032 0.000 1.051 282 K CA 0.056 56.329 56.287 -0.023 0.000 0.974 282 K CB 0.151 32.638 32.500 -0.022 0.000 0.968 282 K HN 0.619 nan 8.250 nan 0.000 0.475 283 E N 4.178 124.358 120.200 -0.034 0.000 2.197 283 E HA 0.268 4.618 4.350 -0.000 0.000 0.281 283 E C -0.715 175.850 176.600 -0.058 0.000 0.995 283 E CA -0.824 55.547 56.400 -0.048 0.000 0.808 283 E CB 0.958 30.632 29.700 -0.044 0.000 1.093 283 E HN 0.281 nan 8.360 nan 0.000 0.394 284 I N 3.767 124.288 120.570 -0.082 0.000 2.365 284 I HA 0.174 4.344 4.170 -0.000 0.000 0.291 284 I C -0.092 175.939 176.117 -0.144 0.000 1.004 284 I CA -0.262 60.980 61.300 -0.098 0.000 1.311 284 I CB 0.808 38.743 38.000 -0.107 0.000 1.401 284 I HN 0.512 nan 8.210 nan 0.000 0.491 285 L N 5.466 126.621 121.223 -0.112 0.000 2.352 285 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 285 L C -0.622 176.184 176.870 -0.106 0.000 1.034 285 L CA -1.068 53.703 54.840 -0.115 0.000 0.806 285 L CB 0.621 42.661 42.059 -0.032 0.000 1.244 285 L HN 0.308 nan 8.230 nan 0.000 0.447 286 Y N 0.689 120.984 120.300 -0.009 0.000 2.397 286 Y HA -0.008 4.542 4.550 -0.000 0.000 0.335 286 Y C 0.919 176.808 175.900 -0.019 0.000 1.213 286 Y CA 0.266 58.363 58.100 -0.005 0.000 1.391 286 Y CB 0.325 38.779 38.460 -0.009 0.000 1.293 286 Y HN 0.487 nan 8.280 nan 0.000 0.557 287 N N 1.556 120.360 118.700 0.174 0.000 2.241 287 N HA 0.141 4.881 4.740 -0.000 0.000 0.238 287 N C 0.714 176.200 175.510 -0.041 0.000 1.244 287 N CA 0.192 53.268 53.050 0.044 0.000 0.880 287 N CB 0.008 38.511 38.487 0.027 0.000 1.179 287 N HN 0.690 nan 8.380 nan 0.000 0.513 288 L N -0.144 121.049 121.223 -0.050 0.000 2.083 288 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 288 L C 2.196 178.769 176.870 -0.495 0.000 1.083 288 L CA 1.237 55.945 54.840 -0.220 0.000 0.752 288 L CB -0.281 41.669 42.059 -0.181 0.000 0.899 288 L HN 0.367 nan 8.230 nan 0.000 0.433 289 E N 0.090 119.967 120.200 -0.539 0.000 2.038 289 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 289 E C 2.366 178.650 176.600 -0.527 0.000 1.000 289 E CA 1.750 57.646 56.400 -0.841 0.000 0.803 289 E CB -0.022 29.508 29.700 -0.282 0.000 0.750 289 E HN 0.307 nan 8.360 nan 0.000 0.448 290 S N -0.156 115.374 115.700 -0.283 0.000 2.348 290 S HA -0.128 4.342 4.470 -0.000 0.000 0.221 290 S C 2.067 176.556 174.600 -0.184 0.000 1.033 290 S CA 1.233 59.320 58.200 -0.188 0.000 1.010 290 S CB -0.369 62.770 63.200 -0.102 0.000 0.891 290 S HN 0.338 nan 8.310 nan 0.000 0.442 291 L N 0.861 121.974 121.223 -0.183 0.000 1.989 291 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 291 L C 2.511 179.270 176.870 -0.185 0.000 1.071 291 L CA 1.549 56.297 54.840 -0.154 0.000 0.749 291 L CB -0.665 41.310 42.059 -0.140 0.000 0.890 291 L HN 0.367 nan 8.230 nan 0.000 0.431 292 I N -0.122 120.279 120.570 -0.280 0.000 2.226 292 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 292 I C 2.277 178.278 176.117 -0.194 0.000 1.100 292 I CA 1.057 62.202 61.300 -0.259 0.000 1.374 292 I CB -0.432 37.361 38.000 -0.346 0.000 1.057 292 I HN 0.341 nan 8.210 nan 0.000 0.413 293 N N 0.615 119.156 118.700 -0.266 0.000 2.120 293 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 293 N C 2.026 177.566 175.510 0.050 0.000 1.024 293 N CA 1.453 54.387 53.050 -0.192 0.000 0.852 293 N CB -0.368 37.824 38.487 -0.493 0.000 1.003 293 N HN 0.186 nan 8.380 nan 0.000 0.424 294 S N 0.723 116.414 115.700 -0.016 0.000 2.382 294 S HA -0.059 4.411 4.470 -0.000 0.000 0.228 294 S C 2.046 176.639 174.600 -0.012 0.000 1.027 294 S CA 1.081 59.290 58.200 0.016 0.000 0.991 294 S CB -0.249 62.936 63.200 -0.026 0.000 0.823 294 S HN 0.507 nan 8.310 nan 0.000 0.469 295 A N 1.059 123.858 122.820 -0.036 0.000 1.898 295 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 295 A C 2.333 179.908 177.584 -0.015 0.000 1.181 295 A CA 1.386 53.397 52.037 -0.042 0.000 0.620 295 A CB -0.845 18.114 19.000 -0.069 0.000 0.819 295 A HN 0.339 nan 8.150 nan 0.000 0.442 296 V N -2.313 117.616 119.914 0.025 0.000 2.295 296 V HA -0.030 4.090 4.120 -0.000 0.000 0.246 296 V C 0.926 177.078 176.094 0.097 0.000 1.049 296 V CA 1.827 64.155 62.300 0.046 0.000 1.024 296 V CB -0.602 31.282 31.823 0.102 0.000 0.648 296 V HN 0.522 nan 8.190 nan 0.000 0.447 297 F N 0.542 120.487 119.950 -0.008 0.000 2.615 297 F HA 0.511 5.038 4.527 -0.000 0.000 0.312 297 F C -2.432 173.356 175.800 -0.020 0.000 1.119 297 F CA -1.873 56.070 58.000 -0.094 0.000 0.979 297 F CB 2.185 41.011 39.000 -0.289 0.000 1.266 297 F HN -0.149 nan 8.300 nan 0.000 0.444 298 P HA 0.145 nan 4.420 nan 0.000 0.255 298 P C 0.899 177.862 177.300 -0.562 0.000 1.301 298 P CA 0.691 62.998 63.100 -1.322 0.000 0.817 298 P CB 0.277 31.409 31.700 -0.946 0.000 1.259 299 G N 1.214 109.845 108.800 -0.282 0.000 2.575 299 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 299 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 299 G C 1.360 176.206 174.900 -0.090 0.000 1.262 299 G CA 0.639 45.654 45.100 -0.142 0.000 0.807 299 G HN 0.237 nan 8.290 nan 0.000 0.567 300 L N -0.540 120.658 121.223 -0.043 0.000 2.269 300 L HA 0.258 4.598 4.340 -0.000 0.000 0.200 300 L C 1.654 178.537 176.870 0.022 0.000 1.069 300 L CA 0.255 55.099 54.840 0.008 0.000 0.804 300 L CB -0.170 41.922 42.059 0.055 0.000 0.987 300 L HN 0.214 nan 8.230 nan 0.000 0.468 301 Q N -0.796 119.013 119.800 0.015 0.000 2.180 301 Q HA 0.396 4.736 4.340 -0.000 0.000 0.241 301 Q C 0.145 176.296 176.000 0.252 0.000 0.970 301 Q CA -0.086 55.752 55.803 0.060 0.000 0.919 301 Q CB 1.526 30.108 28.738 -0.260 0.000 1.222 301 Q HN 0.183 nan 8.270 nan 0.000 0.482 302 G N -0.340 108.650 108.800 0.316 0.000 3.392 302 G HA2 0.432 4.392 3.960 -0.000 0.000 0.188 302 G HA3 0.432 4.392 3.960 -0.000 0.000 0.188 302 G C -0.261 174.771 174.900 0.220 0.000 1.485 302 G CA -0.241 45.076 45.100 0.362 0.000 0.943 302 G HN 0.602 nan 8.290 nan 0.000 0.627 303 G N 0.727 109.676 108.800 0.247 0.000 2.406 303 G HA2 0.485 4.445 3.960 -0.000 0.000 0.251 303 G HA3 0.485 4.445 3.960 -0.000 0.000 0.251 303 G C -2.560 172.358 174.900 0.030 0.000 1.271 303 G CA -0.408 44.664 45.100 -0.048 0.000 0.859 303 G HN 0.279 nan 8.290 nan 0.000 0.540 304 P HA 0.092 nan 4.420 nan 0.000 0.271 304 P C -0.262 177.169 177.300 0.217 0.000 1.218 304 P CA 0.054 63.190 63.100 0.061 0.000 0.780 304 P CB 0.446 32.094 31.700 -0.087 0.000 0.901 305 H N 2.310 121.419 119.070 0.065 0.000 2.882 305 H HA 0.159 4.715 4.556 -0.000 0.000 0.258 305 H C 0.927 176.203 175.328 -0.086 0.000 1.579 305 H CA -0.401 55.634 56.048 -0.022 0.000 1.340 305 H CB 0.018 29.680 29.762 -0.167 0.000 1.645 305 H HN 0.398 nan 8.280 nan 0.000 0.541 306 N N 1.525 120.315 118.700 0.149 0.000 2.205 306 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 306 N C 1.831 177.403 175.510 0.104 0.000 1.015 306 N CA 0.970 54.079 53.050 0.099 0.000 0.862 306 N CB -0.056 38.482 38.487 0.085 0.000 0.986 306 N HN 0.741 nan 8.380 nan 0.000 0.429 307 H N 0.060 119.134 119.070 0.006 0.000 2.353 307 H HA 0.118 4.674 4.556 -0.000 0.000 0.300 307 H C 1.878 177.219 175.328 0.021 0.000 1.090 307 H CA 1.318 57.365 56.048 -0.001 0.000 1.327 307 H CB -0.738 29.006 29.762 -0.029 0.000 1.383 307 H HN 0.133 nan 8.280 nan 0.000 0.508 308 A N 1.798 124.361 122.820 -0.428 0.000 1.930 308 A HA 0.026 4.346 4.320 -0.000 0.000 0.217 308 A C 2.709 180.243 177.584 -0.083 0.000 1.175 308 A CA 1.073 52.969 52.037 -0.235 0.000 0.627 308 A CB -0.794 18.053 19.000 -0.256 0.000 0.815 308 A HN 0.352 nan 8.150 nan 0.000 0.443 309 I N -0.247 120.289 120.570 -0.058 0.000 2.454 309 I HA -0.267 3.903 4.170 -0.000 0.000 0.254 309 I C 2.816 178.930 176.117 -0.005 0.000 1.156 309 I CA 0.857 62.146 61.300 -0.018 0.000 1.433 309 I CB -0.235 37.763 38.000 -0.004 0.000 1.082 309 I HN 0.384 nan 8.210 nan 0.000 0.432 310 A N 0.889 123.711 122.820 0.003 0.000 1.872 310 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 310 A C 2.470 180.057 177.584 0.005 0.000 1.187 310 A CA 1.500 53.544 52.037 0.013 0.000 0.614 310 A CB -1.329 17.689 19.000 0.030 0.000 0.826 310 A HN 0.404 nan 8.150 nan 0.000 0.442 311 G N -0.352 108.450 108.800 0.003 0.000 2.442 311 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 311 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 311 G C 1.493 176.393 174.900 0.001 0.000 1.141 311 G CA 1.388 46.490 45.100 0.004 0.000 0.763 311 G HN 0.314 nan 8.290 nan 0.000 0.554 312 V N 1.471 121.384 119.914 -0.001 0.000 2.307 312 V HA -0.110 4.010 4.120 -0.000 0.000 0.245 312 V C 3.325 179.414 176.094 -0.008 0.000 1.045 312 V CA 1.967 64.269 62.300 0.003 0.000 1.024 312 V CB -0.915 30.910 31.823 0.002 0.000 0.651 312 V HN 0.478 nan 8.190 nan 0.000 0.449 313 A N -0.121 122.693 122.820 -0.009 0.000 1.908 313 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 313 A C 2.396 179.964 177.584 -0.027 0.000 1.181 313 A CA 2.220 54.248 52.037 -0.015 0.000 0.627 313 A CB -0.721 18.275 19.000 -0.007 0.000 0.818 313 A HN 0.342 nan 8.150 nan 0.000 0.445 314 V N -0.258 119.643 119.914 -0.022 0.000 2.358 314 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 314 V C 3.039 179.103 176.094 -0.051 0.000 1.047 314 V CA 1.891 64.173 62.300 -0.030 0.000 1.035 314 V CB -1.218 30.596 31.823 -0.016 0.000 0.658 314 V HN 0.615 nan 8.190 nan 0.000 0.452 315 A N -0.380 122.413 122.820 -0.045 0.000 1.972 315 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 315 A C 2.182 179.677 177.584 -0.148 0.000 1.169 315 A CA 1.590 53.584 52.037 -0.071 0.000 0.635 315 A CB -0.485 18.500 19.000 -0.025 0.000 0.810 315 A HN 0.529 nan 8.150 nan 0.000 0.446 316 L N -0.952 120.203 121.223 -0.113 0.000 2.217 316 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 316 L C 2.547 179.308 176.870 -0.182 0.000 1.107 316 L CA 1.496 56.249 54.840 -0.145 0.000 0.783 316 L CB -0.316 41.706 42.059 -0.061 0.000 0.919 316 L HN 0.443 nan 8.230 nan 0.000 0.442 317 K N 0.249 120.568 120.400 -0.134 0.000 2.062 317 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 317 K C 2.066 178.572 176.600 -0.157 0.000 1.051 317 K CA 1.214 57.429 56.287 -0.119 0.000 0.941 317 K CB 0.068 32.524 32.500 -0.074 0.000 0.719 317 K HN 0.348 nan 8.250 nan 0.000 0.440 318 Q N -0.214 119.480 119.800 -0.177 0.000 2.124 318 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 318 Q C 1.994 177.738 176.000 -0.426 0.000 0.977 318 Q CA 1.276 56.965 55.803 -0.190 0.000 0.850 318 Q CB -0.096 28.564 28.738 -0.129 0.000 0.901 318 Q HN 0.380 nan 8.270 nan 0.000 0.429 319 A N 0.489 122.872 122.820 -0.728 0.000 2.125 319 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 319 A C 1.782 178.952 177.584 -0.688 0.000 1.156 319 A CA 1.006 52.194 52.037 -1.414 0.000 0.671 319 A CB -0.265 18.130 19.000 -1.008 0.000 0.794 319 A HN 0.293 nan 8.150 nan 0.000 0.459 320 M N 0.181 119.571 119.600 -0.351 0.000 2.428 320 M HA 0.047 4.527 4.480 -0.000 0.000 0.239 320 M C 0.795 177.054 176.300 -0.067 0.000 1.121 320 M CA 0.416 55.609 55.300 -0.178 0.000 1.019 320 M CB 0.001 32.505 32.600 -0.159 0.000 1.485 320 M HN 0.472 nan 8.290 nan 0.000 0.484 321 T N -1.385 113.149 114.554 -0.034 0.000 2.849 321 T HA 0.225 4.575 4.350 -0.000 0.000 0.284 321 T C 0.833 175.598 174.700 0.109 0.000 1.004 321 T CA -0.725 61.397 62.100 0.036 0.000 1.021 321 T CB 1.652 70.546 68.868 0.043 0.000 1.013 321 T HN 0.085 nan 8.240 nan 0.000 0.527 322 L N 0.632 121.908 121.223 0.087 0.000 2.109 322 L HA 0.127 4.467 4.340 -0.000 0.000 0.207 322 L C 2.405 179.354 176.870 0.132 0.000 1.086 322 L CA 1.711 56.610 54.840 0.098 0.000 0.760 322 L CB -1.257 40.839 42.059 0.061 0.000 0.910 322 L HN 0.787 nan 8.230 nan 0.000 0.437 323 E N -0.921 119.356 120.200 0.128 0.000 2.118 323 E HA -0.272 4.078 4.350 -0.000 0.000 0.195 323 E C 1.940 178.667 176.600 0.210 0.000 0.992 323 E CA 1.763 58.246 56.400 0.139 0.000 0.804 323 E CB -0.520 29.245 29.700 0.109 0.000 0.741 323 E HN 0.534 nan 8.360 nan 0.000 0.458 324 F N 1.237 121.236 119.950 0.082 0.000 2.146 324 F HA -0.104 4.423 4.527 0.000 0.000 0.298 324 F C 2.126 178.027 175.800 0.169 0.000 1.096 324 F CA 1.461 59.540 58.000 0.131 0.000 1.275 324 F CB 0.033 39.069 39.000 0.060 0.000 1.008 324 F HN -0.148 nan 8.300 nan 0.000 0.480 325 K N -0.111 120.444 120.400 0.259 0.000 2.063 325 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 325 K C 1.949 178.644 176.600 0.157 0.000 1.048 325 K CA 1.727 58.111 56.287 0.163 0.000 0.928 325 K CB -0.337 32.277 32.500 0.189 0.000 0.713 325 K HN 0.209 nan 8.250 nan 0.000 0.442 326 V N 0.685 120.693 119.914 0.156 0.000 2.358 326 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 326 V C 2.058 178.208 176.094 0.093 0.000 1.047 326 V CA 1.838 64.220 62.300 0.136 0.000 1.035 326 V CB -0.662 31.223 31.823 0.104 0.000 0.658 326 V HN 0.399 nan 8.190 nan 0.000 0.452 327 Y N 1.360 121.623 120.300 -0.061 0.000 2.128 327 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 327 Y C 2.637 178.419 175.900 -0.195 0.000 1.154 327 Y CA 1.870 59.892 58.100 -0.131 0.000 1.149 327 Y CB -0.385 37.950 38.460 -0.208 0.000 0.976 327 Y HN 0.217 nan 8.280 nan 0.000 0.505 328 Q N -0.506 118.947 119.800 -0.578 0.000 2.124 328 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 328 Q C 2.198 177.928 176.000 -0.449 0.000 0.977 328 Q CA 1.703 57.110 55.803 -0.659 0.000 0.850 328 Q CB -0.685 27.727 28.738 -0.544 0.000 0.901 328 Q HN 0.700 nan 8.270 nan 0.000 0.429 329 H N 0.098 119.033 119.070 -0.226 0.000 2.389 329 H HA -0.080 4.476 4.556 -0.000 0.000 0.299 329 H C 2.088 177.321 175.328 -0.159 0.000 1.081 329 H CA 1.482 57.442 56.048 -0.147 0.000 1.345 329 H CB 0.297 30.008 29.762 -0.085 0.000 1.393 329 H HN 0.213 nan 8.280 nan 0.000 0.520 330 Q N 0.989 120.753 119.800 -0.059 0.000 2.167 330 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 330 Q C 2.386 178.279 176.000 -0.179 0.000 0.970 330 Q CA 0.960 56.715 55.803 -0.079 0.000 0.855 330 Q CB -0.328 28.392 28.738 -0.029 0.000 0.911 330 Q HN 0.154 nan 8.270 nan 0.000 0.438 331 V N -0.683 119.033 119.914 -0.329 0.000 2.287 331 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 331 V C 2.184 178.118 176.094 -0.267 0.000 1.053 331 V CA 1.733 63.817 62.300 -0.359 0.000 1.027 331 V CB -0.537 30.981 31.823 -0.509 0.000 0.646 331 V HN 0.253 nan 8.190 nan 0.000 0.447 332 V N 0.045 119.832 119.914 -0.212 0.000 2.379 332 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 332 V C 2.664 178.672 176.094 -0.143 0.000 1.044 332 V CA 1.766 63.974 62.300 -0.153 0.000 1.036 332 V CB -1.038 30.719 31.823 -0.111 0.000 0.664 332 V HN 0.550 nan 8.190 nan 0.000 0.453 333 A N 0.520 123.271 122.820 -0.115 0.000 1.902 333 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 333 A C 2.052 179.551 177.584 -0.143 0.000 1.181 333 A CA 2.070 54.053 52.037 -0.090 0.000 0.623 333 A CB -0.653 18.319 19.000 -0.045 0.000 0.818 333 A HN 0.579 nan 8.150 nan 0.000 0.443 334 N N -0.572 117.990 118.700 -0.230 0.000 2.244 334 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 334 N C 1.719 176.905 175.510 -0.540 0.000 1.016 334 N CA 1.326 54.125 53.050 -0.418 0.000 0.866 334 N CB -0.891 37.176 38.487 -0.700 0.000 0.980 334 N HN 0.594 nan 8.380 nan 0.000 0.430 335 C N 1.119 120.169 119.300 -0.416 0.000 2.446 335 C HA 0.097 4.557 4.460 -0.000 0.000 0.277 335 C C 2.697 177.559 174.990 -0.214 0.000 1.275 335 C CA 0.431 59.251 59.018 -0.330 0.000 1.727 335 C CB -0.732 26.858 27.740 -0.250 0.000 2.010 335 C HN 0.379 nan 8.230 nan 0.000 0.486 336 R N 0.414 120.816 120.500 -0.163 0.000 2.073 336 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 336 R C 2.462 178.707 176.300 -0.091 0.000 1.134 336 R CA 1.657 57.693 56.100 -0.106 0.000 0.952 336 R CB -0.488 29.766 30.300 -0.077 0.000 0.850 336 R HN 0.615 nan 8.270 nan 0.000 0.433 337 A N 1.059 123.821 122.820 -0.097 0.000 1.883 337 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 337 A C 2.048 179.601 177.584 -0.052 0.000 1.186 337 A CA 1.322 53.325 52.037 -0.056 0.000 0.624 337 A CB -0.585 18.399 19.000 -0.027 0.000 0.822 337 A HN 0.287 nan 8.150 nan 0.000 0.444 338 L N -0.310 120.863 121.223 -0.083 0.000 2.056 338 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 338 L C 2.601 179.430 176.870 -0.068 0.000 1.078 338 L CA 2.620 57.431 54.840 -0.049 0.000 0.749 338 L CB -0.783 41.238 42.059 -0.063 0.000 0.901 338 L HN 0.360 nan 8.230 nan 0.000 0.433 339 S N -0.342 115.305 115.700 -0.088 0.000 2.348 339 S HA -0.265 4.205 4.470 -0.000 0.000 0.221 339 S C 1.965 176.540 174.600 -0.042 0.000 1.033 339 S CA 1.502 59.657 58.200 -0.074 0.000 1.010 339 S CB -0.494 62.655 63.200 -0.086 0.000 0.891 339 S HN 0.770 nan 8.310 nan 0.000 0.442 340 E N 0.853 121.032 120.200 -0.037 0.000 2.150 340 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 340 E C 2.133 178.733 176.600 -0.000 0.000 0.985 340 E CA 1.055 57.446 56.400 -0.015 0.000 0.814 340 E CB -0.585 29.106 29.700 -0.015 0.000 0.752 340 E HN 0.550 nan 8.360 nan 0.000 0.466 341 A N 1.948 124.761 122.820 -0.012 0.000 1.883 341 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 341 A C 2.326 179.926 177.584 0.028 0.000 1.186 341 A CA 1.412 53.449 52.037 -0.001 0.000 0.624 341 A CB -0.749 18.221 19.000 -0.049 0.000 0.822 341 A HN 0.293 nan 8.150 nan 0.000 0.444 342 L N -0.871 120.352 121.223 -0.000 0.000 2.093 342 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 342 L C 2.762 179.732 176.870 0.167 0.000 1.085 342 L CA 1.596 56.453 54.840 0.029 0.000 0.755 342 L CB -0.808 41.160 42.059 -0.151 0.000 0.904 342 L HN 0.355 nan 8.230 nan 0.000 0.435 343 T N -0.644 113.963 114.554 0.088 0.000 2.708 343 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 343 T C 1.705 176.451 174.700 0.076 0.000 1.037 343 T CA 1.354 63.505 62.100 0.085 0.000 1.146 343 T CB -0.163 68.727 68.868 0.037 0.000 0.865 343 T HN 0.380 nan 8.240 nan 0.000 0.435 344 E N 0.649 120.884 120.200 0.058 0.000 2.153 344 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 344 E C 1.727 178.356 176.600 0.047 0.000 0.988 344 E CA 0.665 57.091 56.400 0.042 0.000 0.811 344 E CB -0.214 29.507 29.700 0.036 0.000 0.746 344 E HN 0.406 nan 8.360 nan 0.000 0.466 345 L N -0.343 120.936 121.223 0.094 0.000 2.627 345 L HA 0.080 4.420 4.340 -0.000 0.000 0.233 345 L C 1.196 178.089 176.870 0.037 0.000 1.144 345 L CA 0.331 55.220 54.840 0.083 0.000 0.892 345 L CB 0.063 42.229 42.059 0.177 0.000 1.039 345 L HN 0.328 nan 8.230 nan 0.000 0.442 346 G N -1.482 107.342 108.800 0.039 0.000 2.157 346 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.248 346 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.248 346 G C -0.035 174.816 174.900 -0.082 0.000 0.979 346 G CA -0.454 44.619 45.100 -0.045 0.000 0.650 346 G HN 0.249 nan 8.290 nan 0.000 0.529 347 Y N 0.585 120.892 120.300 0.012 0.000 2.309 347 Y HA 0.491 5.041 4.550 0.000 0.000 0.327 347 Y C 0.939 176.840 175.900 0.002 0.000 1.172 347 Y CA -0.059 58.053 58.100 0.018 0.000 1.280 347 Y CB 1.011 39.489 38.460 0.030 0.000 1.234 347 Y HN 0.099 nan 8.280 nan 0.000 0.512 348 K N 4.439 124.924 120.400 0.141 0.000 2.248 348 K HA 0.329 4.649 4.320 -0.000 0.000 0.281 348 K C -1.293 175.345 176.600 0.064 0.000 1.054 348 K CA -0.457 55.874 56.287 0.072 0.000 0.903 348 K CB 0.299 32.819 32.500 0.035 0.000 1.077 348 K HN 0.520 nan 8.250 nan 0.000 0.474 349 I N 5.223 125.811 120.570 0.029 0.000 2.321 349 I HA 0.123 4.293 4.170 -0.000 0.000 0.291 349 I C 0.231 176.322 176.117 -0.044 0.000 0.998 349 I CA -0.874 60.418 61.300 -0.014 0.000 1.227 349 I CB 1.287 39.267 38.000 -0.034 0.000 1.368 349 I HN 0.363 nan 8.210 nan 0.000 0.466 350 V N 6.815 126.689 119.914 -0.067 0.000 2.557 350 V HA 0.008 4.128 4.120 -0.000 0.000 0.301 350 V C 1.429 177.426 176.094 -0.161 0.000 1.026 350 V CA 0.963 63.206 62.300 -0.094 0.000 1.137 350 V CB 0.367 32.131 31.823 -0.099 0.000 0.917 350 V HN 1.070 nan 8.190 nan 0.000 0.484 351 T N 3.770 118.232 114.554 -0.155 0.000 5.979 351 T HA -0.246 4.104 4.350 -0.000 0.000 0.273 351 T C 1.361 176.008 174.700 -0.088 0.000 2.195 351 T CA 1.646 63.609 62.100 -0.228 0.000 3.693 351 T CB -1.411 67.109 68.868 -0.579 0.000 0.944 351 T HN 2.287 nan 8.240 nan 0.000 1.117 352 G N -0.802 107.962 108.800 -0.060 0.000 2.304 352 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.252 352 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.252 352 G C 1.100 175.974 174.900 -0.043 0.000 1.014 352 G CA 1.078 46.163 45.100 -0.026 0.000 0.619 352 G HN 1.895 nan 8.290 nan 0.000 0.525 353 G N -1.746 107.005 108.800 -0.081 0.000 2.635 353 G HA2 0.769 4.729 3.960 -0.000 0.000 0.194 353 G HA3 0.769 4.729 3.960 -0.000 0.000 0.194 353 G C -0.712 174.103 174.900 -0.141 0.000 1.198 353 G CA 0.962 46.008 45.100 -0.089 0.000 0.972 353 G HN 1.760 nan 8.290 nan 0.000 0.520 354 S N -1.307 114.317 115.700 -0.127 0.000 2.543 354 S HA 0.507 4.977 4.470 -0.000 0.000 0.274 354 S C -1.329 173.207 174.600 -0.107 0.000 1.149 354 S CA -0.215 57.891 58.200 -0.157 0.000 0.866 354 S CB 1.841 64.935 63.200 -0.177 0.000 1.111 354 S HN 0.364 nan 8.310 nan 0.000 0.457 355 D N 1.832 122.172 120.400 -0.100 0.000 2.369 355 D HA 0.196 4.836 4.640 -0.000 0.000 0.211 355 D C 0.477 176.756 176.300 -0.035 0.000 1.077 355 D CA 0.428 54.400 54.000 -0.047 0.000 0.842 355 D CB 0.141 40.931 40.800 -0.018 0.000 0.947 355 D HN 0.668 nan 8.370 nan 0.000 0.509 356 N N -0.759 117.909 118.700 -0.053 0.000 3.512 356 N HA -0.013 4.727 4.740 -0.000 0.000 0.360 356 N C 0.962 176.456 175.510 -0.027 0.000 1.593 356 N CA -0.486 52.570 53.050 0.011 0.000 0.672 356 N CB -0.176 38.395 38.487 0.140 0.000 2.105 356 N HN -0.176 nan 8.380 nan 0.000 0.645 357 H N -0.899 118.111 119.070 -0.101 0.000 2.555 357 H HA 0.265 4.821 4.556 0.000 0.000 0.269 357 H C 0.070 175.334 175.328 -0.106 0.000 0.988 357 H CA 0.127 56.103 56.048 -0.120 0.000 1.178 357 H CB -0.571 29.142 29.762 -0.081 0.000 1.373 357 H HN 0.539 nan 8.280 nan 0.000 0.588 358 L N -0.548 120.321 121.223 -0.590 0.000 2.341 358 L HA 0.707 5.047 4.340 -0.000 0.000 0.254 358 L C -0.804 175.885 176.870 -0.301 0.000 1.040 358 L CA -1.626 52.942 54.840 -0.454 0.000 0.837 358 L CB 2.368 44.084 42.059 -0.572 0.000 1.425 358 L HN 0.057 nan 8.230 nan 0.000 0.414 359 I N -1.126 119.308 120.570 -0.227 0.000 2.913 359 I HA 0.709 4.879 4.170 -0.000 0.000 0.302 359 I C -1.782 174.248 176.117 -0.146 0.000 1.246 359 I CA -1.065 60.125 61.300 -0.183 0.000 1.010 359 I CB 2.335 40.246 38.000 -0.148 0.000 1.259 359 I HN 0.699 nan 8.210 nan 0.000 0.434 360 L N 5.097 126.241 121.223 -0.131 0.000 2.316 360 L HA 0.592 4.932 4.340 -0.000 0.000 0.280 360 L C -1.007 175.824 176.870 -0.065 0.000 1.006 360 L CA -0.446 54.337 54.840 -0.095 0.000 0.836 360 L CB 1.542 43.542 42.059 -0.098 0.000 1.221 360 L HN 0.512 nan 8.230 nan 0.000 0.418 361 V N 4.275 124.165 119.914 -0.040 0.000 2.385 361 V HA 0.246 4.366 4.120 -0.000 0.000 0.269 361 V C 0.004 176.117 176.094 0.032 0.000 1.043 361 V CA -0.566 61.737 62.300 0.004 0.000 0.906 361 V CB 1.058 32.880 31.823 -0.001 0.000 0.995 361 V HN 0.685 nan 8.190 nan 0.000 0.467 362 D N 4.722 125.147 120.400 0.042 0.000 2.402 362 D HA 0.168 4.808 4.640 -0.000 0.000 0.235 362 D C 0.976 177.315 176.300 0.066 0.000 1.226 362 D CA -0.042 53.978 54.000 0.034 0.000 0.918 362 D CB 1.019 41.828 40.800 0.015 0.000 1.043 362 D HN 0.495 nan 8.370 nan 0.000 0.506 363 L N 3.315 124.577 121.223 0.065 0.000 2.633 363 L HA -0.021 4.319 4.340 -0.000 0.000 0.235 363 L C 2.280 179.164 176.870 0.023 0.000 1.163 363 L CA 0.313 55.199 54.840 0.077 0.000 0.859 363 L CB -0.097 42.002 42.059 0.066 0.000 0.973 363 L HN 0.248 nan 8.230 nan 0.000 0.451 364 R N -0.046 120.458 120.500 0.007 0.000 2.193 364 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 364 R C 2.538 178.826 176.300 -0.019 0.000 1.110 364 R CA 1.398 57.492 56.100 -0.010 0.000 0.988 364 R CB -0.221 30.073 30.300 -0.010 0.000 0.871 364 R HN 0.464 nan 8.270 nan 0.000 0.458 365 S N 0.301 115.989 115.700 -0.020 0.000 2.447 365 S HA -0.038 4.432 4.470 -0.000 0.000 0.233 365 S C 1.425 175.964 174.600 -0.102 0.000 1.006 365 S CA 0.826 58.995 58.200 -0.051 0.000 0.957 365 S CB 0.190 63.365 63.200 -0.042 0.000 0.773 365 S HN 0.067 nan 8.310 nan 0.000 0.507 366 K N 0.621 120.961 120.400 -0.100 0.000 2.387 366 K HA 0.325 4.645 4.320 -0.000 0.000 0.203 366 K C 0.942 177.512 176.600 -0.050 0.000 1.030 366 K CA 0.446 56.662 56.287 -0.117 0.000 1.099 366 K CB 0.323 32.723 32.500 -0.166 0.000 0.863 366 K HN 0.507 nan 8.250 nan 0.000 0.529 367 G N 1.894 110.673 108.800 -0.035 0.000 2.256 367 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.272 367 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.272 367 G C 0.087 174.976 174.900 -0.018 0.000 1.076 367 G CA 0.993 46.081 45.100 -0.022 0.000 0.882 367 G HN 0.353 nan 8.290 nan 0.000 0.497 368 T N -1.188 113.353 114.554 -0.021 0.000 2.648 368 T HA 0.606 4.956 4.350 -0.000 0.000 0.304 368 T C -1.360 173.313 174.700 -0.044 0.000 1.312 368 T CA 0.575 62.653 62.100 -0.036 0.000 1.023 368 T CB 1.384 70.235 68.868 -0.027 0.000 1.612 368 T HN 0.796 nan 8.240 nan 0.000 0.487 369 D N -1.285 119.067 120.400 -0.080 0.000 2.523 369 D HA 0.583 5.223 4.640 -0.000 0.000 0.236 369 D C 1.192 177.442 176.300 -0.083 0.000 1.094 369 D CA -0.364 53.590 54.000 -0.077 0.000 0.942 369 D CB 0.807 41.549 40.800 -0.097 0.000 1.447 369 D HN 0.651 nan 8.370 nan 0.000 0.479 370 G N -0.561 108.203 108.800 -0.061 0.000 2.443 370 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 370 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 370 G C 1.270 176.126 174.900 -0.074 0.000 1.131 370 G CA 0.479 45.548 45.100 -0.051 0.000 0.775 370 G HN 0.593 nan 8.290 nan 0.000 0.547 371 G N 0.820 109.558 108.800 -0.103 0.000 2.421 371 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 371 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 371 G C 1.945 176.743 174.900 -0.171 0.000 1.171 371 G CA 0.715 45.746 45.100 -0.115 0.000 0.775 371 G HN 0.445 nan 8.290 nan 0.000 0.543 372 R N 0.443 120.752 120.500 -0.318 0.000 2.073 372 R HA 0.146 4.486 4.340 -0.000 0.000 0.229 372 R C 3.010 179.177 176.300 -0.221 0.000 1.120 372 R CA 0.999 56.742 56.100 -0.595 0.000 0.967 372 R CB -0.359 29.236 30.300 -1.175 0.000 0.862 372 R HN 0.331 nan 8.270 nan 0.000 0.436 373 A N 1.320 124.065 122.820 -0.125 0.000 1.972 373 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 373 A C 2.056 179.650 177.584 0.016 0.000 1.169 373 A CA 1.477 53.507 52.037 -0.010 0.000 0.635 373 A CB -0.410 18.590 19.000 0.001 0.000 0.810 373 A HN 0.437 nan 8.150 nan 0.000 0.446 374 E N -0.243 119.953 120.200 -0.006 0.000 2.051 374 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 374 E C 1.849 178.470 176.600 0.035 0.000 0.991 374 E CA 1.603 58.009 56.400 0.010 0.000 0.799 374 E CB -0.071 29.625 29.700 -0.006 0.000 0.748 374 E HN 0.385 nan 8.360 nan 0.000 0.449 375 K N 0.113 120.545 120.400 0.053 0.000 2.057 375 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 375 K C 2.014 178.674 176.600 0.099 0.000 1.050 375 K CA 1.028 57.368 56.287 0.089 0.000 0.935 375 K CB -0.478 32.107 32.500 0.141 0.000 0.715 375 K HN 0.037 nan 8.250 nan 0.000 0.439 376 V N 1.088 121.083 119.914 0.135 0.000 2.261 376 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 376 V C 2.165 178.292 176.094 0.054 0.000 1.047 376 V CA 1.648 64.006 62.300 0.097 0.000 1.015 376 V CB -0.468 31.429 31.823 0.123 0.000 0.642 376 V HN 0.227 nan 8.190 nan 0.000 0.446 377 L N -0.133 121.122 121.223 0.053 0.000 2.079 377 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 377 L C 2.612 179.504 176.870 0.036 0.000 1.081 377 L CA 1.997 56.862 54.840 0.041 0.000 0.752 377 L CB -0.586 41.499 42.059 0.042 0.000 0.896 377 L HN 0.461 nan 8.230 nan 0.000 0.433 378 E N 0.483 120.707 120.200 0.039 0.000 2.072 378 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 378 E C 2.193 178.811 176.600 0.028 0.000 0.985 378 E CA 1.091 57.512 56.400 0.035 0.000 0.801 378 E CB 0.007 29.729 29.700 0.036 0.000 0.750 378 E HN 0.463 nan 8.360 nan 0.000 0.452 379 A N 0.001 122.838 122.820 0.028 0.000 2.125 379 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 379 A C 1.960 179.549 177.584 0.009 0.000 1.156 379 A CA 1.100 53.148 52.037 0.018 0.000 0.671 379 A CB -0.324 18.685 19.000 0.016 0.000 0.794 379 A HN 0.454 nan 8.150 nan 0.000 0.459 380 C N -0.699 118.605 119.300 0.007 0.000 2.778 380 C HA 0.432 4.892 4.460 -0.000 0.000 0.294 380 C C 1.286 176.272 174.990 -0.007 0.000 1.331 380 C CA 0.225 59.237 59.018 -0.011 0.000 1.741 380 C CB -1.374 26.352 27.740 -0.024 0.000 2.106 380 C HN 0.610 nan 8.230 nan 0.000 0.603 381 S N 0.704 116.412 115.700 0.012 0.000 3.490 381 S HA -0.136 4.334 4.470 -0.000 0.000 0.301 381 S C -0.107 174.517 174.600 0.041 0.000 1.233 381 S CA 0.530 58.745 58.200 0.026 0.000 0.914 381 S CB -1.246 61.967 63.200 0.022 0.000 1.047 381 S HN 0.649 nan 8.310 nan 0.000 0.602 382 I N 1.658 122.253 120.570 0.042 0.000 2.306 382 I HA 0.539 4.709 4.170 -0.000 0.000 0.288 382 I C 0.643 176.792 176.117 0.054 0.000 1.036 382 I CA -0.281 61.054 61.300 0.059 0.000 1.221 382 I CB 0.561 38.598 38.000 0.062 0.000 1.385 382 I HN 0.330 nan 8.210 nan 0.000 0.472 383 A N 7.033 129.888 122.820 0.059 0.000 2.276 383 A HA 0.675 4.995 4.320 -0.000 0.000 0.300 383 A C 0.115 177.729 177.584 0.049 0.000 1.235 383 A CA -0.290 51.778 52.037 0.051 0.000 0.867 383 A CB 0.546 19.577 19.000 0.052 0.000 1.137 383 A HN 0.959 nan 8.150 nan 0.000 0.527 384 C N 1.593 120.916 119.300 0.039 0.000 3.272 384 C HA 0.852 5.312 4.460 -0.000 0.000 0.363 384 C C -1.280 173.724 174.990 0.022 0.000 1.514 384 C CA -0.768 58.269 59.018 0.033 0.000 1.185 384 C CB 1.472 29.229 27.740 0.029 0.000 1.716 384 C HN 0.998 nan 8.230 nan 0.000 0.440 385 N N 0.192 118.901 118.700 0.014 0.000 2.242 385 N HA 0.403 5.143 4.740 -0.000 0.000 0.292 385 N C -1.311 174.193 175.510 -0.010 0.000 1.125 385 N CA -0.540 52.513 53.050 0.004 0.000 0.783 385 N CB 2.018 40.510 38.487 0.009 0.000 1.558 385 N HN 1.027 nan 8.380 nan 0.000 0.472 386 K N 0.725 121.114 120.400 -0.018 0.000 2.230 386 K HA 0.258 4.578 4.320 -0.000 0.000 0.253 386 K C -0.866 175.712 176.600 -0.036 0.000 1.008 386 K CA -0.298 55.971 56.287 -0.029 0.000 0.910 386 K CB 0.453 32.931 32.500 -0.037 0.000 0.994 386 K HN 0.742 nan 8.250 nan 0.000 0.495 387 N N -0.139 118.536 118.700 -0.042 0.000 2.827 387 N HA 0.034 4.774 4.740 -0.000 0.000 0.248 387 N C -1.818 173.663 175.510 -0.049 0.000 1.074 387 N CA -0.453 52.567 53.050 -0.050 0.000 1.042 387 N CB 1.521 39.977 38.487 -0.052 0.000 1.684 387 N HN 0.809 nan 8.380 nan 0.000 0.542 388 T N -0.062 114.460 114.554 -0.054 0.000 2.932 388 T HA 0.274 4.624 4.350 -0.000 0.000 0.312 388 T C 0.303 174.978 174.700 -0.042 0.000 1.071 388 T CA -0.210 61.862 62.100 -0.047 0.000 1.128 388 T CB 0.018 68.856 68.868 -0.050 0.000 0.984 388 T HN 0.395 nan 8.240 nan 0.000 0.549 389 C N 3.887 123.168 119.300 -0.033 0.000 2.399 389 C HA 0.552 5.012 4.460 -0.000 0.000 0.348 389 C C -2.165 172.811 174.990 -0.023 0.000 1.183 389 C CA -1.506 57.495 59.018 -0.029 0.000 2.023 389 C CB 0.827 28.553 27.740 -0.023 0.000 2.361 389 C HN 0.705 nan 8.230 nan 0.000 0.521 390 P HA 0.270 nan 4.420 nan 0.000 0.265 390 P C 0.626 177.921 177.300 -0.008 0.000 1.222 390 P CA 1.562 64.656 63.100 -0.011 0.000 0.767 390 P CB 0.025 31.723 31.700 -0.003 0.000 0.801 391 G N 2.236 111.031 108.800 -0.009 0.000 2.175 391 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.182 391 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.182 391 G C -0.283 174.612 174.900 -0.009 0.000 1.003 391 G CA -0.599 44.497 45.100 -0.006 0.000 0.666 391 G HN 0.441 nan 8.290 nan 0.000 0.506 392 D N 0.719 121.111 120.400 -0.013 0.000 2.343 392 D HA 0.384 5.024 4.640 -0.000 0.000 0.255 392 D C 1.829 178.122 176.300 -0.012 0.000 1.187 392 D CA -0.525 53.466 54.000 -0.015 0.000 0.875 392 D CB 0.766 41.553 40.800 -0.021 0.000 1.136 392 D HN 0.368 nan 8.370 nan 0.000 0.469 393 R N 0.840 121.334 120.500 -0.010 0.000 2.313 393 R HA 0.051 4.391 4.340 -0.000 0.000 0.199 393 R C -0.202 176.094 176.300 -0.006 0.000 0.958 393 R CA -0.196 55.900 56.100 -0.007 0.000 1.047 393 R CB -0.258 30.038 30.300 -0.007 0.000 0.955 393 R HN 0.152 nan 8.270 nan 0.000 0.481 394 S N -0.908 114.786 115.700 -0.009 0.000 2.605 394 S HA 0.530 5.000 4.470 -0.000 0.000 0.279 394 S C -0.161 174.431 174.600 -0.012 0.000 1.166 394 S CA -0.058 58.137 58.200 -0.008 0.000 0.975 394 S CB 1.402 64.596 63.200 -0.010 0.000 1.111 394 S HN 0.245 nan 8.310 nan 0.000 0.465 395 A N 3.943 126.759 122.820 -0.007 0.000 2.209 395 A HA 0.165 4.485 4.320 -0.000 0.000 0.212 395 A C 1.594 179.167 177.584 -0.018 0.000 1.158 395 A CA 0.667 52.695 52.037 -0.015 0.000 0.742 395 A CB -0.368 18.630 19.000 -0.005 0.000 0.790 395 A HN 0.805 nan 8.150 nan 0.000 0.472 396 L N -1.129 120.086 121.223 -0.013 0.000 2.270 396 L HA 0.194 4.534 4.340 -0.000 0.000 0.210 396 L C 1.464 178.316 176.870 -0.030 0.000 1.104 396 L CA 1.135 55.966 54.840 -0.016 0.000 0.804 396 L CB -0.010 42.044 42.059 -0.010 0.000 0.937 396 L HN 0.344 nan 8.230 nan 0.000 0.450 397 R N 0.787 121.267 120.500 -0.033 0.000 2.651 397 R HA 0.284 4.624 4.340 -0.000 0.000 0.282 397 R C -2.518 173.755 176.300 -0.046 0.000 1.565 397 R CA -1.850 54.222 56.100 -0.046 0.000 1.661 397 R CB 0.520 30.793 30.300 -0.044 0.000 1.189 397 R HN 0.023 nan 8.270 nan 0.000 0.621 398 P HA 0.041 nan 4.420 nan 0.000 0.267 398 P C -0.075 177.199 177.300 -0.044 0.000 1.205 398 P CA 0.208 63.282 63.100 -0.044 0.000 0.765 398 P CB 1.775 33.447 31.700 -0.047 0.000 0.828 399 S N 1.625 117.304 115.700 -0.035 0.000 2.436 399 S HA 0.073 4.543 4.470 -0.000 0.000 0.228 399 S C 1.284 175.873 174.600 -0.018 0.000 1.014 399 S CA 0.834 59.017 58.200 -0.028 0.000 0.950 399 S CB -0.111 63.077 63.200 -0.020 0.000 0.784 399 S HN 0.738 nan 8.310 nan 0.000 0.504 400 G N 0.210 108.997 108.800 -0.022 0.000 2.613 400 G HA2 0.712 4.672 3.960 -0.000 0.000 0.303 400 G HA3 0.712 4.672 3.960 -0.000 0.000 0.303 400 G C -1.258 173.630 174.900 -0.019 0.000 1.312 400 G CA -0.664 44.427 45.100 -0.015 0.000 1.036 400 G HN 0.262 nan 8.290 nan 0.000 0.513 401 L N -0.049 121.164 121.223 -0.017 0.000 2.436 401 L HA 0.475 4.815 4.340 -0.000 0.000 0.268 401 L C -0.070 176.780 176.870 -0.033 0.000 0.974 401 L CA -0.756 54.071 54.840 -0.020 0.000 0.826 401 L CB 2.587 44.640 42.059 -0.010 0.000 1.291 401 L HN 0.494 nan 8.230 nan 0.000 0.406 402 R N 4.134 124.613 120.500 -0.034 0.000 2.221 402 R HA 0.656 4.996 4.340 -0.000 0.000 0.327 402 R C -1.565 174.715 176.300 -0.034 0.000 1.033 402 R CA -0.430 55.641 56.100 -0.049 0.000 0.887 402 R CB 0.637 30.906 30.300 -0.051 0.000 1.057 402 R HN 0.570 nan 8.270 nan 0.000 0.455 403 L N 3.927 125.119 121.223 -0.052 0.000 2.333 403 L HA 0.599 4.939 4.340 -0.000 0.000 0.280 403 L C 0.321 177.158 176.870 -0.055 0.000 1.004 403 L CA -0.918 53.907 54.840 -0.026 0.000 0.820 403 L CB 2.161 44.207 42.059 -0.022 0.000 1.247 403 L HN 0.766 nan 8.230 nan 0.000 0.416 404 G N -0.376 108.421 108.800 -0.004 0.000 2.481 404 G HA2 0.495 4.455 3.960 -0.000 0.000 0.315 404 G HA3 0.495 4.455 3.960 -0.000 0.000 0.315 404 G C 0.414 175.344 174.900 0.051 0.000 1.231 404 G CA -0.064 45.027 45.100 -0.016 0.000 0.968 404 G HN 0.608 nan 8.290 nan 0.000 0.482 405 T N -1.879 112.669 114.554 -0.010 0.000 3.022 405 T HA 0.250 4.600 4.350 -0.000 0.000 0.250 405 T C -0.210 174.549 174.700 0.099 0.000 1.060 405 T CA 0.299 62.384 62.100 -0.026 0.000 1.013 405 T CB 0.311 68.888 68.868 -0.486 0.000 0.982 405 T HN 0.303 nan 8.240 nan 0.000 0.508 406 P HA -0.084 nan 4.420 nan 0.000 0.215 406 P C 1.720 179.165 177.300 0.242 0.000 1.153 406 P CA 1.650 64.838 63.100 0.146 0.000 0.853 406 P CB -0.205 31.565 31.700 0.118 0.000 0.788 407 A N 0.460 123.381 122.820 0.168 0.000 1.845 407 A HA -0.148 4.172 4.320 -0.000 0.000 0.215 407 A C 2.528 180.307 177.584 0.325 0.000 1.195 407 A CA 1.637 53.757 52.037 0.137 0.000 0.616 407 A CB -1.635 17.356 19.000 -0.016 0.000 0.832 407 A HN 0.130 nan 8.150 nan 0.000 0.443 408 L N -0.692 120.696 121.223 0.276 0.000 2.093 408 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 408 L C 2.741 179.718 176.870 0.178 0.000 1.085 408 L CA 1.626 56.562 54.840 0.159 0.000 0.755 408 L CB -0.765 41.297 42.059 0.006 0.000 0.904 408 L HN 0.374 nan 8.230 nan 0.000 0.435 409 T N -1.173 113.584 114.554 0.338 0.000 2.788 409 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 409 T C 2.084 177.001 174.700 0.362 0.000 1.044 409 T CA 1.581 63.877 62.100 0.327 0.000 1.139 409 T CB -0.098 68.896 68.868 0.210 0.000 0.867 409 T HN 0.253 nan 8.240 nan 0.000 0.454 410 S N 0.857 116.803 115.700 0.409 0.000 2.442 410 S HA -0.010 4.460 4.470 -0.000 0.000 0.236 410 S C 1.951 176.625 174.600 0.123 0.000 1.007 410 S CA 0.705 59.036 58.200 0.218 0.000 0.965 410 S CB -0.124 63.194 63.200 0.197 0.000 0.773 410 S HN 0.472 nan 8.310 nan 0.000 0.504 411 R N 0.017 120.580 120.500 0.105 0.000 2.297 411 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 411 R C 1.562 177.896 176.300 0.057 0.000 0.943 411 R CA 0.642 56.743 56.100 0.003 0.000 1.038 411 R CB 0.122 30.362 30.300 -0.099 0.000 0.957 411 R HN 0.471 nan 8.270 nan 0.000 0.484 412 G N 0.131 108.977 108.800 0.076 0.000 2.211 412 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.201 412 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.201 412 G C 0.125 175.090 174.900 0.109 0.000 0.997 412 G CA -0.696 44.488 45.100 0.141 0.000 0.652 412 G HN 0.030 nan 8.290 nan 0.000 0.500 413 L N 1.074 122.235 121.223 -0.104 0.000 2.543 413 L HA 0.352 4.692 4.340 -0.000 0.000 0.285 413 L C 1.084 178.042 176.870 0.147 0.000 1.236 413 L CA 0.935 55.694 54.840 -0.134 0.000 0.871 413 L CB 0.346 42.172 42.059 -0.388 0.000 1.121 413 L HN 0.218 nan 8.230 nan 0.000 0.501 414 L N 1.563 122.894 121.223 0.179 0.000 2.211 414 L HA 0.290 4.630 4.340 -0.000 0.000 0.259 414 L C 1.184 178.197 176.870 0.237 0.000 1.031 414 L CA -0.814 54.144 54.840 0.196 0.000 0.877 414 L CB 1.002 43.148 42.059 0.145 0.000 1.457 414 L HN 0.428 nan 8.230 nan 0.000 0.466 415 E N 0.548 120.842 120.200 0.157 0.000 2.065 415 E HA -0.248 4.102 4.350 -0.000 0.000 0.201 415 E C 1.764 178.435 176.600 0.118 0.000 1.016 415 E CA 1.821 58.298 56.400 0.127 0.000 0.818 415 E CB -0.097 29.638 29.700 0.058 0.000 0.749 415 E HN 0.396 nan 8.360 nan 0.000 0.453 416 K N 1.015 121.470 120.400 0.090 0.000 2.063 416 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 416 K C 1.417 178.044 176.600 0.046 0.000 1.048 416 K CA 1.637 57.959 56.287 0.057 0.000 0.928 416 K CB -0.555 31.983 32.500 0.064 0.000 0.713 416 K HN 0.212 nan 8.250 nan 0.000 0.442 417 D N 0.550 121.016 120.400 0.109 0.000 2.117 417 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 417 D C 1.963 178.227 176.300 -0.060 0.000 0.987 417 D CA 0.931 55.002 54.000 0.118 0.000 0.829 417 D CB -0.323 40.570 40.800 0.155 0.000 0.961 417 D HN 0.135 nan 8.370 nan 0.000 0.460 418 F N 1.477 121.417 119.950 -0.017 0.000 2.365 418 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 418 F C 2.596 178.301 175.800 -0.160 0.000 1.090 418 F CA 0.907 58.867 58.000 -0.067 0.000 1.408 418 F CB -0.080 38.884 39.000 -0.060 0.000 1.060 418 F HN -0.075 nan 8.300 nan 0.000 0.534 419 Q N -0.302 119.457 119.800 -0.068 0.000 2.123 419 Q HA -0.190 4.150 4.340 -0.000 0.000 0.199 419 Q C 2.213 177.817 176.000 -0.659 0.000 0.966 419 Q CA 1.230 56.857 55.803 -0.293 0.000 0.845 419 Q CB -0.159 28.459 28.738 -0.201 0.000 0.907 419 Q HN 0.317 nan 8.270 nan 0.000 0.439 420 K N 0.409 120.513 120.400 -0.494 0.000 2.097 420 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 420 K C 1.899 178.063 176.600 -0.727 0.000 1.050 420 K CA 0.957 56.847 56.287 -0.662 0.000 0.938 420 K CB 0.104 32.158 32.500 -0.743 0.000 0.718 420 K HN 0.005 nan 8.250 nan 0.000 0.442 421 V N 1.300 120.956 119.914 -0.429 0.000 2.343 421 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 421 V C 2.410 178.448 176.094 -0.093 0.000 1.051 421 V CA 1.947 64.136 62.300 -0.184 0.000 1.036 421 V CB -0.687 31.037 31.823 -0.166 0.000 0.654 421 V HN 0.493 nan 8.190 nan 0.000 0.451 422 A N -0.752 121.967 122.820 -0.168 0.000 1.908 422 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 422 A C 2.082 179.660 177.584 -0.010 0.000 1.181 422 A CA 2.030 53.997 52.037 -0.116 0.000 0.627 422 A CB -0.747 18.146 19.000 -0.177 0.000 0.818 422 A HN 0.663 nan 8.150 nan 0.000 0.445 423 H N -1.284 117.766 119.070 -0.033 0.000 2.321 423 H HA -0.086 4.470 4.556 0.000 0.000 0.300 423 H C 1.934 177.382 175.328 0.200 0.000 1.087 423 H CA 1.359 57.430 56.048 0.038 0.000 1.319 423 H CB -0.755 28.950 29.762 -0.095 0.000 1.379 423 H HN 0.492 nan 8.280 nan 0.000 0.501 424 F N 0.739 120.763 119.950 0.125 0.000 2.126 424 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 424 F C 2.696 178.538 175.800 0.070 0.000 1.096 424 F CA 0.414 58.459 58.000 0.074 0.000 1.255 424 F CB -1.075 37.945 39.000 0.033 0.000 0.997 424 F HN 0.085 nan 8.300 nan 0.000 0.479 425 I N -0.905 119.818 120.570 0.255 0.000 2.179 425 I HA -0.351 3.819 4.170 -0.000 0.000 0.242 425 I C 2.541 178.738 176.117 0.133 0.000 1.088 425 I CA 1.748 63.129 61.300 0.134 0.000 1.357 425 I CB -0.593 37.433 38.000 0.044 0.000 1.051 425 I HN 0.136 nan 8.210 nan 0.000 0.409 426 H N 1.473 120.617 119.070 0.123 0.000 2.352 426 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 426 H C 2.349 177.795 175.328 0.195 0.000 1.097 426 H CA 1.699 57.874 56.048 0.212 0.000 1.311 426 H CB 0.031 29.956 29.762 0.271 0.000 1.377 426 H HN 0.077 nan 8.280 nan 0.000 0.504 427 R N -0.433 120.110 120.500 0.071 0.000 2.105 427 R HA -0.085 4.255 4.340 -0.000 0.000 0.239 427 R C 2.571 178.853 176.300 -0.030 0.000 1.135 427 R CA 1.042 57.148 56.100 0.011 0.000 0.967 427 R CB -0.668 29.709 30.300 0.129 0.000 0.861 427 R HN 0.524 nan 8.270 nan 0.000 0.442 428 G N 1.416 110.223 108.800 0.013 0.000 2.408 428 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 428 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 428 G C 1.415 176.316 174.900 0.001 0.000 1.150 428 G CA 0.238 45.346 45.100 0.014 0.000 0.776 428 G HN 0.088 nan 8.290 nan 0.000 0.542 429 I N 1.072 121.630 120.570 -0.020 0.000 2.315 429 I HA -0.063 4.107 4.170 -0.000 0.000 0.248 429 I C 2.504 178.585 176.117 -0.059 0.000 1.117 429 I CA 0.858 62.158 61.300 0.001 0.000 1.404 429 I CB -1.142 36.922 38.000 0.107 0.000 1.071 429 I HN 0.336 nan 8.210 nan 0.000 0.419 430 E N 0.921 121.018 120.200 -0.172 0.000 2.051 430 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 430 E C 2.408 178.990 176.600 -0.029 0.000 0.991 430 E CA 0.940 57.271 56.400 -0.114 0.000 0.799 430 E CB -0.166 29.458 29.700 -0.128 0.000 0.748 430 E HN 0.384 nan 8.360 nan 0.000 0.449 431 L N 0.909 122.119 121.223 -0.022 0.000 2.079 431 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 431 L C 2.408 179.253 176.870 -0.041 0.000 1.081 431 L CA 1.218 56.051 54.840 -0.012 0.000 0.752 431 L CB -0.270 41.786 42.059 -0.005 0.000 0.896 431 L HN 0.212 nan 8.230 nan 0.000 0.433 432 T N 0.006 114.575 114.554 0.025 0.000 2.708 432 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 432 T C 1.880 176.654 174.700 0.125 0.000 1.037 432 T CA 1.291 63.473 62.100 0.137 0.000 1.146 432 T CB -0.241 68.704 68.868 0.128 0.000 0.865 432 T HN 0.231 nan 8.240 nan 0.000 0.435 433 L N 0.750 122.006 121.223 0.056 0.000 2.042 433 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 433 L C 2.938 179.832 176.870 0.041 0.000 1.076 433 L CA 1.434 56.303 54.840 0.048 0.000 0.749 433 L CB -0.573 41.501 42.059 0.025 0.000 0.893 433 L HN 0.352 nan 8.230 nan 0.000 0.432 434 Q N -0.076 119.735 119.800 0.017 0.000 2.030 434 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 434 Q C 2.315 178.289 176.000 -0.044 0.000 0.986 434 Q CA 1.662 57.484 55.803 0.032 0.000 0.843 434 Q CB -0.164 28.632 28.738 0.097 0.000 0.904 434 Q HN 0.535 nan 8.270 nan 0.000 0.420 435 I N 0.428 120.830 120.570 -0.281 0.000 2.286 435 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 435 I C 2.648 178.692 176.117 -0.121 0.000 1.115 435 I CA 1.133 62.128 61.300 -0.509 0.000 1.392 435 I CB -0.336 37.110 38.000 -0.924 0.000 1.065 435 I HN 0.323 nan 8.210 nan 0.000 0.418 436 Q N 1.007 120.889 119.800 0.137 0.000 2.084 436 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 436 Q C 2.337 178.402 176.000 0.109 0.000 0.978 436 Q CA 2.499 58.442 55.803 0.233 0.000 0.844 436 Q CB 0.024 28.875 28.738 0.189 0.000 0.898 436 Q HN 0.600 nan 8.270 nan 0.000 0.426 437 S N -0.667 115.075 115.700 0.071 0.000 2.436 437 S HA -0.117 4.353 4.470 -0.000 0.000 0.228 437 S C 1.414 176.049 174.600 0.059 0.000 1.014 437 S CA 1.153 59.387 58.200 0.057 0.000 0.950 437 S CB -0.158 63.072 63.200 0.050 0.000 0.784 437 S HN 0.428 nan 8.310 nan 0.000 0.504 438 D N 1.362 121.801 120.400 0.065 0.000 2.219 438 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 438 D C 1.738 178.077 176.300 0.065 0.000 0.970 438 D CA 1.374 55.426 54.000 0.087 0.000 0.851 438 D CB -0.201 40.704 40.800 0.174 0.000 0.943 438 D HN 0.456 nan 8.370 nan 0.000 0.488 439 T N -1.354 113.230 114.554 0.050 0.000 3.069 439 T HA 0.450 4.800 4.350 -0.000 0.000 0.252 439 T C 0.459 175.190 174.700 0.053 0.000 1.053 439 T CA 0.659 62.788 62.100 0.049 0.000 0.964 439 T CB -0.383 68.512 68.868 0.044 0.000 1.005 439 T HN 0.364 nan 8.240 nan 0.000 0.532 440 G N -0.015 108.816 108.800 0.051 0.000 2.662 440 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 440 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 440 G C 0.505 175.431 174.900 0.043 0.000 1.271 440 G CA -0.271 44.854 45.100 0.042 0.000 0.816 440 G HN 0.861 nan 8.290 nan 0.000 0.608 441 V N -2.807 117.126 119.914 0.031 0.000 3.235 441 V HA 0.557 4.677 4.120 -0.000 0.000 0.259 441 V C 2.246 178.352 176.094 0.020 0.000 1.133 441 V CA 2.156 64.470 62.300 0.025 0.000 1.128 441 V CB 0.128 31.961 31.823 0.017 0.000 0.757 441 V HN 2.344 nan 8.190 nan 0.000 0.469 442 A N 0.203 123.036 122.820 0.022 0.000 2.423 442 A HA 0.813 5.133 4.320 -0.000 0.000 0.246 442 A C 1.176 178.774 177.584 0.024 0.000 1.278 442 A CA 0.371 52.419 52.037 0.018 0.000 0.903 442 A CB -0.590 18.419 19.000 0.016 0.000 0.997 442 A HN 0.860 nan 8.150 nan 0.000 0.510 443 A N 0.434 123.275 122.820 0.035 0.000 2.332 443 A HA 0.562 4.882 4.320 -0.000 0.000 0.258 443 A C 0.852 178.462 177.584 0.042 0.000 1.087 443 A CA 0.466 52.532 52.037 0.047 0.000 0.802 443 A CB -0.068 18.976 19.000 0.073 0.000 1.042 443 A HN 0.699 nan 8.150 nan 0.000 0.489 444 T N -0.719 113.864 114.554 0.048 0.000 2.936 444 T HA 0.407 4.757 4.350 -0.000 0.000 0.282 444 T C 0.929 175.666 174.700 0.062 0.000 1.003 444 T CA -0.394 61.729 62.100 0.038 0.000 1.005 444 T CB 0.770 69.657 68.868 0.031 0.000 1.097 444 T HN 0.630 nan 8.240 nan 0.000 0.532 445 L N 0.645 121.886 121.223 0.030 0.000 2.131 445 L HA 0.082 4.422 4.340 -0.000 0.000 0.210 445 L C 2.531 179.462 176.870 0.103 0.000 1.092 445 L CA 1.774 56.637 54.840 0.037 0.000 0.759 445 L CB -0.974 41.074 42.059 -0.018 0.000 0.903 445 L HN 0.897 nan 8.230 nan 0.000 0.435 446 K N -0.226 120.216 120.400 0.071 0.000 2.026 446 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 446 K C 1.860 178.508 176.600 0.081 0.000 1.048 446 K CA 2.023 58.349 56.287 0.066 0.000 0.929 446 K CB -0.145 32.380 32.500 0.043 0.000 0.713 446 K HN 0.515 nan 8.250 nan 0.000 0.439 447 E N -0.303 119.948 120.200 0.084 0.000 2.106 447 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 447 E C 1.868 178.520 176.600 0.087 0.000 0.984 447 E CA 1.072 57.515 56.400 0.072 0.000 0.806 447 E CB -0.222 29.516 29.700 0.064 0.000 0.750 447 E HN 0.310 nan 8.360 nan 0.000 0.458 448 F N 2.354 122.294 119.950 -0.017 0.000 2.095 448 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 448 F C 1.914 177.693 175.800 -0.035 0.000 1.104 448 F CA 1.582 59.561 58.000 -0.035 0.000 1.232 448 F CB 0.093 39.069 39.000 -0.039 0.000 0.987 448 F HN -0.208 nan 8.300 nan 0.000 0.475 449 K N 0.066 120.586 120.400 0.200 0.000 2.097 449 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 449 K C 1.930 178.523 176.600 -0.011 0.000 1.049 449 K CA 1.890 58.236 56.287 0.099 0.000 0.933 449 K CB -0.301 32.266 32.500 0.112 0.000 0.717 449 K HN 0.438 nan 8.250 nan 0.000 0.442 450 E N 0.382 120.577 120.200 -0.008 0.000 2.047 450 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 450 E C 2.115 178.687 176.600 -0.046 0.000 0.987 450 E CA 0.802 57.193 56.400 -0.016 0.000 0.799 450 E CB 0.012 29.714 29.700 0.003 0.000 0.752 450 E HN 0.059 nan 8.360 nan 0.000 0.449 451 R N 0.985 121.426 120.500 -0.097 0.000 2.092 451 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 451 R C 2.165 178.381 176.300 -0.140 0.000 1.119 451 R CA 0.715 56.753 56.100 -0.102 0.000 0.970 451 R CB -0.522 29.676 30.300 -0.170 0.000 0.864 451 R HN 0.160 nan 8.270 nan 0.000 0.440 452 L N -0.156 120.891 121.223 -0.293 0.000 2.017 452 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 452 L C 1.806 178.629 176.870 -0.079 0.000 1.073 452 L CA 2.346 57.023 54.840 -0.270 0.000 0.745 452 L CB -0.811 41.071 42.059 -0.295 0.000 0.894 452 L HN 0.181 nan 8.230 nan 0.000 0.432 453 A N -0.570 122.220 122.820 -0.049 0.000 2.238 453 A HA 0.357 4.677 4.320 -0.000 0.000 0.208 453 A C 1.395 178.982 177.584 0.005 0.000 1.177 453 A CA 0.389 52.420 52.037 -0.010 0.000 0.804 453 A CB -1.468 17.529 19.000 -0.004 0.000 0.823 453 A HN 0.494 nan 8.150 nan 0.000 0.482 454 G N -1.045 107.763 108.800 0.014 0.000 2.683 454 G HA2 0.243 4.203 3.960 -0.000 0.000 0.260 454 G HA3 0.243 4.203 3.960 -0.000 0.000 0.260 454 G C 0.202 175.118 174.900 0.027 0.000 1.238 454 G CA 0.016 45.132 45.100 0.026 0.000 0.934 454 G HN 0.224 nan 8.290 nan 0.000 0.534 455 D N -0.742 119.661 120.400 0.005 0.000 2.183 455 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 455 D C 2.128 178.397 176.300 -0.052 0.000 0.969 455 D CA 0.769 54.758 54.000 -0.017 0.000 0.842 455 D CB 0.130 40.916 40.800 -0.024 0.000 0.957 455 D HN 0.515 nan 8.370 nan 0.000 0.484 456 K N 0.192 120.542 120.400 -0.084 0.000 2.032 456 K HA -0.174 4.146 4.320 -0.000 0.000 0.209 456 K C 1.202 177.572 176.600 -0.383 0.000 1.048 456 K CA 1.221 57.359 56.287 -0.250 0.000 0.927 456 K CB -0.052 32.253 32.500 -0.326 0.000 0.712 456 K HN 0.149 nan 8.250 nan 0.000 0.441 457 Y N 0.610 120.877 120.300 -0.056 0.000 2.493 457 Y HA 0.112 4.662 4.550 -0.000 0.000 0.275 457 Y C 2.055 177.926 175.900 -0.049 0.000 1.183 457 Y CA -0.100 57.965 58.100 -0.059 0.000 1.258 457 Y CB 0.177 38.585 38.460 -0.086 0.000 1.108 457 Y HN 0.242 nan 8.280 nan 0.000 0.521 458 Q N 0.957 120.783 119.800 0.043 0.000 2.061 458 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 458 Q C 2.332 178.339 176.000 0.012 0.000 0.984 458 Q CA 1.932 57.749 55.803 0.023 0.000 0.846 458 Q CB -0.064 28.674 28.738 0.001 0.000 0.902 458 Q HN 0.501 nan 8.270 nan 0.000 0.421 459 A N 0.549 123.364 122.820 -0.007 0.000 1.898 459 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 459 A C 2.273 179.858 177.584 0.002 0.000 1.181 459 A CA 1.489 53.520 52.037 -0.010 0.000 0.620 459 A CB -0.935 18.049 19.000 -0.026 0.000 0.819 459 A HN 0.564 nan 8.150 nan 0.000 0.442 460 A N -0.417 122.414 122.820 0.018 0.000 1.877 460 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 460 A C 2.236 179.840 177.584 0.033 0.000 1.186 460 A CA 1.855 53.916 52.037 0.039 0.000 0.620 460 A CB -0.989 18.071 19.000 0.099 0.000 0.822 460 A HN 0.379 nan 8.150 nan 0.000 0.443 461 V N 0.007 119.947 119.914 0.042 0.000 2.261 461 V HA -0.331 3.789 4.120 -0.000 0.000 0.246 461 V C 2.747 178.840 176.094 -0.002 0.000 1.047 461 V CA 2.368 64.679 62.300 0.020 0.000 1.015 461 V CB -0.865 30.972 31.823 0.024 0.000 0.642 461 V HN 0.771 nan 8.190 nan 0.000 0.446 462 Q N -0.302 119.498 119.800 0.000 0.000 2.096 462 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 462 Q C 2.255 178.243 176.000 -0.019 0.000 0.982 462 Q CA 1.963 57.761 55.803 -0.008 0.000 0.850 462 Q CB -0.263 28.472 28.738 -0.005 0.000 0.901 462 Q HN 0.647 nan 8.270 nan 0.000 0.422 463 A N 0.805 123.615 122.820 -0.017 0.000 1.865 463 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 463 A C 1.978 179.531 177.584 -0.052 0.000 1.191 463 A CA 1.505 53.528 52.037 -0.024 0.000 0.623 463 A CB -0.904 18.088 19.000 -0.013 0.000 0.826 463 A HN 0.478 nan 8.150 nan 0.000 0.444 464 L N -0.079 121.108 121.223 -0.060 0.000 2.046 464 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 464 L C 2.484 179.260 176.870 -0.156 0.000 1.077 464 L CA 2.408 57.176 54.840 -0.120 0.000 0.747 464 L CB -0.704 41.304 42.059 -0.084 0.000 0.896 464 L HN 0.513 nan 8.230 nan 0.000 0.432 465 R N -0.360 120.087 120.500 -0.088 0.000 2.083 465 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 465 R C 2.129 178.387 176.300 -0.070 0.000 1.137 465 R CA 2.025 58.083 56.100 -0.070 0.000 0.951 465 R CB -0.281 30.000 30.300 -0.032 0.000 0.851 465 R HN 0.526 nan 8.270 nan 0.000 0.434 466 E N 0.010 120.177 120.200 -0.055 0.000 2.077 466 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 466 E C 1.945 178.520 176.600 -0.041 0.000 0.989 466 E CA 1.402 57.782 56.400 -0.033 0.000 0.800 466 E CB -0.051 29.637 29.700 -0.019 0.000 0.746 466 E HN 0.487 nan 8.360 nan 0.000 0.452 467 E N 0.406 120.547 120.200 -0.098 0.000 2.150 467 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 467 E C 2.025 178.516 176.600 -0.181 0.000 0.985 467 E CA 0.694 57.021 56.400 -0.123 0.000 0.814 467 E CB 0.275 29.854 29.700 -0.201 0.000 0.752 467 E HN 0.029 nan 8.360 nan 0.000 0.466 468 V N 1.185 120.919 119.914 -0.299 0.000 2.270 468 V HA -0.226 3.893 4.120 -0.000 0.000 0.245 468 V C 2.022 178.167 176.094 0.086 0.000 1.043 468 V CA 1.991 64.180 62.300 -0.185 0.000 1.014 468 V CB -0.426 31.289 31.823 -0.180 0.000 0.645 468 V HN 0.279 nan 8.190 nan 0.000 0.447 469 E N 0.824 121.044 120.200 0.034 0.000 2.118 469 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 469 E C 2.312 178.962 176.600 0.084 0.000 0.992 469 E CA 1.700 58.133 56.400 0.056 0.000 0.804 469 E CB -0.243 29.472 29.700 0.024 0.000 0.741 469 E HN 0.754 nan 8.360 nan 0.000 0.458 470 S N 0.500 116.259 115.700 0.100 0.000 2.428 470 S HA -0.132 4.338 4.470 -0.000 0.000 0.230 470 S C 1.815 176.533 174.600 0.196 0.000 1.014 470 S CA 0.455 58.723 58.200 0.113 0.000 0.957 470 S CB -0.310 62.949 63.200 0.098 0.000 0.784 470 S HN 0.267 nan 8.310 nan 0.000 0.499 471 F N 3.038 123.074 119.950 0.142 0.000 2.187 471 F HA 0.334 4.861 4.527 0.000 0.000 0.295 471 F C 2.460 178.438 175.800 0.296 0.000 1.091 471 F CA 0.405 58.547 58.000 0.236 0.000 1.308 471 F CB -0.990 38.261 39.000 0.419 0.000 1.030 471 F HN 0.255 nan 8.300 nan 0.000 0.487 472 A N -0.538 122.324 122.820 0.071 0.000 1.930 472 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 472 A C 2.313 179.932 177.584 0.060 0.000 1.175 472 A CA 1.735 53.778 52.037 0.010 0.000 0.627 472 A CB -1.244 17.780 19.000 0.041 0.000 0.815 472 A HN 0.378 nan 8.150 nan 0.000 0.443 473 S N -0.030 115.685 115.700 0.024 0.000 2.465 473 S HA -0.056 4.414 4.470 -0.000 0.000 0.241 473 S C 1.478 176.031 174.600 -0.078 0.000 1.000 473 S CA 1.016 59.208 58.200 -0.012 0.000 0.964 473 S CB -0.420 62.779 63.200 -0.002 0.000 0.763 473 S HN 0.539 nan 8.310 nan 0.000 0.512 474 L N -0.296 120.822 121.223 -0.175 0.000 2.478 474 L HA 0.127 4.467 4.340 -0.000 0.000 0.223 474 L C -0.184 176.311 176.870 -0.624 0.000 1.140 474 L CA 0.412 54.999 54.840 -0.422 0.000 0.842 474 L CB -0.177 41.514 42.059 -0.613 0.000 0.953 474 L HN 0.216 nan 8.230 nan 0.000 0.452 475 F N -0.106 119.732 119.950 -0.187 0.000 2.507 475 F HA 0.462 4.989 4.527 -0.000 0.000 0.327 475 F C -1.827 173.883 175.800 -0.150 0.000 1.068 475 F CA -2.866 55.033 58.000 -0.168 0.000 0.965 475 F CB 0.321 39.195 39.000 -0.210 0.000 1.192 475 F HN -0.266 nan 8.300 nan 0.000 0.476 476 P HA 0.170 nan 4.420 nan 0.000 0.272 476 P C -1.155 176.074 177.300 -0.119 0.000 1.223 476 P CA -0.250 62.827 63.100 -0.038 0.000 0.784 476 P CB 1.607 33.292 31.700 -0.025 0.000 0.923 477 L N 4.428 125.545 121.223 -0.175 0.000 2.337 477 L HA 0.445 4.785 4.340 -0.000 0.000 0.269 477 L C -2.459 174.249 176.870 -0.270 0.000 1.018 477 L CA -2.211 52.429 54.840 -0.332 0.000 0.876 477 L CB 0.702 42.589 42.059 -0.287 0.000 1.236 477 L HN 0.181 nan 8.230 nan 0.000 0.436 478 P HA 0.457 nan 4.420 nan 0.000 0.264 478 P C 0.335 177.596 177.300 -0.065 0.000 1.183 478 P CA 0.477 63.507 63.100 -0.118 0.000 0.763 478 P CB 0.902 32.572 31.700 -0.049 0.000 0.807 479 G N 1.435 110.221 108.800 -0.025 0.000 1.930 479 G HA2 0.092 4.052 3.960 -0.000 0.000 0.054 479 G HA3 0.092 4.052 3.960 -0.000 0.000 0.054 479 G C -1.008 173.887 174.900 -0.008 0.000 0.902 479 G CA -0.449 44.653 45.100 0.002 0.000 1.168 479 G HN 0.578 nan 8.290 nan 0.000 0.383 480 L N 0.000 121.214 121.223 -0.014 0.000 2.949 480 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 480 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 480 L CB 0.000 42.047 42.059 -0.019 0.000 0.961 480 L HN 0.000 nan 8.230 nan 0.000 0.502