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 3jv2_1_A DATA FIRST_RESID 15 DATA SEQUENCE TLNRYEKIAN DIDAIRGDYE NLSDDALKHK TIEFKERLEK GATTDDLLVE DATA SEQUENCE AFAVVREASR RVTGMFPFKV QLMGGVALHD GNIAEMKTGE GKTLTSTLPV DATA SEQUENCE YLNALTGKGV HVVTVNEYLA SRDAEQMGKI FEFLGLTVGL NLNSMSKDEK DATA SEQUENCE REAYAADITY STNNELGFDY LRDNMVLYKE QMVQRPLHFA VIDEVDSILI DATA SEQUENCE DEARTPLIIS GQAAKSTKLY VQANAFVRTL KAEKDYTYDI KTKAVQLTEE DATA SEQUENCE GMTKAEKAFG IDNLFDVKHV ALNHHINQAL KAHVAMQKDV DYVVEDGQVV DATA SEQUENCE IVDSFTGRLM KGRRYSEGLH QAIEAKEGLE IQNESMTLAT ITFQNYFRMY DATA SEQUENCE EKLAGMTGTA KTEEEEFRNI YNMQVVTIPT NRPVVRDDRP DLIYRTMEGK DATA SEQUENCE FKAVAEDVAQ RYMTGQPVLV GTVAVETSEL ISKLLKNKGI PHQVLNAKNH DATA SEQUENCE EREAQIIEEA GQKGAVTIAT NMAGRGTDIK LGEGVKELGG LAVVGTERHE DATA SEQUENCE SRRIDNQLRG RSGRQGDPGI TQFYLSMEDE LMRRFGAERT MAMLDRFGMD DATA SEQUENCE DSTPIQSKMV SRAVESSQKR VEGNNFDSRK QLLQYDDVLR QQREVIYKQR DATA SEQUENCE FEVIDSENLR EIVENMIKSS LERAIAAYTP XXXXXXXWKL DGLVDLINTT DATA SEQUENCE YLDEGALEKS DIFGKEPDEM LELIMDRIIT KYNEKEEQFG KEQMREFEKV DATA SEQUENCE IVLRAVDSKW MDHIDAMDQL RQGIHLRAYA QTNPLREYQM EGFAMFEHMI DATA SEQUENCE ESIEDEVAKF VMKAE 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.706 174.700 0.010 0.000 1.109 15 T CA 0.000 62.104 62.100 0.007 0.000 1.349 15 T CB 0.000 68.873 68.868 0.008 0.000 0.612 16 L N 4.357 125.585 121.223 0.009 0.000 2.371 16 L HA 0.463 4.798 4.340 -0.009 0.000 0.272 16 L C 0.692 177.567 176.870 0.009 0.000 1.124 16 L CA -0.727 54.121 54.840 0.014 0.000 0.816 16 L CB 0.479 42.547 42.059 0.015 0.000 1.129 16 L HN 0.479 nan 8.230 nan 0.000 0.448 17 N N 3.034 121.747 118.700 0.022 0.000 2.447 17 N HA 0.159 4.893 4.740 -0.009 0.000 0.271 17 N C 0.795 176.282 175.510 -0.037 0.000 1.226 17 N CA -0.815 52.240 53.050 0.009 0.000 0.980 17 N CB 1.128 39.652 38.487 0.062 0.000 1.206 17 N HN 0.595 nan 8.380 nan 0.000 0.558 18 R N -0.009 120.405 120.500 -0.143 0.000 2.113 18 R HA -0.238 4.097 4.340 -0.009 0.000 0.244 18 R C 1.352 177.487 176.300 -0.275 0.000 1.142 18 R CA 1.967 57.898 56.100 -0.281 0.000 0.953 18 R CB -0.568 29.443 30.300 -0.482 0.000 0.860 18 R HN 0.714 nan 8.270 nan 0.000 0.438 19 Y N 0.453 120.747 120.300 -0.009 0.000 2.263 19 Y HA -0.062 4.483 4.550 -0.009 0.000 0.292 19 Y C 2.362 178.262 175.900 -0.000 0.000 1.130 19 Y CA 1.360 59.457 58.100 -0.005 0.000 1.179 19 Y CB -0.165 38.297 38.460 0.003 0.000 0.998 19 Y HN 0.215 nan 8.280 nan 0.000 0.532 20 E N 0.692 120.975 120.200 0.139 0.000 2.051 20 E HA -0.198 4.147 4.350 -0.009 0.000 0.192 20 E C 1.985 178.610 176.600 0.043 0.000 0.991 20 E CA 1.246 57.695 56.400 0.082 0.000 0.799 20 E CB -0.145 29.594 29.700 0.064 0.000 0.748 20 E HN 0.450 nan 8.360 nan 0.000 0.449 21 K N 0.696 121.104 120.400 0.012 0.000 2.001 21 K HA -0.174 4.141 4.320 -0.009 0.000 0.214 21 K C 2.182 178.778 176.600 -0.007 0.000 1.050 21 K CA 1.453 57.736 56.287 -0.007 0.000 0.934 21 K CB -0.240 32.239 32.500 -0.034 0.000 0.718 21 K HN 0.123 nan 8.250 nan 0.000 0.443 22 I N 0.858 121.414 120.570 -0.023 0.000 2.286 22 I HA -0.284 3.880 4.170 -0.009 0.000 0.248 22 I C 2.506 178.624 176.117 0.002 0.000 1.115 22 I CA 0.942 62.221 61.300 -0.035 0.000 1.392 22 I CB -0.489 37.466 38.000 -0.076 0.000 1.065 22 I HN 0.218 nan 8.210 nan 0.000 0.418 23 A N 1.299 124.143 122.820 0.040 0.000 1.892 23 A HA -0.290 4.025 4.320 -0.009 0.000 0.218 23 A C 2.046 179.657 177.584 0.045 0.000 1.188 23 A CA 2.479 54.550 52.037 0.058 0.000 0.631 23 A CB -1.144 17.899 19.000 0.071 0.000 0.822 23 A HN 0.520 nan 8.150 nan 0.000 0.447 24 N N -0.410 118.313 118.700 0.038 0.000 2.084 24 N HA -0.159 4.576 4.740 -0.009 0.000 0.190 24 N C 1.250 176.784 175.510 0.039 0.000 1.030 24 N CA 1.124 54.198 53.050 0.039 0.000 0.849 24 N CB -0.265 38.241 38.487 0.033 0.000 1.012 24 N HN 0.406 nan 8.380 nan 0.000 0.423 25 D N 1.201 121.617 120.400 0.026 0.000 2.126 25 D HA -0.176 4.459 4.640 -0.009 0.000 0.190 25 D C 1.862 178.189 176.300 0.046 0.000 1.001 25 D CA 1.085 55.100 54.000 0.026 0.000 0.841 25 D CB -0.352 40.447 40.800 -0.001 0.000 0.949 25 D HN 0.333 nan 8.370 nan 0.000 0.446 26 I N 0.216 120.811 120.570 0.041 0.000 2.493 26 I HA -0.198 3.967 4.170 -0.009 0.000 0.254 26 I C 1.861 178.020 176.117 0.071 0.000 1.160 26 I CA 0.915 62.249 61.300 0.056 0.000 1.445 26 I CB -0.131 37.907 38.000 0.063 0.000 1.086 26 I HN -0.112 nan 8.210 nan 0.000 0.433 27 D N 0.891 121.331 120.400 0.067 0.000 2.234 27 D HA -0.039 4.596 4.640 -0.009 0.000 0.205 27 D C 2.162 178.526 176.300 0.107 0.000 0.962 27 D CA 1.045 55.098 54.000 0.088 0.000 0.855 27 D CB 0.223 41.069 40.800 0.076 0.000 0.951 27 D HN 0.263 nan 8.370 nan 0.000 0.500 28 A N 0.630 123.505 122.820 0.092 0.000 1.897 28 A HA -0.007 4.307 4.320 -0.009 0.000 0.215 28 A C 1.976 179.628 177.584 0.113 0.000 1.181 28 A CA 1.049 53.140 52.037 0.089 0.000 0.620 28 A CB -0.726 18.315 19.000 0.068 0.000 0.821 28 A HN 0.463 nan 8.150 nan 0.000 0.443 29 I N -1.706 118.951 120.570 0.146 0.000 3.838 29 I HA 0.212 4.376 4.170 -0.009 0.000 0.320 29 I C 1.461 177.761 176.117 0.306 0.000 1.429 29 I CA 0.107 61.531 61.300 0.207 0.000 1.223 29 I CB -0.078 38.075 38.000 0.254 0.000 1.147 29 I HN 0.348 nan 8.210 nan 0.000 0.410 30 R N 0.570 121.214 120.500 0.241 0.000 2.153 30 R HA 0.149 4.484 4.340 -0.009 0.000 0.218 30 R C 1.899 178.352 176.300 0.254 0.000 1.072 30 R CA 1.070 57.341 56.100 0.285 0.000 0.990 30 R CB -0.820 29.640 30.300 0.266 0.000 0.889 30 R HN 0.353 nan 8.270 nan 0.000 0.452 31 G N 1.299 110.197 108.800 0.163 0.000 2.448 31 G HA2 -0.225 3.729 3.960 -0.009 0.000 0.219 31 G HA3 -0.225 3.729 3.960 -0.009 0.000 0.219 31 G C 0.659 175.599 174.900 0.066 0.000 1.127 31 G CA 0.827 45.984 45.100 0.095 0.000 0.766 31 G HN 0.294 nan 8.290 nan 0.000 0.552 32 D N -0.476 119.960 120.400 0.060 0.000 2.264 32 D HA -0.040 4.594 4.640 -0.009 0.000 0.208 32 D C 1.385 177.463 176.300 -0.370 0.000 0.966 32 D CA 0.849 54.739 54.000 -0.183 0.000 0.864 32 D CB -0.052 40.562 40.800 -0.310 0.000 0.933 32 D HN 0.551 nan 8.370 nan 0.000 0.499 33 Y N -0.232 120.110 120.300 0.071 0.000 2.467 33 Y HA 0.222 4.767 4.550 -0.009 0.000 0.259 33 Y C 2.065 177.997 175.900 0.052 0.000 1.084 33 Y CA -0.441 57.703 58.100 0.073 0.000 1.275 33 Y CB 0.020 38.541 38.460 0.101 0.000 1.208 33 Y HN -0.141 nan 8.280 nan 0.000 0.511 34 E N 1.516 121.826 120.200 0.184 0.000 2.086 34 E HA -0.244 4.101 4.350 -0.009 0.000 0.200 34 E C 0.071 176.697 176.600 0.043 0.000 1.012 34 E CA 1.638 58.087 56.400 0.080 0.000 0.812 34 E CB -0.218 29.509 29.700 0.046 0.000 0.743 34 E HN 0.513 nan 8.360 nan 0.000 0.453 35 N N -0.097 118.623 118.700 0.033 0.000 2.671 35 N HA 0.169 4.904 4.740 -0.009 0.000 0.303 35 N C -1.581 173.937 175.510 0.014 0.000 1.351 35 N CA -0.385 52.673 53.050 0.013 0.000 0.991 35 N CB 0.670 39.157 38.487 -0.000 0.000 1.307 35 N HN -0.052 nan 8.380 nan 0.000 0.512 36 L N 0.522 121.767 121.223 0.037 0.000 2.346 36 L HA 0.449 4.783 4.340 -0.009 0.000 0.274 36 L C 0.753 177.655 176.870 0.054 0.000 1.007 36 L CA -0.920 53.942 54.840 0.038 0.000 0.818 36 L CB 1.543 43.635 42.059 0.056 0.000 1.284 36 L HN 0.177 nan 8.230 nan 0.000 0.424 37 S N 0.470 116.194 115.700 0.039 0.000 2.592 37 S HA 0.029 4.494 4.470 -0.009 0.000 0.256 37 S C 0.671 175.321 174.600 0.083 0.000 1.369 37 S CA -0.121 58.108 58.200 0.048 0.000 0.984 37 S CB 0.405 63.619 63.200 0.024 0.000 0.919 37 S HN 0.620 nan 8.310 nan 0.000 0.576 38 D N 0.986 121.448 120.400 0.103 0.000 2.144 38 D HA -0.047 4.587 4.640 -0.009 0.000 0.200 38 D C 1.446 177.743 176.300 -0.004 0.000 0.978 38 D CA 1.647 55.733 54.000 0.143 0.000 0.833 38 D CB -0.693 40.224 40.800 0.195 0.000 0.961 38 D HN 0.706 nan 8.370 nan 0.000 0.470 39 D N 0.894 121.284 120.400 -0.018 0.000 2.117 39 D HA -0.061 4.574 4.640 -0.009 0.000 0.198 39 D C 2.015 178.315 176.300 -0.001 0.000 0.982 39 D CA 1.355 55.331 54.000 -0.039 0.000 0.828 39 D CB -0.297 40.483 40.800 -0.033 0.000 0.967 39 D HN 0.144 nan 8.370 nan 0.000 0.464 40 A N 0.851 123.677 122.820 0.009 0.000 1.972 40 A HA -0.091 4.223 4.320 -0.009 0.000 0.219 40 A C 2.013 179.646 177.584 0.083 0.000 1.169 40 A CA 0.731 52.781 52.037 0.023 0.000 0.635 40 A CB -0.607 18.392 19.000 -0.002 0.000 0.810 40 A HN 0.273 nan 8.150 nan 0.000 0.446 41 L N -0.406 120.870 121.223 0.089 0.000 2.072 41 L HA -0.094 4.241 4.340 -0.009 0.000 0.205 41 L C 2.075 178.999 176.870 0.090 0.000 1.079 41 L CA 2.157 57.080 54.840 0.137 0.000 0.752 41 L CB -0.756 41.427 42.059 0.208 0.000 0.906 41 L HN 0.390 nan 8.230 nan 0.000 0.436 42 K N -0.903 119.494 120.400 -0.006 0.000 2.147 42 K HA -0.260 4.055 4.320 -0.009 0.000 0.205 42 K C 1.965 178.561 176.600 -0.006 0.000 1.049 42 K CA 1.564 57.803 56.287 -0.080 0.000 0.936 42 K CB -0.357 32.000 32.500 -0.239 0.000 0.722 42 K HN 0.433 nan 8.250 nan 0.000 0.446 43 H N 1.481 120.514 119.070 -0.063 0.000 2.421 43 H HA -0.044 4.506 4.556 -0.009 0.000 0.298 43 H C 1.590 176.857 175.328 -0.102 0.000 1.087 43 H CA 1.418 57.428 56.048 -0.063 0.000 1.330 43 H CB 0.235 29.964 29.762 -0.055 0.000 1.388 43 H HN -0.110 nan 8.280 nan 0.000 0.526 44 K N -0.163 120.136 120.400 -0.169 0.000 2.228 44 K HA -0.135 4.179 4.320 -0.009 0.000 0.205 44 K C 1.996 178.208 176.600 -0.646 0.000 1.045 44 K CA 1.541 57.554 56.287 -0.455 0.000 0.931 44 K CB -0.582 31.721 32.500 -0.329 0.000 0.727 44 K HN 0.463 nan 8.250 nan 0.000 0.458 45 T N 1.587 116.002 114.554 -0.231 0.000 2.812 45 T HA -0.055 4.290 4.350 -0.009 0.000 0.264 45 T C 1.845 176.483 174.700 -0.103 0.000 1.042 45 T CA 0.767 62.864 62.100 -0.004 0.000 1.140 45 T CB 0.003 68.962 68.868 0.152 0.000 0.870 45 T HN 0.002 nan 8.240 nan 0.000 0.445 46 I N 1.594 122.017 120.570 -0.244 0.000 2.226 46 I HA -0.090 4.074 4.170 -0.009 0.000 0.245 46 I C 2.516 178.480 176.117 -0.255 0.000 1.100 46 I CA 1.174 62.330 61.300 -0.240 0.000 1.374 46 I CB -1.362 36.463 38.000 -0.293 0.000 1.057 46 I HN 0.403 nan 8.210 nan 0.000 0.413 47 E N 0.993 120.914 120.200 -0.465 0.000 2.033 47 E HA -0.260 4.084 4.350 -0.009 0.000 0.199 47 E C 2.344 178.937 176.600 -0.012 0.000 1.011 47 E CA 1.677 57.926 56.400 -0.252 0.000 0.815 47 E CB -0.166 29.349 29.700 -0.309 0.000 0.755 47 E HN 0.249 nan 8.360 nan 0.000 0.451 48 F N 1.320 121.258 119.950 -0.021 0.000 2.091 48 F HA -0.166 4.355 4.527 -0.010 0.000 0.299 48 F C 2.335 178.120 175.800 -0.024 0.000 1.103 48 F CA 1.345 59.346 58.000 0.003 0.000 1.228 48 F CB -0.831 38.183 39.000 0.023 0.000 0.984 48 F HN 0.035 nan 8.300 nan 0.000 0.477 49 K N 0.158 120.647 120.400 0.148 0.000 2.009 49 K HA -0.220 4.094 4.320 -0.009 0.000 0.210 49 K C 1.969 178.596 176.600 0.045 0.000 1.049 49 K CA 1.893 58.216 56.287 0.060 0.000 0.929 49 K CB -0.408 32.104 32.500 0.020 0.000 0.714 49 K HN 0.306 nan 8.250 nan 0.000 0.440 50 E N 0.289 120.511 120.200 0.036 0.000 2.130 50 E HA -0.210 4.135 4.350 -0.009 0.000 0.196 50 E C 2.099 178.728 176.600 0.048 0.000 0.998 50 E CA 1.206 57.626 56.400 0.033 0.000 0.806 50 E CB 0.017 29.733 29.700 0.028 0.000 0.738 50 E HN 0.236 nan 8.360 nan 0.000 0.459 51 R N -0.102 120.443 120.500 0.076 0.000 2.090 51 R HA -0.089 4.245 4.340 -0.009 0.000 0.228 51 R C 2.195 178.524 176.300 0.049 0.000 1.110 51 R CA 0.499 56.645 56.100 0.076 0.000 0.973 51 R CB -0.141 30.233 30.300 0.124 0.000 0.869 51 R HN 0.074 nan 8.270 nan 0.000 0.440 52 L N 1.561 122.811 121.223 0.045 0.000 1.976 52 L HA -0.197 4.137 4.340 -0.009 0.000 0.209 52 L C 2.278 179.154 176.870 0.011 0.000 1.071 52 L CA 2.063 56.913 54.840 0.017 0.000 0.746 52 L CB -0.987 41.076 42.059 0.008 0.000 0.890 52 L HN 0.207 nan 8.230 nan 0.000 0.432 53 E N 0.689 120.897 120.200 0.012 0.000 2.331 53 E HA -0.243 4.101 4.350 -0.009 0.000 0.199 53 E C 1.397 178.002 176.600 0.009 0.000 1.008 53 E CA 1.623 58.027 56.400 0.007 0.000 0.843 53 E CB -0.570 29.134 29.700 0.007 0.000 0.761 53 E HN 0.643 nan 8.360 nan 0.000 0.507 54 K N -1.053 119.356 120.400 0.014 0.000 2.455 54 K HA 0.464 4.779 4.320 -0.009 0.000 0.206 54 K C 0.892 177.500 176.600 0.013 0.000 1.027 54 K CA 0.127 56.423 56.287 0.014 0.000 1.113 54 K CB 0.809 33.320 32.500 0.018 0.000 0.850 54 K HN 0.183 nan 8.250 nan 0.000 0.503 55 G N 0.737 109.543 108.800 0.010 0.000 4.077 55 G HA2 -0.080 3.874 3.960 -0.009 0.000 0.199 55 G HA3 -0.080 3.874 3.960 -0.009 0.000 0.199 55 G C -0.082 174.820 174.900 0.002 0.000 1.302 55 G CA -0.317 44.786 45.100 0.006 0.000 0.918 55 G HN 0.460 nan 8.290 nan 0.000 0.369 56 A N 1.886 124.709 122.820 0.006 0.000 2.567 56 A HA 0.524 4.838 4.320 -0.009 0.000 0.240 56 A C 1.096 178.672 177.584 -0.015 0.000 1.053 56 A CA 1.570 53.605 52.037 -0.003 0.000 0.755 56 A CB -0.302 18.700 19.000 0.003 0.000 0.978 56 A HN 1.801 nan 8.150 nan 0.000 0.507 57 T N -0.253 114.288 114.554 -0.022 0.000 2.849 57 T HA 0.293 4.637 4.350 -0.009 0.000 0.284 57 T C 1.270 175.946 174.700 -0.040 0.000 1.004 57 T CA 0.318 62.404 62.100 -0.023 0.000 1.021 57 T CB 1.087 69.944 68.868 -0.018 0.000 1.013 57 T HN 0.732 nan 8.240 nan 0.000 0.527 58 T N -0.189 114.350 114.554 -0.024 0.000 2.833 58 T HA -0.135 4.209 4.350 -0.009 0.000 0.269 58 T C 1.380 176.022 174.700 -0.097 0.000 1.054 58 T CA 1.746 63.823 62.100 -0.040 0.000 1.135 58 T CB -0.866 68.034 68.868 0.055 0.000 0.869 58 T HN 0.645 nan 8.240 nan 0.000 0.466 59 D N 1.012 121.392 120.400 -0.032 0.000 2.144 59 D HA -0.081 4.554 4.640 -0.009 0.000 0.200 59 D C 1.793 178.013 176.300 -0.133 0.000 0.978 59 D CA 1.006 54.964 54.000 -0.071 0.000 0.833 59 D CB -0.319 40.480 40.800 -0.002 0.000 0.961 59 D HN 0.460 nan 8.370 nan 0.000 0.470 60 D N 0.274 120.616 120.400 -0.097 0.000 2.221 60 D HA -0.114 4.521 4.640 -0.009 0.000 0.204 60 D C 1.772 177.993 176.300 -0.131 0.000 0.982 60 D CA 0.520 54.466 54.000 -0.090 0.000 0.857 60 D CB 0.119 40.886 40.800 -0.055 0.000 0.934 60 D HN 0.177 nan 8.370 nan 0.000 0.475 61 L N -0.063 121.042 121.223 -0.197 0.000 2.590 61 L HA 0.140 4.475 4.340 -0.009 0.000 0.227 61 L C 1.949 178.618 176.870 -0.336 0.000 1.099 61 L CA 0.186 54.846 54.840 -0.300 0.000 0.872 61 L CB -0.381 41.416 42.059 -0.435 0.000 1.088 61 L HN -0.041 nan 8.230 nan 0.000 0.479 62 L N -0.796 120.215 121.223 -0.353 0.000 2.021 62 L HA -0.281 4.054 4.340 -0.009 0.000 0.215 62 L C 2.333 178.945 176.870 -0.431 0.000 1.074 62 L CA 1.786 56.322 54.840 -0.507 0.000 0.760 62 L CB -0.275 41.384 42.059 -0.666 0.000 0.889 62 L HN 0.090 nan 8.230 nan 0.000 0.433 63 V N -0.408 119.337 119.914 -0.282 0.000 2.295 63 V HA -0.289 3.826 4.120 -0.009 0.000 0.246 63 V C 2.430 178.506 176.094 -0.029 0.000 1.049 63 V CA 2.270 64.481 62.300 -0.149 0.000 1.024 63 V CB -0.709 31.065 31.823 -0.083 0.000 0.648 63 V HN 0.519 nan 8.190 nan 0.000 0.447 64 E N 0.390 120.584 120.200 -0.011 0.000 2.046 64 E HA -0.123 4.221 4.350 -0.009 0.000 0.190 64 E C 2.361 179.027 176.600 0.110 0.000 0.982 64 E CA 1.179 57.652 56.400 0.122 0.000 0.800 64 E CB -0.396 29.476 29.700 0.286 0.000 0.756 64 E HN 0.554 nan 8.360 nan 0.000 0.449 65 A N 0.865 123.651 122.820 -0.057 0.000 1.940 65 A HA -0.185 4.130 4.320 -0.009 0.000 0.219 65 A C 1.955 179.729 177.584 0.317 0.000 1.176 65 A CA 1.190 53.327 52.037 0.167 0.000 0.631 65 A CB -0.865 18.137 19.000 0.003 0.000 0.814 65 A HN 0.224 nan 8.150 nan 0.000 0.446 66 F N -0.248 119.676 119.950 -0.043 0.000 2.186 66 F HA -0.114 4.408 4.527 -0.008 0.000 0.299 66 F C 2.802 178.522 175.800 -0.134 0.000 1.090 66 F CA 0.543 58.505 58.000 -0.064 0.000 1.307 66 F CB -0.041 38.916 39.000 -0.071 0.000 1.019 66 F HN 0.312 nan 8.300 nan 0.000 0.489 67 A N -0.290 122.524 122.820 -0.009 0.000 1.933 67 A HA -0.132 4.183 4.320 -0.009 0.000 0.218 67 A C 2.249 179.616 177.584 -0.360 0.000 1.175 67 A CA 1.587 53.483 52.037 -0.235 0.000 0.628 67 A CB -1.124 17.630 19.000 -0.411 0.000 0.814 67 A HN 0.172 nan 8.150 nan 0.000 0.444 68 V N -0.359 119.357 119.914 -0.331 0.000 2.255 68 V HA -0.255 3.860 4.120 -0.009 0.000 0.247 68 V C 2.611 178.607 176.094 -0.163 0.000 1.051 68 V CA 2.124 64.314 62.300 -0.183 0.000 1.018 68 V CB -0.760 31.107 31.823 0.074 0.000 0.641 68 V HN 0.382 nan 8.190 nan 0.000 0.445 69 V N -0.154 119.616 119.914 -0.239 0.000 2.255 69 V HA -0.342 3.773 4.120 -0.009 0.000 0.247 69 V C 2.543 178.506 176.094 -0.219 0.000 1.051 69 V CA 2.602 64.721 62.300 -0.302 0.000 1.018 69 V CB -0.821 30.799 31.823 -0.339 0.000 0.641 69 V HN 0.502 nan 8.190 nan 0.000 0.445 70 R N -0.144 120.232 120.500 -0.206 0.000 2.119 70 R HA -0.288 4.047 4.340 -0.009 0.000 0.246 70 R C 2.318 178.631 176.300 0.022 0.000 1.146 70 R CA 2.381 58.360 56.100 -0.202 0.000 0.962 70 R CB -0.237 29.905 30.300 -0.263 0.000 0.863 70 R HN 0.571 nan 8.270 nan 0.000 0.442 71 E N -0.280 119.956 120.200 0.060 0.000 2.107 71 E HA -0.039 4.305 4.350 -0.009 0.000 0.191 71 E C 1.636 178.241 176.600 0.009 0.000 0.982 71 E CA 1.396 57.875 56.400 0.131 0.000 0.809 71 E CB -0.108 29.668 29.700 0.126 0.000 0.756 71 E HN 0.438 nan 8.360 nan 0.000 0.459 72 A N 0.267 123.051 122.820 -0.060 0.000 1.930 72 A HA -0.152 4.163 4.320 -0.009 0.000 0.217 72 A C 2.358 179.773 177.584 -0.281 0.000 1.175 72 A CA 1.964 53.896 52.037 -0.174 0.000 0.627 72 A CB -0.920 18.038 19.000 -0.071 0.000 0.815 72 A HN 0.407 nan 8.150 nan 0.000 0.443 73 S N -0.249 115.332 115.700 -0.198 0.000 2.368 73 S HA -0.207 4.258 4.470 -0.009 0.000 0.224 73 S C 2.105 176.611 174.600 -0.156 0.000 1.029 73 S CA 1.212 59.291 58.200 -0.202 0.000 0.988 73 S CB -0.561 62.523 63.200 -0.192 0.000 0.838 73 S HN 0.557 nan 8.310 nan 0.000 0.462 74 R N 1.255 121.718 120.500 -0.061 0.000 2.117 74 R HA -0.045 4.289 4.340 -0.009 0.000 0.243 74 R C 2.577 178.786 176.300 -0.150 0.000 1.143 74 R CA 1.561 57.624 56.100 -0.062 0.000 0.968 74 R CB -0.217 30.058 30.300 -0.041 0.000 0.863 74 R HN 0.519 nan 8.270 nan 0.000 0.444 75 R N -0.359 120.008 120.500 -0.222 0.000 2.119 75 R HA -0.045 4.289 4.340 -0.009 0.000 0.222 75 R C 2.180 178.288 176.300 -0.320 0.000 1.088 75 R CA 1.366 57.297 56.100 -0.282 0.000 0.984 75 R CB 0.105 30.179 30.300 -0.377 0.000 0.884 75 R HN 0.239 nan 8.270 nan 0.000 0.447 76 V N -2.626 117.069 119.914 -0.365 0.000 3.263 76 V HA 0.075 4.190 4.120 -0.009 0.000 0.248 76 V C 1.825 177.811 176.094 -0.180 0.000 1.145 76 V CA 1.281 63.409 62.300 -0.288 0.000 1.107 76 V CB 0.426 32.053 31.823 -0.326 0.000 0.797 76 V HN 0.282 nan 8.190 nan 0.000 0.467 77 T N -4.087 110.366 114.554 -0.169 0.000 2.964 77 T HA 0.469 4.813 4.350 -0.009 0.000 0.249 77 T C 1.762 176.402 174.700 -0.100 0.000 1.000 77 T CA 1.232 63.257 62.100 -0.125 0.000 0.992 77 T CB 0.678 69.468 68.868 -0.130 0.000 1.087 77 T HN 1.553 nan 8.240 nan 0.000 0.489 78 G N 1.636 110.373 108.800 -0.105 0.000 2.175 78 G HA2 -0.198 3.757 3.960 -0.009 0.000 0.244 78 G HA3 -0.198 3.757 3.960 -0.009 0.000 0.244 78 G C -0.035 174.823 174.900 -0.071 0.000 0.982 78 G CA 0.186 45.235 45.100 -0.084 0.000 0.641 78 G HN 0.586 nan 8.290 nan 0.000 0.527 79 M N 0.004 119.557 119.600 -0.079 0.000 2.264 79 M HA 0.664 5.138 4.480 -0.009 0.000 0.352 79 M C -0.825 175.449 176.300 -0.043 0.000 1.173 79 M CA -0.764 54.482 55.300 -0.090 0.000 1.075 79 M CB 1.515 34.044 32.600 -0.119 0.000 1.621 79 M HN 0.093 nan 8.290 nan 0.000 0.457 80 F N 4.875 124.641 119.950 -0.307 0.000 2.434 80 F HA 0.517 5.039 4.527 -0.010 0.000 0.355 80 F C -2.283 173.258 175.800 -0.432 0.000 1.115 80 F CA -2.812 55.007 58.000 -0.300 0.000 1.010 80 F CB 1.001 39.861 39.000 -0.234 0.000 1.234 80 F HN 0.296 nan 8.300 nan 0.000 0.439 81 P HA -0.071 nan 4.420 nan 0.000 0.259 81 P C -0.454 176.509 177.300 -0.563 0.000 1.163 81 P CA 0.662 63.436 63.100 -0.544 0.000 0.760 81 P CB 0.058 31.503 31.700 -0.425 0.000 0.762 82 F N 2.074 121.923 119.950 -0.168 0.000 2.472 82 F HA 0.071 4.592 4.527 -0.010 0.000 0.312 82 F C 2.011 177.747 175.800 -0.107 0.000 1.256 82 F CA 0.230 58.164 58.000 -0.109 0.000 1.275 82 F CB 0.084 39.052 39.000 -0.053 0.000 1.228 82 F HN 0.244 nan 8.300 nan 0.000 0.567 83 K N 0.359 120.857 120.400 0.163 0.000 2.155 83 K HA -0.072 4.242 4.320 -0.009 0.000 0.203 83 K C 1.878 178.526 176.600 0.080 0.000 1.052 83 K CA 1.182 57.518 56.287 0.081 0.000 0.948 83 K CB -0.412 32.134 32.500 0.076 0.000 0.728 83 K HN 0.528 nan 8.250 nan 0.000 0.448 84 V N -0.855 119.111 119.914 0.087 0.000 2.343 84 V HA -0.295 3.819 4.120 -0.009 0.000 0.247 84 V C 1.865 177.990 176.094 0.051 0.000 1.051 84 V CA 1.465 63.793 62.300 0.047 0.000 1.036 84 V CB -0.824 31.002 31.823 0.006 0.000 0.654 84 V HN 0.234 nan 8.190 nan 0.000 0.451 85 Q N 0.200 120.048 119.800 0.080 0.000 2.181 85 Q HA -0.066 4.268 4.340 -0.009 0.000 0.205 85 Q C 2.282 178.303 176.000 0.034 0.000 0.980 85 Q CA 1.953 57.782 55.803 0.043 0.000 0.862 85 Q CB -0.358 28.399 28.738 0.032 0.000 0.905 85 Q HN 0.659 nan 8.270 nan 0.000 0.429 86 L N -0.416 120.842 121.223 0.057 0.000 2.109 86 L HA -0.160 4.175 4.340 -0.009 0.000 0.207 86 L C 2.357 179.343 176.870 0.193 0.000 1.086 86 L CA 0.912 55.836 54.840 0.140 0.000 0.760 86 L CB -0.312 41.819 42.059 0.119 0.000 0.910 86 L HN 0.312 nan 8.230 nan 0.000 0.437 87 M N -0.448 119.227 119.600 0.125 0.000 2.067 87 M HA -0.117 4.357 4.480 -0.009 0.000 0.260 87 M C 2.419 178.755 176.300 0.060 0.000 1.069 87 M CA 1.993 57.365 55.300 0.120 0.000 1.117 87 M CB -1.080 31.557 32.600 0.062 0.000 1.334 87 M HN 0.331 nan 8.290 nan 0.000 0.407 88 G N 0.181 108.989 108.800 0.014 0.000 2.469 88 G HA2 -0.199 3.756 3.960 -0.009 0.000 0.219 88 G HA3 -0.199 3.756 3.960 -0.009 0.000 0.219 88 G C 1.528 176.472 174.900 0.073 0.000 1.150 88 G CA 1.166 46.260 45.100 -0.011 0.000 0.763 88 G HN 0.577 nan 8.290 nan 0.000 0.561 89 G N 0.397 109.287 108.800 0.151 0.000 2.476 89 G HA2 -0.191 3.763 3.960 -0.009 0.000 0.218 89 G HA3 -0.191 3.763 3.960 -0.009 0.000 0.218 89 G C 1.808 176.978 174.900 0.450 0.000 1.164 89 G CA 1.398 46.668 45.100 0.284 0.000 0.768 89 G HN 0.355 nan 8.290 nan 0.000 0.560 90 V N 1.649 121.796 119.914 0.390 0.000 2.287 90 V HA -0.162 3.952 4.120 -0.009 0.000 0.248 90 V C 3.355 179.619 176.094 0.283 0.000 1.053 90 V CA 2.110 64.575 62.300 0.274 0.000 1.027 90 V CB -1.053 30.914 31.823 0.240 0.000 0.646 90 V HN 0.489 nan 8.190 nan 0.000 0.447 91 A N -0.364 122.585 122.820 0.215 0.000 1.940 91 A HA -0.176 4.139 4.320 -0.009 0.000 0.219 91 A C 2.231 179.873 177.584 0.096 0.000 1.176 91 A CA 1.878 53.988 52.037 0.122 0.000 0.631 91 A CB -0.543 18.384 19.000 -0.122 0.000 0.814 91 A HN 0.525 nan 8.150 nan 0.000 0.446 92 L N -1.868 119.430 121.223 0.124 0.000 2.056 92 L HA -0.181 4.154 4.340 -0.009 0.000 0.207 92 L C 2.635 179.638 176.870 0.222 0.000 1.078 92 L CA 1.730 56.656 54.840 0.143 0.000 0.749 92 L CB -0.691 41.457 42.059 0.148 0.000 0.901 92 L HN 0.635 nan 8.230 nan 0.000 0.433 93 H N 0.381 119.554 119.070 0.172 0.000 2.387 93 H HA -0.190 4.360 4.556 -0.009 0.000 0.299 93 H C 1.500 176.821 175.328 -0.011 0.000 1.099 93 H CA 1.708 57.809 56.048 0.088 0.000 1.315 93 H CB -0.039 29.770 29.762 0.079 0.000 1.380 93 H HN 0.229 nan 8.280 nan 0.000 0.513 94 D N -0.416 119.965 120.400 -0.033 0.000 2.378 94 D HA 0.051 4.686 4.640 -0.009 0.000 0.227 94 D C 1.263 177.502 176.300 -0.102 0.000 1.012 94 D CA 1.041 54.985 54.000 -0.094 0.000 0.905 94 D CB -0.423 40.406 40.800 0.048 0.000 0.895 94 D HN 0.670 nan 8.370 nan 0.000 0.532 95 G N 0.919 109.667 108.800 -0.085 0.000 2.160 95 G HA2 -0.300 3.655 3.960 -0.009 0.000 0.244 95 G HA3 -0.300 3.655 3.960 -0.009 0.000 0.244 95 G C 0.142 175.030 174.900 -0.021 0.000 1.022 95 G CA 0.117 45.192 45.100 -0.042 0.000 0.741 95 G HN 0.400 nan 8.290 nan 0.000 0.508 96 N N -1.327 117.359 118.700 -0.023 0.000 2.813 96 N HA 0.763 5.497 4.740 -0.009 0.000 0.320 96 N C -0.293 175.138 175.510 -0.131 0.000 1.315 96 N CA -1.032 51.981 53.050 -0.062 0.000 0.871 96 N CB 1.207 39.672 38.487 -0.036 0.000 1.241 96 N HN 0.103 nan 8.380 nan 0.000 0.602 97 I N 1.033 121.475 120.570 -0.213 0.000 2.339 97 I HA 0.350 4.515 4.170 -0.009 0.000 0.290 97 I C -0.488 175.485 176.117 -0.241 0.000 0.994 97 I CA -0.495 60.618 61.300 -0.310 0.000 1.191 97 I CB 1.280 38.924 38.000 -0.593 0.000 1.343 97 I HN 0.500 nan 8.210 nan 0.000 0.458 98 A N 6.300 129.003 122.820 -0.196 0.000 2.279 98 A HA 0.255 4.569 4.320 -0.009 0.000 0.306 98 A C 0.085 177.572 177.584 -0.162 0.000 1.300 98 A CA -0.373 51.563 52.037 -0.169 0.000 0.925 98 A CB 0.124 19.051 19.000 -0.122 0.000 1.152 98 A HN 0.752 nan 8.150 nan 0.000 0.544 99 E N 3.562 123.668 120.200 -0.155 0.000 2.052 99 E HA 0.388 4.732 4.350 -0.009 0.000 0.283 99 E C -0.867 175.676 176.600 -0.094 0.000 1.071 99 E CA 0.040 56.369 56.400 -0.120 0.000 0.851 99 E CB 0.274 29.913 29.700 -0.102 0.000 1.066 99 E HN 0.679 nan 8.360 nan 0.000 0.396 100 M N 4.609 124.163 119.600 -0.078 0.000 2.197 100 M HA 0.317 4.792 4.480 -0.009 0.000 0.301 100 M C -0.419 175.855 176.300 -0.044 0.000 0.987 100 M CA -1.128 54.136 55.300 -0.060 0.000 0.921 100 M CB 1.802 34.370 32.600 -0.053 0.000 1.569 100 M HN 0.113 nan 8.290 nan 0.000 0.431 101 K N 1.778 122.155 120.400 -0.038 0.000 2.494 101 K HA 0.083 4.398 4.320 -0.009 0.000 0.273 101 K C 0.000 176.588 176.600 -0.020 0.000 0.970 101 K CA 0.296 56.567 56.287 -0.026 0.000 0.963 101 K CB -0.065 32.420 32.500 -0.025 0.000 0.913 101 K HN 0.643 nan 8.250 nan 0.000 0.502 102 T N 1.102 115.650 114.554 -0.011 0.000 2.891 102 T HA 0.166 4.510 4.350 -0.009 0.000 0.296 102 T C 1.300 175.997 174.700 -0.005 0.000 1.025 102 T CA 1.256 63.353 62.100 -0.004 0.000 1.149 102 T CB 0.000 68.871 68.868 0.005 0.000 1.007 102 T HN 0.724 nan 8.240 nan 0.000 0.528 103 G N 2.891 111.690 108.800 -0.000 0.000 2.175 103 G HA2 -0.224 3.730 3.960 -0.009 0.000 0.244 103 G HA3 -0.224 3.730 3.960 -0.009 0.000 0.244 103 G C 0.747 175.648 174.900 0.002 0.000 0.982 103 G CA -0.014 45.089 45.100 0.004 0.000 0.641 103 G HN 0.652 nan 8.290 nan 0.000 0.527 104 E N 0.447 120.644 120.200 -0.004 0.000 2.481 104 E HA 0.279 4.624 4.350 -0.009 0.000 0.195 104 E C 1.695 178.320 176.600 0.043 0.000 1.047 104 E CA 1.023 57.422 56.400 -0.002 0.000 0.867 104 E CB -0.312 29.375 29.700 -0.021 0.000 0.858 104 E HN 1.700 nan 8.360 nan 0.000 0.513 105 G N 2.320 111.142 108.800 0.036 0.000 2.401 105 G HA2 -0.313 3.642 3.960 -0.009 0.000 0.283 105 G HA3 -0.313 3.642 3.960 -0.009 0.000 0.283 105 G C 0.665 175.573 174.900 0.012 0.000 1.117 105 G CA 0.479 45.602 45.100 0.038 0.000 1.051 105 G HN 0.240 nan 8.290 nan 0.000 0.510 106 K N -0.681 119.718 120.400 -0.002 0.000 2.148 106 K HA -0.068 4.247 4.320 -0.009 0.000 0.204 106 K C 2.662 179.254 176.600 -0.013 0.000 1.050 106 K CA 1.720 57.998 56.287 -0.015 0.000 0.942 106 K CB -0.108 32.376 32.500 -0.026 0.000 0.724 106 K HN 0.485 nan 8.250 nan 0.000 0.446 107 T N 2.080 116.630 114.554 -0.007 0.000 2.708 107 T HA -0.142 4.202 4.350 -0.009 0.000 0.266 107 T C 1.747 176.442 174.700 -0.009 0.000 1.037 107 T CA 0.900 63.002 62.100 0.003 0.000 1.146 107 T CB -0.159 68.705 68.868 -0.007 0.000 0.865 107 T HN 0.158 nan 8.240 nan 0.000 0.435 108 L N 0.644 121.844 121.223 -0.038 0.000 2.093 108 L HA -0.115 4.219 4.340 -0.009 0.000 0.208 108 L C 2.638 179.454 176.870 -0.089 0.000 1.085 108 L CA 1.301 56.092 54.840 -0.081 0.000 0.755 108 L CB -0.742 41.260 42.059 -0.096 0.000 0.904 108 L HN 0.332 nan 8.230 nan 0.000 0.435 109 T N -0.529 113.989 114.554 -0.060 0.000 2.684 109 T HA -0.188 4.157 4.350 -0.009 0.000 0.267 109 T C 1.994 176.658 174.700 -0.059 0.000 1.036 109 T CA 1.724 63.785 62.100 -0.065 0.000 1.148 109 T CB -0.287 68.563 68.868 -0.030 0.000 0.863 109 T HN 0.613 nan 8.240 nan 0.000 0.436 110 S N 0.703 116.392 115.700 -0.018 0.000 2.440 110 S HA -0.140 4.325 4.470 -0.009 0.000 0.238 110 S C 2.090 176.731 174.600 0.069 0.000 1.010 110 S CA 1.595 59.805 58.200 0.017 0.000 0.972 110 S CB -0.979 62.233 63.200 0.020 0.000 0.774 110 S HN 0.421 nan 8.310 nan 0.000 0.501 111 T N 1.633 116.217 114.554 0.049 0.000 2.929 111 T HA 0.128 4.472 4.350 -0.009 0.000 0.271 111 T C 1.464 176.223 174.700 0.098 0.000 1.085 111 T CA 1.181 63.361 62.100 0.133 0.000 1.125 111 T CB -0.567 68.211 68.868 -0.149 0.000 0.874 111 T HN 0.438 nan 8.240 nan 0.000 0.494 112 L N 1.564 122.686 121.223 -0.168 0.000 1.973 112 L HA 0.014 4.348 4.340 -0.009 0.000 0.208 112 L C -0.300 176.452 176.870 -0.197 0.000 1.073 112 L CA 1.182 55.699 54.840 -0.539 0.000 0.746 112 L CB -1.430 39.824 42.059 -1.343 0.000 0.891 112 L HN 0.168 nan 8.230 nan 0.000 0.433 113 P HA -0.088 nan 4.420 nan 0.000 0.219 113 P C 1.891 179.416 177.300 0.375 0.000 1.150 113 P CA 1.143 64.471 63.100 0.380 0.000 0.814 113 P CB 0.072 32.032 31.700 0.433 0.000 0.787 114 V N -0.427 119.655 119.914 0.280 0.000 2.343 114 V HA -0.264 3.851 4.120 -0.009 0.000 0.247 114 V C 2.630 178.820 176.094 0.161 0.000 1.051 114 V CA 1.927 64.340 62.300 0.188 0.000 1.036 114 V CB -1.553 30.317 31.823 0.077 0.000 0.654 114 V HN 0.001 nan 8.190 nan 0.000 0.451 115 Y N 0.554 120.959 120.300 0.174 0.000 2.114 115 Y HA -0.261 4.284 4.550 -0.009 0.000 0.284 115 Y C 2.276 178.270 175.900 0.156 0.000 1.143 115 Y CA 2.000 60.211 58.100 0.185 0.000 1.135 115 Y CB -0.472 38.190 38.460 0.336 0.000 0.980 115 Y HN 0.196 nan 8.280 nan 0.000 0.499 116 L N 1.312 122.648 121.223 0.187 0.000 2.013 116 L HA -0.284 4.050 4.340 -0.009 0.000 0.212 116 L C 1.419 178.294 176.870 0.008 0.000 1.073 116 L CA 2.465 57.330 54.840 0.042 0.000 0.753 116 L CB -1.166 40.997 42.059 0.173 0.000 0.890 116 L HN 0.296 nan 8.230 nan 0.000 0.432 117 N N -0.842 117.942 118.700 0.139 0.000 2.461 117 N HA 0.117 4.851 4.740 -0.009 0.000 0.188 117 N C 1.254 176.864 175.510 0.168 0.000 1.134 117 N CA 0.706 53.858 53.050 0.169 0.000 0.878 117 N CB 0.061 38.679 38.487 0.220 0.000 0.972 117 N HN 0.506 nan 8.380 nan 0.000 0.456 118 A N -0.424 122.416 122.820 0.034 0.000 2.197 118 A HA 0.169 4.484 4.320 -0.009 0.000 0.210 118 A C 1.582 179.116 177.584 -0.082 0.000 1.180 118 A CA 0.017 52.041 52.037 -0.021 0.000 0.846 118 A CB 0.052 18.999 19.000 -0.088 0.000 0.884 118 A HN 0.069 nan 8.150 nan 0.000 0.487 119 L N 0.952 122.092 121.223 -0.138 0.000 2.043 119 L HA -0.161 4.173 4.340 -0.009 0.000 0.212 119 L C 2.746 179.573 176.870 -0.073 0.000 1.075 119 L CA 2.662 57.419 54.840 -0.137 0.000 0.752 119 L CB -1.353 40.612 42.059 -0.156 0.000 0.891 119 L HN 0.610 nan 8.230 nan 0.000 0.432 120 T N -3.458 111.056 114.554 -0.067 0.000 3.163 120 T HA 0.172 4.517 4.350 -0.009 0.000 0.260 120 T C 1.367 176.015 174.700 -0.088 0.000 1.156 120 T CA 0.490 62.547 62.100 -0.071 0.000 1.072 120 T CB -0.559 68.260 68.868 -0.082 0.000 0.937 120 T HN 0.489 nan 8.240 nan 0.000 0.528 121 G N 1.635 110.385 108.800 -0.082 0.000 2.221 121 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.265 121 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.265 121 G C 0.508 175.349 174.900 -0.097 0.000 1.041 121 G CA 0.435 45.496 45.100 -0.065 0.000 0.807 121 G HN 0.574 nan 8.290 nan 0.000 0.502 122 K N -0.296 119.988 120.400 -0.193 0.000 2.353 122 K HA 0.449 4.763 4.320 -0.009 0.000 0.195 122 K C 1.289 177.799 176.600 -0.150 0.000 1.031 122 K CA 0.416 56.529 56.287 -0.290 0.000 1.079 122 K CB 0.674 32.740 32.500 -0.724 0.000 0.857 122 K HN 1.568 nan 8.250 nan 0.000 0.535 123 G N 0.806 109.588 108.800 -0.030 0.000 2.692 123 G HA2 -0.145 3.809 3.960 -0.009 0.000 0.686 123 G HA3 -0.145 3.809 3.960 -0.009 0.000 0.686 123 G C -1.020 173.983 174.900 0.172 0.000 1.243 123 G CA -1.031 44.120 45.100 0.085 0.000 0.782 123 G HN -0.029 nan 8.290 nan 0.000 0.625 124 V N 3.141 123.112 119.914 0.094 0.000 2.668 124 V HA 0.531 4.646 4.120 -0.009 0.000 0.304 124 V C -0.832 175.268 176.094 0.010 0.000 1.071 124 V CA -1.232 61.083 62.300 0.025 0.000 0.894 124 V CB 2.044 33.876 31.823 0.015 0.000 1.008 124 V HN 0.910 nan 8.190 nan 0.000 0.425 125 H N 3.134 122.180 119.070 -0.039 0.000 2.552 125 H HA 0.578 5.129 4.556 -0.009 0.000 0.311 125 H C -0.363 174.797 175.328 -0.281 0.000 1.071 125 H CA -0.651 55.349 56.048 -0.079 0.000 1.307 125 H CB 1.712 31.559 29.762 0.142 0.000 1.416 125 H HN 0.390 nan 8.280 nan 0.000 0.464 126 V N 4.514 124.259 119.914 -0.281 0.000 2.394 126 V HA 0.301 4.415 4.120 -0.009 0.000 0.282 126 V C 0.248 176.203 176.094 -0.232 0.000 1.031 126 V CA -0.768 61.270 62.300 -0.436 0.000 0.881 126 V CB 1.608 32.875 31.823 -0.926 0.000 0.982 126 V HN 0.554 nan 8.190 nan 0.000 0.451 127 V N 4.443 124.277 119.914 -0.132 0.000 2.709 127 V HA 0.936 5.051 4.120 -0.009 0.000 0.308 127 V C -0.184 175.888 176.094 -0.036 0.000 1.062 127 V CA 0.206 62.489 62.300 -0.027 0.000 0.901 127 V CB 2.304 34.152 31.823 0.041 0.000 1.003 127 V HN 1.015 nan 8.190 nan 0.000 0.425 128 T N 2.818 117.376 114.554 0.008 0.000 2.693 128 T HA 0.499 4.843 4.350 -0.009 0.000 0.278 128 T C 0.954 175.639 174.700 -0.025 0.000 0.994 128 T CA 0.060 62.149 62.100 -0.019 0.000 1.033 128 T CB 1.121 69.989 68.868 -0.000 0.000 1.342 128 T HN 1.381 nan 8.240 nan 0.000 0.538 129 V N -1.356 118.531 119.914 -0.045 0.000 3.052 129 V HA 0.275 4.389 4.120 -0.009 0.000 0.254 129 V C 0.587 176.662 176.094 -0.031 0.000 1.100 129 V CA 0.710 62.979 62.300 -0.052 0.000 1.112 129 V CB -1.432 30.353 31.823 -0.064 0.000 0.738 129 V HN 0.954 nan 8.190 nan 0.000 0.469 130 N N -1.139 117.533 118.700 -0.045 0.000 2.708 130 N HA 0.244 4.979 4.740 -0.009 0.000 0.257 130 N C -0.074 175.452 175.510 0.028 0.000 1.373 130 N CA -0.449 52.587 53.050 -0.022 0.000 0.843 130 N CB 1.710 40.062 38.487 -0.224 0.000 1.503 130 N HN 0.051 nan 8.380 nan 0.000 0.504 131 E N -0.319 119.937 120.200 0.093 0.000 2.274 131 E HA -0.184 4.161 4.350 -0.009 0.000 0.194 131 E C 1.008 177.656 176.600 0.081 0.000 0.996 131 E CA 0.881 57.334 56.400 0.089 0.000 0.840 131 E CB -0.181 29.585 29.700 0.110 0.000 0.772 131 E HN 0.555 nan 8.360 nan 0.000 0.491 132 Y N 1.661 121.972 120.300 0.020 0.000 2.114 132 Y HA -0.228 4.318 4.550 -0.006 0.000 0.284 132 Y C 1.918 177.803 175.900 -0.026 0.000 1.143 132 Y CA 1.513 59.620 58.100 0.011 0.000 1.135 132 Y CB -0.312 38.172 38.460 0.041 0.000 0.980 132 Y HN -0.076 nan 8.280 nan 0.000 0.499 133 L N -0.209 120.922 121.223 -0.153 0.000 2.056 133 L HA -0.177 4.158 4.340 -0.009 0.000 0.207 133 L C 2.799 179.552 176.870 -0.195 0.000 1.078 133 L CA 1.119 55.821 54.840 -0.230 0.000 0.749 133 L CB -1.000 41.023 42.059 -0.060 0.000 0.901 133 L HN 0.370 nan 8.230 nan 0.000 0.433 134 A N -0.708 122.058 122.820 -0.090 0.000 1.898 134 A HA -0.221 4.093 4.320 -0.009 0.000 0.216 134 A C 2.554 180.044 177.584 -0.156 0.000 1.181 134 A CA 2.001 54.028 52.037 -0.018 0.000 0.620 134 A CB -0.630 18.409 19.000 0.063 0.000 0.819 134 A HN 0.401 nan 8.150 nan 0.000 0.442 135 S N -0.606 114.995 115.700 -0.164 0.000 2.371 135 S HA -0.180 4.285 4.470 -0.009 0.000 0.224 135 S C 2.223 176.658 174.600 -0.275 0.000 1.029 135 S CA 1.306 59.396 58.200 -0.185 0.000 0.978 135 S CB -0.432 62.703 63.200 -0.109 0.000 0.833 135 S HN 0.591 nan 8.310 nan 0.000 0.466 136 R N 0.648 120.916 120.500 -0.386 0.000 2.080 136 R HA -0.129 4.206 4.340 -0.009 0.000 0.236 136 R C 1.585 177.691 176.300 -0.322 0.000 1.137 136 R CA 2.184 58.050 56.100 -0.389 0.000 0.943 136 R CB -0.644 29.311 30.300 -0.575 0.000 0.846 136 R HN 0.434 nan 8.270 nan 0.000 0.431 137 D N 0.167 120.355 120.400 -0.354 0.000 2.144 137 D HA -0.102 4.532 4.640 -0.009 0.000 0.200 137 D C 1.750 177.645 176.300 -0.675 0.000 0.978 137 D CA 1.323 55.093 54.000 -0.383 0.000 0.833 137 D CB -0.265 40.392 40.800 -0.238 0.000 0.961 137 D HN 0.391 nan 8.370 nan 0.000 0.470 138 A N 1.717 123.982 122.820 -0.925 0.000 1.865 138 A HA -0.241 4.074 4.320 -0.009 0.000 0.217 138 A C 2.133 179.516 177.584 -0.335 0.000 1.191 138 A CA 2.112 53.628 52.037 -0.868 0.000 0.623 138 A CB -0.749 17.943 19.000 -0.513 0.000 0.826 138 A HN 0.441 nan 8.150 nan 0.000 0.444 139 E N -0.426 119.629 120.200 -0.241 0.000 2.150 139 E HA -0.247 4.098 4.350 -0.009 0.000 0.193 139 E C 1.940 178.468 176.600 -0.120 0.000 0.985 139 E CA 1.349 57.669 56.400 -0.132 0.000 0.814 139 E CB -0.368 29.268 29.700 -0.107 0.000 0.752 139 E HN 0.776 nan 8.360 nan 0.000 0.466 140 Q N -0.457 119.247 119.800 -0.160 0.000 2.089 140 Q HA 0.030 4.365 4.340 -0.009 0.000 0.195 140 Q C 2.187 178.104 176.000 -0.138 0.000 0.963 140 Q CA 1.049 56.772 55.803 -0.134 0.000 0.834 140 Q CB 0.082 28.739 28.738 -0.134 0.000 0.906 140 Q HN 0.345 nan 8.270 nan 0.000 0.452 141 M N -0.316 119.193 119.600 -0.151 0.000 2.388 141 M HA 0.050 4.524 4.480 -0.009 0.000 0.265 141 M C 2.142 178.372 176.300 -0.115 0.000 1.088 141 M CA 0.929 56.135 55.300 -0.157 0.000 1.134 141 M CB -1.047 31.541 32.600 -0.021 0.000 1.384 141 M HN 0.278 nan 8.290 nan 0.000 0.447 142 G N 1.394 110.213 108.800 0.032 0.000 2.505 142 G HA2 -0.259 3.696 3.960 -0.009 0.000 0.220 142 G HA3 -0.259 3.696 3.960 -0.009 0.000 0.220 142 G C 1.727 176.689 174.900 0.103 0.000 1.145 142 G CA 0.917 46.120 45.100 0.173 0.000 0.761 142 G HN 0.446 nan 8.290 nan 0.000 0.571 143 K N -0.033 120.370 120.400 0.005 0.000 2.103 143 K HA -0.034 4.280 4.320 -0.009 0.000 0.207 143 K C 2.421 179.023 176.600 0.004 0.000 1.048 143 K CA 1.067 57.360 56.287 0.011 0.000 0.930 143 K CB -0.255 32.225 32.500 -0.033 0.000 0.716 143 K HN 0.385 nan 8.250 nan 0.000 0.444 144 I N 0.234 120.721 120.570 -0.139 0.000 2.163 144 I HA -0.257 3.907 4.170 -0.009 0.000 0.240 144 I C 2.124 178.214 176.117 -0.045 0.000 1.081 144 I CA 1.519 62.694 61.300 -0.209 0.000 1.353 144 I CB -0.368 37.353 38.000 -0.466 0.000 1.054 144 I HN 0.049 nan 8.210 nan 0.000 0.407 145 F N 1.067 121.088 119.950 0.119 0.000 2.134 145 F HA -0.201 4.320 4.527 -0.010 0.000 0.299 145 F C 2.570 178.474 175.800 0.174 0.000 1.097 145 F CA 1.138 59.239 58.000 0.168 0.000 1.264 145 F CB -0.376 38.733 39.000 0.182 0.000 1.001 145 F HN 0.056 nan 8.300 nan 0.000 0.479 146 E N -0.255 120.139 120.200 0.323 0.000 2.150 146 E HA -0.218 4.126 4.350 -0.009 0.000 0.193 146 E C 1.907 178.627 176.600 0.200 0.000 0.985 146 E CA 1.021 57.556 56.400 0.225 0.000 0.814 146 E CB -0.307 29.497 29.700 0.172 0.000 0.752 146 E HN 0.406 nan 8.360 nan 0.000 0.466 147 F N 0.913 120.906 119.950 0.071 0.000 2.134 147 F HA -0.163 4.359 4.527 -0.009 0.000 0.299 147 F C 1.560 177.399 175.800 0.065 0.000 1.097 147 F CA 0.872 58.898 58.000 0.043 0.000 1.264 147 F CB 0.185 39.184 39.000 -0.001 0.000 1.001 147 F HN -0.011 nan 8.300 nan 0.000 0.479 148 L N 0.811 122.182 121.223 0.247 0.000 2.675 148 L HA 0.251 4.586 4.340 -0.009 0.000 0.239 148 L C 1.641 178.620 176.870 0.182 0.000 1.151 148 L CA 0.883 55.841 54.840 0.196 0.000 0.905 148 L CB -1.418 40.793 42.059 0.254 0.000 1.057 148 L HN 0.412 nan 8.230 nan 0.000 0.435 149 G N -0.475 108.394 108.800 0.115 0.000 2.198 149 G HA2 -0.253 3.701 3.960 -0.009 0.000 0.257 149 G HA3 -0.253 3.701 3.960 -0.009 0.000 0.257 149 G C -0.070 174.912 174.900 0.137 0.000 1.042 149 G CA 0.032 45.187 45.100 0.091 0.000 0.791 149 G HN 0.186 nan 8.290 nan 0.000 0.502 150 L N 0.987 122.331 121.223 0.201 0.000 2.334 150 L HA 0.793 5.128 4.340 -0.009 0.000 0.273 150 L C 1.110 178.074 176.870 0.157 0.000 1.013 150 L CA -0.286 54.661 54.840 0.179 0.000 0.816 150 L CB 1.780 43.976 42.059 0.229 0.000 1.278 150 L HN 0.408 nan 8.230 nan 0.000 0.431 151 T N -0.160 114.457 114.554 0.105 0.000 2.909 151 T HA 0.755 5.099 4.350 -0.009 0.000 0.286 151 T C -0.423 174.337 174.700 0.099 0.000 1.002 151 T CA -0.663 61.497 62.100 0.099 0.000 1.074 151 T CB 1.239 70.152 68.868 0.075 0.000 0.984 151 T HN 0.241 nan 8.240 nan 0.000 0.495 152 V N 1.946 121.933 119.914 0.120 0.000 2.525 152 V HA 0.741 4.855 4.120 -0.009 0.000 0.299 152 V C 0.621 176.787 176.094 0.120 0.000 1.034 152 V CA -0.742 61.645 62.300 0.144 0.000 0.863 152 V CB 1.677 33.641 31.823 0.235 0.000 0.999 152 V HN 1.298 nan 8.190 nan 0.000 0.423 153 G N 3.079 111.942 108.800 0.105 0.000 2.441 153 G HA2 0.700 4.654 3.960 -0.009 0.000 0.334 153 G HA3 0.700 4.654 3.960 -0.009 0.000 0.334 153 G C -1.664 173.280 174.900 0.072 0.000 1.161 153 G CA -0.640 44.498 45.100 0.064 0.000 0.935 153 G HN 0.561 nan 8.290 nan 0.000 0.488 154 L N 1.166 122.408 121.223 0.032 0.000 2.372 154 L HA 0.429 4.763 4.340 -0.009 0.000 0.273 154 L C -0.330 176.527 176.870 -0.021 0.000 0.989 154 L CA -0.889 53.968 54.840 0.029 0.000 0.841 154 L CB 1.347 43.420 42.059 0.023 0.000 1.225 154 L HN 0.606 nan 8.230 nan 0.000 0.414 155 N N 5.963 124.622 118.700 -0.068 0.000 2.419 155 N HA 0.548 5.282 4.740 -0.009 0.000 0.264 155 N C -1.432 174.077 175.510 -0.002 0.000 1.031 155 N CA -0.358 52.637 53.050 -0.091 0.000 0.951 155 N CB 0.725 39.057 38.487 -0.259 0.000 1.101 155 N HN 0.616 nan 8.380 nan 0.000 0.488 156 L N 2.290 123.531 121.223 0.030 0.000 2.350 156 L HA 0.299 4.634 4.340 -0.009 0.000 0.260 156 L C 1.310 178.221 176.870 0.069 0.000 1.015 156 L CA -0.870 54.003 54.840 0.055 0.000 0.821 156 L CB 1.566 43.654 42.059 0.047 0.000 1.370 156 L HN 0.500 nan 8.230 nan 0.000 0.416 157 N N 0.380 119.127 118.700 0.078 0.000 2.205 157 N HA -0.200 4.535 4.740 -0.009 0.000 0.186 157 N C 1.461 176.998 175.510 0.045 0.000 1.015 157 N CA 1.760 54.851 53.050 0.069 0.000 0.862 157 N CB 0.207 38.736 38.487 0.071 0.000 0.986 157 N HN 0.674 nan 8.380 nan 0.000 0.429 158 S N -1.318 114.409 115.700 0.044 0.000 2.593 158 S HA 0.193 4.657 4.470 -0.009 0.000 0.217 158 S C 0.581 175.202 174.600 0.035 0.000 0.966 158 S CA -0.370 57.850 58.200 0.034 0.000 0.914 158 S CB -0.255 62.966 63.200 0.034 0.000 0.776 158 S HN 0.196 nan 8.310 nan 0.000 0.523 159 M N 1.939 121.564 119.600 0.043 0.000 2.342 159 M HA 0.388 4.862 4.480 -0.009 0.000 0.332 159 M C 0.573 176.903 176.300 0.049 0.000 1.166 159 M CA -0.409 54.918 55.300 0.045 0.000 1.086 159 M CB 1.778 34.408 32.600 0.050 0.000 1.541 159 M HN 0.242 nan 8.290 nan 0.000 0.462 160 S N 0.721 116.449 115.700 0.047 0.000 2.655 160 S HA 0.206 4.670 4.470 -0.009 0.000 0.265 160 S C 1.020 175.657 174.600 0.062 0.000 1.240 160 S CA -0.318 57.910 58.200 0.047 0.000 0.986 160 S CB 0.939 64.163 63.200 0.040 0.000 0.985 160 S HN 0.656 nan 8.310 nan 0.000 0.562 161 K N 1.377 121.812 120.400 0.058 0.000 1.991 161 K HA -0.065 4.249 4.320 -0.009 0.000 0.212 161 K C 1.617 178.262 176.600 0.076 0.000 1.049 161 K CA 2.275 58.603 56.287 0.068 0.000 0.932 161 K CB -0.765 31.767 32.500 0.054 0.000 0.717 161 K HN 0.615 nan 8.250 nan 0.000 0.441 162 D N 0.386 120.823 120.400 0.062 0.000 2.133 162 D HA -0.160 4.475 4.640 -0.009 0.000 0.195 162 D C 1.789 178.132 176.300 0.071 0.000 0.997 162 D CA 1.182 55.218 54.000 0.061 0.000 0.840 162 D CB -0.117 40.711 40.800 0.047 0.000 0.947 162 D HN 0.385 nan 8.370 nan 0.000 0.452 163 E N 0.379 120.619 120.200 0.068 0.000 2.072 163 E HA -0.112 4.233 4.350 -0.009 0.000 0.191 163 E C 2.049 178.702 176.600 0.088 0.000 0.985 163 E CA 0.765 57.205 56.400 0.067 0.000 0.801 163 E CB 0.075 29.807 29.700 0.054 0.000 0.750 163 E HN 0.217 nan 8.360 nan 0.000 0.452 164 K N 0.519 120.988 120.400 0.115 0.000 2.057 164 K HA -0.154 4.161 4.320 -0.009 0.000 0.207 164 K C 2.242 179.009 176.600 0.277 0.000 1.049 164 K CA 1.013 57.410 56.287 0.185 0.000 0.931 164 K CB -0.096 32.539 32.500 0.225 0.000 0.714 164 K HN -0.047 nan 8.250 nan 0.000 0.440 165 R N 1.318 121.940 120.500 0.204 0.000 2.096 165 R HA -0.188 4.147 4.340 -0.009 0.000 0.235 165 R C 2.195 178.602 176.300 0.179 0.000 1.127 165 R CA 1.742 57.957 56.100 0.191 0.000 0.968 165 R CB 0.007 30.375 30.300 0.113 0.000 0.861 165 R HN 0.260 nan 8.270 nan 0.000 0.440 166 E N -0.263 120.015 120.200 0.129 0.000 2.047 166 E HA -0.181 4.163 4.350 -0.009 0.000 0.191 166 E C 1.790 178.452 176.600 0.103 0.000 0.987 166 E CA 1.134 57.595 56.400 0.102 0.000 0.799 166 E CB -0.123 29.622 29.700 0.074 0.000 0.752 166 E HN 0.436 nan 8.360 nan 0.000 0.449 167 A N 0.209 123.078 122.820 0.082 0.000 1.908 167 A HA -0.197 4.117 4.320 -0.009 0.000 0.218 167 A C 1.897 179.485 177.584 0.007 0.000 1.181 167 A CA 1.508 53.553 52.037 0.012 0.000 0.627 167 A CB -1.010 17.948 19.000 -0.070 0.000 0.818 167 A HN 0.496 nan 8.150 nan 0.000 0.445 168 Y N -0.636 119.711 120.300 0.078 0.000 2.509 168 Y HA 0.075 4.620 4.550 -0.008 0.000 0.293 168 Y C 2.584 178.554 175.900 0.116 0.000 1.133 168 Y CA 0.602 58.767 58.100 0.107 0.000 1.283 168 Y CB -0.011 38.509 38.460 0.101 0.000 1.001 168 Y HN 0.357 nan 8.280 nan 0.000 0.555 169 A N 0.055 123.008 122.820 0.222 0.000 2.169 169 A HA 0.370 4.685 4.320 -0.009 0.000 0.212 169 A C 1.476 179.128 177.584 0.113 0.000 1.153 169 A CA 0.431 52.559 52.037 0.152 0.000 0.756 169 A CB -0.684 18.386 19.000 0.116 0.000 0.813 169 A HN 0.209 nan 8.150 nan 0.000 0.471 170 A N 0.155 123.039 122.820 0.107 0.000 2.406 170 A HA 0.292 4.606 4.320 -0.009 0.000 0.243 170 A C 0.763 178.391 177.584 0.073 0.000 1.082 170 A CA 0.170 52.255 52.037 0.080 0.000 0.786 170 A CB 0.194 19.237 19.000 0.073 0.000 1.029 170 A HN 0.357 nan 8.150 nan 0.000 0.495 171 D N -0.184 120.243 120.400 0.045 0.000 2.182 171 D HA -0.061 4.573 4.640 -0.009 0.000 0.201 171 D C 0.226 176.520 176.300 -0.010 0.000 0.986 171 D CA 1.659 55.668 54.000 0.014 0.000 0.847 171 D CB -0.031 40.766 40.800 -0.004 0.000 0.942 171 D HN 0.494 nan 8.370 nan 0.000 0.467 172 I N -0.207 120.348 120.570 -0.025 0.000 2.569 172 I HA 0.144 4.309 4.170 -0.009 0.000 0.290 172 I C -0.728 175.392 176.117 0.004 0.000 1.088 172 I CA -0.344 60.910 61.300 -0.077 0.000 1.047 172 I CB 2.688 40.520 38.000 -0.279 0.000 1.237 172 I HN -0.384 nan 8.210 nan 0.000 0.421 173 T N 4.409 118.969 114.554 0.010 0.000 2.840 173 T HA 0.477 4.821 4.350 -0.009 0.000 0.287 173 T C -0.897 173.745 174.700 -0.096 0.000 0.991 173 T CA -0.522 61.573 62.100 -0.007 0.000 0.964 173 T CB 0.647 69.478 68.868 -0.062 0.000 0.954 173 T HN 0.148 nan 8.240 nan 0.000 0.438 174 Y N 1.795 122.071 120.300 -0.040 0.000 2.310 174 Y HA 0.605 5.150 4.550 -0.007 0.000 0.326 174 Y C 0.933 176.790 175.900 -0.071 0.000 1.151 174 Y CA 0.259 58.339 58.100 -0.032 0.000 1.195 174 Y CB 1.583 40.034 38.460 -0.015 0.000 1.210 174 Y HN 0.692 nan 8.280 nan 0.000 0.483 175 S N 0.928 116.684 115.700 0.094 0.000 2.615 175 S HA 0.379 4.844 4.470 -0.009 0.000 0.268 175 S C -1.007 173.646 174.600 0.089 0.000 1.146 175 S CA -0.779 57.453 58.200 0.053 0.000 0.818 175 S CB 1.299 64.478 63.200 -0.036 0.000 1.111 175 S HN 0.550 nan 8.310 nan 0.000 0.465 176 T N 2.136 116.749 114.554 0.098 0.000 2.899 176 T HA 0.310 4.655 4.350 -0.009 0.000 0.284 176 T C 1.583 176.375 174.700 0.153 0.000 1.004 176 T CA -0.221 61.944 62.100 0.107 0.000 1.043 176 T CB 0.393 69.331 68.868 0.117 0.000 1.013 176 T HN 0.711 nan 8.240 nan 0.000 0.518 177 N N 3.834 122.623 118.700 0.148 0.000 2.188 177 N HA -0.132 4.603 4.740 -0.009 0.000 0.184 177 N C 1.237 176.950 175.510 0.339 0.000 1.018 177 N CA 1.145 54.355 53.050 0.266 0.000 0.858 177 N CB -0.503 38.024 38.487 0.066 0.000 0.989 177 N HN 0.520 nan 8.380 nan 0.000 0.426 178 N N 1.114 119.987 118.700 0.287 0.000 2.043 178 N HA -0.141 4.593 4.740 -0.009 0.000 0.193 178 N C 1.347 176.984 175.510 0.211 0.000 1.037 178 N CA 1.189 54.407 53.050 0.280 0.000 0.851 178 N CB -0.103 38.591 38.487 0.346 0.000 1.027 178 N HN 0.308 nan 8.380 nan 0.000 0.422 179 E N 1.365 121.724 120.200 0.265 0.000 2.077 179 E HA -0.063 4.281 4.350 -0.009 0.000 0.193 179 E C 2.356 179.072 176.600 0.193 0.000 0.989 179 E CA 0.405 56.969 56.400 0.272 0.000 0.800 179 E CB -0.382 29.439 29.700 0.202 0.000 0.746 179 E HN 0.386 nan 8.360 nan 0.000 0.452 180 L N -0.120 121.178 121.223 0.126 0.000 2.012 180 L HA -0.151 4.184 4.340 -0.009 0.000 0.210 180 L C 2.501 179.195 176.870 -0.293 0.000 1.073 180 L CA 1.496 56.379 54.840 0.071 0.000 0.748 180 L CB -0.858 41.310 42.059 0.182 0.000 0.891 180 L HN 0.199 nan 8.230 nan 0.000 0.431 181 G N -0.502 107.969 108.800 -0.549 0.000 2.421 181 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.216 181 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.216 181 G C 1.469 176.171 174.900 -0.330 0.000 1.171 181 G CA 0.561 45.186 45.100 -0.791 0.000 0.775 181 G HN 0.219 nan 8.290 nan 0.000 0.543 182 F N 1.189 121.091 119.950 -0.079 0.000 2.102 182 F HA -0.070 4.451 4.527 -0.010 0.000 0.298 182 F C 2.643 178.449 175.800 0.010 0.000 1.105 182 F CA 1.071 59.066 58.000 -0.009 0.000 1.239 182 F CB -0.077 38.937 39.000 0.023 0.000 0.991 182 F HN 0.042 nan 8.300 nan 0.000 0.474 183 D N -0.501 120.028 120.400 0.214 0.000 2.116 183 D HA -0.272 4.362 4.640 -0.009 0.000 0.193 183 D C 1.868 178.210 176.300 0.070 0.000 0.998 183 D CA 1.529 55.613 54.000 0.139 0.000 0.836 183 D CB -0.819 40.090 40.800 0.182 0.000 0.951 183 D HN 0.338 nan 8.370 nan 0.000 0.449 184 Y N 1.181 121.461 120.300 -0.033 0.000 2.207 184 Y HA -0.164 4.380 4.550 -0.010 0.000 0.287 184 Y C 2.177 178.084 175.900 0.013 0.000 1.156 184 Y CA 1.301 59.400 58.100 -0.002 0.000 1.182 184 Y CB -0.334 38.182 38.460 0.092 0.000 0.979 184 Y HN -0.049 nan 8.280 nan 0.000 0.521 185 L N -0.309 120.912 121.223 -0.003 0.000 2.044 185 L HA -0.179 4.155 4.340 -0.009 0.000 0.205 185 L C 2.610 179.416 176.870 -0.106 0.000 1.075 185 L CA 1.426 56.248 54.840 -0.030 0.000 0.747 185 L CB -0.508 41.645 42.059 0.157 0.000 0.903 185 L HN 0.127 nan 8.230 nan 0.000 0.435 186 R N -0.044 120.439 120.500 -0.029 0.000 2.096 186 R HA -0.162 4.173 4.340 -0.009 0.000 0.235 186 R C 1.750 177.979 176.300 -0.119 0.000 1.127 186 R CA 1.404 57.479 56.100 -0.042 0.000 0.968 186 R CB -0.425 29.882 30.300 0.011 0.000 0.861 186 R HN 0.307 nan 8.270 nan 0.000 0.440 187 D N 0.381 120.680 120.400 -0.169 0.000 2.221 187 D HA -0.098 4.536 4.640 -0.009 0.000 0.204 187 D C 0.957 177.080 176.300 -0.294 0.000 0.982 187 D CA 0.957 54.837 54.000 -0.201 0.000 0.857 187 D CB -0.174 40.495 40.800 -0.218 0.000 0.934 187 D HN 0.172 nan 8.370 nan 0.000 0.475 188 N N -0.487 117.938 118.700 -0.460 0.000 2.314 188 N HA 0.127 4.861 4.740 -0.009 0.000 0.200 188 N C 0.786 176.037 175.510 -0.431 0.000 1.135 188 N CA 0.102 52.762 53.050 -0.650 0.000 0.835 188 N CB 0.514 38.147 38.487 -1.423 0.000 0.989 188 N HN 0.279 nan 8.380 nan 0.000 0.478 189 M N -0.002 119.456 119.600 -0.238 0.000 2.300 189 M HA 0.085 4.559 4.480 -0.009 0.000 0.313 189 M C 0.531 176.760 176.300 -0.118 0.000 0.988 189 M CA -0.054 55.164 55.300 -0.136 0.000 1.012 189 M CB 1.117 33.677 32.600 -0.066 0.000 1.586 189 M HN -0.163 nan 8.290 nan 0.000 0.562 190 V N -0.142 119.697 119.914 -0.124 0.000 3.287 190 V HA 0.076 4.191 4.120 -0.009 0.000 0.306 190 V C 0.927 176.919 176.094 -0.170 0.000 1.103 190 V CA 0.039 62.275 62.300 -0.107 0.000 1.159 190 V CB 0.607 32.393 31.823 -0.063 0.000 1.036 190 V HN 0.416 nan 8.190 nan 0.000 0.487 191 L N 0.883 121.951 121.223 -0.258 0.000 2.609 191 L HA 0.392 4.727 4.340 -0.009 0.000 0.230 191 L C -0.228 176.205 176.870 -0.728 0.000 1.087 191 L CA 0.183 54.715 54.840 -0.513 0.000 0.874 191 L CB -0.060 41.599 42.059 -0.666 0.000 1.114 191 L HN 0.724 nan 8.230 nan 0.000 0.488 192 Y N -1.232 119.043 120.300 -0.042 0.000 2.442 192 Y HA 0.284 4.828 4.550 -0.010 0.000 0.344 192 Y C 0.947 176.825 175.900 -0.036 0.000 0.976 192 Y CA -1.326 56.748 58.100 -0.044 0.000 1.040 192 Y CB 1.424 39.866 38.460 -0.030 0.000 1.228 192 Y HN -0.224 nan 8.280 nan 0.000 0.451 193 K N 0.914 121.372 120.400 0.097 0.000 2.163 193 K HA -0.315 4.000 4.320 -0.009 0.000 0.210 193 K C 0.694 177.354 176.600 0.099 0.000 1.048 193 K CA 2.518 58.852 56.287 0.078 0.000 0.928 193 K CB 0.133 32.651 32.500 0.029 0.000 0.716 193 K HN 0.822 nan 8.250 nan 0.000 0.459 194 E N 0.206 120.469 120.200 0.104 0.000 2.347 194 E HA -0.105 4.239 4.350 -0.009 0.000 0.196 194 E C 1.585 178.230 176.600 0.074 0.000 1.008 194 E CA 0.740 57.183 56.400 0.072 0.000 0.852 194 E CB 0.153 29.875 29.700 0.037 0.000 0.783 194 E HN 0.400 nan 8.360 nan 0.000 0.505 195 Q N -0.361 119.499 119.800 0.100 0.000 2.472 195 Q HA 0.084 4.418 4.340 -0.009 0.000 0.208 195 Q C 0.154 176.179 176.000 0.041 0.000 0.958 195 Q CA 0.144 55.994 55.803 0.078 0.000 0.932 195 Q CB 0.019 28.816 28.738 0.098 0.000 1.007 195 Q HN 0.328 nan 8.270 nan 0.000 0.508 196 M N 0.484 120.104 119.600 0.033 0.000 2.245 196 M HA -0.049 4.425 4.480 -0.009 0.000 0.344 196 M C 1.228 177.520 176.300 -0.014 0.000 1.170 196 M CA -0.004 55.293 55.300 -0.005 0.000 1.135 196 M CB 0.940 33.541 32.600 0.002 0.000 1.574 196 M HN 0.038 nan 8.290 nan 0.000 0.452 197 V N -0.153 119.723 119.914 -0.064 0.000 3.263 197 V HA 0.137 4.251 4.120 -0.009 0.000 0.248 197 V C 0.598 176.533 176.094 -0.265 0.000 1.145 197 V CA 0.321 62.578 62.300 -0.071 0.000 1.107 197 V CB -0.176 31.653 31.823 0.009 0.000 0.797 197 V HN 0.826 nan 8.190 nan 0.000 0.467 198 Q N 1.183 120.732 119.800 -0.418 0.000 2.230 198 Q HA 0.534 4.869 4.340 -0.009 0.000 0.248 198 Q C -0.579 175.328 176.000 -0.154 0.000 0.915 198 Q CA -0.522 54.963 55.803 -0.530 0.000 0.900 198 Q CB 1.883 30.352 28.738 -0.448 0.000 1.229 198 Q HN 0.500 nan 8.270 nan 0.000 0.439 199 R N 1.016 121.502 120.500 -0.023 0.000 2.541 199 R HA 0.399 4.734 4.340 -0.009 0.000 0.254 199 R C -2.198 174.107 176.300 0.009 0.000 1.130 199 R CA -1.630 54.483 56.100 0.023 0.000 1.152 199 R CB -0.407 29.940 30.300 0.078 0.000 1.222 199 R HN 0.414 nan 8.270 nan 0.000 0.579 200 P HA -0.019 nan 4.420 nan 0.000 0.267 200 P C -0.927 176.346 177.300 -0.044 0.000 1.200 200 P CA -0.156 62.916 63.100 -0.047 0.000 0.772 200 P CB 0.378 32.051 31.700 -0.044 0.000 0.855 201 L N 3.217 124.339 121.223 -0.168 0.000 2.536 201 L HA 0.055 4.390 4.340 -0.009 0.000 0.282 201 L C 1.462 178.258 176.870 -0.123 0.000 1.147 201 L CA 0.619 55.225 54.840 -0.390 0.000 0.936 201 L CB -1.297 40.153 42.059 -1.014 0.000 1.279 201 L HN 0.526 nan 8.230 nan 0.000 0.461 202 H N 3.953 123.006 119.070 -0.029 0.000 2.284 202 H HA 0.162 4.712 4.556 -0.009 0.000 0.314 202 H C -0.533 174.981 175.328 0.309 0.000 1.058 202 H CA 0.933 57.035 56.048 0.090 0.000 1.394 202 H CB 0.424 30.215 29.762 0.049 0.000 1.431 202 H HN 0.298 nan 8.280 nan 0.000 0.537 203 F N 0.584 120.498 119.950 -0.060 0.000 2.588 203 F HA 0.652 5.174 4.527 -0.008 0.000 0.318 203 F C -1.543 174.147 175.800 -0.184 0.000 1.155 203 F CA -1.172 56.702 58.000 -0.210 0.000 0.967 203 F CB 1.214 39.980 39.000 -0.389 0.000 1.236 203 F HN 0.305 nan 8.300 nan 0.000 0.455 204 A N 5.345 127.813 122.820 -0.587 0.000 2.318 204 A HA 0.775 5.089 4.320 -0.009 0.000 0.317 204 A C -1.791 175.284 177.584 -0.848 0.000 1.159 204 A CA -0.646 50.929 52.037 -0.770 0.000 0.799 204 A CB 1.364 19.766 19.000 -0.997 0.000 1.194 204 A HN 0.532 nan 8.150 nan 0.000 0.479 205 V N 4.302 123.766 119.914 -0.750 0.000 2.357 205 V HA 0.346 4.461 4.120 -0.009 0.000 0.284 205 V C -0.362 175.500 176.094 -0.386 0.000 1.018 205 V CA -0.118 61.837 62.300 -0.576 0.000 0.841 205 V CB 1.091 32.599 31.823 -0.524 0.000 0.991 205 V HN 0.730 nan 8.190 nan 0.000 0.437 206 I N 3.885 124.239 120.570 -0.360 0.000 2.330 206 I HA 0.342 4.506 4.170 -0.009 0.000 0.286 206 I C 0.011 175.986 176.117 -0.236 0.000 1.025 206 I CA -0.402 60.696 61.300 -0.335 0.000 1.197 206 I CB 1.254 38.965 38.000 -0.482 0.000 1.358 206 I HN 0.487 nan 8.210 nan 0.000 0.467 207 D N 5.129 125.428 120.400 -0.169 0.000 2.362 207 D HA 0.017 4.652 4.640 -0.009 0.000 0.242 207 D C 0.604 176.834 176.300 -0.118 0.000 1.132 207 D CA 0.540 54.471 54.000 -0.115 0.000 0.907 207 D CB 0.868 41.631 40.800 -0.061 0.000 1.195 207 D HN 0.427 nan 8.370 nan 0.000 0.429 208 E N 0.420 120.565 120.200 -0.092 0.000 2.586 208 E HA -0.182 4.163 4.350 -0.009 0.000 0.259 208 E C 1.062 177.607 176.600 -0.093 0.000 1.107 208 E CA 0.419 56.772 56.400 -0.078 0.000 0.754 208 E CB -1.591 28.068 29.700 -0.069 0.000 1.335 208 E HN 0.268 nan 8.360 nan 0.000 0.411 209 V N 0.654 120.498 119.914 -0.116 0.000 2.546 209 V HA -0.333 3.781 4.120 -0.009 0.000 0.254 209 V C 1.921 178.029 176.094 0.024 0.000 1.076 209 V CA 2.698 64.923 62.300 -0.125 0.000 1.087 209 V CB -0.144 31.560 31.823 -0.198 0.000 0.674 209 V HN 0.578 nan 8.190 nan 0.000 0.470 210 D N -1.407 119.049 120.400 0.093 0.000 2.183 210 D HA -0.119 4.516 4.640 -0.009 0.000 0.203 210 D C 2.053 178.369 176.300 0.026 0.000 0.969 210 D CA 1.405 55.498 54.000 0.156 0.000 0.842 210 D CB -0.340 40.551 40.800 0.152 0.000 0.957 210 D HN 0.495 nan 8.370 nan 0.000 0.484 211 S N 0.402 116.092 115.700 -0.016 0.000 2.368 211 S HA 0.007 4.471 4.470 -0.009 0.000 0.224 211 S C 2.198 176.755 174.600 -0.071 0.000 1.029 211 S CA 0.553 58.730 58.200 -0.040 0.000 0.988 211 S CB -0.073 63.097 63.200 -0.050 0.000 0.838 211 S HN 0.315 nan 8.310 nan 0.000 0.462 212 I N 0.557 121.055 120.570 -0.120 0.000 2.339 212 I HA 0.019 4.184 4.170 -0.009 0.000 0.245 212 I C 1.693 177.739 176.117 -0.118 0.000 1.096 212 I CA 0.965 62.140 61.300 -0.208 0.000 1.408 212 I CB -0.094 37.719 38.000 -0.312 0.000 1.092 212 I HN 0.190 nan 8.210 nan 0.000 0.423 213 L N 0.199 121.368 121.223 -0.090 0.000 2.529 213 L HA 0.059 4.393 4.340 -0.009 0.000 0.223 213 L C 1.886 178.815 176.870 0.097 0.000 1.113 213 L CA 0.255 55.081 54.840 -0.024 0.000 0.861 213 L CB 0.291 42.199 42.059 -0.252 0.000 1.012 213 L HN 0.233 nan 8.230 nan 0.000 0.461 214 I N -1.087 119.487 120.570 0.007 0.000 3.523 214 I HA -0.002 4.163 4.170 -0.009 0.000 0.244 214 I C 1.773 177.907 176.117 0.030 0.000 1.110 214 I CA 0.564 61.849 61.300 -0.025 0.000 1.517 214 I CB -0.926 36.982 38.000 -0.154 0.000 1.505 214 I HN 0.055 nan 8.210 nan 0.000 0.460 215 D N 1.540 121.950 120.400 0.017 0.000 2.144 215 D HA -0.166 4.469 4.640 -0.009 0.000 0.199 215 D C 1.365 177.709 176.300 0.073 0.000 0.984 215 D CA 1.312 55.333 54.000 0.036 0.000 0.834 215 D CB 0.068 40.880 40.800 0.019 0.000 0.955 215 D HN 0.475 nan 8.370 nan 0.000 0.465 216 E N -0.041 120.208 120.200 0.082 0.000 2.465 216 E HA 0.244 4.589 4.350 -0.009 0.000 0.195 216 E C 1.658 178.431 176.600 0.288 0.000 1.028 216 E CA -0.187 56.312 56.400 0.166 0.000 0.899 216 E CB 0.622 30.361 29.700 0.064 0.000 1.032 216 E HN 0.094 nan 8.360 nan 0.000 0.468 217 A N 1.804 124.758 122.820 0.224 0.000 1.903 217 A HA -0.224 4.090 4.320 -0.009 0.000 0.219 217 A C 2.009 179.753 177.584 0.266 0.000 1.191 217 A CA 1.394 53.599 52.037 0.279 0.000 0.638 217 A CB -0.222 18.902 19.000 0.207 0.000 0.823 217 A HN 0.133 nan 8.150 nan 0.000 0.451 218 R N -0.597 120.018 120.500 0.191 0.000 2.427 218 R HA 0.114 4.448 4.340 -0.009 0.000 0.262 218 R C -0.433 175.945 176.300 0.130 0.000 0.943 218 R CA 0.048 56.232 56.100 0.140 0.000 1.081 218 R CB 0.023 30.379 30.300 0.093 0.000 1.166 218 R HN 0.321 nan 8.270 nan 0.000 0.534 219 T N 4.799 119.471 114.554 0.197 0.000 2.817 219 T HA 0.099 4.444 4.350 -0.009 0.000 0.295 219 T C -2.225 172.494 174.700 0.032 0.000 0.958 219 T CA -0.819 61.383 62.100 0.171 0.000 1.157 219 T CB 0.921 69.984 68.868 0.324 0.000 0.898 219 T HN 0.066 nan 8.240 nan 0.000 0.536 220 P HA 0.318 nan 4.420 nan 0.000 0.293 220 P C -0.551 176.675 177.300 -0.124 0.000 1.300 220 P CA -0.528 62.529 63.100 -0.072 0.000 0.792 220 P CB 0.717 32.413 31.700 -0.007 0.000 0.925 221 L N 4.994 126.050 121.223 -0.279 0.000 2.290 221 L HA 0.420 4.755 4.340 -0.009 0.000 0.284 221 L C 0.812 177.660 176.870 -0.035 0.000 1.078 221 L CA -0.720 53.944 54.840 -0.294 0.000 0.815 221 L CB 0.319 41.942 42.059 -0.727 0.000 1.162 221 L HN 0.380 nan 8.230 nan 0.000 0.435 222 I N 1.818 122.481 120.570 0.156 0.000 2.608 222 I HA 0.580 4.744 4.170 -0.009 0.000 0.295 222 I C -0.765 175.506 176.117 0.258 0.000 1.049 222 I CA -0.473 60.933 61.300 0.176 0.000 1.063 222 I CB 1.908 39.975 38.000 0.112 0.000 1.248 222 I HN 0.316 nan 8.210 nan 0.000 0.424 223 I N 4.547 125.233 120.570 0.193 0.000 2.362 223 I HA 0.427 4.591 4.170 -0.009 0.000 0.289 223 I C -0.278 175.896 176.117 0.095 0.000 0.994 223 I CA -0.416 60.970 61.300 0.144 0.000 1.158 223 I CB 1.742 39.830 38.000 0.147 0.000 1.315 223 I HN 0.682 nan 8.210 nan 0.000 0.451 224 S N 3.586 119.324 115.700 0.064 0.000 2.617 224 S HA 0.613 5.077 4.470 -0.009 0.000 0.283 224 S C 0.416 175.039 174.600 0.039 0.000 1.189 224 S CA -0.666 57.563 58.200 0.049 0.000 1.036 224 S CB 1.922 65.145 63.200 0.040 0.000 1.014 224 S HN 0.783 nan 8.310 nan 0.000 0.522 225 G N 0.194 109.017 108.800 0.037 0.000 2.580 225 G HA2 0.382 4.336 3.960 -0.009 0.000 0.278 225 G HA3 0.382 4.336 3.960 -0.009 0.000 0.278 225 G C -0.136 174.779 174.900 0.024 0.000 1.212 225 G CA -0.520 44.599 45.100 0.030 0.000 0.939 225 G HN 0.656 nan 8.290 nan 0.000 0.513 226 Q N -0.579 119.233 119.800 0.019 0.000 2.360 226 Q HA 0.401 4.736 4.340 -0.009 0.000 0.202 226 Q C 0.964 176.976 176.000 0.020 0.000 0.915 226 Q CA 0.175 55.988 55.803 0.017 0.000 0.943 226 Q CB 0.723 29.468 28.738 0.012 0.000 1.064 226 Q HN 0.546 nan 8.270 nan 0.000 0.511 227 A N 0.810 123.644 122.820 0.023 0.000 2.304 227 A HA 0.739 5.053 4.320 -0.009 0.000 0.301 227 A C -0.142 177.462 177.584 0.034 0.000 1.132 227 A CA -0.491 51.562 52.037 0.027 0.000 0.819 227 A CB 0.470 19.486 19.000 0.026 0.000 1.094 227 A HN 0.311 nan 8.150 nan 0.000 0.492 228 A N 1.862 124.705 122.820 0.037 0.000 2.409 228 A HA 0.436 4.750 4.320 -0.009 0.000 0.262 228 A C 0.535 178.154 177.584 0.060 0.000 1.113 228 A CA -0.367 51.698 52.037 0.047 0.000 0.790 228 A CB -0.001 19.027 19.000 0.047 0.000 1.046 228 A HN 0.851 nan 8.150 nan 0.000 0.496 229 K N 2.361 122.806 120.400 0.075 0.000 2.472 229 K HA 0.100 4.415 4.320 -0.009 0.000 0.280 229 K C 0.595 177.267 176.600 0.121 0.000 1.028 229 K CA 0.184 56.529 56.287 0.098 0.000 1.045 229 K CB 0.261 32.839 32.500 0.129 0.000 0.902 229 K HN 0.751 nan 8.250 nan 0.000 0.478 230 S N 2.308 118.066 115.700 0.097 0.000 2.563 230 S HA -0.038 4.426 4.470 -0.009 0.000 0.284 230 S C 1.093 175.794 174.600 0.169 0.000 1.331 230 S CA 0.287 58.545 58.200 0.098 0.000 1.047 230 S CB 0.612 63.841 63.200 0.048 0.000 0.859 230 S HN 0.764 nan 8.310 nan 0.000 0.514 231 T N 1.598 116.273 114.554 0.203 0.000 3.054 231 T HA 0.258 4.602 4.350 -0.009 0.000 0.255 231 T C 1.430 176.280 174.700 0.251 0.000 1.035 231 T CA -0.141 62.194 62.100 0.393 0.000 0.941 231 T CB -0.057 69.003 68.868 0.319 0.000 1.026 231 T HN 0.661 nan 8.240 nan 0.000 0.533 232 K N 0.444 120.902 120.400 0.097 0.000 2.059 232 K HA -0.117 4.198 4.320 -0.009 0.000 0.212 232 K C 1.957 178.559 176.600 0.004 0.000 1.050 232 K CA 1.319 57.636 56.287 0.051 0.000 0.927 232 K CB -0.343 32.169 32.500 0.018 0.000 0.714 232 K HN 0.253 nan 8.250 nan 0.000 0.447 233 L N 0.795 121.927 121.223 -0.151 0.000 2.079 233 L HA -0.183 4.152 4.340 -0.009 0.000 0.210 233 L C 1.849 178.621 176.870 -0.164 0.000 1.081 233 L CA 1.672 56.323 54.840 -0.315 0.000 0.752 233 L CB -0.734 40.856 42.059 -0.782 0.000 0.896 233 L HN 0.263 nan 8.230 nan 0.000 0.433 234 Y N -1.392 118.974 120.300 0.109 0.000 2.181 234 Y HA -0.219 4.325 4.550 -0.009 0.000 0.288 234 Y C 2.517 178.489 175.900 0.120 0.000 1.146 234 Y CA 1.668 59.869 58.100 0.168 0.000 1.164 234 Y CB -0.696 37.857 38.460 0.154 0.000 0.982 234 Y HN 0.187 nan 8.280 nan 0.000 0.515 235 V N -1.399 118.662 119.914 0.244 0.000 2.488 235 V HA -0.217 3.898 4.120 -0.009 0.000 0.246 235 V C 1.815 177.999 176.094 0.150 0.000 1.046 235 V CA 1.513 63.916 62.300 0.172 0.000 1.053 235 V CB -0.639 31.264 31.823 0.132 0.000 0.679 235 V HN 0.389 nan 8.190 nan 0.000 0.458 236 Q N 0.741 120.626 119.800 0.143 0.000 2.030 236 Q HA -0.141 4.194 4.340 -0.009 0.000 0.204 236 Q C 2.536 178.694 176.000 0.264 0.000 0.986 236 Q CA 2.271 58.186 55.803 0.186 0.000 0.843 236 Q CB -0.519 28.348 28.738 0.215 0.000 0.904 236 Q HN 0.787 nan 8.270 nan 0.000 0.420 237 A N 1.370 124.323 122.820 0.220 0.000 1.858 237 A HA -0.277 4.038 4.320 -0.009 0.000 0.216 237 A C 1.821 179.534 177.584 0.215 0.000 1.190 237 A CA 1.878 54.061 52.037 0.244 0.000 0.617 237 A CB -0.957 18.145 19.000 0.170 0.000 0.827 237 A HN 0.436 nan 8.150 nan 0.000 0.443 238 N N 0.371 119.172 118.700 0.168 0.000 2.094 238 N HA -0.159 4.575 4.740 -0.009 0.000 0.191 238 N C 1.666 177.201 175.510 0.042 0.000 1.023 238 N CA 2.398 55.511 53.050 0.105 0.000 0.857 238 N CB -0.398 38.189 38.487 0.166 0.000 1.013 238 N HN 0.384 nan 8.380 nan 0.000 0.426 239 A N -0.812 122.067 122.820 0.098 0.000 1.930 239 A HA -0.040 4.274 4.320 -0.009 0.000 0.217 239 A C 2.147 179.769 177.584 0.063 0.000 1.175 239 A CA 1.113 53.189 52.037 0.065 0.000 0.627 239 A CB -1.033 18.011 19.000 0.073 0.000 0.815 239 A HN 0.488 nan 8.150 nan 0.000 0.443 240 F N 0.727 120.677 119.950 -0.001 0.000 2.146 240 F HA -0.101 4.420 4.527 -0.009 0.000 0.298 240 F C 2.121 177.897 175.800 -0.040 0.000 1.096 240 F CA 1.724 59.722 58.000 -0.004 0.000 1.275 240 F CB -0.363 38.712 39.000 0.126 0.000 1.008 240 F HN 0.010 nan 8.300 nan 0.000 0.480 241 V N 1.487 121.265 119.914 -0.226 0.000 2.407 241 V HA -0.288 3.827 4.120 -0.009 0.000 0.248 241 V C 2.534 178.366 176.094 -0.438 0.000 1.055 241 V CA 2.123 64.168 62.300 -0.425 0.000 1.049 241 V CB -0.740 30.857 31.823 -0.377 0.000 0.662 241 V HN 0.297 nan 8.190 nan 0.000 0.455 242 R N 0.453 120.749 120.500 -0.341 0.000 2.105 242 R HA -0.173 4.162 4.340 -0.009 0.000 0.239 242 R C 2.419 178.612 176.300 -0.178 0.000 1.135 242 R CA 1.944 57.908 56.100 -0.228 0.000 0.967 242 R CB -0.909 29.325 30.300 -0.109 0.000 0.861 242 R HN 0.699 nan 8.270 nan 0.000 0.442 243 T N -0.584 113.842 114.554 -0.214 0.000 3.072 243 T HA 0.047 4.391 4.350 -0.009 0.000 0.266 243 T C 1.004 175.581 174.700 -0.206 0.000 1.127 243 T CA 0.190 62.182 62.100 -0.179 0.000 1.107 243 T CB -0.156 68.616 68.868 -0.161 0.000 0.910 243 T HN -0.011 nan 8.240 nan 0.000 0.513 244 L N 1.498 122.551 121.223 -0.284 0.000 2.452 244 L HA 0.364 4.698 4.340 -0.009 0.000 0.267 244 L C 0.487 177.364 176.870 0.010 0.000 1.188 244 L CA -0.316 54.419 54.840 -0.175 0.000 0.821 244 L CB 0.518 42.450 42.059 -0.212 0.000 1.102 244 L HN 0.201 nan 8.230 nan 0.000 0.470 245 K N 1.340 121.776 120.400 0.059 0.000 2.207 245 K HA 0.412 4.727 4.320 -0.009 0.000 0.255 245 K C 0.492 177.071 176.600 -0.034 0.000 0.941 245 K CA -0.526 55.785 56.287 0.038 0.000 0.825 245 K CB 1.998 34.487 32.500 -0.019 0.000 1.119 245 K HN 0.641 nan 8.250 nan 0.000 0.430 246 A N 1.638 124.389 122.820 -0.114 0.000 1.940 246 A HA -0.179 4.136 4.320 -0.009 0.000 0.219 246 A C 1.565 178.676 177.584 -0.788 0.000 1.176 246 A CA 1.636 53.377 52.037 -0.494 0.000 0.631 246 A CB -0.080 18.835 19.000 -0.141 0.000 0.814 246 A HN 0.719 nan 8.150 nan 0.000 0.446 247 E N -1.547 118.417 120.200 -0.394 0.000 2.453 247 E HA 0.069 4.413 4.350 -0.009 0.000 0.211 247 E C 1.761 178.233 176.600 -0.213 0.000 0.897 247 E CA 0.255 56.462 56.400 -0.322 0.000 1.063 247 E CB 0.099 29.692 29.700 -0.177 0.000 1.080 247 E HN 0.655 nan 8.360 nan 0.000 0.512 248 K N 0.880 121.184 120.400 -0.161 0.000 2.057 248 K HA -0.117 4.197 4.320 -0.009 0.000 0.207 248 K C 0.754 177.321 176.600 -0.056 0.000 1.049 248 K CA 1.594 57.832 56.287 -0.081 0.000 0.931 248 K CB 0.253 32.721 32.500 -0.053 0.000 0.714 248 K HN -0.061 nan 8.250 nan 0.000 0.440 249 D N -1.227 119.134 120.400 -0.065 0.000 2.389 249 D HA 0.044 4.678 4.640 -0.009 0.000 0.206 249 D C -0.224 176.179 176.300 0.172 0.000 1.055 249 D CA 0.292 54.329 54.000 0.062 0.000 0.856 249 D CB 0.525 41.400 40.800 0.124 0.000 0.957 249 D HN 0.253 nan 8.370 nan 0.000 0.509 250 Y N -1.526 118.777 120.300 0.005 0.000 2.656 250 Y HA 0.622 5.167 4.550 -0.009 0.000 0.334 250 Y C -0.961 174.960 175.900 0.036 0.000 1.179 250 Y CA -1.131 56.980 58.100 0.019 0.000 1.050 250 Y CB 0.883 39.349 38.460 0.010 0.000 1.308 250 Y HN -0.353 nan 8.280 nan 0.000 0.456 251 T N 0.755 115.435 114.554 0.210 0.000 2.868 251 T HA 0.282 4.627 4.350 -0.009 0.000 0.306 251 T C -2.200 172.620 174.700 0.199 0.000 1.224 251 T CA -0.802 61.385 62.100 0.145 0.000 1.012 251 T CB 1.744 70.665 68.868 0.089 0.000 1.221 251 T HN 0.729 nan 8.240 nan 0.000 0.499 252 Y N 2.093 122.445 120.300 0.087 0.000 2.434 252 Y HA 0.409 4.954 4.550 -0.009 0.000 0.341 252 Y C -0.148 175.784 175.900 0.054 0.000 0.965 252 Y CA -0.777 57.368 58.100 0.075 0.000 1.205 252 Y CB 0.486 38.983 38.460 0.062 0.000 1.121 252 Y HN 0.578 nan 8.280 nan 0.000 0.507 253 D N 6.389 126.724 120.400 -0.108 0.000 2.338 253 D HA -0.038 4.596 4.640 -0.009 0.000 0.255 253 D C 1.174 177.472 176.300 -0.003 0.000 1.237 253 D CA 0.283 54.268 54.000 -0.026 0.000 0.883 253 D CB 0.635 41.408 40.800 -0.044 0.000 1.087 253 D HN 0.848 nan 8.370 nan 0.000 0.485 254 I N 3.749 124.397 120.570 0.130 0.000 2.208 254 I HA -0.277 3.888 4.170 -0.009 0.000 0.245 254 I C 1.801 177.960 176.117 0.070 0.000 1.097 254 I CA 1.282 62.673 61.300 0.151 0.000 1.363 254 I CB 0.161 38.230 38.000 0.116 0.000 1.051 254 I HN 0.233 nan 8.210 nan 0.000 0.413 255 K N 1.020 121.441 120.400 0.035 0.000 2.057 255 K HA -0.153 4.162 4.320 -0.009 0.000 0.207 255 K C 1.892 178.490 176.600 -0.003 0.000 1.049 255 K CA 2.423 58.718 56.287 0.014 0.000 0.931 255 K CB -0.679 31.826 32.500 0.009 0.000 0.714 255 K HN 0.587 nan 8.250 nan 0.000 0.440 256 T N -2.911 111.630 114.554 -0.023 0.000 3.060 256 T HA 0.217 4.561 4.350 -0.009 0.000 0.249 256 T C -0.013 174.637 174.700 -0.083 0.000 1.079 256 T CA -0.167 61.910 62.100 -0.038 0.000 1.013 256 T CB -0.132 68.722 68.868 -0.022 0.000 0.975 256 T HN 0.157 nan 8.240 nan 0.000 0.518 257 K N 0.838 121.175 120.400 -0.105 0.000 3.393 257 K HA 0.008 4.323 4.320 -0.009 0.000 0.272 257 K C -0.319 176.104 176.600 -0.294 0.000 1.004 257 K CA 0.506 56.717 56.287 -0.128 0.000 0.764 257 K CB -1.815 30.675 32.500 -0.017 0.000 1.373 257 K HN 0.876 nan 8.250 nan 0.000 0.458 258 A N -0.889 121.571 122.820 -0.600 0.000 2.586 258 A HA 0.605 4.919 4.320 -0.009 0.000 0.291 258 A C -1.132 176.133 177.584 -0.531 0.000 1.062 258 A CA -0.746 51.008 52.037 -0.471 0.000 0.666 258 A CB 1.447 20.331 19.000 -0.193 0.000 1.281 258 A HN 0.098 nan 8.150 nan 0.000 0.421 259 V N 1.888 121.649 119.914 -0.254 0.000 2.385 259 V HA 0.422 4.536 4.120 -0.009 0.000 0.269 259 V C 0.037 176.119 176.094 -0.021 0.000 1.043 259 V CA 0.093 62.348 62.300 -0.076 0.000 0.906 259 V CB 0.591 32.430 31.823 0.028 0.000 0.995 259 V HN 0.814 nan 8.190 nan 0.000 0.467 260 Q N 3.571 123.393 119.800 0.036 0.000 2.348 260 Q HA 0.615 4.950 4.340 -0.009 0.000 0.271 260 Q C -0.825 175.249 176.000 0.125 0.000 1.067 260 Q CA -0.930 54.913 55.803 0.067 0.000 0.839 260 Q CB 2.822 31.602 28.738 0.070 0.000 1.354 260 Q HN 0.586 nan 8.270 nan 0.000 0.447 261 L N 1.381 122.669 121.223 0.108 0.000 2.483 261 L HA 0.114 4.448 4.340 -0.009 0.000 0.276 261 L C 0.436 177.375 176.870 0.116 0.000 1.213 261 L CA 0.229 55.144 54.840 0.126 0.000 0.843 261 L CB 0.361 42.470 42.059 0.084 0.000 1.107 261 L HN 0.678 nan 8.230 nan 0.000 0.487 262 T N 0.586 115.208 114.554 0.113 0.000 2.770 262 T HA -0.009 4.335 4.350 -0.009 0.000 0.281 262 T C 1.132 175.876 174.700 0.072 0.000 0.981 262 T CA -0.673 61.477 62.100 0.083 0.000 0.955 262 T CB 0.913 69.815 68.868 0.056 0.000 1.060 262 T HN 0.596 nan 8.240 nan 0.000 0.531 263 E N 0.471 120.710 120.200 0.065 0.000 2.153 263 E HA -0.161 4.184 4.350 -0.009 0.000 0.194 263 E C 1.815 178.442 176.600 0.046 0.000 0.988 263 E CA 1.413 57.847 56.400 0.057 0.000 0.811 263 E CB 0.017 29.750 29.700 0.056 0.000 0.746 263 E HN 0.573 nan 8.360 nan 0.000 0.466 264 E N -0.866 119.361 120.200 0.046 0.000 2.107 264 E HA -0.061 4.283 4.350 -0.009 0.000 0.191 264 E C 1.911 178.552 176.600 0.068 0.000 0.982 264 E CA 1.073 57.500 56.400 0.045 0.000 0.809 264 E CB -0.472 29.249 29.700 0.034 0.000 0.756 264 E HN 0.360 nan 8.360 nan 0.000 0.459 265 G N 0.216 109.067 108.800 0.085 0.000 2.422 265 G HA2 -0.257 3.697 3.960 -0.009 0.000 0.218 265 G HA3 -0.257 3.697 3.960 -0.009 0.000 0.218 265 G C 1.527 176.522 174.900 0.158 0.000 1.146 265 G CA 0.717 45.899 45.100 0.138 0.000 0.769 265 G HN 0.132 nan 8.290 nan 0.000 0.547 266 M N 0.246 119.883 119.600 0.062 0.000 2.132 266 M HA -0.046 4.429 4.480 -0.009 0.000 0.263 266 M C 2.801 179.093 176.300 -0.013 0.000 1.065 266 M CA 1.457 56.743 55.300 -0.023 0.000 1.122 266 M CB -0.495 32.038 32.600 -0.111 0.000 1.365 266 M HN 0.123 nan 8.290 nan 0.000 0.411 267 T N 0.443 115.007 114.554 0.016 0.000 2.759 267 T HA -0.194 4.150 4.350 -0.009 0.000 0.269 267 T C 1.740 176.465 174.700 0.041 0.000 1.042 267 T CA 1.495 63.605 62.100 0.017 0.000 1.140 267 T CB -0.184 68.699 68.868 0.025 0.000 0.864 267 T HN 0.355 nan 8.240 nan 0.000 0.455 268 K N 0.766 121.228 120.400 0.103 0.000 2.062 268 K HA 0.072 4.386 4.320 -0.009 0.000 0.205 268 K C 2.497 179.216 176.600 0.198 0.000 1.051 268 K CA 1.045 57.438 56.287 0.176 0.000 0.941 268 K CB -0.274 32.370 32.500 0.241 0.000 0.719 268 K HN 0.249 nan 8.250 nan 0.000 0.440 269 A N 1.231 124.146 122.820 0.157 0.000 1.902 269 A HA -0.183 4.131 4.320 -0.009 0.000 0.217 269 A C 1.841 179.351 177.584 -0.122 0.000 1.181 269 A CA 1.738 53.597 52.037 -0.296 0.000 0.623 269 A CB -0.498 18.310 19.000 -0.320 0.000 0.818 269 A HN 0.470 nan 8.150 nan 0.000 0.443 270 E N -0.610 119.537 120.200 -0.088 0.000 2.153 270 E HA -0.173 4.171 4.350 -0.009 0.000 0.194 270 E C 2.087 178.659 176.600 -0.048 0.000 0.988 270 E CA 1.275 57.622 56.400 -0.089 0.000 0.811 270 E CB -0.056 29.591 29.700 -0.088 0.000 0.746 270 E HN 0.605 nan 8.360 nan 0.000 0.466 271 K N 0.308 120.691 120.400 -0.029 0.000 2.116 271 K HA -0.029 4.286 4.320 -0.009 0.000 0.203 271 K C 2.104 178.663 176.600 -0.068 0.000 1.052 271 K CA 0.847 57.116 56.287 -0.030 0.000 0.952 271 K CB 0.008 32.504 32.500 -0.006 0.000 0.729 271 K HN 0.069 nan 8.250 nan 0.000 0.446 272 A N 0.947 123.702 122.820 -0.108 0.000 1.877 272 A HA -0.045 4.269 4.320 -0.009 0.000 0.216 272 A C 0.926 178.217 177.584 -0.488 0.000 1.186 272 A CA 1.080 52.943 52.037 -0.290 0.000 0.620 272 A CB -0.396 18.373 19.000 -0.385 0.000 0.822 272 A HN 0.183 nan 8.150 nan 0.000 0.443 273 F N -1.496 118.316 119.950 -0.229 0.000 2.272 273 F HA 0.532 5.053 4.527 -0.009 0.000 0.316 273 F C 1.637 177.341 175.800 -0.160 0.000 1.068 273 F CA -0.155 57.727 58.000 -0.197 0.000 1.114 273 F CB 0.139 38.982 39.000 -0.262 0.000 1.611 273 F HN -0.007 nan 8.300 nan 0.000 0.519 274 G N 0.429 109.265 108.800 0.061 0.000 4.125 274 G HA2 0.471 4.425 3.960 -0.009 0.000 0.301 274 G HA3 0.471 4.425 3.960 -0.009 0.000 0.301 274 G C -0.408 174.471 174.900 -0.036 0.000 1.273 274 G CA -0.099 45.000 45.100 -0.001 0.000 1.095 274 G HN 0.294 nan 8.290 nan 0.000 0.582 275 I N -0.606 119.905 120.570 -0.098 0.000 2.498 275 I HA 0.345 4.510 4.170 -0.009 0.000 0.301 275 I C 0.226 176.281 176.117 -0.104 0.000 0.984 275 I CA -0.967 60.216 61.300 -0.195 0.000 1.204 275 I CB 1.799 39.525 38.000 -0.457 0.000 1.362 275 I HN -0.093 nan 8.210 nan 0.000 0.471 276 D N 2.196 122.564 120.400 -0.053 0.000 2.197 276 D HA -0.026 4.609 4.640 -0.009 0.000 0.212 276 D C 0.362 176.646 176.300 -0.026 0.000 0.963 276 D CA 1.354 55.342 54.000 -0.020 0.000 0.864 276 D CB 0.235 41.044 40.800 0.016 0.000 1.009 276 D HN 0.610 nan 8.370 nan 0.000 0.479 277 N N 0.456 119.147 118.700 -0.016 0.000 2.519 277 N HA 0.075 4.810 4.740 -0.009 0.000 0.286 277 N C 0.282 175.774 175.510 -0.030 0.000 1.079 277 N CA -0.356 52.697 53.050 0.005 0.000 0.878 277 N CB 1.490 40.024 38.487 0.079 0.000 1.375 277 N HN -0.206 nan 8.380 nan 0.000 0.514 278 L N 4.092 125.216 121.223 -0.166 0.000 2.265 278 L HA 0.108 4.442 4.340 -0.009 0.000 0.215 278 L C 0.638 177.420 176.870 -0.147 0.000 1.117 278 L CA 1.745 56.432 54.840 -0.255 0.000 0.782 278 L CB -0.388 41.436 42.059 -0.392 0.000 0.914 278 L HN 0.619 nan 8.230 nan 0.000 0.441 279 F N -0.871 119.096 119.950 0.027 0.000 2.743 279 F HA 0.103 4.625 4.527 -0.009 0.000 0.297 279 F C 1.307 177.129 175.800 0.038 0.000 1.131 279 F CA -0.598 57.422 58.000 0.034 0.000 1.426 279 F CB -0.623 38.393 39.000 0.026 0.000 1.116 279 F HN 0.052 nan 8.300 nan 0.000 0.583 280 D N 0.805 121.338 120.400 0.221 0.000 2.472 280 D HA -0.047 4.588 4.640 -0.009 0.000 0.237 280 D C 1.698 178.017 176.300 0.031 0.000 1.141 280 D CA 0.264 54.335 54.000 0.119 0.000 0.875 280 D CB 1.760 42.633 40.800 0.122 0.000 1.192 280 D HN 0.135 nan 8.370 nan 0.000 0.450 281 V N 2.734 122.623 119.914 -0.041 0.000 2.490 281 V HA -0.241 3.873 4.120 -0.009 0.000 0.250 281 V C 2.130 178.099 176.094 -0.208 0.000 1.061 281 V CA 1.901 64.152 62.300 -0.081 0.000 1.064 281 V CB -0.899 30.884 31.823 -0.066 0.000 0.670 281 V HN 0.699 nan 8.190 nan 0.000 0.461 282 K N 0.173 120.331 120.400 -0.403 0.000 2.515 282 K HA -0.146 4.169 4.320 -0.009 0.000 0.196 282 K C 1.038 177.285 176.600 -0.588 0.000 1.038 282 K CA 1.885 57.810 56.287 -0.603 0.000 0.967 282 K CB -0.562 31.460 32.500 -0.797 0.000 0.780 282 K HN 0.717 nan 8.250 nan 0.000 0.483 283 H N -0.280 118.724 119.070 -0.110 0.000 2.662 283 H HA 0.098 4.649 4.556 -0.009 0.000 0.268 283 H C 1.331 176.612 175.328 -0.079 0.000 1.152 283 H CA -0.268 55.711 56.048 -0.114 0.000 1.072 283 H CB 1.225 30.906 29.762 -0.136 0.000 1.660 283 H HN 0.025 nan 8.280 nan 0.000 0.584 284 V N 0.789 120.717 119.914 0.022 0.000 2.332 284 V HA -0.297 3.817 4.120 -0.009 0.000 0.248 284 V C 2.241 178.381 176.094 0.076 0.000 1.055 284 V CA 2.200 64.532 62.300 0.052 0.000 1.038 284 V CB -0.576 31.258 31.823 0.018 0.000 0.651 284 V HN 0.573 nan 8.190 nan 0.000 0.450 285 A N -0.082 122.762 122.820 0.040 0.000 1.858 285 A HA -0.177 4.138 4.320 -0.009 0.000 0.216 285 A C 2.179 179.820 177.584 0.095 0.000 1.190 285 A CA 2.153 54.250 52.037 0.100 0.000 0.617 285 A CB -0.894 18.099 19.000 -0.011 0.000 0.827 285 A HN 0.629 nan 8.150 nan 0.000 0.443 286 L N 0.837 122.007 121.223 -0.088 0.000 1.990 286 L HA -0.240 4.094 4.340 -0.009 0.000 0.213 286 L C 2.029 178.824 176.870 -0.125 0.000 1.072 286 L CA 2.872 57.573 54.840 -0.231 0.000 0.755 286 L CB -1.168 40.666 42.059 -0.374 0.000 0.889 286 L HN 0.532 nan 8.230 nan 0.000 0.432 287 N N -1.479 117.184 118.700 -0.060 0.000 2.104 287 N HA -0.287 4.447 4.740 -0.009 0.000 0.190 287 N C 2.168 177.719 175.510 0.068 0.000 1.024 287 N CA 1.801 54.837 53.050 -0.024 0.000 0.853 287 N CB -0.355 38.143 38.487 0.018 0.000 1.008 287 N HN 0.670 nan 8.380 nan 0.000 0.424 288 H N -0.773 118.328 119.070 0.052 0.000 2.363 288 H HA -0.064 4.486 4.556 -0.009 0.000 0.301 288 H C 1.541 176.887 175.328 0.031 0.000 1.074 288 H CA 1.495 57.570 56.048 0.045 0.000 1.354 288 H CB -0.199 29.584 29.762 0.034 0.000 1.397 288 H HN 0.503 nan 8.280 nan 0.000 0.516 289 H N 0.257 119.310 119.070 -0.030 0.000 2.353 289 H HA -0.113 4.437 4.556 -0.009 0.000 0.300 289 H C 2.633 177.921 175.328 -0.066 0.000 1.090 289 H CA 1.347 57.357 56.048 -0.063 0.000 1.327 289 H CB 0.222 29.929 29.762 -0.092 0.000 1.383 289 H HN 0.356 nan 8.280 nan 0.000 0.508 290 I N 1.042 121.651 120.570 0.066 0.000 2.208 290 I HA -0.287 3.877 4.170 -0.009 0.000 0.245 290 I C 2.119 178.235 176.117 -0.003 0.000 1.097 290 I CA 1.186 62.518 61.300 0.054 0.000 1.363 290 I CB -0.324 37.704 38.000 0.046 0.000 1.051 290 I HN 0.309 nan 8.210 nan 0.000 0.413 291 N N -0.141 118.525 118.700 -0.057 0.000 2.188 291 N HA -0.190 4.544 4.740 -0.009 0.000 0.184 291 N C 1.870 177.298 175.510 -0.138 0.000 1.018 291 N CA 0.781 53.776 53.050 -0.091 0.000 0.858 291 N CB 0.097 38.529 38.487 -0.091 0.000 0.989 291 N HN 0.352 nan 8.380 nan 0.000 0.426 292 Q N 0.742 120.416 119.800 -0.211 0.000 2.049 292 Q HA -0.006 4.328 4.340 -0.009 0.000 0.198 292 Q C 2.092 178.046 176.000 -0.077 0.000 0.971 292 Q CA 0.954 56.646 55.803 -0.185 0.000 0.833 292 Q CB -0.441 28.153 28.738 -0.241 0.000 0.896 292 Q HN 0.346 nan 8.270 nan 0.000 0.434 293 A N 0.419 123.232 122.820 -0.012 0.000 2.125 293 A HA -0.124 4.190 4.320 -0.009 0.000 0.219 293 A C 2.014 179.619 177.584 0.036 0.000 1.156 293 A CA 0.897 52.973 52.037 0.066 0.000 0.671 293 A CB -0.342 18.713 19.000 0.092 0.000 0.794 293 A HN 0.266 nan 8.150 nan 0.000 0.459 294 L N -0.922 120.271 121.223 -0.051 0.000 2.307 294 L HA 0.121 4.456 4.340 -0.009 0.000 0.211 294 L C 2.152 178.973 176.870 -0.082 0.000 1.099 294 L CA 1.784 56.551 54.840 -0.121 0.000 0.816 294 L CB -0.225 41.749 42.059 -0.140 0.000 0.952 294 L HN 0.426 nan 8.230 nan 0.000 0.455 295 K N -0.902 119.458 120.400 -0.066 0.000 2.186 295 K HA 0.016 4.331 4.320 -0.009 0.000 0.202 295 K C 1.866 178.429 176.600 -0.063 0.000 1.052 295 K CA 0.915 57.165 56.287 -0.062 0.000 0.965 295 K CB 0.076 32.519 32.500 -0.094 0.000 0.746 295 K HN 0.292 nan 8.250 nan 0.000 0.457 296 A N 0.225 123.007 122.820 -0.063 0.000 1.970 296 A HA -0.086 4.229 4.320 -0.009 0.000 0.216 296 A C 1.707 179.247 177.584 -0.072 0.000 1.170 296 A CA 0.917 52.888 52.037 -0.109 0.000 0.645 296 A CB -0.499 18.428 19.000 -0.122 0.000 0.816 296 A HN 0.354 nan 8.150 nan 0.000 0.447 297 H N -1.481 117.542 119.070 -0.079 0.000 2.465 297 H HA 0.062 4.612 4.556 -0.009 0.000 0.289 297 H C 1.852 177.159 175.328 -0.035 0.000 1.022 297 H CA 1.881 57.895 56.048 -0.058 0.000 1.340 297 H CB 0.652 30.355 29.762 -0.098 0.000 1.437 297 H HN 0.466 nan 8.280 nan 0.000 0.539 298 V N -2.300 117.652 119.914 0.064 0.000 3.502 298 V HA 0.483 4.598 4.120 -0.009 0.000 0.288 298 V C 1.504 177.649 176.094 0.086 0.000 1.461 298 V CA 0.737 63.083 62.300 0.077 0.000 1.029 298 V CB 0.635 32.515 31.823 0.095 0.000 0.843 298 V HN 0.236 nan 8.190 nan 0.000 0.438 299 A N 0.289 123.148 122.820 0.064 0.000 1.993 299 A HA 0.548 4.862 4.320 -0.009 0.000 0.207 299 A C 1.104 178.717 177.584 0.049 0.000 1.224 299 A CA 0.420 52.502 52.037 0.075 0.000 0.749 299 A CB -0.178 18.867 19.000 0.076 0.000 0.884 299 A HN 0.459 nan 8.150 nan 0.000 0.467 300 M N 1.762 121.384 119.600 0.038 0.000 2.151 300 M HA 0.358 4.832 4.480 -0.009 0.000 0.349 300 M C -0.597 175.831 176.300 0.212 0.000 1.284 300 M CA -0.269 55.102 55.300 0.119 0.000 1.173 300 M CB 0.586 33.200 32.600 0.024 0.000 1.469 300 M HN 0.235 nan 8.290 nan 0.000 0.439 301 Q N 2.489 122.346 119.800 0.095 0.000 2.293 301 Q HA 0.162 4.496 4.340 -0.009 0.000 0.263 301 Q C -0.172 175.662 176.000 -0.276 0.000 1.002 301 Q CA 0.210 55.996 55.803 -0.028 0.000 0.910 301 Q CB 0.662 29.369 28.738 -0.052 0.000 1.185 301 Q HN 0.370 nan 8.270 nan 0.000 0.401 302 K N 2.667 122.864 120.400 -0.339 0.000 2.412 302 K HA -0.081 4.234 4.320 -0.009 0.000 0.281 302 K C -0.675 175.633 176.600 -0.486 0.000 1.027 302 K CA 0.192 56.052 56.287 -0.712 0.000 0.989 302 K CB 0.392 32.741 32.500 -0.252 0.000 0.935 302 K HN 0.629 nan 8.250 nan 0.000 0.475 303 D N 1.752 121.818 120.400 -0.555 0.000 3.090 303 D HA -0.152 4.483 4.640 -0.009 0.000 0.215 303 D C 0.100 176.276 176.300 -0.206 0.000 1.140 303 D CA 0.990 54.824 54.000 -0.276 0.000 0.937 303 D CB -1.058 39.643 40.800 -0.165 0.000 1.108 303 D HN 0.325 nan 8.370 nan 0.000 0.420 304 V N -0.643 119.118 119.914 -0.255 0.000 3.914 304 V HA 0.037 4.151 4.120 -0.009 0.000 0.187 304 V C 1.661 177.705 176.094 -0.084 0.000 1.258 304 V CA 0.615 62.835 62.300 -0.135 0.000 1.298 304 V CB 0.039 31.796 31.823 -0.110 0.000 1.453 304 V HN -0.080 nan 8.190 nan 0.000 0.553 305 D N 0.123 120.481 120.400 -0.071 0.000 2.149 305 D HA 0.003 4.638 4.640 -0.009 0.000 0.201 305 D C 0.333 176.796 176.300 0.273 0.000 0.972 305 D CA 1.771 55.849 54.000 0.130 0.000 0.835 305 D CB 0.223 41.164 40.800 0.234 0.000 0.966 305 D HN 0.638 nan 8.370 nan 0.000 0.476 306 Y N -1.720 118.624 120.300 0.072 0.000 2.728 306 Y HA 0.549 5.094 4.550 -0.009 0.000 0.330 306 Y C -0.739 175.182 175.900 0.035 0.000 1.234 306 Y CA -1.517 56.634 58.100 0.086 0.000 1.070 306 Y CB 1.452 39.985 38.460 0.122 0.000 1.300 306 Y HN -0.210 nan 8.280 nan 0.000 0.467 307 V N -0.427 119.572 119.914 0.142 0.000 3.159 307 V HA 0.856 4.970 4.120 -0.009 0.000 0.308 307 V C -1.978 174.196 176.094 0.134 0.000 1.190 307 V CA -1.008 61.314 62.300 0.037 0.000 1.037 307 V CB 1.929 33.765 31.823 0.022 0.000 1.060 307 V HN 0.858 nan 8.190 nan 0.000 0.437 308 V N 2.982 122.944 119.914 0.079 0.000 2.357 308 V HA 0.538 4.653 4.120 -0.009 0.000 0.284 308 V C -0.096 176.028 176.094 0.049 0.000 1.018 308 V CA -0.281 62.068 62.300 0.081 0.000 0.841 308 V CB 1.197 33.063 31.823 0.071 0.000 0.991 308 V HN 1.009 nan 8.190 nan 0.000 0.437 309 E N 3.758 123.987 120.200 0.049 0.000 2.109 309 E HA 0.396 4.741 4.350 -0.009 0.000 0.278 309 E C -0.243 176.376 176.600 0.031 0.000 0.954 309 E CA -0.112 56.309 56.400 0.035 0.000 0.779 309 E CB 0.942 30.662 29.700 0.034 0.000 1.093 309 E HN 0.850 nan 8.360 nan 0.000 0.401 310 D N 2.321 122.736 120.400 0.024 0.000 3.955 310 D HA -0.233 4.401 4.640 -0.009 0.000 0.142 310 D C 0.602 176.917 176.300 0.025 0.000 0.877 310 D CA 2.167 56.181 54.000 0.022 0.000 1.100 310 D CB -1.014 39.799 40.800 0.022 0.000 0.533 310 D HN 0.599 nan 8.370 nan 0.000 0.546 311 G N -0.434 108.382 108.800 0.026 0.000 3.690 311 G HA2 0.398 4.352 3.960 -0.009 0.000 0.283 311 G HA3 0.398 4.352 3.960 -0.009 0.000 0.283 311 G C -0.242 174.678 174.900 0.033 0.000 1.057 311 G CA 0.062 45.178 45.100 0.027 0.000 0.821 311 G HN 0.096 nan 8.290 nan 0.000 0.526 312 Q N -0.474 119.351 119.800 0.042 0.000 2.359 312 Q HA 0.616 4.951 4.340 -0.009 0.000 0.275 312 Q C -0.503 175.539 176.000 0.071 0.000 1.082 312 Q CA -0.700 55.138 55.803 0.058 0.000 0.849 312 Q CB 2.871 31.643 28.738 0.057 0.000 1.377 312 Q HN 0.114 nan 8.270 nan 0.000 0.452 313 V N 0.329 120.299 119.914 0.093 0.000 2.459 313 V HA 0.827 4.942 4.120 -0.009 0.000 0.295 313 V C -1.267 174.910 176.094 0.139 0.000 1.029 313 V CA -0.497 61.853 62.300 0.084 0.000 0.874 313 V CB 1.614 33.391 31.823 -0.078 0.000 0.985 313 V HN 0.515 nan 8.190 nan 0.000 0.438 314 V N 7.183 127.183 119.914 0.144 0.000 2.628 314 V HA 0.512 4.626 4.120 -0.009 0.000 0.306 314 V C -0.064 176.110 176.094 0.133 0.000 1.045 314 V CA -0.674 61.697 62.300 0.118 0.000 0.905 314 V CB 1.904 33.774 31.823 0.079 0.000 0.997 314 V HN 1.001 nan 8.190 nan 0.000 0.436 315 I N 5.412 126.004 120.570 0.037 0.000 2.396 315 I HA 0.201 4.366 4.170 -0.009 0.000 0.289 315 I C 0.958 177.108 176.117 0.057 0.000 1.056 315 I CA 0.591 61.897 61.300 0.011 0.000 1.365 315 I CB 1.342 39.174 38.000 -0.279 0.000 1.407 315 I HN 0.461 nan 8.210 nan 0.000 0.509 316 V N 5.466 125.447 119.914 0.112 0.000 2.307 316 V HA -0.169 3.946 4.120 -0.009 0.000 0.245 316 V C 1.557 177.695 176.094 0.072 0.000 1.045 316 V CA 1.999 64.346 62.300 0.079 0.000 1.024 316 V CB -1.354 30.510 31.823 0.068 0.000 0.651 316 V HN 1.133 nan 8.190 nan 0.000 0.449 317 D N 0.194 120.646 120.400 0.086 0.000 2.792 317 D HA -0.262 4.372 4.640 -0.009 0.000 0.192 317 D C 0.560 176.895 176.300 0.059 0.000 1.007 317 D CA 1.293 55.339 54.000 0.077 0.000 1.020 317 D CB -1.650 39.187 40.800 0.061 0.000 1.089 317 D HN 1.464 nan 8.370 nan 0.000 0.438 318 S N -1.610 114.105 115.700 0.024 0.000 3.312 318 S HA -0.278 4.186 4.470 -0.009 0.000 0.423 318 S C 0.782 175.376 174.600 -0.011 0.000 0.840 318 S CA 0.794 58.957 58.200 -0.062 0.000 1.357 318 S CB -2.159 60.997 63.200 -0.074 0.000 0.969 318 S HN 0.468 nan 8.310 nan 0.000 0.641 319 F N 2.797 122.762 119.950 0.024 0.000 2.171 319 F HA 0.022 4.544 4.527 -0.009 0.000 0.300 319 F C 2.371 178.182 175.800 0.018 0.000 1.090 319 F CA 1.818 59.830 58.000 0.020 0.000 1.293 319 F CB -0.531 38.479 39.000 0.017 0.000 1.013 319 F HN 1.359 nan 8.300 nan 0.000 0.486 320 T N -1.082 113.599 114.554 0.212 0.000 3.967 320 T HA -0.061 4.283 4.350 -0.009 0.000 0.366 320 T C 0.669 175.459 174.700 0.150 0.000 0.759 320 T CA 0.741 62.921 62.100 0.133 0.000 1.971 320 T CB -1.949 66.975 68.868 0.093 0.000 1.806 320 T HN 1.442 nan 8.240 nan 0.000 0.825 321 G N 2.561 111.447 108.800 0.144 0.000 2.574 321 G HA2 -0.345 3.609 3.960 -0.009 0.000 0.301 321 G HA3 -0.345 3.609 3.960 -0.009 0.000 0.301 321 G C 0.050 175.002 174.900 0.085 0.000 1.166 321 G CA 0.317 45.507 45.100 0.151 0.000 0.971 321 G HN 1.502 nan 8.290 nan 0.000 0.542 322 R N 2.351 122.898 120.500 0.079 0.000 2.608 322 R HA 0.400 4.734 4.340 -0.009 0.000 0.277 322 R C 1.549 177.876 176.300 0.045 0.000 1.341 322 R CA -0.016 56.112 56.100 0.046 0.000 1.199 322 R CB 0.112 30.430 30.300 0.031 0.000 1.156 322 R HN 0.586 nan 8.270 nan 0.000 0.558 323 L N 0.855 122.102 121.223 0.040 0.000 2.027 323 L HA 0.042 4.376 4.340 -0.009 0.000 0.206 323 L C 1.377 178.265 176.870 0.030 0.000 1.074 323 L CA 1.457 56.319 54.840 0.036 0.000 0.745 323 L CB -0.227 41.850 42.059 0.029 0.000 0.898 323 L HN 0.461 nan 8.230 nan 0.000 0.433 324 M N -0.210 119.404 119.600 0.023 0.000 3.951 324 M HA 0.233 4.707 4.480 -0.009 0.000 0.444 324 M C -0.557 175.750 176.300 0.011 0.000 1.957 324 M CA -0.211 55.102 55.300 0.021 0.000 0.521 324 M CB 1.436 34.047 32.600 0.018 0.000 1.436 324 M HN -0.106 nan 8.290 nan 0.000 0.525 325 K N -0.480 119.923 120.400 0.006 0.000 2.230 325 K HA 0.382 4.697 4.320 -0.009 0.000 0.253 325 K C 1.239 177.830 176.600 -0.015 0.000 1.008 325 K CA 0.608 56.891 56.287 -0.007 0.000 0.910 325 K CB 0.799 33.288 32.500 -0.018 0.000 0.994 325 K HN 0.437 nan 8.250 nan 0.000 0.495 326 G N 1.471 110.257 108.800 -0.023 0.000 2.838 326 G HA2 -0.070 3.885 3.960 -0.009 0.000 0.210 326 G HA3 -0.070 3.885 3.960 -0.009 0.000 0.210 326 G C 0.206 175.069 174.900 -0.063 0.000 1.153 326 G CA 0.068 45.150 45.100 -0.031 0.000 0.778 326 G HN 0.628 nan 8.290 nan 0.000 0.539 327 R N 0.600 121.057 120.500 -0.072 0.000 2.738 327 R HA 0.451 4.786 4.340 -0.009 0.000 0.268 327 R C 0.160 176.350 176.300 -0.182 0.000 1.062 327 R CA -0.372 55.662 56.100 -0.109 0.000 1.158 327 R CB 0.438 30.686 30.300 -0.087 0.000 1.046 327 R HN 0.268 nan 8.270 nan 0.000 0.493 328 R N 1.492 121.844 120.500 -0.247 0.000 2.836 328 R HA 0.271 4.606 4.340 -0.009 0.000 0.269 328 R C -1.184 174.992 176.300 -0.206 0.000 1.010 328 R CA -1.032 54.835 56.100 -0.388 0.000 0.930 328 R CB 0.469 30.202 30.300 -0.945 0.000 1.218 328 R HN 0.459 nan 8.270 nan 0.000 0.473 329 Y N 0.942 121.333 120.300 0.151 0.000 2.550 329 Y HA 0.080 4.625 4.550 -0.008 0.000 0.343 329 Y C 1.303 177.237 175.900 0.057 0.000 1.245 329 Y CA 0.543 58.720 58.100 0.128 0.000 1.462 329 Y CB 0.654 39.212 38.460 0.163 0.000 1.340 329 Y HN 0.778 nan 8.280 nan 0.000 0.604 330 S N -0.290 115.540 115.700 0.217 0.000 2.745 330 S HA 0.415 4.879 4.470 -0.009 0.000 0.292 330 S C -0.245 174.429 174.600 0.124 0.000 1.127 330 S CA -0.531 57.743 58.200 0.123 0.000 1.007 330 S CB 1.162 64.412 63.200 0.083 0.000 1.165 330 S HN 0.762 nan 8.310 nan 0.000 0.544 331 E N -0.524 119.738 120.200 0.103 0.000 2.637 331 E HA -0.211 4.133 4.350 -0.009 0.000 0.265 331 E C 0.868 177.579 176.600 0.184 0.000 1.073 331 E CA 0.403 56.888 56.400 0.141 0.000 0.778 331 E CB -2.383 27.412 29.700 0.159 0.000 1.362 331 E HN 1.563 nan 8.360 nan 0.000 0.413 332 G N -0.018 108.866 108.800 0.140 0.000 2.189 332 G HA2 -0.405 3.549 3.960 -0.009 0.000 0.267 332 G HA3 -0.405 3.549 3.960 -0.009 0.000 0.267 332 G C 0.785 175.727 174.900 0.070 0.000 0.975 332 G CA 0.750 45.933 45.100 0.139 0.000 0.644 332 G HN 0.383 nan 8.290 nan 0.000 0.537 333 L N 0.117 121.370 121.223 0.049 0.000 2.083 333 L HA 0.139 4.473 4.340 -0.009 0.000 0.209 333 L C 2.252 179.100 176.870 -0.037 0.000 1.083 333 L CA 3.037 57.856 54.840 -0.036 0.000 0.752 333 L CB -0.614 41.392 42.059 -0.088 0.000 0.899 333 L HN 0.447 nan 8.230 nan 0.000 0.433 334 H N -0.955 118.112 119.070 -0.005 0.000 2.321 334 H HA -0.160 4.390 4.556 -0.009 0.000 0.300 334 H C 2.229 177.495 175.328 -0.104 0.000 1.087 334 H CA 2.143 58.194 56.048 0.005 0.000 1.319 334 H CB 0.161 29.952 29.762 0.048 0.000 1.379 334 H HN 0.404 nan 8.280 nan 0.000 0.501 335 Q N -0.264 119.502 119.800 -0.056 0.000 2.119 335 Q HA -0.022 4.312 4.340 -0.009 0.000 0.201 335 Q C 2.418 178.288 176.000 -0.217 0.000 0.972 335 Q CA 1.273 56.905 55.803 -0.284 0.000 0.847 335 Q CB -0.176 28.078 28.738 -0.806 0.000 0.903 335 Q HN 0.562 nan 8.270 nan 0.000 0.433 336 A N 0.362 123.126 122.820 -0.094 0.000 1.972 336 A HA -0.162 4.153 4.320 -0.009 0.000 0.219 336 A C 1.998 179.537 177.584 -0.074 0.000 1.169 336 A CA 1.173 53.213 52.037 0.004 0.000 0.635 336 A CB -0.594 18.416 19.000 0.018 0.000 0.810 336 A HN 0.366 nan 8.150 nan 0.000 0.446 337 I N -0.897 119.554 120.570 -0.198 0.000 2.406 337 I HA -0.190 3.974 4.170 -0.009 0.000 0.249 337 I C 2.375 178.361 176.117 -0.218 0.000 1.122 337 I CA 1.251 62.368 61.300 -0.306 0.000 1.431 337 I CB -0.485 37.178 38.000 -0.561 0.000 1.087 337 I HN 0.403 nan 8.210 nan 0.000 0.424 338 E N 1.223 121.315 120.200 -0.180 0.000 2.110 338 E HA -0.201 4.144 4.350 -0.009 0.000 0.193 338 E C 2.324 178.896 176.600 -0.047 0.000 0.988 338 E CA 1.344 57.682 56.400 -0.103 0.000 0.804 338 E CB -0.141 29.509 29.700 -0.084 0.000 0.745 338 E HN 0.495 nan 8.360 nan 0.000 0.458 339 A N 1.625 124.430 122.820 -0.025 0.000 1.930 339 A HA -0.206 4.109 4.320 -0.009 0.000 0.217 339 A C 2.064 179.685 177.584 0.062 0.000 1.175 339 A CA 1.492 53.557 52.037 0.046 0.000 0.627 339 A CB -0.336 18.731 19.000 0.111 0.000 0.815 339 A HN 0.083 nan 8.150 nan 0.000 0.443 340 K N -0.506 119.913 120.400 0.031 0.000 2.057 340 K HA -0.167 4.147 4.320 -0.009 0.000 0.207 340 K C 1.260 177.836 176.600 -0.039 0.000 1.049 340 K CA 1.650 57.928 56.287 -0.015 0.000 0.931 340 K CB -0.111 32.210 32.500 -0.298 0.000 0.714 340 K HN 0.221 nan 8.250 nan 0.000 0.440 341 E N -0.311 119.862 120.200 -0.044 0.000 2.502 341 E HA 0.067 4.412 4.350 -0.009 0.000 0.194 341 E C 0.738 177.342 176.600 0.008 0.000 1.062 341 E CA 0.633 57.027 56.400 -0.011 0.000 0.867 341 E CB 0.082 29.781 29.700 -0.002 0.000 0.888 341 E HN 0.596 nan 8.360 nan 0.000 0.510 342 G N 0.136 108.946 108.800 0.016 0.000 2.186 342 G HA2 -0.320 3.635 3.960 -0.009 0.000 0.266 342 G HA3 -0.320 3.635 3.960 -0.009 0.000 0.266 342 G C 0.277 175.189 174.900 0.021 0.000 0.982 342 G CA 0.640 45.755 45.100 0.026 0.000 0.670 342 G HN 0.198 nan 8.290 nan 0.000 0.533 343 L N 0.451 121.681 121.223 0.012 0.000 2.470 343 L HA 0.409 4.743 4.340 -0.009 0.000 0.243 343 L C 1.181 178.058 176.870 0.012 0.000 1.227 343 L CA -0.246 54.601 54.840 0.012 0.000 0.824 343 L CB 0.310 42.373 42.059 0.006 0.000 1.175 343 L HN 0.387 nan 8.230 nan 0.000 0.503 344 E N 1.163 121.372 120.200 0.014 0.000 2.324 344 E HA 0.071 4.415 4.350 -0.009 0.000 0.271 344 E C -0.773 175.829 176.600 0.003 0.000 1.028 344 E CA -0.687 55.722 56.400 0.015 0.000 0.890 344 E CB 0.535 30.246 29.700 0.018 0.000 1.004 344 E HN 0.245 nan 8.360 nan 0.000 0.431 345 I N 5.006 125.575 120.570 -0.003 0.000 2.494 345 I HA -0.044 4.121 4.170 -0.009 0.000 0.289 345 I C 0.658 176.758 176.117 -0.028 0.000 1.106 345 I CA 0.540 61.815 61.300 -0.043 0.000 1.369 345 I CB 0.100 38.070 38.000 -0.049 0.000 1.410 345 I HN 0.560 nan 8.210 nan 0.000 0.523 346 Q N 6.776 126.558 119.800 -0.029 0.000 2.296 346 Q HA 0.122 4.456 4.340 -0.009 0.000 0.263 346 Q C 0.441 176.431 176.000 -0.016 0.000 1.026 346 Q CA -0.189 55.608 55.803 -0.009 0.000 0.912 346 Q CB 0.849 29.590 28.738 0.004 0.000 1.198 346 Q HN 0.641 nan 8.270 nan 0.000 0.407 347 N N 2.425 121.131 118.700 0.009 0.000 2.399 347 N HA 0.125 4.860 4.740 -0.009 0.000 0.250 347 N C -0.545 174.982 175.510 0.029 0.000 1.272 347 N CA -0.355 52.714 53.050 0.031 0.000 0.928 347 N CB 0.923 39.438 38.487 0.046 0.000 1.158 347 N HN 0.473 nan 8.380 nan 0.000 0.463 348 E N -0.045 120.185 120.200 0.050 0.000 2.308 348 E HA 0.208 4.552 4.350 -0.009 0.000 0.275 348 E C -1.154 175.479 176.600 0.055 0.000 0.890 348 E CA -0.873 55.554 56.400 0.044 0.000 0.754 348 E CB 1.412 31.138 29.700 0.044 0.000 1.207 348 E HN 0.661 nan 8.360 nan 0.000 0.426 349 S N 2.292 118.018 115.700 0.043 0.000 2.600 349 S HA 0.416 4.880 4.470 -0.009 0.000 0.265 349 S C 0.486 175.113 174.600 0.045 0.000 1.325 349 S CA -0.768 57.458 58.200 0.043 0.000 1.002 349 S CB 0.637 63.858 63.200 0.034 0.000 0.921 349 S HN 0.678 nan 8.310 nan 0.000 0.554 350 M N 1.375 121.000 119.600 0.042 0.000 2.274 350 M HA 0.296 4.770 4.480 -0.009 0.000 0.344 350 M C -0.321 175.999 176.300 0.033 0.000 1.161 350 M CA 0.193 55.515 55.300 0.036 0.000 1.126 350 M CB 1.113 33.733 32.600 0.033 0.000 1.522 350 M HN 0.728 nan 8.290 nan 0.000 0.461 351 T N 5.376 119.943 114.554 0.021 0.000 2.749 351 T HA 0.319 4.664 4.350 -0.009 0.000 0.295 351 T C 1.107 175.824 174.700 0.029 0.000 0.936 351 T CA -0.318 61.798 62.100 0.026 0.000 1.060 351 T CB 0.302 69.174 68.868 0.007 0.000 0.904 351 T HN 0.606 nan 8.240 nan 0.000 0.500 352 L N 1.905 123.172 121.223 0.074 0.000 2.408 352 L HA 0.464 4.798 4.340 -0.009 0.000 0.215 352 L C 1.070 178.069 176.870 0.216 0.000 1.081 352 L CA 0.039 54.951 54.840 0.121 0.000 0.840 352 L CB 0.058 42.185 42.059 0.114 0.000 1.002 352 L HN 0.630 nan 8.230 nan 0.000 0.468 353 A N -0.848 122.096 122.820 0.206 0.000 2.540 353 A HA 0.634 4.948 4.320 -0.009 0.000 0.297 353 A C -0.838 176.883 177.584 0.228 0.000 1.056 353 A CA -0.250 51.974 52.037 0.313 0.000 0.700 353 A CB 1.830 21.014 19.000 0.307 0.000 1.280 353 A HN -0.129 nan 8.150 nan 0.000 0.398 354 T N 1.413 116.115 114.554 0.247 0.000 2.956 354 T HA 0.724 5.068 4.350 -0.009 0.000 0.312 354 T C -1.554 173.233 174.700 0.145 0.000 1.151 354 T CA -0.216 61.971 62.100 0.145 0.000 1.024 354 T CB 0.853 69.769 68.868 0.081 0.000 1.140 354 T HN 1.238 nan 8.240 nan 0.000 0.473 355 I N 2.798 123.396 120.570 0.048 0.000 2.908 355 I HA 0.584 4.748 4.170 -0.009 0.000 0.300 355 I C -0.211 175.839 176.117 -0.113 0.000 1.385 355 I CA -0.576 60.739 61.300 0.024 0.000 1.004 355 I CB 2.467 40.523 38.000 0.094 0.000 1.309 355 I HN 0.820 nan 8.210 nan 0.000 0.449 356 T N 1.451 115.969 114.554 -0.060 0.000 2.912 356 T HA 0.418 4.763 4.350 -0.009 0.000 0.280 356 T C 0.830 175.492 174.700 -0.063 0.000 0.989 356 T CA -0.262 61.781 62.100 -0.096 0.000 0.995 356 T CB 0.969 69.868 68.868 0.052 0.000 1.077 356 T HN 0.431 nan 8.240 nan 0.000 0.531 357 F N 0.208 120.260 119.950 0.170 0.000 2.146 357 F HA -0.063 4.458 4.527 -0.009 0.000 0.298 357 F C 3.078 179.130 175.800 0.421 0.000 1.096 357 F CA 1.124 59.306 58.000 0.304 0.000 1.275 357 F CB -0.207 39.007 39.000 0.356 0.000 1.008 357 F HN 0.603 nan 8.300 nan 0.000 0.480 358 Q N 0.998 121.105 119.800 0.512 0.000 2.077 358 Q HA -0.245 4.089 4.340 -0.009 0.000 0.206 358 Q C 1.748 177.954 176.000 0.344 0.000 0.989 358 Q CA 1.841 57.923 55.803 0.465 0.000 0.853 358 Q CB -0.386 28.514 28.738 0.271 0.000 0.907 358 Q HN 0.357 nan 8.270 nan 0.000 0.418 359 N N -0.327 118.504 118.700 0.219 0.000 2.270 359 N HA -0.134 4.601 4.740 -0.009 0.000 0.181 359 N C 1.522 177.081 175.510 0.082 0.000 1.016 359 N CA 0.978 54.105 53.050 0.128 0.000 0.870 359 N CB -0.533 38.007 38.487 0.089 0.000 0.979 359 N HN 0.345 nan 8.380 nan 0.000 0.431 360 Y N 0.325 120.601 120.300 -0.040 0.000 2.163 360 Y HA -0.039 4.506 4.550 -0.009 0.000 0.288 360 Y C 1.762 177.583 175.900 -0.132 0.000 1.136 360 Y CA 1.396 59.353 58.100 -0.239 0.000 1.147 360 Y CB -0.617 37.618 38.460 -0.376 0.000 0.987 360 Y HN -0.080 nan 8.280 nan 0.000 0.509 361 F N 0.539 120.545 119.950 0.094 0.000 2.456 361 F HA -0.015 4.506 4.527 -0.010 0.000 0.298 361 F C 2.491 178.373 175.800 0.138 0.000 1.104 361 F CA 1.088 59.146 58.000 0.096 0.000 1.435 361 F CB -0.279 38.797 39.000 0.127 0.000 1.078 361 F HN -0.001 nan 8.300 nan 0.000 0.546 362 R N 0.579 121.243 120.500 0.274 0.000 2.285 362 R HA -0.112 4.223 4.340 -0.009 0.000 0.213 362 R C 1.557 177.903 176.300 0.076 0.000 1.068 362 R CA 1.093 57.318 56.100 0.207 0.000 1.004 362 R CB -0.337 30.066 30.300 0.172 0.000 0.873 362 R HN 0.296 nan 8.270 nan 0.000 0.467 363 M N -0.125 119.442 119.600 -0.055 0.000 2.506 363 M HA 0.056 4.530 4.480 -0.009 0.000 0.260 363 M C -0.230 175.972 176.300 -0.163 0.000 1.104 363 M CA 0.304 55.501 55.300 -0.172 0.000 1.112 363 M CB 0.171 32.543 32.600 -0.381 0.000 1.401 363 M HN -0.003 nan 8.290 nan 0.000 0.473 364 Y N 1.182 121.404 120.300 -0.130 0.000 2.578 364 Y HA -0.121 4.423 4.550 -0.009 0.000 0.339 364 Y C 1.616 177.496 175.900 -0.032 0.000 1.231 364 Y CA 0.513 58.573 58.100 -0.067 0.000 1.461 364 Y CB 0.240 38.694 38.460 -0.010 0.000 1.323 364 Y HN 0.159 nan 8.280 nan 0.000 0.590 365 E N 1.635 121.893 120.200 0.096 0.000 2.150 365 E HA -0.140 4.205 4.350 -0.009 0.000 0.193 365 E C 0.037 176.649 176.600 0.019 0.000 0.985 365 E CA 0.938 57.360 56.400 0.037 0.000 0.814 365 E CB 0.256 29.970 29.700 0.023 0.000 0.752 365 E HN 0.528 nan 8.360 nan 0.000 0.466 366 K N 0.012 120.446 120.400 0.056 0.000 2.498 366 K HA 0.385 4.699 4.320 -0.009 0.000 0.254 366 K C -2.018 174.716 176.600 0.225 0.000 0.933 366 K CA -0.826 55.476 56.287 0.026 0.000 0.806 366 K CB 1.518 33.851 32.500 -0.279 0.000 1.301 366 K HN -0.004 nan 8.250 nan 0.000 0.432 367 L N 2.385 123.702 121.223 0.157 0.000 2.408 367 L HA 0.810 5.144 4.340 -0.009 0.000 0.268 367 L C -1.583 175.331 176.870 0.074 0.000 0.986 367 L CA -0.176 54.706 54.840 0.069 0.000 0.820 367 L CB 1.931 43.997 42.059 0.012 0.000 1.303 367 L HN 0.832 nan 8.230 nan 0.000 0.411 368 A N 2.182 124.976 122.820 -0.043 0.000 2.594 368 A HA 1.007 5.322 4.320 -0.009 0.000 0.291 368 A C -0.805 176.645 177.584 -0.223 0.000 1.105 368 A CA -0.030 51.965 52.037 -0.071 0.000 0.694 368 A CB 1.838 20.890 19.000 0.087 0.000 1.291 368 A HN 1.040 nan 8.150 nan 0.000 0.410 369 G N -0.144 108.523 108.800 -0.221 0.000 2.720 369 G HA2 0.698 4.652 3.960 -0.009 0.000 0.295 369 G HA3 0.698 4.652 3.960 -0.009 0.000 0.295 369 G C -0.924 173.839 174.900 -0.229 0.000 1.437 369 G CA -0.234 44.707 45.100 -0.264 0.000 0.886 369 G HN 1.466 nan 8.290 nan 0.000 0.509 370 M N -0.024 119.460 119.600 -0.194 0.000 2.501 370 M HA 0.895 5.369 4.480 -0.009 0.000 0.293 370 M C -0.919 175.303 176.300 -0.130 0.000 1.192 370 M CA -0.839 54.369 55.300 -0.152 0.000 0.886 370 M CB 2.437 34.972 32.600 -0.108 0.000 1.710 370 M HN 0.761 nan 8.290 nan 0.000 0.457 371 T N -0.040 114.448 114.554 -0.111 0.000 2.831 371 T HA 0.476 4.820 4.350 -0.009 0.000 0.333 371 T C 0.438 175.101 174.700 -0.061 0.000 1.684 371 T CA 0.137 62.191 62.100 -0.077 0.000 1.049 371 T CB 1.456 70.284 68.868 -0.067 0.000 1.518 371 T HN 0.979 nan 8.240 nan 0.000 0.491 372 G N 0.972 109.749 108.800 -0.038 0.000 2.534 372 G HA2 0.271 4.226 3.960 -0.009 0.000 0.217 372 G HA3 0.271 4.226 3.960 -0.009 0.000 0.217 372 G C 0.499 175.386 174.900 -0.022 0.000 1.128 372 G CA 1.051 46.134 45.100 -0.028 0.000 0.784 372 G HN 1.281 nan 8.290 nan 0.000 0.542 373 T N -3.986 110.558 114.554 -0.015 0.000 3.187 373 T HA 0.681 5.026 4.350 -0.009 0.000 0.328 373 T C -0.080 174.639 174.700 0.031 0.000 0.951 373 T CA 0.086 62.187 62.100 0.002 0.000 1.049 373 T CB 1.573 70.445 68.868 0.007 0.000 1.015 373 T HN 0.392 nan 8.240 nan 0.000 0.461 374 A N 2.479 125.317 122.820 0.031 0.000 2.480 374 A HA 0.370 4.684 4.320 -0.009 0.000 0.191 374 A C 1.894 179.536 177.584 0.097 0.000 1.503 374 A CA -0.227 51.874 52.037 0.106 0.000 1.110 374 A CB 0.047 19.028 19.000 -0.032 0.000 1.401 374 A HN 0.502 nan 8.150 nan 0.000 0.533 375 K N 1.140 121.557 120.400 0.029 0.000 2.057 375 K HA -0.129 4.185 4.320 -0.009 0.000 0.207 375 K C 2.009 178.617 176.600 0.013 0.000 1.049 375 K CA 2.160 58.455 56.287 0.013 0.000 0.931 375 K CB -0.607 31.889 32.500 -0.007 0.000 0.714 375 K HN 0.625 nan 8.250 nan 0.000 0.440 376 T N -0.703 113.855 114.554 0.007 0.000 3.077 376 T HA -0.031 4.313 4.350 -0.009 0.000 0.269 376 T C 0.881 175.555 174.700 -0.043 0.000 1.146 376 T CA 0.819 62.908 62.100 -0.017 0.000 1.091 376 T CB 0.056 68.913 68.868 -0.018 0.000 0.892 376 T HN 0.107 nan 8.240 nan 0.000 0.533 377 E N 0.301 120.499 120.200 -0.004 0.000 2.603 377 E HA 0.180 4.525 4.350 -0.009 0.000 0.211 377 E C 1.385 177.995 176.600 0.018 0.000 0.995 377 E CA -0.118 56.242 56.400 -0.067 0.000 0.990 377 E CB 0.284 29.939 29.700 -0.074 0.000 1.036 377 E HN 0.716 nan 8.360 nan 0.000 0.475 378 E N 1.898 122.127 120.200 0.048 0.000 2.086 378 E HA -0.286 4.058 4.350 -0.009 0.000 0.200 378 E C 1.833 178.450 176.600 0.028 0.000 1.012 378 E CA 1.717 58.166 56.400 0.082 0.000 0.812 378 E CB 0.184 29.896 29.700 0.021 0.000 0.743 378 E HN 0.268 nan 8.360 nan 0.000 0.453 379 E N 0.096 120.219 120.200 -0.128 0.000 2.072 379 E HA -0.240 4.104 4.350 -0.009 0.000 0.191 379 E C 2.017 178.461 176.600 -0.260 0.000 0.985 379 E CA 1.323 57.607 56.400 -0.192 0.000 0.801 379 E CB -0.017 29.500 29.700 -0.305 0.000 0.750 379 E HN 0.274 nan 8.360 nan 0.000 0.452 380 E N -0.530 119.361 120.200 -0.515 0.000 2.077 380 E HA -0.189 4.156 4.350 -0.009 0.000 0.193 380 E C 1.670 178.219 176.600 -0.085 0.000 0.989 380 E CA 1.399 57.566 56.400 -0.388 0.000 0.800 380 E CB -0.164 29.247 29.700 -0.483 0.000 0.746 380 E HN 0.321 nan 8.360 nan 0.000 0.452 381 F N 0.179 120.153 119.950 0.041 0.000 2.186 381 F HA -0.096 4.425 4.527 -0.010 0.000 0.299 381 F C 2.652 178.538 175.800 0.143 0.000 1.090 381 F CA 1.180 59.280 58.000 0.166 0.000 1.307 381 F CB -0.056 38.991 39.000 0.077 0.000 1.019 381 F HN -0.033 nan 8.300 nan 0.000 0.489 382 R N 0.622 121.268 120.500 0.243 0.000 2.062 382 R HA -0.191 4.144 4.340 -0.009 0.000 0.231 382 R C 2.053 178.433 176.300 0.133 0.000 1.136 382 R CA 1.941 58.138 56.100 0.162 0.000 0.948 382 R CB -0.524 29.839 30.300 0.105 0.000 0.845 382 R HN 0.243 nan 8.270 nan 0.000 0.430 383 N N 0.051 118.830 118.700 0.131 0.000 2.058 383 N HA -0.153 4.582 4.740 -0.009 0.000 0.191 383 N C 1.754 177.290 175.510 0.043 0.000 1.037 383 N CA 2.063 55.188 53.050 0.125 0.000 0.848 383 N CB -0.088 38.554 38.487 0.259 0.000 1.021 383 N HN 0.251 nan 8.380 nan 0.000 0.422 384 I N -1.513 119.044 120.570 -0.023 0.000 2.286 384 I HA -0.170 3.995 4.170 -0.009 0.000 0.245 384 I C 0.904 176.782 176.117 -0.398 0.000 1.104 384 I CA 1.007 62.133 61.300 -0.291 0.000 1.397 384 I CB -0.083 37.580 38.000 -0.561 0.000 1.072 384 I HN 0.247 nan 8.210 nan 0.000 0.417 385 Y N -0.741 119.632 120.300 0.122 0.000 2.500 385 Y HA 0.237 4.782 4.550 -0.009 0.000 0.246 385 Y C 0.659 176.620 175.900 0.102 0.000 1.146 385 Y CA -0.354 57.822 58.100 0.126 0.000 1.230 385 Y CB -0.005 38.562 38.460 0.178 0.000 1.214 385 Y HN 0.126 nan 8.280 nan 0.000 0.526 386 N N 1.618 120.436 118.700 0.197 0.000 2.705 386 N HA -0.207 4.527 4.740 -0.009 0.000 0.255 386 N C -0.977 174.618 175.510 0.142 0.000 1.008 386 N CA 0.119 53.252 53.050 0.139 0.000 0.742 386 N CB -0.767 37.776 38.487 0.094 0.000 0.906 386 N HN 0.311 nan 8.380 nan 0.000 0.541 387 M N 1.310 121.017 119.600 0.178 0.000 2.395 387 M HA 0.232 4.706 4.480 -0.009 0.000 0.307 387 M C -0.354 175.989 176.300 0.070 0.000 1.091 387 M CA -0.670 54.693 55.300 0.105 0.000 0.919 387 M CB 2.155 34.806 32.600 0.085 0.000 1.662 387 M HN 0.049 nan 8.290 nan 0.000 0.440 388 Q N 1.385 121.194 119.800 0.017 0.000 2.259 388 Q HA 0.412 4.746 4.340 -0.009 0.000 0.249 388 Q C -0.937 175.018 176.000 -0.076 0.000 0.914 388 Q CA -0.077 55.726 55.803 -0.001 0.000 0.904 388 Q CB 1.524 30.272 28.738 0.016 0.000 1.213 388 Q HN 0.517 nan 8.270 nan 0.000 0.428 389 V N 3.845 123.714 119.914 -0.075 0.000 2.353 389 V HA 0.205 4.319 4.120 -0.009 0.000 0.264 389 V C -0.570 175.460 176.094 -0.106 0.000 1.049 389 V CA -0.516 61.703 62.300 -0.136 0.000 0.896 389 V CB 0.945 32.710 31.823 -0.096 0.000 1.025 389 V HN 0.500 nan 8.190 nan 0.000 0.475 390 V N 4.689 124.513 119.914 -0.149 0.000 2.348 390 V HA 0.261 4.375 4.120 -0.009 0.000 0.270 390 V C 0.696 176.676 176.094 -0.190 0.000 1.037 390 V CA -0.248 61.941 62.300 -0.186 0.000 0.872 390 V CB 1.525 33.159 31.823 -0.315 0.000 1.002 390 V HN 0.925 nan 8.190 nan 0.000 0.464 391 T N 6.214 120.683 114.554 -0.142 0.000 2.729 391 T HA 0.548 4.892 4.350 -0.009 0.000 0.296 391 T C -0.474 174.150 174.700 -0.127 0.000 0.928 391 T CA -0.286 61.745 62.100 -0.115 0.000 1.045 391 T CB -0.021 68.804 68.868 -0.072 0.000 0.902 391 T HN 0.296 nan 8.240 nan 0.000 0.500 392 I N 7.987 128.481 120.570 -0.125 0.000 2.353 392 I HA 0.394 4.559 4.170 -0.009 0.000 0.293 392 I C -1.842 174.231 176.117 -0.073 0.000 0.992 392 I CA -2.391 58.840 61.300 -0.115 0.000 1.268 392 I CB 1.314 39.244 38.000 -0.117 0.000 1.387 392 I HN 0.552 nan 8.210 nan 0.000 0.478 393 P HA 0.121 nan 4.420 nan 0.000 0.268 393 P C -0.442 176.828 177.300 -0.051 0.000 1.208 393 P CA -0.372 62.702 63.100 -0.043 0.000 0.777 393 P CB 0.117 31.800 31.700 -0.029 0.000 0.875 394 T N -1.668 112.854 114.554 -0.054 0.000 2.860 394 T HA 0.057 4.401 4.350 -0.009 0.000 0.299 394 T C 1.189 175.832 174.700 -0.095 0.000 1.045 394 T CA -0.498 61.559 62.100 -0.072 0.000 1.071 394 T CB 0.425 69.253 68.868 -0.066 0.000 0.985 394 T HN 0.394 nan 8.240 nan 0.000 0.537 395 N N 0.354 118.962 118.700 -0.153 0.000 2.216 395 N HA -0.058 4.676 4.740 -0.009 0.000 0.183 395 N C 0.691 176.091 175.510 -0.184 0.000 1.017 395 N CA 0.542 53.458 53.050 -0.225 0.000 0.861 395 N CB 0.202 38.399 38.487 -0.483 0.000 0.986 395 N HN 0.513 nan 8.380 nan 0.000 0.428 396 R N 0.406 120.812 120.500 -0.156 0.000 2.740 396 R HA 0.413 4.748 4.340 -0.009 0.000 0.282 396 R C -2.629 173.628 176.300 -0.072 0.000 0.969 396 R CA -1.872 54.162 56.100 -0.109 0.000 0.918 396 R CB 1.946 32.178 30.300 -0.113 0.000 1.175 396 R HN -0.066 nan 8.270 nan 0.000 0.464 397 P HA -0.060 nan 4.420 nan 0.000 0.265 397 P C -0.962 176.318 177.300 -0.032 0.000 1.187 397 P CA -0.079 63.000 63.100 -0.036 0.000 0.766 397 P CB 0.482 32.166 31.700 -0.026 0.000 0.820 398 V N 4.311 124.210 119.914 -0.025 0.000 2.389 398 V HA 0.034 4.149 4.120 -0.009 0.000 0.264 398 V C 1.458 177.546 176.094 -0.011 0.000 1.049 398 V CA 0.151 62.440 62.300 -0.019 0.000 0.932 398 V CB 0.821 32.636 31.823 -0.014 0.000 1.011 398 V HN 0.485 nan 8.190 nan 0.000 0.475 399 V N 2.270 122.179 119.914 -0.009 0.000 3.660 399 V HA 0.302 4.416 4.120 -0.009 0.000 0.276 399 V C 1.128 177.223 176.094 0.001 0.000 1.317 399 V CA -0.130 62.167 62.300 -0.005 0.000 1.097 399 V CB -0.507 31.312 31.823 -0.006 0.000 0.863 399 V HN 0.737 nan 8.190 nan 0.000 0.438 400 R N 2.154 122.656 120.500 0.003 0.000 2.523 400 R HA -0.056 4.278 4.340 -0.009 0.000 0.281 400 R C -0.334 175.974 176.300 0.014 0.000 0.969 400 R CA 0.615 56.721 56.100 0.009 0.000 1.093 400 R CB 0.059 30.367 30.300 0.013 0.000 0.917 400 R HN 0.530 nan 8.270 nan 0.000 0.408 401 D N 3.083 123.493 120.400 0.016 0.000 2.380 401 D HA 0.076 4.711 4.640 -0.009 0.000 0.230 401 D C -1.130 175.188 176.300 0.029 0.000 1.154 401 D CA -0.233 53.778 54.000 0.019 0.000 0.859 401 D CB 0.682 41.490 40.800 0.014 0.000 1.045 401 D HN 0.329 nan 8.370 nan 0.000 0.495 402 D N 4.050 124.473 120.400 0.037 0.000 2.412 402 D HA 0.201 4.835 4.640 -0.009 0.000 0.224 402 D C 0.358 176.691 176.300 0.055 0.000 1.093 402 D CA -0.296 53.740 54.000 0.061 0.000 0.850 402 D CB 0.897 41.739 40.800 0.071 0.000 1.046 402 D HN 0.309 nan 8.370 nan 0.000 0.507 403 R N 2.414 122.949 120.500 0.057 0.000 2.459 403 R HA 0.374 4.708 4.340 -0.009 0.000 0.281 403 R C -2.070 174.255 176.300 0.042 0.000 1.050 403 R CA -1.503 54.617 56.100 0.034 0.000 1.055 403 R CB 0.566 30.875 30.300 0.014 0.000 1.045 403 R HN 0.198 nan 8.270 nan 0.000 0.495 404 P HA -0.044 nan 4.420 nan 0.000 0.268 404 P C -0.819 176.478 177.300 -0.004 0.000 1.208 404 P CA 0.002 63.103 63.100 0.003 0.000 0.777 404 P CB 0.420 32.109 31.700 -0.018 0.000 0.875 405 D N 1.019 121.421 120.400 0.003 0.000 2.400 405 D HA 0.117 4.752 4.640 -0.009 0.000 0.238 405 D C 0.305 176.565 176.300 -0.067 0.000 1.157 405 D CA 0.410 54.411 54.000 0.001 0.000 0.889 405 D CB 0.238 41.048 40.800 0.017 0.000 1.199 405 D HN 0.227 nan 8.370 nan 0.000 0.436 406 L N 1.783 122.933 121.223 -0.123 0.000 2.295 406 L HA 0.452 4.786 4.340 -0.009 0.000 0.285 406 L C -0.011 176.829 176.870 -0.051 0.000 1.035 406 L CA -0.582 54.162 54.840 -0.160 0.000 0.806 406 L CB 1.128 43.018 42.059 -0.282 0.000 1.214 406 L HN 0.163 nan 8.230 nan 0.000 0.426 407 I N 2.791 123.286 120.570 -0.124 0.000 2.406 407 I HA 0.371 4.535 4.170 -0.009 0.000 0.290 407 I C -0.926 175.084 176.117 -0.178 0.000 0.999 407 I CA -0.406 60.862 61.300 -0.054 0.000 1.124 407 I CB 1.422 39.393 38.000 -0.048 0.000 1.289 407 I HN 0.398 nan 8.210 nan 0.000 0.441 408 Y N 3.717 124.017 120.300 0.000 0.000 2.621 408 Y HA 0.407 4.952 4.550 -0.008 0.000 0.334 408 Y C 1.007 176.900 175.900 -0.012 0.000 1.074 408 Y CA -0.680 57.420 58.100 0.001 0.000 1.149 408 Y CB 1.397 39.859 38.460 0.002 0.000 1.302 408 Y HN 0.464 nan 8.280 nan 0.000 0.501 409 R N 0.194 120.788 120.500 0.155 0.000 2.100 409 R HA 0.053 4.388 4.340 -0.009 0.000 0.220 409 R C -0.083 176.251 176.300 0.057 0.000 1.091 409 R CA 1.400 57.546 56.100 0.077 0.000 0.986 409 R CB -0.084 30.250 30.300 0.057 0.000 0.888 409 R HN 0.734 nan 8.270 nan 0.000 0.444 410 T N -3.632 110.957 114.554 0.058 0.000 2.907 410 T HA 0.315 4.659 4.350 -0.009 0.000 0.292 410 T C 0.970 175.621 174.700 -0.082 0.000 1.043 410 T CA -0.885 61.214 62.100 -0.003 0.000 1.003 410 T CB 1.511 70.380 68.868 0.001 0.000 1.084 410 T HN 0.032 nan 8.240 nan 0.000 0.483 411 M N 0.604 120.120 119.600 -0.140 0.000 2.108 411 M HA -0.121 4.354 4.480 -0.009 0.000 0.261 411 M C 2.009 178.103 176.300 -0.343 0.000 1.066 411 M CA 1.895 56.981 55.300 -0.357 0.000 1.107 411 M CB -0.520 31.938 32.600 -0.237 0.000 1.356 411 M HN 0.765 nan 8.290 nan 0.000 0.406 412 E N 0.317 120.469 120.200 -0.079 0.000 2.065 412 E HA -0.181 4.164 4.350 -0.009 0.000 0.201 412 E C 1.956 178.521 176.600 -0.058 0.000 1.016 412 E CA 1.762 58.169 56.400 0.011 0.000 0.818 412 E CB -1.038 28.674 29.700 0.020 0.000 0.749 412 E HN 0.616 nan 8.360 nan 0.000 0.453 413 G N 0.846 109.592 108.800 -0.090 0.000 2.440 413 G HA2 -0.354 3.601 3.960 -0.009 0.000 0.218 413 G HA3 -0.354 3.601 3.960 -0.009 0.000 0.218 413 G C 1.476 176.135 174.900 -0.402 0.000 1.154 413 G CA 1.029 46.056 45.100 -0.121 0.000 0.767 413 G HN 0.180 nan 8.290 nan 0.000 0.552 414 K N -0.162 119.932 120.400 -0.510 0.000 2.026 414 K HA -0.048 4.267 4.320 -0.009 0.000 0.208 414 K C 2.284 178.559 176.600 -0.542 0.000 1.048 414 K CA 1.119 56.970 56.287 -0.728 0.000 0.929 414 K CB -0.352 31.809 32.500 -0.564 0.000 0.713 414 K HN 0.439 nan 8.250 nan 0.000 0.439 415 F N 1.274 121.062 119.950 -0.270 0.000 2.146 415 F HA -0.161 4.362 4.527 -0.007 0.000 0.298 415 F C 2.666 178.315 175.800 -0.252 0.000 1.096 415 F CA 0.583 58.434 58.000 -0.248 0.000 1.275 415 F CB -0.084 38.817 39.000 -0.164 0.000 1.008 415 F HN 0.022 nan 8.300 nan 0.000 0.480 416 K N 1.272 121.649 120.400 -0.037 0.000 2.044 416 K HA -0.228 4.087 4.320 -0.009 0.000 0.210 416 K C 2.160 178.686 176.600 -0.123 0.000 1.049 416 K CA 1.579 57.823 56.287 -0.072 0.000 0.927 416 K CB -0.493 31.973 32.500 -0.056 0.000 0.713 416 K HN 0.257 nan 8.250 nan 0.000 0.443 417 A N 0.637 123.321 122.820 -0.226 0.000 1.930 417 A HA -0.094 4.220 4.320 -0.009 0.000 0.217 417 A C 2.414 179.864 177.584 -0.223 0.000 1.175 417 A CA 1.516 53.459 52.037 -0.157 0.000 0.627 417 A CB -0.583 18.301 19.000 -0.195 0.000 0.815 417 A HN 0.149 nan 8.150 nan 0.000 0.443 418 V N -0.042 119.589 119.914 -0.473 0.000 2.287 418 V HA -0.306 3.808 4.120 -0.009 0.000 0.248 418 V C 3.086 179.024 176.094 -0.259 0.000 1.053 418 V CA 2.132 64.091 62.300 -0.567 0.000 1.027 418 V CB -1.235 30.287 31.823 -0.501 0.000 0.646 418 V HN 0.626 nan 8.190 nan 0.000 0.447 419 A N -0.277 122.438 122.820 -0.175 0.000 1.908 419 A HA -0.273 4.042 4.320 -0.009 0.000 0.218 419 A C 2.191 179.727 177.584 -0.079 0.000 1.181 419 A CA 2.149 54.110 52.037 -0.127 0.000 0.627 419 A CB -0.547 18.387 19.000 -0.109 0.000 0.818 419 A HN 0.564 nan 8.150 nan 0.000 0.445 420 E N 0.427 120.594 120.200 -0.055 0.000 2.077 420 E HA -0.194 4.151 4.350 -0.009 0.000 0.193 420 E C 1.704 178.314 176.600 0.016 0.000 0.989 420 E CA 1.517 57.912 56.400 -0.007 0.000 0.800 420 E CB -0.332 29.377 29.700 0.014 0.000 0.746 420 E HN 0.522 nan 8.360 nan 0.000 0.452 421 D N -0.511 119.899 120.400 0.016 0.000 2.092 421 D HA -0.136 4.498 4.640 -0.009 0.000 0.193 421 D C 1.960 178.279 176.300 0.032 0.000 0.994 421 D CA 1.688 55.721 54.000 0.055 0.000 0.828 421 D CB -0.212 40.650 40.800 0.103 0.000 0.963 421 D HN 0.152 nan 8.370 nan 0.000 0.450 422 V N 1.338 121.244 119.914 -0.014 0.000 2.287 422 V HA -0.255 3.860 4.120 -0.009 0.000 0.248 422 V C 2.731 178.851 176.094 0.044 0.000 1.053 422 V CA 2.015 64.311 62.300 -0.007 0.000 1.027 422 V CB -1.059 30.721 31.823 -0.073 0.000 0.646 422 V HN 0.315 nan 8.190 nan 0.000 0.447 423 A N -0.897 121.939 122.820 0.028 0.000 1.902 423 A HA -0.247 4.068 4.320 -0.009 0.000 0.217 423 A C 2.207 179.869 177.584 0.129 0.000 1.181 423 A CA 1.673 53.759 52.037 0.082 0.000 0.623 423 A CB -0.466 18.558 19.000 0.040 0.000 0.818 423 A HN 0.538 nan 8.150 nan 0.000 0.443 424 Q N -0.281 119.568 119.800 0.082 0.000 2.050 424 Q HA -0.161 4.174 4.340 -0.009 0.000 0.202 424 Q C 2.232 178.273 176.000 0.069 0.000 0.980 424 Q CA 1.721 57.565 55.803 0.069 0.000 0.840 424 Q CB -0.393 28.378 28.738 0.056 0.000 0.898 424 Q HN 0.708 nan 8.270 nan 0.000 0.424 425 R N -0.593 119.953 120.500 0.077 0.000 2.115 425 R HA -0.139 4.195 4.340 -0.009 0.000 0.230 425 R C 2.186 178.536 176.300 0.084 0.000 1.111 425 R CA 1.031 57.170 56.100 0.066 0.000 0.976 425 R CB -0.321 30.016 30.300 0.061 0.000 0.870 425 R HN 0.259 nan 8.270 nan 0.000 0.445 426 Y N 1.183 121.485 120.300 0.003 0.000 2.145 426 Y HA -0.193 4.351 4.550 -0.010 0.000 0.286 426 Y C 2.118 178.021 175.900 0.006 0.000 1.145 426 Y CA 1.445 59.548 58.100 0.004 0.000 1.148 426 Y CB -0.049 38.413 38.460 0.004 0.000 0.981 426 Y HN -0.118 nan 8.280 nan 0.000 0.507 427 M N 0.095 119.655 119.600 -0.066 0.000 2.267 427 M HA -0.163 4.311 4.480 -0.009 0.000 0.263 427 M C 2.055 178.258 176.300 -0.162 0.000 1.063 427 M CA 2.071 57.282 55.300 -0.149 0.000 1.090 427 M CB -1.944 30.652 32.600 -0.006 0.000 1.392 427 M HN 0.543 nan 8.290 nan 0.000 0.422 428 T N -3.476 111.015 114.554 -0.105 0.000 3.088 428 T HA 0.319 4.664 4.350 -0.009 0.000 0.259 428 T C 1.545 176.183 174.700 -0.104 0.000 1.122 428 T CA 0.975 63.027 62.100 -0.080 0.000 1.095 428 T CB -0.044 68.804 68.868 -0.034 0.000 0.930 428 T HN 0.564 nan 8.240 nan 0.000 0.508 429 G N 0.910 109.610 108.800 -0.166 0.000 2.199 429 G HA2 -0.290 3.664 3.960 -0.009 0.000 0.254 429 G HA3 -0.290 3.664 3.960 -0.009 0.000 0.254 429 G C -0.053 174.813 174.900 -0.056 0.000 0.982 429 G CA 0.195 45.210 45.100 -0.141 0.000 0.632 429 G HN 0.891 nan 8.290 nan 0.000 0.529 430 Q N 2.041 121.825 119.800 -0.026 0.000 2.297 430 Q HA 0.407 4.742 4.340 -0.009 0.000 0.267 430 Q C -2.023 173.997 176.000 0.034 0.000 1.006 430 Q CA -1.553 54.253 55.803 0.005 0.000 0.896 430 Q CB 1.018 29.762 28.738 0.010 0.000 1.186 430 Q HN 0.319 nan 8.270 nan 0.000 0.392 431 P HA 0.021 nan 4.420 nan 0.000 0.271 431 P C -1.089 176.237 177.300 0.043 0.000 1.218 431 P CA -0.067 63.062 63.100 0.049 0.000 0.780 431 P CB 0.948 32.669 31.700 0.034 0.000 0.901 432 V N 4.172 124.115 119.914 0.048 0.000 2.577 432 V HA 0.332 4.447 4.120 -0.009 0.000 0.303 432 V C 0.048 176.149 176.094 0.012 0.000 1.042 432 V CA -0.712 61.605 62.300 0.028 0.000 0.872 432 V CB 2.168 34.011 31.823 0.032 0.000 0.998 432 V HN 0.491 nan 8.190 nan 0.000 0.423 433 L N 5.729 126.950 121.223 -0.003 0.000 2.298 433 L HA 0.659 4.994 4.340 -0.009 0.000 0.284 433 L C -1.032 175.819 176.870 -0.032 0.000 1.013 433 L CA -0.479 54.354 54.840 -0.011 0.000 0.824 433 L CB 1.761 43.817 42.059 -0.005 0.000 1.221 433 L HN 0.490 nan 8.230 nan 0.000 0.418 434 V N 4.393 124.284 119.914 -0.038 0.000 2.370 434 V HA 0.531 4.646 4.120 -0.009 0.000 0.279 434 V C 0.702 176.777 176.094 -0.032 0.000 1.029 434 V CA -0.508 61.759 62.300 -0.055 0.000 0.870 434 V CB 1.321 33.094 31.823 -0.083 0.000 0.984 434 V HN 0.879 nan 8.190 nan 0.000 0.451 435 G N 2.928 111.715 108.800 -0.021 0.000 2.372 435 G HA2 0.657 4.611 3.960 -0.009 0.000 0.323 435 G HA3 0.657 4.611 3.960 -0.009 0.000 0.323 435 G C -0.125 174.812 174.900 0.062 0.000 1.152 435 G CA -0.168 44.952 45.100 0.033 0.000 0.906 435 G HN 0.792 nan 8.290 nan 0.000 0.460 436 T N -1.181 113.413 114.554 0.067 0.000 2.926 436 T HA 0.467 4.811 4.350 -0.009 0.000 0.289 436 T C 0.427 175.175 174.700 0.079 0.000 1.054 436 T CA -0.662 61.475 62.100 0.062 0.000 1.015 436 T CB 1.888 70.761 68.868 0.008 0.000 1.167 436 T HN 0.423 nan 8.240 nan 0.000 0.526 437 V N -0.188 119.738 119.914 0.019 0.000 3.590 437 V HA 0.627 4.742 4.120 -0.009 0.000 0.265 437 V C 0.636 176.747 176.094 0.027 0.000 1.239 437 V CA 0.951 63.237 62.300 -0.023 0.000 1.117 437 V CB -0.468 31.195 31.823 -0.267 0.000 0.818 437 V HN 1.227 nan 8.190 nan 0.000 0.451 438 A N -1.139 121.691 122.820 0.017 0.000 2.549 438 A HA 0.555 4.870 4.320 -0.009 0.000 0.297 438 A C 0.605 178.184 177.584 -0.009 0.000 1.061 438 A CA 0.273 52.317 52.037 0.012 0.000 0.690 438 A CB 1.575 20.580 19.000 0.007 0.000 1.287 438 A HN 0.567 nan 8.150 nan 0.000 0.402 439 V N 0.060 119.969 119.914 -0.008 0.000 2.332 439 V HA -0.227 3.887 4.120 -0.009 0.000 0.248 439 V C 2.003 178.068 176.094 -0.048 0.000 1.055 439 V CA 2.542 64.828 62.300 -0.023 0.000 1.038 439 V CB -1.094 30.719 31.823 -0.016 0.000 0.651 439 V HN 0.952 nan 8.190 nan 0.000 0.450 440 E N 1.113 121.286 120.200 -0.047 0.000 2.118 440 E HA -0.229 4.116 4.350 -0.009 0.000 0.195 440 E C 2.068 178.593 176.600 -0.125 0.000 0.992 440 E CA 2.152 58.511 56.400 -0.068 0.000 0.804 440 E CB -1.368 28.305 29.700 -0.046 0.000 0.741 440 E HN 0.631 nan 8.360 nan 0.000 0.458 441 T N 1.345 115.819 114.554 -0.133 0.000 2.777 441 T HA -0.081 4.263 4.350 -0.009 0.000 0.266 441 T C 2.195 176.736 174.700 -0.265 0.000 1.040 441 T CA 1.500 63.448 62.100 -0.253 0.000 1.141 441 T CB -0.242 68.541 68.868 -0.142 0.000 0.868 441 T HN 0.174 nan 8.240 nan 0.000 0.444 442 S N 1.210 116.820 115.700 -0.151 0.000 2.365 442 S HA -0.145 4.320 4.470 -0.009 0.000 0.225 442 S C 2.166 176.683 174.600 -0.138 0.000 1.039 442 S CA 1.029 59.153 58.200 -0.127 0.000 1.033 442 S CB -0.308 62.852 63.200 -0.066 0.000 0.887 442 S HN 0.493 nan 8.310 nan 0.000 0.447 443 E N 1.045 121.173 120.200 -0.120 0.000 2.077 443 E HA -0.086 4.259 4.350 -0.009 0.000 0.193 443 E C 2.164 178.676 176.600 -0.146 0.000 0.989 443 E CA 0.523 56.862 56.400 -0.102 0.000 0.800 443 E CB -0.572 29.080 29.700 -0.079 0.000 0.746 443 E HN 0.433 nan 8.360 nan 0.000 0.452 444 L N 0.826 121.919 121.223 -0.216 0.000 2.012 444 L HA -0.201 4.133 4.340 -0.009 0.000 0.210 444 L C 2.308 178.995 176.870 -0.306 0.000 1.073 444 L CA 1.116 55.786 54.840 -0.282 0.000 0.748 444 L CB -0.141 41.658 42.059 -0.434 0.000 0.891 444 L HN 0.075 nan 8.230 nan 0.000 0.431 445 I N -0.977 119.377 120.570 -0.359 0.000 2.202 445 I HA -0.270 3.895 4.170 -0.009 0.000 0.242 445 I C 2.789 178.735 176.117 -0.286 0.000 1.091 445 I CA 1.656 62.764 61.300 -0.320 0.000 1.368 445 I CB -1.457 36.361 38.000 -0.304 0.000 1.058 445 I HN 0.354 nan 8.210 nan 0.000 0.410 446 S N 0.970 116.518 115.700 -0.254 0.000 2.365 446 S HA -0.294 4.170 4.470 -0.009 0.000 0.225 446 S C 2.115 176.647 174.600 -0.113 0.000 1.039 446 S CA 2.243 60.306 58.200 -0.229 0.000 1.033 446 S CB -0.148 63.074 63.200 0.037 0.000 0.887 446 S HN 0.308 nan 8.310 nan 0.000 0.447 447 K N 0.633 120.978 120.400 -0.091 0.000 2.032 447 K HA 0.003 4.317 4.320 -0.009 0.000 0.209 447 K C 1.908 178.462 176.600 -0.076 0.000 1.048 447 K CA 1.372 57.622 56.287 -0.062 0.000 0.927 447 K CB -0.844 31.613 32.500 -0.072 0.000 0.712 447 K HN 0.321 nan 8.250 nan 0.000 0.441 448 L N 0.763 121.915 121.223 -0.118 0.000 2.079 448 L HA -0.126 4.209 4.340 -0.009 0.000 0.210 448 L C 2.124 178.929 176.870 -0.108 0.000 1.081 448 L CA 1.592 56.368 54.840 -0.107 0.000 0.752 448 L CB -0.688 41.296 42.059 -0.125 0.000 0.896 448 L HN 0.246 nan 8.230 nan 0.000 0.433 449 L N -1.458 119.668 121.223 -0.161 0.000 2.156 449 L HA -0.192 4.143 4.340 -0.009 0.000 0.208 449 L C 2.468 179.313 176.870 -0.041 0.000 1.095 449 L CA 0.897 55.638 54.840 -0.164 0.000 0.770 449 L CB -0.475 41.347 42.059 -0.395 0.000 0.914 449 L HN 0.219 nan 8.230 nan 0.000 0.439 450 K N 0.117 120.534 120.400 0.028 0.000 2.057 450 K HA -0.151 4.164 4.320 -0.009 0.000 0.207 450 K C 1.864 178.460 176.600 -0.007 0.000 1.049 450 K CA 1.376 57.685 56.287 0.037 0.000 0.931 450 K CB -0.198 32.324 32.500 0.036 0.000 0.714 450 K HN 0.305 nan 8.250 nan 0.000 0.440 451 N N 1.143 119.830 118.700 -0.021 0.000 2.223 451 N HA -0.136 4.598 4.740 -0.009 0.000 0.185 451 N C 1.249 176.746 175.510 -0.021 0.000 1.016 451 N CA 1.224 54.261 53.050 -0.022 0.000 0.863 451 N CB -0.033 38.438 38.487 -0.027 0.000 0.983 451 N HN 0.174 nan 8.380 nan 0.000 0.429 452 K N -0.300 120.082 120.400 -0.030 0.000 2.459 452 K HA 0.112 4.427 4.320 -0.009 0.000 0.193 452 K C 0.591 177.178 176.600 -0.020 0.000 1.030 452 K CA 0.382 56.654 56.287 -0.024 0.000 1.026 452 K CB 0.198 32.678 32.500 -0.035 0.000 0.809 452 K HN 0.240 nan 8.250 nan 0.000 0.504 453 G N 1.755 110.540 108.800 -0.026 0.000 2.182 453 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.248 453 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.248 453 G C -0.150 174.709 174.900 -0.068 0.000 1.042 453 G CA -0.248 44.837 45.100 -0.025 0.000 0.775 453 G HN 0.216 nan 8.290 nan 0.000 0.501 454 I N 1.735 122.235 120.570 -0.117 0.000 2.312 454 I HA 0.340 4.504 4.170 -0.009 0.000 0.290 454 I C -1.929 174.087 176.117 -0.168 0.000 1.008 454 I CA -2.535 58.578 61.300 -0.311 0.000 1.226 454 I CB 1.761 39.530 38.000 -0.385 0.000 1.371 454 I HN -0.112 nan 8.210 nan 0.000 0.468 455 P HA 0.195 nan 4.420 nan 0.000 0.276 455 P C -1.139 176.110 177.300 -0.084 0.000 1.230 455 P CA 0.225 63.234 63.100 -0.152 0.000 0.776 455 P CB 0.507 32.150 31.700 -0.095 0.000 0.888 456 H N 0.021 119.019 119.070 -0.121 0.000 3.037 456 H HA 0.380 4.933 4.556 -0.005 0.000 0.336 456 H C -1.538 173.750 175.328 -0.066 0.000 1.323 456 H CA -0.888 55.103 56.048 -0.095 0.000 1.159 456 H CB 0.892 30.584 29.762 -0.116 0.000 1.882 456 H HN 0.338 nan 8.280 nan 0.000 0.535 457 Q N 1.174 120.998 119.800 0.040 0.000 2.306 457 Q HA 0.575 4.909 4.340 -0.009 0.000 0.265 457 Q C -0.673 175.372 176.000 0.075 0.000 1.022 457 Q CA -1.308 54.494 55.803 -0.003 0.000 0.853 457 Q CB 3.454 32.182 28.738 -0.017 0.000 1.327 457 Q HN 0.377 nan 8.270 nan 0.000 0.449 458 V N 2.423 122.359 119.914 0.036 0.000 2.555 458 V HA 0.369 4.483 4.120 -0.009 0.000 0.302 458 V C -0.883 175.212 176.094 0.001 0.000 1.038 458 V CA -0.784 61.537 62.300 0.035 0.000 0.887 458 V CB 1.659 33.504 31.823 0.036 0.000 0.991 458 V HN 0.520 nan 8.190 nan 0.000 0.434 459 L N 4.728 125.951 121.223 0.001 0.000 2.353 459 L HA 0.516 4.850 4.340 -0.009 0.000 0.270 459 L C 0.591 177.457 176.870 -0.007 0.000 1.003 459 L CA -0.036 54.799 54.840 -0.008 0.000 0.862 459 L CB 1.206 43.265 42.059 0.000 0.000 1.221 459 L HN 0.514 nan 8.230 nan 0.000 0.430 460 N N 3.451 122.140 118.700 -0.018 0.000 2.389 460 N HA 0.217 4.952 4.740 -0.009 0.000 0.237 460 N C 1.071 176.569 175.510 -0.019 0.000 1.148 460 N CA 0.566 53.607 53.050 -0.015 0.000 0.854 460 N CB 0.585 39.060 38.487 -0.021 0.000 1.115 460 N HN 0.656 nan 8.380 nan 0.000 0.492 461 A N 0.136 122.947 122.820 -0.015 0.000 2.826 461 A HA -0.320 3.995 4.320 -0.009 0.000 0.274 461 A C 1.463 178.981 177.584 -0.110 0.000 1.443 461 A CA 1.856 53.885 52.037 -0.014 0.000 0.833 461 A CB -1.842 17.180 19.000 0.038 0.000 1.023 461 A HN 0.620 nan 8.150 nan 0.000 0.600 462 K N -0.385 119.928 120.400 -0.145 0.000 2.183 462 K HA 0.099 4.414 4.320 -0.009 0.000 0.218 462 K C 0.804 177.212 176.600 -0.320 0.000 1.025 462 K CA 0.321 56.492 56.287 -0.193 0.000 0.944 462 K CB -0.096 32.338 32.500 -0.109 0.000 0.936 462 K HN 0.442 nan 8.250 nan 0.000 0.460 463 N N 1.496 120.068 118.700 -0.213 0.000 2.508 463 N HA -0.014 4.720 4.740 -0.009 0.000 0.253 463 N C 0.490 175.882 175.510 -0.196 0.000 1.145 463 N CA -0.296 52.639 53.050 -0.191 0.000 0.973 463 N CB 0.326 38.748 38.487 -0.109 0.000 1.305 463 N HN 0.290 nan 8.380 nan 0.000 0.506 464 H N 1.835 120.838 119.070 -0.111 0.000 2.353 464 H HA -0.204 4.347 4.556 -0.009 0.000 0.298 464 H C 1.513 176.537 175.328 -0.507 0.000 1.103 464 H CA 1.359 57.274 56.048 -0.221 0.000 1.293 464 H CB 0.180 29.876 29.762 -0.111 0.000 1.372 464 H HN 0.717 nan 8.280 nan 0.000 0.501 465 E N 0.796 120.810 120.200 -0.310 0.000 2.051 465 E HA -0.166 4.179 4.350 -0.009 0.000 0.192 465 E C 2.505 178.953 176.600 -0.254 0.000 0.991 465 E CA 0.635 56.798 56.400 -0.396 0.000 0.799 465 E CB 0.130 29.782 29.700 -0.081 0.000 0.748 465 E HN 0.257 nan 8.360 nan 0.000 0.449 466 R N 0.418 120.828 120.500 -0.150 0.000 2.075 466 R HA -0.149 4.186 4.340 -0.009 0.000 0.232 466 R C 2.132 178.370 176.300 -0.104 0.000 1.126 466 R CA 1.627 57.667 56.100 -0.100 0.000 0.963 466 R CB -0.035 30.221 30.300 -0.074 0.000 0.858 466 R HN 0.244 nan 8.270 nan 0.000 0.435 467 E N -0.140 119.988 120.200 -0.120 0.000 2.070 467 E HA -0.224 4.121 4.350 -0.009 0.000 0.197 467 E C 1.903 178.452 176.600 -0.086 0.000 1.004 467 E CA 1.428 57.779 56.400 -0.082 0.000 0.805 467 E CB -0.144 29.526 29.700 -0.050 0.000 0.744 467 E HN 0.432 nan 8.360 nan 0.000 0.451 468 A N 1.093 123.813 122.820 -0.167 0.000 1.972 468 A HA -0.237 4.078 4.320 -0.009 0.000 0.219 468 A C 2.031 179.594 177.584 -0.036 0.000 1.169 468 A CA 1.282 53.257 52.037 -0.103 0.000 0.635 468 A CB -0.356 18.538 19.000 -0.178 0.000 0.810 468 A HN 0.198 nan 8.150 nan 0.000 0.446 469 Q N -0.525 119.244 119.800 -0.051 0.000 2.050 469 Q HA -0.139 4.196 4.340 -0.009 0.000 0.202 469 Q C 2.035 178.029 176.000 -0.010 0.000 0.980 469 Q CA 1.344 57.137 55.803 -0.016 0.000 0.840 469 Q CB -0.311 28.415 28.738 -0.020 0.000 0.898 469 Q HN 0.617 nan 8.270 nan 0.000 0.424 470 I N 0.957 121.515 120.570 -0.020 0.000 2.142 470 I HA -0.265 3.899 4.170 -0.009 0.000 0.240 470 I C 2.362 178.479 176.117 0.000 0.000 1.078 470 I CA 1.261 62.555 61.300 -0.011 0.000 1.343 470 I CB -1.167 36.824 38.000 -0.016 0.000 1.046 470 I HN 0.247 nan 8.210 nan 0.000 0.405 471 I N 0.812 121.382 120.570 -0.000 0.000 2.264 471 I HA -0.278 3.887 4.170 -0.009 0.000 0.248 471 I C 2.520 178.647 176.117 0.017 0.000 1.111 471 I CA 1.281 62.587 61.300 0.011 0.000 1.382 471 I CB -0.999 37.009 38.000 0.013 0.000 1.060 471 I HN 0.394 nan 8.210 nan 0.000 0.418 472 E N 0.726 120.937 120.200 0.018 0.000 2.171 472 E HA -0.237 4.108 4.350 -0.009 0.000 0.197 472 E C 1.439 178.051 176.600 0.019 0.000 0.997 472 E CA 1.234 57.648 56.400 0.023 0.000 0.810 472 E CB 0.217 29.933 29.700 0.026 0.000 0.738 472 E HN 0.350 nan 8.360 nan 0.000 0.467 473 E N -0.933 119.277 120.200 0.016 0.000 2.474 473 E HA 0.073 4.418 4.350 -0.009 0.000 0.195 473 E C 1.083 177.695 176.600 0.019 0.000 1.039 473 E CA 0.432 56.842 56.400 0.016 0.000 0.881 473 E CB 0.787 30.495 29.700 0.013 0.000 0.970 473 E HN 0.279 nan 8.360 nan 0.000 0.486 474 A N 0.622 123.454 122.820 0.020 0.000 2.235 474 A HA 0.106 4.421 4.320 -0.009 0.000 0.208 474 A C 1.829 179.428 177.584 0.024 0.000 1.172 474 A CA 1.020 53.070 52.037 0.023 0.000 0.786 474 A CB -0.187 18.825 19.000 0.020 0.000 0.804 474 A HN 0.184 nan 8.150 nan 0.000 0.479 475 G N -1.183 107.630 108.800 0.022 0.000 3.575 475 G HA2 0.301 4.256 3.960 -0.009 0.000 0.273 475 G HA3 0.301 4.256 3.960 -0.009 0.000 0.273 475 G C 0.271 175.183 174.900 0.019 0.000 1.053 475 G CA -0.252 44.860 45.100 0.020 0.000 0.803 475 G HN 0.308 nan 8.290 nan 0.000 0.528 476 Q N 0.584 120.397 119.800 0.022 0.000 2.260 476 Q HA 0.232 4.567 4.340 -0.009 0.000 0.238 476 Q C 0.023 176.037 176.000 0.023 0.000 0.948 476 Q CA -0.434 55.381 55.803 0.020 0.000 0.895 476 Q CB 1.591 30.341 28.738 0.020 0.000 1.218 476 Q HN 0.246 nan 8.270 nan 0.000 0.470 477 K N -0.077 120.330 120.400 0.013 0.000 2.484 477 K HA 0.077 4.392 4.320 -0.009 0.000 0.280 477 K C 0.687 177.298 176.600 0.018 0.000 1.013 477 K CA 1.206 57.495 56.287 0.003 0.000 1.029 477 K CB -0.166 32.327 32.500 -0.013 0.000 0.902 477 K HN 0.823 nan 8.250 nan 0.000 0.481 478 G N 1.929 110.744 108.800 0.024 0.000 2.179 478 G HA2 -0.300 3.654 3.960 -0.009 0.000 0.260 478 G HA3 -0.300 3.654 3.960 -0.009 0.000 0.260 478 G C 0.085 175.110 174.900 0.207 0.000 0.977 478 G CA 0.128 45.285 45.100 0.095 0.000 0.641 478 G HN 0.906 nan 8.290 nan 0.000 0.533 479 A N -0.308 122.586 122.820 0.122 0.000 2.440 479 A HA 0.676 4.990 4.320 -0.009 0.000 0.251 479 A C 0.166 177.816 177.584 0.111 0.000 1.089 479 A CA 0.476 52.574 52.037 0.101 0.000 0.779 479 A CB 1.128 20.163 19.000 0.059 0.000 1.022 479 A HN 1.211 nan 8.150 nan 0.000 0.492 480 V N 2.971 122.938 119.914 0.089 0.000 2.569 480 V HA 0.515 4.629 4.120 -0.009 0.000 0.301 480 V C -0.266 175.863 176.094 0.060 0.000 1.044 480 V CA -0.346 61.992 62.300 0.063 0.000 0.874 480 V CB 1.990 33.833 31.823 0.033 0.000 1.002 480 V HN 0.969 nan 8.190 nan 0.000 0.424 481 T N 6.028 120.602 114.554 0.034 0.000 2.848 481 T HA 0.648 4.992 4.350 -0.009 0.000 0.285 481 T C -0.429 174.275 174.700 0.007 0.000 0.995 481 T CA -0.273 61.845 62.100 0.031 0.000 0.970 481 T CB 1.516 70.397 68.868 0.022 0.000 0.976 481 T HN 0.383 nan 8.240 nan 0.000 0.441 482 I N 2.721 123.299 120.570 0.013 0.000 2.330 482 I HA 0.605 4.770 4.170 -0.009 0.000 0.289 482 I C 0.122 176.239 176.117 0.000 0.000 1.001 482 I CA -0.830 60.461 61.300 -0.015 0.000 1.193 482 I CB 1.178 39.153 38.000 -0.041 0.000 1.345 482 I HN 0.681 nan 8.210 nan 0.000 0.461 483 A N 4.605 127.427 122.820 0.003 0.000 2.310 483 A HA 0.605 4.920 4.320 -0.009 0.000 0.304 483 A C -0.152 177.451 177.584 0.032 0.000 1.231 483 A CA -0.468 51.581 52.037 0.019 0.000 0.799 483 A CB 0.714 19.730 19.000 0.026 0.000 1.162 483 A HN 0.616 nan 8.150 nan 0.000 0.486 484 T N 2.599 117.172 114.554 0.032 0.000 2.761 484 T HA 0.268 4.612 4.350 -0.009 0.000 0.296 484 T C 0.401 175.147 174.700 0.075 0.000 0.934 484 T CA 0.228 62.356 62.100 0.047 0.000 1.091 484 T CB -0.379 68.505 68.868 0.028 0.000 0.896 484 T HN 0.797 nan 8.240 nan 0.000 0.515 485 N N 3.582 122.354 118.700 0.120 0.000 2.671 485 N HA -0.172 4.563 4.740 -0.009 0.000 0.261 485 N C 0.314 175.881 175.510 0.094 0.000 1.053 485 N CA -0.267 52.868 53.050 0.142 0.000 0.732 485 N CB -0.616 37.952 38.487 0.134 0.000 0.887 485 N HN 0.629 nan 8.380 nan 0.000 0.546 486 M N -3.233 116.417 119.600 0.083 0.000 2.503 486 M HA -0.263 4.211 4.480 -0.009 0.000 0.199 486 M C 0.586 176.924 176.300 0.062 0.000 0.466 486 M CA 1.242 56.577 55.300 0.058 0.000 0.510 486 M CB -2.638 29.983 32.600 0.034 0.000 1.858 486 M HN 0.514 nan 8.290 nan 0.000 0.799 487 A N -0.056 122.803 122.820 0.066 0.000 2.555 487 A HA 0.407 4.722 4.320 -0.009 0.000 0.233 487 A C 1.611 179.230 177.584 0.059 0.000 1.060 487 A CA 1.077 53.155 52.037 0.068 0.000 0.759 487 A CB -0.190 18.837 19.000 0.045 0.000 0.995 487 A HN 1.903 nan 8.150 nan 0.000 0.506 488 G N 1.006 109.850 108.800 0.072 0.000 2.249 488 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.273 488 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.273 488 G C 0.257 175.184 174.900 0.046 0.000 1.036 488 G CA 0.731 45.859 45.100 0.047 0.000 0.824 488 G HN 1.553 nan 8.290 nan 0.000 0.504 489 R N -0.972 119.555 120.500 0.046 0.000 2.491 489 R HA 0.522 4.857 4.340 -0.009 0.000 0.283 489 R C 1.277 177.599 176.300 0.036 0.000 1.072 489 R CA 0.546 56.666 56.100 0.033 0.000 1.048 489 R CB 0.964 31.276 30.300 0.020 0.000 0.983 489 R HN 1.396 nan 8.270 nan 0.000 0.450 490 G N 1.789 110.611 108.800 0.035 0.000 2.184 490 G HA2 -0.212 3.743 3.960 -0.009 0.000 0.206 490 G HA3 -0.212 3.743 3.960 -0.009 0.000 0.206 490 G C -0.296 174.640 174.900 0.059 0.000 0.995 490 G CA 0.096 45.220 45.100 0.039 0.000 0.651 490 G HN 0.681 nan 8.290 nan 0.000 0.511 491 T N 1.388 115.981 114.554 0.065 0.000 2.756 491 T HA 0.498 4.842 4.350 -0.009 0.000 0.290 491 T C -0.342 174.383 174.700 0.043 0.000 0.985 491 T CA -0.200 61.941 62.100 0.068 0.000 0.955 491 T CB 1.805 70.721 68.868 0.079 0.000 0.930 491 T HN 0.296 nan 8.240 nan 0.000 0.451 492 D N 2.496 122.918 120.400 0.036 0.000 2.443 492 D HA 0.128 4.763 4.640 -0.009 0.000 0.239 492 D C -0.301 176.015 176.300 0.026 0.000 1.136 492 D CA 0.043 54.060 54.000 0.027 0.000 0.879 492 D CB 0.514 41.329 40.800 0.025 0.000 1.195 492 D HN 0.411 nan 8.370 nan 0.000 0.443 493 I N 4.068 124.651 120.570 0.022 0.000 2.328 493 I HA 0.201 4.365 4.170 -0.009 0.000 0.287 493 I C 0.272 176.399 176.117 0.018 0.000 1.012 493 I CA -0.748 60.564 61.300 0.020 0.000 1.195 493 I CB 0.894 38.905 38.000 0.019 0.000 1.350 493 I HN 0.145 nan 8.210 nan 0.000 0.464 494 K N 6.851 127.261 120.400 0.018 0.000 2.110 494 K HA 0.589 4.903 4.320 -0.009 0.000 0.263 494 K C -0.677 175.931 176.600 0.014 0.000 0.975 494 K CA -0.819 55.478 56.287 0.016 0.000 0.895 494 K CB 1.877 34.387 32.500 0.017 0.000 1.060 494 K HN 0.470 nan 8.250 nan 0.000 0.448 495 L N 1.927 123.157 121.223 0.012 0.000 2.331 495 L HA 0.209 4.543 4.340 -0.009 0.000 0.278 495 L C 1.056 177.932 176.870 0.010 0.000 1.106 495 L CA -0.421 54.425 54.840 0.011 0.000 0.824 495 L CB 0.615 42.679 42.059 0.008 0.000 1.142 495 L HN 0.781 nan 8.230 nan 0.000 0.443 496 G N 1.468 110.274 108.800 0.009 0.000 2.588 496 G HA2 0.175 4.130 3.960 -0.009 0.000 0.278 496 G HA3 0.175 4.130 3.960 -0.009 0.000 0.278 496 G C -0.346 174.557 174.900 0.005 0.000 1.307 496 G CA -0.434 44.670 45.100 0.008 0.000 1.016 496 G HN 0.626 nan 8.290 nan 0.000 0.503 497 E N -0.655 119.547 120.200 0.003 0.000 2.480 497 E HA 0.366 4.711 4.350 -0.009 0.000 0.258 497 E C 1.309 177.908 176.600 -0.001 0.000 0.984 497 E CA 1.453 57.854 56.400 0.001 0.000 0.930 497 E CB 0.096 29.797 29.700 0.001 0.000 0.936 497 E HN 1.258 nan 8.360 nan 0.000 0.466 498 G N 2.714 111.513 108.800 -0.002 0.000 2.184 498 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.264 498 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.264 498 G C 0.892 175.790 174.900 -0.005 0.000 0.975 498 G CA 0.367 45.465 45.100 -0.004 0.000 0.642 498 G HN 0.470 nan 8.290 nan 0.000 0.536 499 V N 0.491 120.404 119.914 -0.002 0.000 2.535 499 V HA -0.014 4.100 4.120 -0.009 0.000 0.246 499 V C 2.744 178.838 176.094 0.000 0.000 1.045 499 V CA 2.488 64.787 62.300 -0.000 0.000 1.058 499 V CB -0.316 31.509 31.823 0.003 0.000 0.689 499 V HN 0.468 nan 8.190 nan 0.000 0.461 500 K N 0.229 120.630 120.400 0.001 0.000 2.052 500 K HA -0.302 4.013 4.320 -0.009 0.000 0.215 500 K C 2.123 178.723 176.600 -0.000 0.000 1.053 500 K CA 2.276 58.564 56.287 0.001 0.000 0.934 500 K CB -0.215 32.286 32.500 0.001 0.000 0.717 500 K HN 0.412 nan 8.250 nan 0.000 0.450 501 E N 0.565 120.764 120.200 -0.002 0.000 2.204 501 E HA -0.121 4.223 4.350 -0.009 0.000 0.195 501 E C 1.577 178.175 176.600 -0.004 0.000 0.990 501 E CA 0.797 57.196 56.400 -0.003 0.000 0.821 501 E CB 0.002 29.699 29.700 -0.004 0.000 0.750 501 E HN 0.276 nan 8.360 nan 0.000 0.477 502 L N -1.375 119.846 121.223 -0.004 0.000 2.591 502 L HA 0.206 4.541 4.340 -0.009 0.000 0.228 502 L C 1.226 178.096 176.870 0.000 0.000 1.133 502 L CA 0.429 55.267 54.840 -0.004 0.000 0.880 502 L CB 0.102 42.156 42.059 -0.008 0.000 1.033 502 L HN 0.362 nan 8.230 nan 0.000 0.450 503 G N -0.852 107.949 108.800 0.002 0.000 2.184 503 G HA2 -0.070 3.884 3.960 -0.009 0.000 0.206 503 G HA3 -0.070 3.884 3.960 -0.009 0.000 0.206 503 G C 0.654 175.557 174.900 0.006 0.000 0.995 503 G CA -0.223 44.880 45.100 0.004 0.000 0.651 503 G HN 0.761 nan 8.290 nan 0.000 0.511 504 G N -0.955 107.848 108.800 0.005 0.000 2.693 504 G HA2 0.155 4.110 3.960 -0.009 0.000 0.226 504 G HA3 0.155 4.110 3.960 -0.009 0.000 0.226 504 G C -0.079 174.826 174.900 0.009 0.000 1.354 504 G CA 0.062 45.166 45.100 0.006 0.000 0.873 504 G HN 1.717 nan 8.290 nan 0.000 0.562 505 L N 1.092 122.320 121.223 0.009 0.000 2.410 505 L HA 0.641 4.975 4.340 -0.009 0.000 0.273 505 L C 1.023 177.898 176.870 0.009 0.000 1.144 505 L CA 0.823 55.669 54.840 0.011 0.000 0.863 505 L CB 0.471 42.536 42.059 0.010 0.000 1.140 505 L HN 1.721 nan 8.230 nan 0.000 0.463 506 A N 5.574 128.400 122.820 0.010 0.000 2.274 506 A HA 0.656 4.971 4.320 -0.009 0.000 0.309 506 A C -0.822 176.757 177.584 -0.008 0.000 1.226 506 A CA -0.544 51.498 52.037 0.007 0.000 0.853 506 A CB 0.753 19.764 19.000 0.019 0.000 1.146 506 A HN 0.527 nan 8.150 nan 0.000 0.518 507 V N 3.831 123.727 119.914 -0.029 0.000 2.384 507 V HA 0.377 4.491 4.120 -0.009 0.000 0.287 507 V C -0.345 175.679 176.094 -0.118 0.000 1.020 507 V CA -0.426 61.831 62.300 -0.071 0.000 0.850 507 V CB 1.496 33.269 31.823 -0.084 0.000 0.987 507 V HN 0.623 nan 8.190 nan 0.000 0.436 508 V N 4.185 124.032 119.914 -0.111 0.000 2.384 508 V HA 0.689 4.803 4.120 -0.009 0.000 0.287 508 V C 0.676 176.662 176.094 -0.180 0.000 1.020 508 V CA -0.355 61.886 62.300 -0.097 0.000 0.850 508 V CB 1.757 33.560 31.823 -0.034 0.000 0.987 508 V HN 0.932 nan 8.190 nan 0.000 0.436 509 G N 1.870 110.468 108.800 -0.336 0.000 2.343 509 G HA2 0.467 4.421 3.960 -0.009 0.000 0.319 509 G HA3 0.467 4.421 3.960 -0.009 0.000 0.319 509 G C 0.766 175.737 174.900 0.119 0.000 1.126 509 G CA 0.278 45.244 45.100 -0.223 0.000 0.889 509 G HN 0.794 nan 8.290 nan 0.000 0.457 510 T N -1.342 113.299 114.554 0.145 0.000 3.081 510 T HA 0.246 4.590 4.350 -0.009 0.000 0.250 510 T C 0.504 175.336 174.700 0.220 0.000 1.100 510 T CA 0.560 62.770 62.100 0.183 0.000 1.038 510 T CB -0.204 68.790 68.868 0.211 0.000 0.962 510 T HN 0.708 nan 8.240 nan 0.000 0.516 511 E N -0.087 120.258 120.200 0.242 0.000 2.432 511 E HA 0.395 4.739 4.350 -0.009 0.000 0.279 511 E C -1.599 175.132 176.600 0.219 0.000 1.099 511 E CA -1.223 55.287 56.400 0.183 0.000 0.859 511 E CB 1.026 30.775 29.700 0.081 0.000 1.402 511 E HN 0.128 nan 8.360 nan 0.000 0.451 512 R N 0.391 120.951 120.500 0.100 0.000 2.664 512 R HA 0.483 4.818 4.340 -0.009 0.000 0.286 512 R C -0.538 175.764 176.300 0.003 0.000 0.967 512 R CA -0.892 55.238 56.100 0.050 0.000 0.933 512 R CB 1.034 31.297 30.300 -0.061 0.000 1.146 512 R HN 0.466 nan 8.270 nan 0.000 0.468 513 H N 0.637 119.727 119.070 0.033 0.000 2.597 513 H HA -0.019 4.531 4.556 -0.010 0.000 0.370 513 H C 1.074 176.411 175.328 0.014 0.000 1.281 513 H CA -0.040 56.030 56.048 0.036 0.000 1.422 513 H CB 0.793 30.580 29.762 0.041 0.000 1.524 513 H HN 0.671 nan 8.280 nan 0.000 0.607 514 E N 0.373 120.663 120.200 0.151 0.000 2.160 514 E HA -0.162 4.182 4.350 -0.009 0.000 0.195 514 E C 0.098 176.744 176.600 0.077 0.000 0.991 514 E CA 0.921 57.376 56.400 0.091 0.000 0.810 514 E CB 0.183 29.933 29.700 0.084 0.000 0.742 514 E HN 0.338 nan 8.360 nan 0.000 0.466 515 S N -0.787 114.969 115.700 0.094 0.000 2.451 515 S HA 0.300 4.765 4.470 -0.009 0.000 0.301 515 S C 0.310 174.920 174.600 0.017 0.000 1.116 515 S CA -0.752 57.472 58.200 0.041 0.000 1.093 515 S CB 1.625 64.839 63.200 0.024 0.000 1.017 515 S HN 0.116 nan 8.310 nan 0.000 0.482 516 R N 3.180 123.673 120.500 -0.011 0.000 2.148 516 R HA 0.111 4.445 4.340 -0.009 0.000 0.227 516 R C 2.326 178.602 176.300 -0.040 0.000 1.103 516 R CA 1.482 57.556 56.100 -0.044 0.000 0.983 516 R CB -0.267 30.003 30.300 -0.050 0.000 0.874 516 R HN 0.770 nan 8.270 nan 0.000 0.451 517 R N 0.120 120.604 120.500 -0.028 0.000 2.083 517 R HA -0.128 4.206 4.340 -0.009 0.000 0.237 517 R C 1.659 177.935 176.300 -0.040 0.000 1.137 517 R CA 1.742 57.828 56.100 -0.024 0.000 0.951 517 R CB -0.241 30.050 30.300 -0.016 0.000 0.851 517 R HN 0.173 nan 8.270 nan 0.000 0.434 518 I N 1.593 122.112 120.570 -0.086 0.000 2.226 518 I HA -0.245 3.920 4.170 -0.009 0.000 0.245 518 I C 1.636 177.694 176.117 -0.098 0.000 1.100 518 I CA 1.398 62.584 61.300 -0.190 0.000 1.374 518 I CB -1.349 36.346 38.000 -0.508 0.000 1.057 518 I HN 0.196 nan 8.210 nan 0.000 0.413 519 D N 1.092 121.487 120.400 -0.008 0.000 2.123 519 D HA -0.186 4.448 4.640 -0.009 0.000 0.196 519 D C 1.899 178.299 176.300 0.167 0.000 0.992 519 D CA 1.310 55.372 54.000 0.102 0.000 0.833 519 D CB -0.549 40.140 40.800 -0.186 0.000 0.954 519 D HN 0.495 nan 8.370 nan 0.000 0.455 520 N N 0.294 119.031 118.700 0.061 0.000 2.289 520 N HA -0.130 4.605 4.740 -0.009 0.000 0.184 520 N C 1.776 177.337 175.510 0.083 0.000 1.016 520 N CA 0.458 53.556 53.050 0.079 0.000 0.872 520 N CB 0.027 38.531 38.487 0.028 0.000 0.973 520 N HN 0.308 nan 8.380 nan 0.000 0.433 521 Q N 0.422 120.256 119.800 0.058 0.000 2.124 521 Q HA -0.125 4.209 4.340 -0.009 0.000 0.202 521 Q C 2.071 178.114 176.000 0.072 0.000 0.977 521 Q CA 0.916 56.745 55.803 0.043 0.000 0.850 521 Q CB -0.066 28.677 28.738 0.009 0.000 0.901 521 Q HN 0.330 nan 8.270 nan 0.000 0.429 522 L N 0.825 122.121 121.223 0.121 0.000 2.072 522 L HA -0.122 4.213 4.340 -0.009 0.000 0.205 522 L C 2.372 179.308 176.870 0.110 0.000 1.079 522 L CA 1.674 56.589 54.840 0.124 0.000 0.752 522 L CB -0.388 41.784 42.059 0.188 0.000 0.906 522 L HN 0.022 nan 8.230 nan 0.000 0.436 523 R N -0.412 120.203 120.500 0.192 0.000 2.091 523 R HA -0.143 4.191 4.340 -0.009 0.000 0.238 523 R C 2.003 178.355 176.300 0.086 0.000 1.136 523 R CA 1.489 57.687 56.100 0.163 0.000 0.959 523 R CB -0.831 29.626 30.300 0.262 0.000 0.856 523 R HN 0.546 nan 8.270 nan 0.000 0.437 524 G N 0.025 108.868 108.800 0.073 0.000 2.625 524 G HA2 -0.172 3.783 3.960 -0.009 0.000 0.214 524 G HA3 -0.172 3.783 3.960 -0.009 0.000 0.214 524 G C 1.111 176.028 174.900 0.029 0.000 1.132 524 G CA -0.040 45.085 45.100 0.042 0.000 0.782 524 G HN 0.351 nan 8.290 nan 0.000 0.538 525 R N 0.068 120.587 120.500 0.031 0.000 2.236 525 R HA 0.111 4.445 4.340 -0.009 0.000 0.208 525 R C 1.273 177.583 176.300 0.016 0.000 1.036 525 R CA 0.401 56.514 56.100 0.022 0.000 1.001 525 R CB 0.049 30.363 30.300 0.023 0.000 0.896 525 R HN 0.306 nan 8.270 nan 0.000 0.464 526 S N -0.893 114.816 115.700 0.015 0.000 2.690 526 S HA 0.459 4.923 4.470 -0.009 0.000 0.291 526 S C 0.635 175.241 174.600 0.010 0.000 1.138 526 S CA 0.085 58.291 58.200 0.011 0.000 1.013 526 S CB 1.565 64.770 63.200 0.008 0.000 1.053 526 S HN 0.427 nan 8.310 nan 0.000 0.539 527 G N 2.670 111.474 108.800 0.006 0.000 2.246 527 G HA2 -0.235 3.719 3.960 -0.009 0.000 0.273 527 G HA3 -0.235 3.719 3.960 -0.009 0.000 0.273 527 G C -0.124 174.772 174.900 -0.005 0.000 1.055 527 G CA 0.534 45.635 45.100 0.001 0.000 0.851 527 G HN 1.032 nan 8.290 nan 0.000 0.500 528 R N -0.877 119.620 120.500 -0.005 0.000 2.582 528 R HA 0.620 4.954 4.340 -0.009 0.000 0.271 528 R C 0.666 176.951 176.300 -0.024 0.000 1.078 528 R CA -0.472 55.621 56.100 -0.012 0.000 1.127 528 R CB 0.571 30.869 30.300 -0.004 0.000 1.038 528 R HN 0.082 nan 8.270 nan 0.000 0.500 529 Q N 0.277 120.051 119.800 -0.044 0.000 2.395 529 Q HA -0.264 4.071 4.340 -0.009 0.000 0.326 529 Q C 0.819 176.782 176.000 -0.061 0.000 1.302 529 Q CA 1.597 57.357 55.803 -0.071 0.000 0.949 529 Q CB -1.660 27.043 28.738 -0.059 0.000 1.204 529 Q HN 1.251 nan 8.270 nan 0.000 0.444 530 G N -0.675 108.094 108.800 -0.051 0.000 2.205 530 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.261 530 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.261 530 G C -0.037 174.848 174.900 -0.024 0.000 0.980 530 G CA 0.182 45.258 45.100 -0.041 0.000 0.632 530 G HN 0.465 nan 8.290 nan 0.000 0.533 531 D N 2.280 122.669 120.400 -0.019 0.000 2.449 531 D HA 0.365 5.000 4.640 -0.009 0.000 0.236 531 D C -1.310 174.986 176.300 -0.006 0.000 1.149 531 D CA -0.430 53.565 54.000 -0.009 0.000 0.878 531 D CB 0.774 41.571 40.800 -0.005 0.000 1.198 531 D HN 0.283 nan 8.370 nan 0.000 0.446 532 P HA 0.376 nan 4.420 nan 0.000 0.274 532 P C -0.158 177.144 177.300 0.003 0.000 1.246 532 P CA -0.421 62.679 63.100 -0.000 0.000 0.795 532 P CB 1.018 32.719 31.700 0.000 0.000 1.006 533 G N -0.345 108.458 108.800 0.005 0.000 2.368 533 G HA2 0.482 4.437 3.960 -0.009 0.000 0.293 533 G HA3 0.482 4.437 3.960 -0.009 0.000 0.293 533 G C -2.233 172.673 174.900 0.010 0.000 1.467 533 G CA -0.530 44.575 45.100 0.008 0.000 0.804 533 G HN 0.646 nan 8.290 nan 0.000 0.535 534 I N 0.611 121.187 120.570 0.011 0.000 2.619 534 I HA 0.789 4.953 4.170 -0.009 0.000 0.292 534 I C -0.351 175.770 176.117 0.007 0.000 1.100 534 I CA -0.649 60.659 61.300 0.014 0.000 1.043 534 I CB 2.470 40.480 38.000 0.016 0.000 1.239 534 I HN 0.885 nan 8.210 nan 0.000 0.420 535 T N 2.842 117.404 114.554 0.013 0.000 2.876 535 T HA 0.696 5.040 4.350 -0.009 0.000 0.289 535 T C -0.918 173.782 174.700 -0.000 0.000 1.014 535 T CA -0.632 61.460 62.100 -0.014 0.000 0.986 535 T CB 1.858 70.734 68.868 0.013 0.000 1.021 535 T HN 0.603 nan 8.240 nan 0.000 0.458 536 Q N 1.726 121.484 119.800 -0.070 0.000 2.263 536 Q HA 0.597 4.932 4.340 -0.009 0.000 0.262 536 Q C -2.293 173.667 176.000 -0.067 0.000 0.984 536 Q CA -0.560 55.234 55.803 -0.015 0.000 0.813 536 Q CB 1.257 30.006 28.738 0.018 0.000 1.299 536 Q HN 0.718 nan 8.270 nan 0.000 0.428 537 F N 2.732 122.707 119.950 0.042 0.000 2.425 537 F HA 0.575 5.097 4.527 -0.009 0.000 0.331 537 F C -0.515 175.313 175.800 0.047 0.000 1.085 537 F CA -0.320 57.749 58.000 0.115 0.000 1.028 537 F CB 1.261 40.309 39.000 0.080 0.000 1.177 537 F HN 0.494 nan 8.300 nan 0.000 0.487 538 Y N 2.537 122.978 120.300 0.234 0.000 2.429 538 Y HA 0.742 5.287 4.550 -0.008 0.000 0.342 538 Y C -0.589 175.394 175.900 0.138 0.000 1.004 538 Y CA -0.903 57.299 58.100 0.170 0.000 1.075 538 Y CB 1.733 40.241 38.460 0.080 0.000 1.214 538 Y HN 0.309 nan 8.280 nan 0.000 0.455 539 L N 1.695 123.072 121.223 0.256 0.000 2.479 539 L HA 0.749 5.084 4.340 -0.009 0.000 0.255 539 L C -0.808 176.141 176.870 0.131 0.000 1.026 539 L CA -0.760 54.164 54.840 0.140 0.000 0.842 539 L CB 2.595 44.710 42.059 0.094 0.000 1.444 539 L HN 0.646 nan 8.230 nan 0.000 0.409 540 S N -0.463 115.268 115.700 0.052 0.000 2.588 540 S HA 0.515 4.980 4.470 -0.009 0.000 0.275 540 S C 0.507 175.120 174.600 0.022 0.000 1.130 540 S CA -0.831 57.400 58.200 0.050 0.000 0.855 540 S CB 1.571 64.764 63.200 -0.011 0.000 1.116 540 S HN 0.669 nan 8.310 nan 0.000 0.472 541 M N 1.227 120.843 119.600 0.026 0.000 2.192 541 M HA -0.145 4.329 4.480 -0.009 0.000 0.259 541 M C 1.539 177.844 176.300 0.008 0.000 1.071 541 M CA 1.855 57.164 55.300 0.015 0.000 1.082 541 M CB -0.668 31.942 32.600 0.017 0.000 1.373 541 M HN 0.798 nan 8.290 nan 0.000 0.408 542 E N 0.025 120.225 120.200 0.000 0.000 2.481 542 E HA -0.024 4.321 4.350 -0.009 0.000 0.195 542 E C -0.220 176.379 176.600 -0.002 0.000 1.047 542 E CA -0.138 56.261 56.400 -0.002 0.000 0.867 542 E CB 0.044 29.738 29.700 -0.011 0.000 0.858 542 E HN 0.445 nan 8.360 nan 0.000 0.513 543 D N 1.315 121.711 120.400 -0.007 0.000 2.400 543 D HA -0.049 4.586 4.640 -0.009 0.000 0.238 543 D C 1.088 177.396 176.300 0.014 0.000 1.157 543 D CA 0.204 54.203 54.000 -0.000 0.000 0.889 543 D CB 0.750 41.550 40.800 0.000 0.000 1.199 543 D HN -0.079 nan 8.370 nan 0.000 0.436 544 E N 0.521 120.733 120.200 0.020 0.000 2.077 544 E HA -0.151 4.193 4.350 -0.009 0.000 0.193 544 E C 1.894 178.510 176.600 0.027 0.000 0.989 544 E CA 0.499 56.915 56.400 0.027 0.000 0.800 544 E CB 0.007 29.724 29.700 0.028 0.000 0.746 544 E HN 0.304 nan 8.360 nan 0.000 0.452 545 L N 0.702 121.938 121.223 0.022 0.000 2.191 545 L HA -0.121 4.214 4.340 -0.009 0.000 0.212 545 L C 2.005 178.888 176.870 0.022 0.000 1.103 545 L CA 1.290 56.144 54.840 0.023 0.000 0.769 545 L CB -0.179 41.891 42.059 0.018 0.000 0.908 545 L HN 0.088 nan 8.230 nan 0.000 0.438 546 M N -0.452 119.159 119.600 0.017 0.000 2.628 546 M HA 0.071 4.546 4.480 -0.009 0.000 0.232 546 M C 0.207 176.515 176.300 0.014 0.000 1.128 546 M CA 0.647 55.954 55.300 0.012 0.000 1.040 546 M CB -0.767 31.838 32.600 0.009 0.000 1.608 546 M HN 0.139 nan 8.290 nan 0.000 0.507 547 R N 0.453 120.967 120.500 0.024 0.000 2.575 547 R HA 0.447 4.782 4.340 -0.009 0.000 0.281 547 R C -0.448 175.878 176.300 0.044 0.000 1.272 547 R CA -0.225 55.893 56.100 0.030 0.000 1.417 547 R CB 0.935 31.256 30.300 0.036 0.000 1.121 547 R HN -0.016 nan 8.270 nan 0.000 0.583 548 R N 0.152 120.680 120.500 0.046 0.000 2.795 548 R HA 0.258 4.592 4.340 -0.009 0.000 0.268 548 R C -0.023 176.338 176.300 0.101 0.000 1.041 548 R CA -0.757 55.392 56.100 0.082 0.000 0.927 548 R CB 0.246 30.591 30.300 0.075 0.000 1.235 548 R HN 0.135 nan 8.270 nan 0.000 0.463 549 F N 0.318 120.274 119.950 0.010 0.000 1.997 549 F HA 0.055 4.576 4.527 -0.009 0.000 0.296 549 F C 1.660 177.464 175.800 0.006 0.000 1.160 549 F CA 2.743 60.748 58.000 0.008 0.000 1.176 549 F CB -0.588 38.416 39.000 0.008 0.000 0.964 549 F HN 0.624 nan 8.300 nan 0.000 0.484 550 G N -1.127 107.677 108.800 0.006 0.000 2.650 550 G HA2 0.107 4.061 3.960 -0.009 0.000 0.214 550 G HA3 0.107 4.061 3.960 -0.009 0.000 0.214 550 G C 1.511 176.361 174.900 -0.083 0.000 1.136 550 G CA 0.536 45.568 45.100 -0.113 0.000 0.789 550 G HN 0.669 nan 8.290 nan 0.000 0.536 551 A N 0.543 123.341 122.820 -0.037 0.000 1.878 551 A HA 0.102 4.417 4.320 -0.009 0.000 0.213 551 A C 2.108 179.661 177.584 -0.052 0.000 1.192 551 A CA 1.594 53.613 52.037 -0.029 0.000 0.619 551 A CB -0.290 18.711 19.000 0.002 0.000 0.837 551 A HN 0.269 nan 8.150 nan 0.000 0.446 552 E N 0.174 120.336 120.200 -0.064 0.000 2.150 552 E HA -0.175 4.170 4.350 -0.009 0.000 0.193 552 E C 2.084 178.631 176.600 -0.089 0.000 0.985 552 E CA 0.573 56.937 56.400 -0.060 0.000 0.814 552 E CB -0.212 29.461 29.700 -0.045 0.000 0.752 552 E HN 0.357 nan 8.360 nan 0.000 0.466 553 R N 0.017 120.427 120.500 -0.150 0.000 2.080 553 R HA -0.090 4.245 4.340 -0.009 0.000 0.236 553 R C 2.431 178.674 176.300 -0.096 0.000 1.137 553 R CA 1.809 57.818 56.100 -0.152 0.000 0.943 553 R CB -1.219 28.941 30.300 -0.234 0.000 0.846 553 R HN 0.228 nan 8.270 nan 0.000 0.431 554 T N 1.919 116.421 114.554 -0.088 0.000 2.635 554 T HA -0.162 4.183 4.350 -0.009 0.000 0.267 554 T C 1.958 176.630 174.700 -0.046 0.000 1.040 554 T CA 1.628 63.689 62.100 -0.065 0.000 1.156 554 T CB -0.112 68.721 68.868 -0.059 0.000 0.863 554 T HN 0.107 nan 8.240 nan 0.000 0.430 555 M N 1.176 120.753 119.600 -0.038 0.000 2.159 555 M HA 0.032 4.507 4.480 -0.009 0.000 0.263 555 M C 2.831 179.125 176.300 -0.011 0.000 1.063 555 M CA 1.379 56.668 55.300 -0.019 0.000 1.110 555 M CB -1.585 31.007 32.600 -0.014 0.000 1.374 555 M HN 0.337 nan 8.290 nan 0.000 0.411 556 A N 0.380 123.187 122.820 -0.023 0.000 1.933 556 A HA -0.167 4.148 4.320 -0.009 0.000 0.218 556 A C 2.300 179.883 177.584 -0.001 0.000 1.175 556 A CA 1.750 53.779 52.037 -0.015 0.000 0.628 556 A CB -0.642 18.340 19.000 -0.031 0.000 0.814 556 A HN 0.514 nan 8.150 nan 0.000 0.444 557 M N -0.149 119.445 119.600 -0.010 0.000 2.123 557 M HA -0.039 4.435 4.480 -0.009 0.000 0.263 557 M C 1.903 178.231 176.300 0.047 0.000 1.069 557 M CA 1.706 57.009 55.300 0.005 0.000 1.133 557 M CB -0.759 31.826 32.600 -0.025 0.000 1.356 557 M HN 0.397 nan 8.290 nan 0.000 0.415 558 L N 0.475 121.718 121.223 0.034 0.000 2.127 558 L HA -0.230 4.105 4.340 -0.009 0.000 0.211 558 L C 2.268 179.211 176.870 0.122 0.000 1.089 558 L CA 1.399 56.291 54.840 0.088 0.000 0.757 558 L CB -1.012 41.069 42.059 0.037 0.000 0.899 558 L HN 0.337 nan 8.230 nan 0.000 0.434 559 D N 0.544 120.983 120.400 0.065 0.000 2.084 559 D HA -0.184 4.450 4.640 -0.009 0.000 0.194 559 D C 2.322 178.653 176.300 0.053 0.000 0.990 559 D CA 1.461 55.489 54.000 0.047 0.000 0.826 559 D CB 0.074 40.889 40.800 0.025 0.000 0.971 559 D HN 0.130 nan 8.370 nan 0.000 0.453 560 R N -0.941 119.596 120.500 0.063 0.000 2.115 560 R HA -0.103 4.231 4.340 -0.009 0.000 0.230 560 R C 2.321 178.676 176.300 0.092 0.000 1.111 560 R CA 0.687 56.822 56.100 0.058 0.000 0.976 560 R CB -0.517 29.813 30.300 0.050 0.000 0.870 560 R HN 0.249 nan 8.270 nan 0.000 0.445 561 F N 0.689 120.626 119.950 -0.021 0.000 2.126 561 F HA -0.135 4.387 4.527 -0.009 0.000 0.299 561 F C 1.357 177.145 175.800 -0.020 0.000 1.096 561 F CA 2.027 60.015 58.000 -0.021 0.000 1.255 561 F CB -0.094 38.890 39.000 -0.026 0.000 0.997 561 F HN 0.234 nan 8.300 nan 0.000 0.479 562 G N 0.299 109.016 108.800 -0.140 0.000 2.147 562 G HA2 -0.189 3.765 3.960 -0.009 0.000 0.128 562 G HA3 -0.189 3.765 3.960 -0.009 0.000 0.128 562 G C 0.378 175.183 174.900 -0.159 0.000 1.026 562 G CA -0.015 44.950 45.100 -0.226 0.000 0.693 562 G HN 0.372 nan 8.290 nan 0.000 0.499 563 M N 0.878 120.469 119.600 -0.013 0.000 2.249 563 M HA 0.330 4.804 4.480 -0.009 0.000 0.340 563 M C -0.622 175.676 176.300 -0.003 0.000 1.166 563 M CA 0.799 56.120 55.300 0.035 0.000 1.115 563 M CB 0.493 33.150 32.600 0.096 0.000 1.606 563 M HN 0.179 nan 8.290 nan 0.000 0.448 564 D N 1.884 122.278 120.400 -0.010 0.000 2.477 564 D HA 0.224 4.858 4.640 -0.009 0.000 0.234 564 D C -0.022 176.293 176.300 0.024 0.000 1.048 564 D CA -0.387 53.615 54.000 0.003 0.000 0.959 564 D CB 1.600 42.397 40.800 -0.004 0.000 1.408 564 D HN 0.515 nan 8.370 nan 0.000 0.496 565 D N -0.478 119.969 120.400 0.078 0.000 2.263 565 D HA -0.128 4.506 4.640 -0.009 0.000 0.208 565 D C 1.518 177.932 176.300 0.190 0.000 0.971 565 D CA 1.006 55.121 54.000 0.192 0.000 0.867 565 D CB 0.138 41.042 40.800 0.172 0.000 0.929 565 D HN 0.302 nan 8.370 nan 0.000 0.492 566 S N -1.126 114.629 115.700 0.091 0.000 2.575 566 S HA 0.014 4.479 4.470 -0.009 0.000 0.215 566 S C 0.898 175.513 174.600 0.024 0.000 0.966 566 S CA 0.128 58.372 58.200 0.074 0.000 0.911 566 S CB 0.014 63.242 63.200 0.048 0.000 0.780 566 S HN 0.112 nan 8.310 nan 0.000 0.514 567 T N 0.398 114.941 114.554 -0.018 0.000 3.585 567 T HA 0.432 4.776 4.350 -0.009 0.000 0.252 567 T C -3.068 171.553 174.700 -0.132 0.000 1.382 567 T CA -1.776 60.293 62.100 -0.050 0.000 1.584 567 T CB 0.637 69.492 68.868 -0.022 0.000 0.892 567 T HN 0.055 nan 8.240 nan 0.000 0.671 568 P HA 0.168 nan 4.420 nan 0.000 0.265 568 P C -0.145 176.981 177.300 -0.289 0.000 1.187 568 P CA -0.436 62.336 63.100 -0.546 0.000 0.766 568 P CB 0.719 31.808 31.700 -1.018 0.000 0.820 569 I N 2.831 123.258 120.570 -0.239 0.000 2.428 569 I HA 0.229 4.393 4.170 -0.009 0.000 0.289 569 I C 0.834 176.867 176.117 -0.140 0.000 1.019 569 I CA 0.042 61.261 61.300 -0.136 0.000 1.351 569 I CB 0.468 38.413 38.000 -0.092 0.000 1.412 569 I HN 0.466 nan 8.210 nan 0.000 0.513 570 Q N 4.939 124.676 119.800 -0.104 0.000 2.891 570 Q HA 0.362 4.696 4.340 -0.009 0.000 0.242 570 Q C -1.153 174.807 176.000 -0.067 0.000 0.959 570 Q CA -0.266 55.484 55.803 -0.088 0.000 0.707 570 Q CB 1.219 29.904 28.738 -0.088 0.000 1.283 570 Q HN 0.791 nan 8.270 nan 0.000 0.480 571 S N 1.372 117.034 115.700 -0.064 0.000 2.542 571 S HA 0.437 4.902 4.470 -0.009 0.000 0.293 571 S C 0.495 175.067 174.600 -0.047 0.000 1.089 571 S CA -0.767 57.399 58.200 -0.057 0.000 0.961 571 S CB 1.931 65.090 63.200 -0.069 0.000 1.062 571 S HN 0.595 nan 8.310 nan 0.000 0.483 572 K N 1.155 121.531 120.400 -0.040 0.000 2.074 572 K HA -0.150 4.165 4.320 -0.009 0.000 0.209 572 K C 2.009 178.587 176.600 -0.036 0.000 1.048 572 K CA 1.861 58.128 56.287 -0.033 0.000 0.926 572 K CB -0.323 32.161 32.500 -0.028 0.000 0.713 572 K HN 0.703 nan 8.250 nan 0.000 0.444 573 M N 0.818 120.392 119.600 -0.044 0.000 2.067 573 M HA -0.184 4.290 4.480 -0.009 0.000 0.260 573 M C 1.999 178.271 176.300 -0.047 0.000 1.069 573 M CA 1.728 57.001 55.300 -0.046 0.000 1.117 573 M CB -0.003 32.563 32.600 -0.057 0.000 1.334 573 M HN -0.016 nan 8.290 nan 0.000 0.407 574 V N -0.651 119.230 119.914 -0.054 0.000 2.427 574 V HA -0.212 3.903 4.120 -0.009 0.000 0.248 574 V C 2.441 178.510 176.094 -0.042 0.000 1.051 574 V CA 1.907 64.176 62.300 -0.052 0.000 1.048 574 V CB -0.639 31.148 31.823 -0.060 0.000 0.666 574 V HN 0.537 nan 8.190 nan 0.000 0.456 575 S N -0.780 114.896 115.700 -0.040 0.000 2.368 575 S HA -0.185 4.279 4.470 -0.009 0.000 0.225 575 S C 2.245 176.825 174.600 -0.034 0.000 1.030 575 S CA 1.250 59.430 58.200 -0.035 0.000 0.999 575 S CB -0.264 62.918 63.200 -0.029 0.000 0.844 575 S HN 0.391 nan 8.310 nan 0.000 0.459 576 R N 0.700 121.182 120.500 -0.031 0.000 2.092 576 R HA 0.014 4.348 4.340 -0.009 0.000 0.231 576 R C 2.404 178.690 176.300 -0.025 0.000 1.119 576 R CA 1.198 57.282 56.100 -0.027 0.000 0.970 576 R CB -0.843 29.442 30.300 -0.024 0.000 0.864 576 R HN 0.454 nan 8.270 nan 0.000 0.440 577 A N 0.311 123.115 122.820 -0.027 0.000 1.908 577 A HA -0.139 4.176 4.320 -0.009 0.000 0.218 577 A C 2.380 179.952 177.584 -0.019 0.000 1.181 577 A CA 1.699 53.722 52.037 -0.023 0.000 0.627 577 A CB -0.550 18.431 19.000 -0.032 0.000 0.818 577 A HN 0.146 nan 8.150 nan 0.000 0.445 578 V N -0.203 119.695 119.914 -0.026 0.000 2.270 578 V HA -0.273 3.841 4.120 -0.009 0.000 0.245 578 V C 2.513 178.589 176.094 -0.029 0.000 1.043 578 V CA 2.314 64.598 62.300 -0.027 0.000 1.014 578 V CB -0.819 30.983 31.823 -0.036 0.000 0.645 578 V HN 0.790 nan 8.190 nan 0.000 0.447 579 E N 0.414 120.591 120.200 -0.038 0.000 2.070 579 E HA -0.246 4.098 4.350 -0.009 0.000 0.197 579 E C 2.297 178.886 176.600 -0.018 0.000 1.004 579 E CA 1.952 58.330 56.400 -0.037 0.000 0.805 579 E CB -0.179 29.498 29.700 -0.038 0.000 0.744 579 E HN 0.582 nan 8.360 nan 0.000 0.451 580 S N -0.076 115.618 115.700 -0.010 0.000 2.368 580 S HA -0.189 4.275 4.470 -0.009 0.000 0.225 580 S C 2.037 176.647 174.600 0.015 0.000 1.030 580 S CA 1.158 59.360 58.200 0.003 0.000 0.999 580 S CB -0.364 62.839 63.200 0.005 0.000 0.844 580 S HN 0.360 nan 8.310 nan 0.000 0.459 581 S N 1.037 116.746 115.700 0.016 0.000 2.399 581 S HA -0.130 4.335 4.470 -0.009 0.000 0.231 581 S C 1.883 176.501 174.600 0.030 0.000 1.022 581 S CA 1.073 59.292 58.200 0.032 0.000 0.983 581 S CB -0.269 62.947 63.200 0.028 0.000 0.803 581 S HN 0.531 nan 8.310 nan 0.000 0.480 582 Q N 0.080 119.887 119.800 0.013 0.000 2.172 582 Q HA 0.037 4.371 4.340 -0.009 0.000 0.200 582 Q C 2.254 178.263 176.000 0.015 0.000 0.964 582 Q CA 1.076 56.886 55.803 0.012 0.000 0.855 582 Q CB -0.047 28.687 28.738 -0.007 0.000 0.918 582 Q HN 0.500 nan 8.270 nan 0.000 0.444 583 K N 0.404 120.811 120.400 0.011 0.000 2.057 583 K HA -0.143 4.172 4.320 -0.009 0.000 0.207 583 K C 2.134 178.751 176.600 0.029 0.000 1.049 583 K CA 0.917 57.212 56.287 0.014 0.000 0.931 583 K CB -0.029 32.477 32.500 0.009 0.000 0.714 583 K HN 0.035 nan 8.250 nan 0.000 0.440 584 R N 0.649 121.170 120.500 0.035 0.000 2.073 584 R HA -0.120 4.215 4.340 -0.009 0.000 0.234 584 R C 2.013 178.340 176.300 0.046 0.000 1.134 584 R CA 1.383 57.509 56.100 0.043 0.000 0.952 584 R CB -0.210 30.122 30.300 0.054 0.000 0.850 584 R HN 0.022 nan 8.270 nan 0.000 0.433 585 V N 1.353 121.295 119.914 0.047 0.000 2.427 585 V HA -0.170 3.945 4.120 -0.009 0.000 0.248 585 V C 2.420 178.546 176.094 0.053 0.000 1.051 585 V CA 1.670 63.999 62.300 0.048 0.000 1.048 585 V CB -0.417 31.435 31.823 0.048 0.000 0.666 585 V HN 0.347 nan 8.190 nan 0.000 0.456 586 E N 0.845 121.075 120.200 0.049 0.000 2.077 586 E HA -0.165 4.180 4.350 -0.009 0.000 0.193 586 E C 2.304 178.963 176.600 0.097 0.000 0.989 586 E CA 1.556 57.989 56.400 0.055 0.000 0.800 586 E CB -0.685 29.031 29.700 0.026 0.000 0.746 586 E HN 0.548 nan 8.360 nan 0.000 0.452 587 G N 0.634 109.490 108.800 0.093 0.000 2.418 587 G HA2 -0.277 3.678 3.960 -0.009 0.000 0.217 587 G HA3 -0.277 3.678 3.960 -0.009 0.000 0.217 587 G C 1.551 176.527 174.900 0.127 0.000 1.158 587 G CA 0.829 46.013 45.100 0.140 0.000 0.771 587 G HN 0.346 nan 8.290 nan 0.000 0.545 588 N N 0.829 119.572 118.700 0.073 0.000 2.084 588 N HA -0.132 4.603 4.740 -0.009 0.000 0.190 588 N C 2.002 177.540 175.510 0.046 0.000 1.030 588 N CA 1.002 54.076 53.050 0.041 0.000 0.849 588 N CB -0.119 38.382 38.487 0.023 0.000 1.012 588 N HN 0.146 nan 8.380 nan 0.000 0.423 589 N N 0.955 119.698 118.700 0.072 0.000 2.120 589 N HA -0.157 4.577 4.740 -0.009 0.000 0.188 589 N C 1.536 177.112 175.510 0.110 0.000 1.024 589 N CA 0.777 53.872 53.050 0.075 0.000 0.852 589 N CB -0.576 37.958 38.487 0.078 0.000 1.003 589 N HN 0.216 nan 8.380 nan 0.000 0.424 590 F N 2.471 122.415 119.950 -0.010 0.000 2.134 590 F HA -0.129 4.393 4.527 -0.009 0.000 0.299 590 F C 1.670 177.463 175.800 -0.013 0.000 1.097 590 F CA 1.247 59.237 58.000 -0.017 0.000 1.264 590 F CB -0.329 38.659 39.000 -0.019 0.000 1.001 590 F HN -0.086 nan 8.300 nan 0.000 0.479 591 D N -0.190 120.079 120.400 -0.219 0.000 2.117 591 D HA -0.151 4.484 4.640 -0.009 0.000 0.197 591 D C 2.474 178.661 176.300 -0.189 0.000 0.987 591 D CA 1.697 55.528 54.000 -0.281 0.000 0.829 591 D CB -0.442 40.282 40.800 -0.126 0.000 0.961 591 D HN 0.287 nan 8.370 nan 0.000 0.460 592 S N 0.357 116.000 115.700 -0.094 0.000 2.356 592 S HA -0.152 4.313 4.470 -0.009 0.000 0.223 592 S C 1.900 176.465 174.600 -0.059 0.000 1.032 592 S CA 0.762 58.928 58.200 -0.057 0.000 1.005 592 S CB -0.047 63.138 63.200 -0.025 0.000 0.867 592 S HN 0.233 nan 8.310 nan 0.000 0.449 593 R N 1.441 121.909 120.500 -0.053 0.000 2.091 593 R HA -0.100 4.235 4.340 -0.009 0.000 0.238 593 R C 2.197 178.450 176.300 -0.078 0.000 1.136 593 R CA 1.492 57.575 56.100 -0.028 0.000 0.959 593 R CB -0.154 30.171 30.300 0.041 0.000 0.856 593 R HN 0.275 nan 8.270 nan 0.000 0.437 594 K N 0.004 120.279 120.400 -0.208 0.000 2.063 594 K HA -0.206 4.108 4.320 -0.009 0.000 0.208 594 K C 2.293 178.833 176.600 -0.100 0.000 1.048 594 K CA 2.000 58.151 56.287 -0.227 0.000 0.928 594 K CB -0.020 32.230 32.500 -0.416 0.000 0.713 594 K HN 0.348 nan 8.250 nan 0.000 0.442 595 Q N 0.181 119.943 119.800 -0.063 0.000 2.123 595 Q HA -0.063 4.271 4.340 -0.009 0.000 0.199 595 Q C 2.133 178.227 176.000 0.156 0.000 0.966 595 Q CA 0.904 56.734 55.803 0.045 0.000 0.845 595 Q CB 0.065 28.836 28.738 0.054 0.000 0.907 595 Q HN 0.300 nan 8.270 nan 0.000 0.439 596 L N 0.061 121.326 121.223 0.071 0.000 2.141 596 L HA -0.189 4.145 4.340 -0.009 0.000 0.209 596 L C 2.165 179.102 176.870 0.112 0.000 1.094 596 L CA 0.389 55.276 54.840 0.077 0.000 0.763 596 L CB -0.262 41.800 42.059 0.004 0.000 0.908 596 L HN 0.217 nan 8.230 nan 0.000 0.437 597 L N -0.398 120.860 121.223 0.058 0.000 2.046 597 L HA -0.226 4.108 4.340 -0.009 0.000 0.208 597 L C 2.670 179.569 176.870 0.048 0.000 1.077 597 L CA 1.748 56.610 54.840 0.038 0.000 0.747 597 L CB -0.518 41.534 42.059 -0.012 0.000 0.896 597 L HN 0.255 nan 8.230 nan 0.000 0.432 598 Q N -2.034 117.785 119.800 0.032 0.000 2.084 598 Q HA -0.247 4.087 4.340 -0.009 0.000 0.202 598 Q C 2.193 178.180 176.000 -0.022 0.000 0.978 598 Q CA 1.995 57.783 55.803 -0.025 0.000 0.844 598 Q CB -0.326 28.355 28.738 -0.094 0.000 0.898 598 Q HN 0.496 nan 8.270 nan 0.000 0.426 599 Y N 1.341 121.645 120.300 0.006 0.000 2.145 599 Y HA -0.228 4.316 4.550 -0.009 0.000 0.286 599 Y C 2.058 178.020 175.900 0.103 0.000 1.145 599 Y CA 1.316 59.428 58.100 0.020 0.000 1.148 599 Y CB -0.167 38.187 38.460 -0.177 0.000 0.981 599 Y HN 0.127 nan 8.280 nan 0.000 0.507 600 D N -0.219 120.301 120.400 0.200 0.000 2.221 600 D HA -0.187 4.447 4.640 -0.009 0.000 0.204 600 D C 1.518 177.892 176.300 0.124 0.000 0.982 600 D CA 1.522 55.609 54.000 0.144 0.000 0.857 600 D CB -0.451 40.407 40.800 0.097 0.000 0.934 600 D HN 0.410 nan 8.370 nan 0.000 0.475 601 D N -0.653 119.804 120.400 0.095 0.000 2.219 601 D HA -0.082 4.552 4.640 -0.009 0.000 0.205 601 D C 2.009 178.340 176.300 0.051 0.000 0.970 601 D CA 0.268 54.300 54.000 0.054 0.000 0.851 601 D CB 0.365 41.176 40.800 0.019 0.000 0.943 601 D HN -0.053 nan 8.370 nan 0.000 0.488 602 V N 0.398 120.367 119.914 0.091 0.000 2.295 602 V HA -0.199 3.916 4.120 -0.009 0.000 0.246 602 V C 2.304 178.425 176.094 0.045 0.000 1.049 602 V CA 1.220 63.545 62.300 0.042 0.000 1.024 602 V CB -0.441 31.388 31.823 0.011 0.000 0.648 602 V HN 0.271 nan 8.190 nan 0.000 0.447 603 L N 0.234 121.529 121.223 0.119 0.000 2.156 603 L HA -0.062 4.272 4.340 -0.009 0.000 0.208 603 L C 2.562 179.518 176.870 0.144 0.000 1.095 603 L CA 1.817 56.749 54.840 0.155 0.000 0.770 603 L CB -0.709 41.443 42.059 0.156 0.000 0.914 603 L HN 0.224 nan 8.230 nan 0.000 0.439 604 R N -0.790 119.765 120.500 0.091 0.000 2.083 604 R HA -0.198 4.136 4.340 -0.009 0.000 0.237 604 R C 2.165 178.467 176.300 0.004 0.000 1.137 604 R CA 2.041 58.176 56.100 0.057 0.000 0.951 604 R CB -0.277 30.051 30.300 0.047 0.000 0.851 604 R HN 0.539 nan 8.270 nan 0.000 0.434 605 Q N -0.131 119.653 119.800 -0.026 0.000 2.172 605 Q HA -0.159 4.176 4.340 -0.009 0.000 0.200 605 Q C 2.221 178.116 176.000 -0.176 0.000 0.964 605 Q CA 1.462 57.213 55.803 -0.087 0.000 0.855 605 Q CB 0.078 28.762 28.738 -0.090 0.000 0.918 605 Q HN 0.536 nan 8.270 nan 0.000 0.444 606 Q N 0.253 119.935 119.800 -0.198 0.000 2.084 606 Q HA -0.142 4.192 4.340 -0.009 0.000 0.202 606 Q C 2.099 178.005 176.000 -0.155 0.000 0.978 606 Q CA 0.906 56.505 55.803 -0.342 0.000 0.844 606 Q CB -0.108 28.563 28.738 -0.112 0.000 0.898 606 Q HN 0.217 nan 8.270 nan 0.000 0.426 607 R N 0.994 121.447 120.500 -0.079 0.000 2.081 607 R HA -0.175 4.160 4.340 -0.009 0.000 0.235 607 R C 1.733 177.748 176.300 -0.475 0.000 1.131 607 R CA 1.487 57.324 56.100 -0.438 0.000 0.960 607 R CB 0.082 30.257 30.300 -0.207 0.000 0.856 607 R HN 0.331 nan 8.270 nan 0.000 0.436 608 E N -0.530 119.542 120.200 -0.213 0.000 2.106 608 E HA -0.134 4.211 4.350 -0.009 0.000 0.192 608 E C 1.946 178.502 176.600 -0.074 0.000 0.984 608 E CA 1.245 57.584 56.400 -0.101 0.000 0.806 608 E CB 0.143 29.814 29.700 -0.049 0.000 0.750 608 E HN 0.137 nan 8.360 nan 0.000 0.458 609 V N 0.985 120.839 119.914 -0.101 0.000 2.358 609 V HA -0.207 3.908 4.120 -0.009 0.000 0.246 609 V C 2.179 178.274 176.094 0.002 0.000 1.047 609 V CA 1.212 63.496 62.300 -0.026 0.000 1.035 609 V CB -0.177 31.638 31.823 -0.013 0.000 0.658 609 V HN 0.230 nan 8.190 nan 0.000 0.452 610 I N -1.298 119.220 120.570 -0.086 0.000 2.500 610 I HA -0.126 4.038 4.170 -0.009 0.000 0.252 610 I C 2.188 178.282 176.117 -0.038 0.000 1.142 610 I CA 1.452 62.665 61.300 -0.146 0.000 1.451 610 I CB -0.322 37.416 38.000 -0.435 0.000 1.093 610 I HN 0.224 nan 8.210 nan 0.000 0.430 611 Y N 1.025 121.179 120.300 -0.243 0.000 2.242 611 Y HA -0.197 4.348 4.550 -0.009 0.000 0.291 611 Y C 2.541 178.412 175.900 -0.048 0.000 1.137 611 Y CA 1.375 59.379 58.100 -0.161 0.000 1.181 611 Y CB -1.084 37.295 38.460 -0.135 0.000 0.989 611 Y HN 0.262 nan 8.280 nan 0.000 0.527 612 K N 0.509 120.987 120.400 0.129 0.000 2.057 612 K HA -0.243 4.071 4.320 -0.009 0.000 0.207 612 K C 2.189 178.858 176.600 0.114 0.000 1.049 612 K CA 1.673 58.028 56.287 0.113 0.000 0.931 612 K CB -0.187 32.353 32.500 0.067 0.000 0.714 612 K HN 0.356 nan 8.250 nan 0.000 0.440 613 Q N 0.570 120.406 119.800 0.060 0.000 2.119 613 Q HA -0.164 4.170 4.340 -0.009 0.000 0.201 613 Q C 2.255 178.260 176.000 0.009 0.000 0.972 613 Q CA 1.149 56.967 55.803 0.024 0.000 0.847 613 Q CB -0.027 28.708 28.738 -0.006 0.000 0.903 613 Q HN 0.294 nan 8.270 nan 0.000 0.433 614 R N -0.543 119.963 120.500 0.010 0.000 2.092 614 R HA -0.148 4.187 4.340 -0.009 0.000 0.231 614 R C 2.094 178.385 176.300 -0.015 0.000 1.119 614 R CA 1.314 57.398 56.100 -0.027 0.000 0.970 614 R CB -0.329 29.936 30.300 -0.058 0.000 0.864 614 R HN 0.333 nan 8.270 nan 0.000 0.440 615 F N 1.975 121.870 119.950 -0.092 0.000 2.134 615 F HA -0.148 4.373 4.527 -0.009 0.000 0.299 615 F C 1.963 177.729 175.800 -0.056 0.000 1.097 615 F CA 1.768 59.718 58.000 -0.083 0.000 1.264 615 F CB -0.203 38.754 39.000 -0.071 0.000 1.001 615 F HN 0.023 nan 8.300 nan 0.000 0.479 616 E N -0.023 120.159 120.200 -0.030 0.000 2.147 616 E HA -0.212 4.133 4.350 -0.009 0.000 0.199 616 E C 2.264 178.759 176.600 -0.175 0.000 1.005 616 E CA 1.743 58.083 56.400 -0.100 0.000 0.810 616 E CB -0.546 29.146 29.700 -0.014 0.000 0.736 616 E HN 0.321 nan 8.360 nan 0.000 0.460 617 V N 0.902 120.726 119.914 -0.150 0.000 2.307 617 V HA -0.239 3.876 4.120 -0.009 0.000 0.245 617 V C 2.245 178.230 176.094 -0.181 0.000 1.045 617 V CA 1.952 64.169 62.300 -0.139 0.000 1.024 617 V CB -0.592 31.164 31.823 -0.112 0.000 0.651 617 V HN 0.453 nan 8.190 nan 0.000 0.449 618 I N -1.748 118.672 120.570 -0.250 0.000 2.928 618 I HA 0.015 4.179 4.170 -0.009 0.000 0.266 618 I C 1.727 177.654 176.117 -0.318 0.000 1.234 618 I CA 1.653 62.805 61.300 -0.246 0.000 1.483 618 I CB -0.342 37.522 38.000 -0.227 0.000 1.097 618 I HN 0.220 nan 8.210 nan 0.000 0.455 619 D N 1.129 121.231 120.400 -0.497 0.000 2.349 619 D HA 0.047 4.681 4.640 -0.009 0.000 0.214 619 D C 0.886 177.044 176.300 -0.237 0.000 1.063 619 D CA 0.049 53.766 54.000 -0.472 0.000 0.847 619 D CB 0.314 40.616 40.800 -0.830 0.000 0.933 619 D HN 0.281 nan 8.370 nan 0.000 0.513 620 S N 0.173 115.763 115.700 -0.183 0.000 2.528 620 S HA 0.048 4.513 4.470 -0.009 0.000 0.277 620 S C 1.260 175.819 174.600 -0.068 0.000 1.297 620 S CA -0.532 57.604 58.200 -0.106 0.000 1.052 620 S CB 0.966 64.114 63.200 -0.087 0.000 0.917 620 S HN 0.049 nan 8.310 nan 0.000 0.492 621 E N 3.281 123.453 120.200 -0.046 0.000 2.012 621 E HA -0.067 4.277 4.350 -0.009 0.000 0.197 621 E C 0.393 176.984 176.600 -0.015 0.000 1.007 621 E CA 1.198 57.583 56.400 -0.026 0.000 0.816 621 E CB -0.063 29.627 29.700 -0.017 0.000 0.762 621 E HN 0.708 nan 8.360 nan 0.000 0.451 622 N N -0.018 118.675 118.700 -0.012 0.000 2.354 622 N HA 0.116 4.850 4.740 -0.009 0.000 0.287 622 N C 0.295 175.804 175.510 -0.003 0.000 1.016 622 N CA -0.130 52.922 53.050 0.002 0.000 0.871 622 N CB 1.284 39.778 38.487 0.012 0.000 1.299 622 N HN 0.006 nan 8.380 nan 0.000 0.482 623 L N 2.805 124.033 121.223 0.008 0.000 2.552 623 L HA 0.130 4.465 4.340 -0.009 0.000 0.227 623 L C 2.380 179.264 176.870 0.023 0.000 1.146 623 L CA 0.235 55.077 54.840 0.003 0.000 0.858 623 L CB -0.033 42.028 42.059 0.003 0.000 0.969 623 L HN 0.536 nan 8.230 nan 0.000 0.451 624 R N 0.397 120.922 120.500 0.043 0.000 2.083 624 R HA -0.239 4.095 4.340 -0.009 0.000 0.237 624 R C 2.051 178.302 176.300 -0.083 0.000 1.137 624 R CA 1.928 58.041 56.100 0.021 0.000 0.951 624 R CB -0.089 30.226 30.300 0.025 0.000 0.851 624 R HN 0.408 nan 8.270 nan 0.000 0.434 625 E N 0.289 120.451 120.200 -0.064 0.000 2.051 625 E HA -0.196 4.148 4.350 -0.009 0.000 0.192 625 E C 2.132 178.690 176.600 -0.070 0.000 0.991 625 E CA 1.438 57.793 56.400 -0.075 0.000 0.799 625 E CB -0.103 29.566 29.700 -0.052 0.000 0.748 625 E HN 0.377 nan 8.360 nan 0.000 0.449 626 I N 0.441 120.980 120.570 -0.051 0.000 2.163 626 I HA -0.285 3.879 4.170 -0.009 0.000 0.243 626 I C 2.428 178.516 176.117 -0.050 0.000 1.085 626 I CA 0.870 62.141 61.300 -0.048 0.000 1.347 626 I CB -0.163 37.811 38.000 -0.044 0.000 1.044 626 I HN 0.068 nan 8.210 nan 0.000 0.408 627 V N 0.438 120.329 119.914 -0.039 0.000 2.358 627 V HA -0.247 3.868 4.120 -0.009 0.000 0.246 627 V C 2.349 178.406 176.094 -0.060 0.000 1.047 627 V CA 1.755 64.043 62.300 -0.021 0.000 1.035 627 V CB -0.631 31.224 31.823 0.054 0.000 0.658 627 V HN 0.417 nan 8.190 nan 0.000 0.452 628 E N 0.452 120.571 120.200 -0.136 0.000 2.058 628 E HA -0.258 4.087 4.350 -0.009 0.000 0.194 628 E C 2.053 178.580 176.600 -0.122 0.000 0.997 628 E CA 1.767 58.056 56.400 -0.184 0.000 0.801 628 E CB -0.313 29.235 29.700 -0.253 0.000 0.746 628 E HN 0.726 nan 8.360 nan 0.000 0.450 629 N N 0.296 118.938 118.700 -0.097 0.000 2.104 629 N HA -0.179 4.555 4.740 -0.009 0.000 0.190 629 N C 1.947 177.414 175.510 -0.071 0.000 1.024 629 N CA 1.238 54.241 53.050 -0.079 0.000 0.853 629 N CB -0.101 38.347 38.487 -0.064 0.000 1.008 629 N HN 0.121 nan 8.380 nan 0.000 0.424 630 M N 0.477 120.041 119.600 -0.061 0.000 2.086 630 M HA -0.146 4.328 4.480 -0.009 0.000 0.261 630 M C 2.041 178.314 176.300 -0.044 0.000 1.067 630 M CA 1.430 56.700 55.300 -0.050 0.000 1.116 630 M CB -0.391 32.185 32.600 -0.040 0.000 1.348 630 M HN 0.165 nan 8.290 nan 0.000 0.407 631 I N 0.094 120.638 120.570 -0.044 0.000 2.127 631 I HA -0.341 3.823 4.170 -0.009 0.000 0.241 631 I C 2.610 178.641 176.117 -0.144 0.000 1.075 631 I CA 1.520 62.790 61.300 -0.050 0.000 1.334 631 I CB -0.466 37.510 38.000 -0.040 0.000 1.040 631 I HN 0.307 nan 8.210 nan 0.000 0.405 632 K N 0.532 120.847 120.400 -0.142 0.000 2.026 632 K HA -0.219 4.096 4.320 -0.009 0.000 0.208 632 K C 2.372 178.898 176.600 -0.124 0.000 1.048 632 K CA 1.848 58.043 56.287 -0.155 0.000 0.929 632 K CB -0.190 32.238 32.500 -0.121 0.000 0.713 632 K HN 0.123 nan 8.250 nan 0.000 0.439 633 S N -0.085 115.562 115.700 -0.088 0.000 2.387 633 S HA -0.195 4.269 4.470 -0.009 0.000 0.230 633 S C 2.052 176.618 174.600 -0.057 0.000 1.035 633 S CA 2.096 60.256 58.200 -0.066 0.000 1.014 633 S CB -0.487 62.678 63.200 -0.058 0.000 0.836 633 S HN 0.484 nan 8.310 nan 0.000 0.466 634 S N 0.103 115.773 115.700 -0.051 0.000 2.387 634 S HA -0.006 4.458 4.470 -0.009 0.000 0.226 634 S C 1.810 176.413 174.600 0.006 0.000 1.026 634 S CA 1.073 59.275 58.200 0.002 0.000 0.972 634 S CB -0.543 62.699 63.200 0.071 0.000 0.814 634 S HN 0.503 nan 8.310 nan 0.000 0.477 635 L N 2.151 123.282 121.223 -0.154 0.000 2.093 635 L HA 0.107 4.442 4.340 -0.009 0.000 0.208 635 L C 2.289 179.097 176.870 -0.105 0.000 1.085 635 L CA 2.264 56.947 54.840 -0.261 0.000 0.755 635 L CB -0.947 40.809 42.059 -0.505 0.000 0.904 635 L HN 0.453 nan 8.230 nan 0.000 0.435 636 E N -0.611 119.536 120.200 -0.087 0.000 2.110 636 E HA -0.247 4.097 4.350 -0.009 0.000 0.193 636 E C 2.250 178.838 176.600 -0.020 0.000 0.988 636 E CA 1.053 57.420 56.400 -0.054 0.000 0.804 636 E CB -0.014 29.655 29.700 -0.052 0.000 0.745 636 E HN 0.499 nan 8.360 nan 0.000 0.458 637 R N -0.294 120.204 120.500 -0.004 0.000 2.148 637 R HA -0.037 4.298 4.340 -0.009 0.000 0.223 637 R C 2.304 178.639 176.300 0.058 0.000 1.088 637 R CA 0.814 56.925 56.100 0.018 0.000 0.985 637 R CB -0.116 30.192 30.300 0.013 0.000 0.880 637 R HN 0.138 nan 8.270 nan 0.000 0.451 638 A N 1.527 124.396 122.820 0.082 0.000 1.898 638 A HA -0.108 4.207 4.320 -0.009 0.000 0.216 638 A C 2.050 179.720 177.584 0.142 0.000 1.181 638 A CA 0.976 53.097 52.037 0.141 0.000 0.620 638 A CB -0.246 18.849 19.000 0.158 0.000 0.819 638 A HN 0.061 nan 8.150 nan 0.000 0.442 639 I N 0.214 120.813 120.570 0.049 0.000 2.142 639 I HA -0.241 3.924 4.170 -0.009 0.000 0.240 639 I C 2.952 179.087 176.117 0.030 0.000 1.078 639 I CA 1.583 62.889 61.300 0.009 0.000 1.343 639 I CB -1.831 36.140 38.000 -0.048 0.000 1.046 639 I HN 0.339 nan 8.210 nan 0.000 0.405 640 A N 1.270 124.099 122.820 0.014 0.000 1.908 640 A HA -0.145 4.170 4.320 -0.009 0.000 0.218 640 A C 2.514 180.099 177.584 0.002 0.000 1.181 640 A CA 2.221 54.255 52.037 -0.006 0.000 0.627 640 A CB -0.899 18.096 19.000 -0.010 0.000 0.818 640 A HN 0.459 nan 8.150 nan 0.000 0.445 641 A N -2.504 120.344 122.820 0.046 0.000 2.125 641 A HA -0.000 4.314 4.320 -0.009 0.000 0.219 641 A C 1.632 179.118 177.584 -0.163 0.000 1.156 641 A CA 1.380 53.398 52.037 -0.032 0.000 0.671 641 A CB -0.577 18.427 19.000 0.007 0.000 0.794 641 A HN 0.672 nan 8.150 nan 0.000 0.459 642 Y N -1.848 118.401 120.300 -0.085 0.000 2.500 642 Y HA 0.161 4.706 4.550 -0.009 0.000 0.246 642 Y C 0.644 176.432 175.900 -0.186 0.000 1.146 642 Y CA 0.287 58.319 58.100 -0.114 0.000 1.230 642 Y CB 0.923 39.326 38.460 -0.095 0.000 1.214 642 Y HN 0.120 nan 8.280 nan 0.000 0.526 643 T N 2.333 116.846 114.554 -0.068 0.000 3.516 643 T HA 0.212 4.556 4.350 -0.009 0.000 0.245 643 T C -2.187 172.420 174.700 -0.156 0.000 1.077 643 T CA -0.941 61.052 62.100 -0.178 0.000 1.222 643 T CB 0.012 68.775 68.868 -0.174 0.000 1.045 643 T HN 0.012 nan 8.240 nan 0.000 0.585 653 K N 1.587 121.898 120.400 -0.148 0.000 2.402 653 K HA 0.299 4.613 4.320 -0.009 0.000 0.204 653 K C 0.646 177.216 176.600 -0.050 0.000 1.056 653 K CA 0.246 56.350 56.287 -0.306 0.000 1.069 653 K CB 0.222 32.444 32.500 -0.463 0.000 0.888 653 K HN 0.274 nan 8.250 nan 0.000 0.546 654 L N 2.903 124.148 121.223 0.038 0.000 3.713 654 L HA -0.195 4.139 4.340 -0.009 0.000 0.499 654 L C -1.648 175.310 176.870 0.146 0.000 1.281 654 L CA 0.283 55.178 54.840 0.092 0.000 0.796 654 L CB -0.806 41.302 42.059 0.081 0.000 1.535 654 L HN 0.109 nan 8.230 nan 0.000 0.851 655 D N 2.183 122.641 120.400 0.097 0.000 2.339 655 D HA 0.556 5.190 4.640 -0.009 0.000 0.241 655 D C 1.223 177.537 176.300 0.024 0.000 1.183 655 D CA 0.625 54.649 54.000 0.041 0.000 0.859 655 D CB 1.178 41.998 40.800 0.033 0.000 1.067 655 D HN 0.612 nan 8.370 nan 0.000 0.484 656 G N 1.979 110.782 108.800 0.004 0.000 4.315 656 G HA2 -0.355 3.599 3.960 -0.009 0.000 0.280 656 G HA3 -0.355 3.599 3.960 -0.009 0.000 0.280 656 G C 0.850 175.472 174.900 -0.464 0.000 1.649 656 G CA 0.172 45.266 45.100 -0.009 0.000 1.108 656 G HN 0.520 nan 8.290 nan 0.000 0.667 657 L N 1.717 122.403 121.223 -0.896 0.000 2.046 657 L HA 0.185 4.519 4.340 -0.009 0.000 0.208 657 L C 2.972 179.630 176.870 -0.355 0.000 1.077 657 L CA 3.013 57.276 54.840 -0.961 0.000 0.747 657 L CB -0.629 41.029 42.059 -0.668 0.000 0.896 657 L HN 0.568 nan 8.230 nan 0.000 0.432 658 V N 0.239 120.046 119.914 -0.179 0.000 2.287 658 V HA -0.306 3.809 4.120 -0.009 0.000 0.248 658 V C 2.476 178.532 176.094 -0.062 0.000 1.053 658 V CA 2.154 64.418 62.300 -0.059 0.000 1.027 658 V CB -0.793 31.027 31.823 -0.006 0.000 0.646 658 V HN 0.626 nan 8.190 nan 0.000 0.447 659 D N -0.210 120.144 120.400 -0.076 0.000 2.144 659 D HA -0.158 4.477 4.640 -0.009 0.000 0.199 659 D C 2.086 178.349 176.300 -0.062 0.000 0.984 659 D CA 1.357 55.327 54.000 -0.051 0.000 0.834 659 D CB -0.003 40.779 40.800 -0.030 0.000 0.955 659 D HN 0.381 nan 8.370 nan 0.000 0.465 660 L N 0.676 121.836 121.223 -0.105 0.000 2.056 660 L HA -0.068 4.267 4.340 -0.009 0.000 0.207 660 L C 2.341 179.155 176.870 -0.093 0.000 1.078 660 L CA 1.317 56.098 54.840 -0.099 0.000 0.749 660 L CB -0.502 41.478 42.059 -0.133 0.000 0.901 660 L HN 0.021 nan 8.230 nan 0.000 0.433 661 I N 0.192 120.737 120.570 -0.042 0.000 2.286 661 I HA -0.287 3.878 4.170 -0.009 0.000 0.248 661 I C 1.866 178.000 176.117 0.028 0.000 1.115 661 I CA 1.102 62.444 61.300 0.069 0.000 1.392 661 I CB -0.657 37.414 38.000 0.118 0.000 1.065 661 I HN 0.423 nan 8.210 nan 0.000 0.418 662 N N 0.000 118.697 118.700 -0.006 0.000 2.244 662 N HA -0.155 4.579 4.740 -0.009 0.000 0.183 662 N C 1.858 177.348 175.510 -0.033 0.000 1.016 662 N CA 1.682 54.729 53.050 -0.006 0.000 0.866 662 N CB -0.415 38.069 38.487 -0.006 0.000 0.980 662 N HN 0.295 nan 8.380 nan 0.000 0.430 663 T N -1.147 113.366 114.554 -0.069 0.000 3.081 663 T HA 0.131 4.476 4.350 -0.009 0.000 0.250 663 T C 1.291 175.897 174.700 -0.156 0.000 1.100 663 T CA 0.661 62.709 62.100 -0.085 0.000 1.038 663 T CB 0.117 68.939 68.868 -0.077 0.000 0.962 663 T HN 0.106 nan 8.240 nan 0.000 0.516 664 T N -0.396 114.000 114.554 -0.264 0.000 3.114 664 T HA 0.223 4.568 4.350 -0.009 0.000 0.240 664 T C 0.856 175.231 174.700 -0.541 0.000 0.983 664 T CA 0.306 62.100 62.100 -0.509 0.000 1.151 664 T CB -0.049 68.313 68.868 -0.842 0.000 0.974 664 T HN 0.399 nan 8.240 nan 0.000 0.442 665 Y N 0.420 120.708 120.300 -0.020 0.000 2.535 665 Y HA 0.551 5.095 4.550 -0.009 0.000 0.266 665 Y C 1.019 176.929 175.900 0.017 0.000 1.088 665 Y CA -0.359 57.740 58.100 -0.000 0.000 1.285 665 Y CB 0.063 38.520 38.460 -0.004 0.000 1.166 665 Y HN 0.066 nan 8.280 nan 0.000 0.525 666 L N -1.285 120.014 121.223 0.128 0.000 2.606 666 L HA 0.446 4.780 4.340 -0.009 0.000 0.255 666 L C -0.456 176.439 176.870 0.042 0.000 1.501 666 L CA -1.101 53.789 54.840 0.085 0.000 1.593 666 L CB 0.706 42.813 42.059 0.081 0.000 2.049 666 L HN -0.202 nan 8.230 nan 0.000 0.576 667 D N -0.600 119.820 120.400 0.034 0.000 2.374 667 D HA 0.281 4.916 4.640 -0.009 0.000 0.239 667 D C -1.038 175.269 176.300 0.011 0.000 0.991 667 D CA -0.563 53.449 54.000 0.020 0.000 0.960 667 D CB 1.706 42.518 40.800 0.021 0.000 1.284 667 D HN 0.331 nan 8.370 nan 0.000 0.512 668 E N -0.232 119.971 120.200 0.005 0.000 2.608 668 E HA 0.280 4.625 4.350 -0.009 0.000 0.259 668 E C 1.147 177.748 176.600 0.001 0.000 0.951 668 E CA 0.532 56.932 56.400 0.001 0.000 0.945 668 E CB -0.089 29.611 29.700 0.001 0.000 0.916 668 E HN 0.713 nan 8.360 nan 0.000 0.477 669 G N 2.152 110.951 108.800 -0.001 0.000 2.203 669 G HA2 -0.339 3.615 3.960 -0.009 0.000 0.263 669 G HA3 -0.339 3.615 3.960 -0.009 0.000 0.263 669 G C 0.990 175.888 174.900 -0.003 0.000 1.012 669 G CA 0.728 45.826 45.100 -0.004 0.000 0.749 669 G HN 0.695 nan 8.290 nan 0.000 0.512 670 A N -1.155 121.666 122.820 0.002 0.000 1.874 670 A HA 0.559 4.873 4.320 -0.009 0.000 0.214 670 A C 1.385 178.967 177.584 -0.003 0.000 1.189 670 A CA 1.570 53.609 52.037 0.004 0.000 0.615 670 A CB 0.015 19.025 19.000 0.016 0.000 0.830 670 A HN 1.198 nan 8.150 nan 0.000 0.443 671 L N 0.230 121.452 121.223 -0.002 0.000 2.399 671 L HA 0.539 4.873 4.340 -0.009 0.000 0.265 671 L C -0.872 175.982 176.870 -0.027 0.000 1.089 671 L CA -0.437 54.395 54.840 -0.012 0.000 0.802 671 L CB 1.339 43.401 42.059 0.006 0.000 1.180 671 L HN 0.446 nan 8.230 nan 0.000 0.454 672 E N 1.602 121.768 120.200 -0.056 0.000 2.288 672 E HA 0.295 4.640 4.350 -0.009 0.000 0.268 672 E C -0.229 176.327 176.600 -0.072 0.000 0.885 672 E CA -0.822 55.541 56.400 -0.062 0.000 0.767 672 E CB 0.888 30.544 29.700 -0.073 0.000 1.220 672 E HN 0.466 nan 8.360 nan 0.000 0.427 673 K N 0.814 121.191 120.400 -0.038 0.000 2.147 673 K HA -0.181 4.134 4.320 -0.009 0.000 0.205 673 K C 1.516 178.092 176.600 -0.040 0.000 1.049 673 K CA 1.810 58.088 56.287 -0.015 0.000 0.936 673 K CB -0.201 32.299 32.500 -0.001 0.000 0.722 673 K HN 0.440 nan 8.250 nan 0.000 0.446 674 S N 1.146 116.807 115.700 -0.065 0.000 2.419 674 S HA -0.179 4.285 4.470 -0.009 0.000 0.235 674 S C 1.654 176.160 174.600 -0.156 0.000 1.019 674 S CA 1.423 59.575 58.200 -0.080 0.000 0.982 674 S CB -0.301 62.853 63.200 -0.076 0.000 0.789 674 S HN 0.366 nan 8.310 nan 0.000 0.490 675 D N 0.655 120.893 120.400 -0.269 0.000 2.349 675 D HA 0.119 4.753 4.640 -0.009 0.000 0.224 675 D C 0.202 176.036 176.300 -0.775 0.000 1.029 675 D CA 0.211 53.849 54.000 -0.603 0.000 0.879 675 D CB -0.015 40.329 40.800 -0.761 0.000 0.906 675 D HN 0.516 nan 8.370 nan 0.000 0.528 676 I N 1.364 121.814 120.570 -0.199 0.000 2.268 676 I HA 0.024 4.189 4.170 -0.009 0.000 0.298 676 I C 0.315 176.555 176.117 0.205 0.000 1.185 676 I CA 0.113 61.509 61.300 0.160 0.000 1.548 676 I CB -0.238 37.833 38.000 0.118 0.000 1.492 676 I HN -0.076 nan 8.210 nan 0.000 0.711 677 F N 2.038 122.023 119.950 0.059 0.000 1.754 677 F HA 0.117 4.639 4.527 -0.009 0.000 0.250 677 F C 1.478 177.319 175.800 0.069 0.000 1.263 677 F CA 0.716 58.746 58.000 0.049 0.000 1.254 677 F CB -0.582 38.439 39.000 0.035 0.000 2.053 677 F HN 0.253 nan 8.300 nan 0.000 0.112 678 G N 3.230 112.308 108.800 0.463 0.000 2.273 678 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.280 678 G HA3 -0.255 3.700 3.960 -0.009 0.000 0.280 678 G C -0.167 174.884 174.900 0.253 0.000 1.047 678 G CA 0.831 46.118 45.100 0.313 0.000 0.869 678 G HN 0.537 nan 8.290 nan 0.000 0.502 679 K N -0.660 119.835 120.400 0.159 0.000 2.340 679 K HA 0.596 4.911 4.320 -0.009 0.000 0.244 679 K C 0.068 176.626 176.600 -0.070 0.000 0.973 679 K CA -1.078 55.261 56.287 0.086 0.000 0.828 679 K CB 1.327 33.977 32.500 0.250 0.000 1.226 679 K HN 0.087 nan 8.250 nan 0.000 0.437 680 E N 2.741 122.934 120.200 -0.011 0.000 2.413 680 E HA 0.001 4.346 4.350 -0.009 0.000 0.263 680 E C -1.674 174.867 176.600 -0.098 0.000 1.015 680 E CA -1.525 54.854 56.400 -0.035 0.000 0.916 680 E CB 0.519 30.218 29.700 -0.001 0.000 0.947 680 E HN 0.247 nan 8.360 nan 0.000 0.440 681 P HA -0.192 nan 4.420 nan 0.000 0.215 681 P C 0.832 178.080 177.300 -0.088 0.000 1.153 681 P CA 1.174 64.189 63.100 -0.142 0.000 0.853 681 P CB 0.243 31.871 31.700 -0.120 0.000 0.788 682 D N 0.268 120.635 120.400 -0.055 0.000 2.178 682 D HA -0.184 4.451 4.640 -0.009 0.000 0.201 682 D C 1.868 178.153 176.300 -0.024 0.000 0.980 682 D CA 0.983 54.960 54.000 -0.038 0.000 0.842 682 D CB -0.175 40.610 40.800 -0.026 0.000 0.948 682 D HN 0.164 nan 8.370 nan 0.000 0.472 683 E N -0.598 119.594 120.200 -0.014 0.000 2.077 683 E HA -0.150 4.194 4.350 -0.009 0.000 0.193 683 E C 2.394 179.020 176.600 0.043 0.000 0.989 683 E CA 1.068 57.480 56.400 0.021 0.000 0.800 683 E CB 0.026 29.753 29.700 0.045 0.000 0.746 683 E HN 0.386 nan 8.360 nan 0.000 0.452 684 M N -0.159 119.450 119.600 0.016 0.000 2.159 684 M HA -0.145 4.330 4.480 -0.009 0.000 0.263 684 M C 2.281 178.601 176.300 0.034 0.000 1.063 684 M CA 0.844 56.186 55.300 0.071 0.000 1.110 684 M CB -0.200 32.352 32.600 -0.080 0.000 1.374 684 M HN 0.141 nan 8.290 nan 0.000 0.411 685 L N 0.734 121.946 121.223 -0.019 0.000 2.046 685 L HA -0.164 4.170 4.340 -0.009 0.000 0.208 685 L C 2.323 179.172 176.870 -0.035 0.000 1.077 685 L CA 1.943 56.758 54.840 -0.042 0.000 0.747 685 L CB -0.483 41.543 42.059 -0.055 0.000 0.896 685 L HN 0.139 nan 8.230 nan 0.000 0.432 686 E N -0.644 119.546 120.200 -0.017 0.000 2.077 686 E HA -0.221 4.123 4.350 -0.009 0.000 0.193 686 E C 2.063 178.660 176.600 -0.005 0.000 0.989 686 E CA 1.476 57.867 56.400 -0.015 0.000 0.800 686 E CB -0.445 29.251 29.700 -0.005 0.000 0.746 686 E HN 0.495 nan 8.360 nan 0.000 0.452 687 L N -0.197 121.037 121.223 0.020 0.000 2.056 687 L HA -0.052 4.282 4.340 -0.009 0.000 0.207 687 L C 2.001 178.879 176.870 0.015 0.000 1.078 687 L CA 1.467 56.324 54.840 0.027 0.000 0.749 687 L CB -0.171 41.928 42.059 0.066 0.000 0.901 687 L HN 0.132 nan 8.230 nan 0.000 0.433 688 I N -1.087 119.492 120.570 0.015 0.000 2.353 688 I HA -0.212 3.952 4.170 -0.009 0.000 0.248 688 I C 2.365 178.456 176.117 -0.043 0.000 1.119 688 I CA 1.042 62.339 61.300 -0.005 0.000 1.417 688 I CB -0.261 37.735 38.000 -0.006 0.000 1.078 688 I HN 0.357 nan 8.210 nan 0.000 0.421 689 M N 0.920 120.481 119.600 -0.065 0.000 2.175 689 M HA -0.182 4.292 4.480 -0.009 0.000 0.264 689 M C 1.533 177.802 176.300 -0.053 0.000 1.063 689 M CA 1.834 57.082 55.300 -0.086 0.000 1.119 689 M CB -0.463 32.078 32.600 -0.097 0.000 1.377 689 M HN 0.061 nan 8.290 nan 0.000 0.415 690 D N -0.467 119.913 120.400 -0.033 0.000 2.178 690 D HA -0.115 4.519 4.640 -0.009 0.000 0.201 690 D C 2.030 178.327 176.300 -0.005 0.000 0.980 690 D CA 0.847 54.835 54.000 -0.019 0.000 0.842 690 D CB -0.209 40.584 40.800 -0.012 0.000 0.948 690 D HN 0.337 nan 8.370 nan 0.000 0.472 691 R N 0.220 120.720 120.500 -0.001 0.000 2.115 691 R HA 0.062 4.397 4.340 -0.009 0.000 0.226 691 R C 2.469 178.787 176.300 0.030 0.000 1.100 691 R CA 0.251 56.360 56.100 0.014 0.000 0.980 691 R CB -0.399 29.910 30.300 0.015 0.000 0.875 691 R HN 0.319 nan 8.270 nan 0.000 0.445 692 I N 0.626 121.207 120.570 0.019 0.000 2.252 692 I HA -0.228 3.937 4.170 -0.009 0.000 0.245 692 I C 2.326 178.485 176.117 0.071 0.000 1.102 692 I CA 1.112 62.440 61.300 0.046 0.000 1.385 692 I CB -0.227 37.772 38.000 -0.002 0.000 1.064 692 I HN 0.033 nan 8.210 nan 0.000 0.414 693 I N 0.814 121.395 120.570 0.019 0.000 2.264 693 I HA -0.325 3.840 4.170 -0.009 0.000 0.248 693 I C 2.786 178.956 176.117 0.088 0.000 1.111 693 I CA 2.100 63.409 61.300 0.016 0.000 1.382 693 I CB -0.463 37.514 38.000 -0.038 0.000 1.060 693 I HN 0.426 nan 8.210 nan 0.000 0.418 694 T N -1.390 113.204 114.554 0.066 0.000 2.904 694 T HA -0.205 4.140 4.350 -0.009 0.000 0.267 694 T C 1.921 176.674 174.700 0.089 0.000 1.059 694 T CA 1.100 63.241 62.100 0.069 0.000 1.137 694 T CB -0.215 68.678 68.868 0.041 0.000 0.879 694 T HN 0.284 nan 8.240 nan 0.000 0.467 695 K N -0.584 119.875 120.400 0.098 0.000 2.097 695 K HA -0.119 4.196 4.320 -0.009 0.000 0.205 695 K C 2.172 178.850 176.600 0.129 0.000 1.050 695 K CA 1.095 57.441 56.287 0.099 0.000 0.938 695 K CB -0.370 32.188 32.500 0.097 0.000 0.718 695 K HN 0.564 nan 8.250 nan 0.000 0.442 696 Y N 1.703 122.023 120.300 0.034 0.000 2.163 696 Y HA -0.215 4.329 4.550 -0.009 0.000 0.288 696 Y C 1.908 177.826 175.900 0.030 0.000 1.136 696 Y CA 1.713 59.834 58.100 0.035 0.000 1.147 696 Y CB -0.182 38.294 38.460 0.026 0.000 0.987 696 Y HN 0.170 nan 8.280 nan 0.000 0.509 697 N N 0.868 119.750 118.700 0.303 0.000 2.060 697 N HA -0.228 4.507 4.740 -0.009 0.000 0.195 697 N C 1.611 177.162 175.510 0.068 0.000 1.028 697 N CA 2.104 55.261 53.050 0.179 0.000 0.861 697 N CB -0.455 38.111 38.487 0.133 0.000 1.029 697 N HN 0.601 nan 8.380 nan 0.000 0.428 698 E N 0.751 120.983 120.200 0.054 0.000 2.077 698 E HA -0.114 4.231 4.350 -0.009 0.000 0.193 698 E C 1.902 178.508 176.600 0.009 0.000 0.989 698 E CA 0.824 57.241 56.400 0.028 0.000 0.800 698 E CB -0.028 29.690 29.700 0.030 0.000 0.746 698 E HN 0.370 nan 8.360 nan 0.000 0.452 699 K N 0.851 121.240 120.400 -0.018 0.000 2.032 699 K HA -0.226 4.089 4.320 -0.009 0.000 0.209 699 K C 2.243 178.839 176.600 -0.006 0.000 1.048 699 K CA 1.443 57.717 56.287 -0.022 0.000 0.927 699 K CB -0.104 32.328 32.500 -0.113 0.000 0.712 699 K HN 0.109 nan 8.250 nan 0.000 0.441 700 E N 1.132 121.260 120.200 -0.119 0.000 2.110 700 E HA -0.219 4.125 4.350 -0.009 0.000 0.193 700 E C 1.555 178.172 176.600 0.028 0.000 0.988 700 E CA 1.333 57.687 56.400 -0.078 0.000 0.804 700 E CB 0.163 29.807 29.700 -0.094 0.000 0.745 700 E HN 0.309 nan 8.360 nan 0.000 0.458 701 E N -0.005 120.210 120.200 0.025 0.000 2.106 701 E HA -0.196 4.148 4.350 -0.009 0.000 0.192 701 E C 2.180 178.794 176.600 0.023 0.000 0.984 701 E CA 0.940 57.356 56.400 0.027 0.000 0.806 701 E CB 0.008 29.721 29.700 0.020 0.000 0.750 701 E HN 0.290 nan 8.360 nan 0.000 0.458 702 Q N -0.501 119.314 119.800 0.024 0.000 2.172 702 Q HA -0.069 4.265 4.340 -0.009 0.000 0.200 702 Q C 1.488 177.459 176.000 -0.048 0.000 0.964 702 Q CA 0.928 56.720 55.803 -0.019 0.000 0.855 702 Q CB 0.077 28.791 28.738 -0.039 0.000 0.918 702 Q HN 0.206 nan 8.270 nan 0.000 0.444 703 F N -0.419 119.461 119.950 -0.117 0.000 2.335 703 F HA 0.157 4.678 4.527 -0.009 0.000 0.296 703 F C 1.164 176.917 175.800 -0.079 0.000 1.091 703 F CA 1.114 59.038 58.000 -0.127 0.000 1.399 703 F CB 0.306 39.202 39.000 -0.174 0.000 1.067 703 F HN 0.105 nan 8.300 nan 0.000 0.520 704 G N 0.567 109.443 108.800 0.128 0.000 2.777 704 G HA2 -0.249 3.705 3.960 -0.009 0.000 0.686 704 G HA3 -0.249 3.705 3.960 -0.009 0.000 0.686 704 G C 0.611 175.568 174.900 0.095 0.000 1.177 704 G CA -0.112 45.038 45.100 0.084 0.000 0.775 704 G HN 0.421 nan 8.290 nan 0.000 0.613 705 K N 0.619 121.054 120.400 0.058 0.000 2.057 705 K HA -0.045 4.269 4.320 -0.009 0.000 0.206 705 K C 1.873 178.501 176.600 0.047 0.000 1.050 705 K CA 1.667 57.981 56.287 0.045 0.000 0.935 705 K CB 0.024 32.548 32.500 0.040 0.000 0.715 705 K HN 0.592 nan 8.250 nan 0.000 0.439 706 E N 1.231 121.463 120.200 0.053 0.000 2.153 706 E HA -0.176 4.168 4.350 -0.009 0.000 0.194 706 E C 2.042 178.687 176.600 0.076 0.000 0.988 706 E CA 1.155 57.587 56.400 0.053 0.000 0.811 706 E CB 0.147 29.873 29.700 0.044 0.000 0.746 706 E HN 0.529 nan 8.360 nan 0.000 0.466 707 Q N -0.483 119.385 119.800 0.113 0.000 2.331 707 Q HA -0.092 4.243 4.340 -0.009 0.000 0.203 707 Q C 1.941 178.026 176.000 0.140 0.000 0.944 707 Q CA 0.646 56.563 55.803 0.189 0.000 0.892 707 Q CB -0.146 28.757 28.738 0.275 0.000 0.983 707 Q HN 0.262 nan 8.270 nan 0.000 0.482 708 M N 1.037 120.641 119.600 0.007 0.000 2.236 708 M HA -0.020 4.454 4.480 -0.009 0.000 0.266 708 M C 1.886 178.165 176.300 -0.035 0.000 1.070 708 M CA 1.334 56.515 55.300 -0.199 0.000 1.137 708 M CB 0.086 32.570 32.600 -0.194 0.000 1.378 708 M HN -0.072 nan 8.290 nan 0.000 0.426 709 R N 0.115 120.623 120.500 0.014 0.000 2.070 709 R HA -0.160 4.175 4.340 -0.009 0.000 0.233 709 R C 2.209 178.527 176.300 0.031 0.000 1.137 709 R CA 1.909 58.024 56.100 0.025 0.000 0.945 709 R CB -1.250 29.069 30.300 0.030 0.000 0.845 709 R HN 0.618 nan 8.270 nan 0.000 0.430 710 E N -0.003 120.236 120.200 0.066 0.000 2.070 710 E HA -0.219 4.125 4.350 -0.009 0.000 0.197 710 E C 1.836 178.480 176.600 0.073 0.000 1.004 710 E CA 1.302 57.752 56.400 0.083 0.000 0.805 710 E CB -0.207 29.568 29.700 0.126 0.000 0.744 710 E HN 0.230 nan 8.360 nan 0.000 0.451 711 F N 1.724 121.623 119.950 -0.086 0.000 2.102 711 F HA -0.153 4.368 4.527 -0.009 0.000 0.298 711 F C 1.941 177.664 175.800 -0.128 0.000 1.105 711 F CA 1.913 59.834 58.000 -0.132 0.000 1.239 711 F CB -0.159 38.635 39.000 -0.343 0.000 0.991 711 F HN 0.014 nan 8.300 nan 0.000 0.474 712 E N 0.121 120.194 120.200 -0.211 0.000 2.110 712 E HA -0.228 4.117 4.350 -0.009 0.000 0.193 712 E C 2.215 178.694 176.600 -0.202 0.000 0.988 712 E CA 1.104 57.351 56.400 -0.255 0.000 0.804 712 E CB -0.252 29.407 29.700 -0.069 0.000 0.745 712 E HN 0.265 nan 8.360 nan 0.000 0.458 713 K N 1.130 121.452 120.400 -0.130 0.000 2.025 713 K HA -0.105 4.210 4.320 -0.009 0.000 0.207 713 K C 2.194 178.706 176.600 -0.146 0.000 1.049 713 K CA 0.782 57.000 56.287 -0.116 0.000 0.933 713 K CB -0.371 32.082 32.500 -0.078 0.000 0.714 713 K HN 0.097 nan 8.250 nan 0.000 0.438 714 V N 1.501 121.323 119.914 -0.153 0.000 2.490 714 V HA -0.199 3.915 4.120 -0.009 0.000 0.250 714 V C 2.153 178.132 176.094 -0.192 0.000 1.061 714 V CA 1.342 63.548 62.300 -0.156 0.000 1.064 714 V CB -0.136 31.620 31.823 -0.113 0.000 0.670 714 V HN 0.262 nan 8.190 nan 0.000 0.461 715 I N -1.006 119.404 120.570 -0.266 0.000 2.235 715 I HA -0.120 4.045 4.170 -0.009 0.000 0.241 715 I C 2.383 178.417 176.117 -0.137 0.000 1.085 715 I CA 1.311 62.462 61.300 -0.249 0.000 1.378 715 I CB -0.376 37.409 38.000 -0.358 0.000 1.076 715 I HN 0.156 nan 8.210 nan 0.000 0.415 716 V N 1.425 121.260 119.914 -0.131 0.000 2.287 716 V HA -0.287 3.828 4.120 -0.009 0.000 0.248 716 V C 2.423 178.469 176.094 -0.079 0.000 1.053 716 V CA 1.752 64.000 62.300 -0.088 0.000 1.027 716 V CB -0.617 31.154 31.823 -0.087 0.000 0.646 716 V HN 0.370 nan 8.190 nan 0.000 0.447 717 L N -0.281 120.883 121.223 -0.098 0.000 2.131 717 L HA -0.181 4.153 4.340 -0.009 0.000 0.210 717 L C 2.726 179.558 176.870 -0.064 0.000 1.092 717 L CA 1.634 56.420 54.840 -0.089 0.000 0.759 717 L CB -0.605 41.383 42.059 -0.119 0.000 0.903 717 L HN 0.310 nan 8.230 nan 0.000 0.435 718 R N 0.831 121.287 120.500 -0.074 0.000 2.073 718 R HA -0.055 4.280 4.340 -0.009 0.000 0.229 718 R C 2.213 178.504 176.300 -0.016 0.000 1.120 718 R CA 1.566 57.634 56.100 -0.054 0.000 0.967 718 R CB -0.565 29.680 30.300 -0.091 0.000 0.862 718 R HN 0.249 nan 8.270 nan 0.000 0.436 719 A N -0.124 122.690 122.820 -0.011 0.000 1.877 719 A HA -0.082 4.233 4.320 -0.009 0.000 0.216 719 A C 2.319 179.913 177.584 0.017 0.000 1.186 719 A CA 1.786 53.834 52.037 0.018 0.000 0.620 719 A CB -0.792 18.218 19.000 0.016 0.000 0.822 719 A HN 0.176 nan 8.150 nan 0.000 0.443 720 V N 0.608 120.523 119.914 0.002 0.000 2.307 720 V HA -0.215 3.899 4.120 -0.009 0.000 0.245 720 V C 2.157 178.312 176.094 0.101 0.000 1.045 720 V CA 2.296 64.609 62.300 0.021 0.000 1.024 720 V CB -0.796 31.015 31.823 -0.020 0.000 0.651 720 V HN 0.500 nan 8.190 nan 0.000 0.449 721 D N 0.282 120.729 120.400 0.079 0.000 2.178 721 D HA -0.120 4.515 4.640 -0.009 0.000 0.201 721 D C 2.398 178.793 176.300 0.160 0.000 0.980 721 D CA 1.786 55.867 54.000 0.135 0.000 0.842 721 D CB -0.176 40.663 40.800 0.066 0.000 0.948 721 D HN 0.610 nan 8.370 nan 0.000 0.472 722 S N -0.215 115.547 115.700 0.102 0.000 2.439 722 S HA 0.011 4.475 4.470 -0.009 0.000 0.224 722 S C 1.709 176.367 174.600 0.096 0.000 1.029 722 S CA 0.264 58.515 58.200 0.084 0.000 0.946 722 S CB 0.138 63.368 63.200 0.050 0.000 0.797 722 S HN -0.030 nan 8.310 nan 0.000 0.504 723 K N 0.794 121.258 120.400 0.105 0.000 2.167 723 K HA 0.027 4.341 4.320 -0.009 0.000 0.203 723 K C 1.767 178.482 176.600 0.191 0.000 1.052 723 K CA 0.654 57.002 56.287 0.102 0.000 0.956 723 K CB -0.530 31.995 32.500 0.042 0.000 0.735 723 K HN 0.667 nan 8.250 nan 0.000 0.451 724 W N 1.863 123.182 121.300 0.032 0.000 2.358 724 W HA -0.193 4.461 4.660 -0.010 0.000 0.303 724 W C 1.936 178.531 176.519 0.127 0.000 1.208 724 W CA 0.987 58.383 57.345 0.084 0.000 1.274 724 W CB -0.088 29.429 29.460 0.095 0.000 1.138 724 W HN 0.030 nan 8.180 nan 0.000 0.515 725 M N 0.953 120.588 119.600 0.058 0.000 2.086 725 M HA -0.236 4.239 4.480 -0.009 0.000 0.261 725 M C 1.440 177.691 176.300 -0.082 0.000 1.067 725 M CA 2.415 57.680 55.300 -0.059 0.000 1.116 725 M CB -0.735 31.884 32.600 0.033 0.000 1.348 725 M HN -0.213 nan 8.290 nan 0.000 0.407 726 D N -0.696 119.699 120.400 -0.009 0.000 2.123 726 D HA -0.218 4.416 4.640 -0.009 0.000 0.196 726 D C 1.857 178.135 176.300 -0.036 0.000 0.992 726 D CA 1.648 55.643 54.000 -0.008 0.000 0.833 726 D CB -0.697 40.122 40.800 0.032 0.000 0.954 726 D HN 0.602 nan 8.370 nan 0.000 0.455 727 H N 0.433 119.425 119.070 -0.132 0.000 2.353 727 H HA -0.011 4.540 4.556 -0.009 0.000 0.300 727 H C 2.173 177.325 175.328 -0.294 0.000 1.090 727 H CA 1.258 57.206 56.048 -0.166 0.000 1.327 727 H CB -0.309 29.389 29.762 -0.107 0.000 1.383 727 H HN 0.063 nan 8.280 nan 0.000 0.508 728 I N 0.037 120.317 120.570 -0.483 0.000 2.163 728 I HA -0.292 3.873 4.170 -0.009 0.000 0.243 728 I C 2.270 178.218 176.117 -0.283 0.000 1.085 728 I CA 1.905 62.921 61.300 -0.474 0.000 1.347 728 I CB -0.337 37.381 38.000 -0.469 0.000 1.044 728 I HN 0.389 nan 8.210 nan 0.000 0.408 729 D N 0.878 121.156 120.400 -0.203 0.000 2.104 729 D HA -0.193 4.441 4.640 -0.009 0.000 0.194 729 D C 2.120 178.337 176.300 -0.139 0.000 0.994 729 D CA 1.711 55.636 54.000 -0.125 0.000 0.830 729 D CB 0.039 40.799 40.800 -0.067 0.000 0.959 729 D HN 0.315 nan 8.370 nan 0.000 0.452 730 A N -0.074 122.647 122.820 -0.166 0.000 1.930 730 A HA -0.090 4.224 4.320 -0.009 0.000 0.217 730 A C 2.217 179.687 177.584 -0.190 0.000 1.175 730 A CA 1.257 53.200 52.037 -0.156 0.000 0.627 730 A CB -0.463 18.457 19.000 -0.134 0.000 0.815 730 A HN 0.240 nan 8.150 nan 0.000 0.443 731 M N -0.243 119.179 119.600 -0.296 0.000 2.175 731 M HA -0.119 4.356 4.480 -0.009 0.000 0.264 731 M C 1.736 178.000 176.300 -0.059 0.000 1.063 731 M CA 1.730 56.905 55.300 -0.208 0.000 1.119 731 M CB -1.221 31.198 32.600 -0.303 0.000 1.377 731 M HN 0.519 nan 8.290 nan 0.000 0.415 732 D N 0.163 120.495 120.400 -0.113 0.000 2.117 732 D HA -0.149 4.485 4.640 -0.009 0.000 0.198 732 D C 1.969 178.181 176.300 -0.147 0.000 0.982 732 D CA 1.392 55.335 54.000 -0.094 0.000 0.828 732 D CB 0.036 40.775 40.800 -0.102 0.000 0.967 732 D HN 0.425 nan 8.370 nan 0.000 0.464 733 Q N -0.496 119.172 119.800 -0.220 0.000 2.079 733 Q HA -0.111 4.224 4.340 -0.009 0.000 0.200 733 Q C 2.255 178.132 176.000 -0.205 0.000 0.974 733 Q CA 0.821 56.376 55.803 -0.413 0.000 0.840 733 Q CB -0.169 28.331 28.738 -0.397 0.000 0.898 733 Q HN 0.288 nan 8.270 nan 0.000 0.430 734 L N 1.221 122.412 121.223 -0.053 0.000 2.013 734 L HA -0.247 4.087 4.340 -0.009 0.000 0.212 734 L C 2.419 179.366 176.870 0.128 0.000 1.073 734 L CA 1.954 56.840 54.840 0.077 0.000 0.753 734 L CB -0.429 41.699 42.059 0.116 0.000 0.890 734 L HN 0.058 nan 8.230 nan 0.000 0.432 735 R N -0.983 119.588 120.500 0.119 0.000 2.070 735 R HA -0.193 4.142 4.340 -0.009 0.000 0.233 735 R C 2.358 178.592 176.300 -0.109 0.000 1.137 735 R CA 1.938 57.988 56.100 -0.084 0.000 0.945 735 R CB -0.343 29.861 30.300 -0.159 0.000 0.845 735 R HN 0.545 nan 8.270 nan 0.000 0.430 736 Q N -1.114 118.636 119.800 -0.083 0.000 2.173 736 Q HA -0.146 4.189 4.340 -0.009 0.000 0.208 736 Q C 1.389 177.426 176.000 0.063 0.000 0.989 736 Q CA 1.592 57.379 55.803 -0.027 0.000 0.872 736 Q CB -0.107 28.612 28.738 -0.032 0.000 0.909 736 Q HN 0.538 nan 8.270 nan 0.000 0.420 737 G N -0.736 108.120 108.800 0.093 0.000 3.690 737 G HA2 0.118 4.072 3.960 -0.009 0.000 0.283 737 G HA3 0.118 4.072 3.960 -0.009 0.000 0.283 737 G C 0.737 175.704 174.900 0.112 0.000 1.057 737 G CA -0.325 44.868 45.100 0.155 0.000 0.821 737 G HN 0.171 nan 8.290 nan 0.000 0.526 738 I N -0.109 120.488 120.570 0.044 0.000 2.493 738 I HA -0.044 4.120 4.170 -0.009 0.000 0.254 738 I C 2.110 178.203 176.117 -0.041 0.000 1.160 738 I CA 0.981 62.283 61.300 0.004 0.000 1.445 738 I CB -0.046 37.928 38.000 -0.043 0.000 1.086 738 I HN 0.246 nan 8.210 nan 0.000 0.433 739 H N 0.079 119.154 119.070 0.007 0.000 2.543 739 H HA 0.036 4.586 4.556 -0.009 0.000 0.286 739 H C 1.689 177.025 175.328 0.012 0.000 1.037 739 H CA 1.087 57.135 56.048 -0.000 0.000 1.250 739 H CB 0.043 29.788 29.762 -0.028 0.000 1.373 739 H HN 0.370 nan 8.280 nan 0.000 0.580 740 L N -0.567 120.728 121.223 0.120 0.000 2.607 740 L HA 0.129 4.463 4.340 -0.009 0.000 0.228 740 L C 2.043 178.946 176.870 0.055 0.000 1.123 740 L CA 0.157 55.056 54.840 0.097 0.000 0.890 740 L CB 0.269 42.400 42.059 0.121 0.000 1.103 740 L HN -0.005 nan 8.230 nan 0.000 0.468 741 R N 0.392 120.899 120.500 0.012 0.000 2.225 741 R HA 0.293 4.627 4.340 -0.009 0.000 0.194 741 R C 0.960 177.211 176.300 -0.080 0.000 0.957 741 R CA 0.203 56.245 56.100 -0.095 0.000 1.042 741 R CB 0.413 30.677 30.300 -0.059 0.000 1.004 741 R HN 0.200 nan 8.270 nan 0.000 0.509 742 A N 0.388 123.210 122.820 0.003 0.000 2.351 742 A HA 0.119 4.434 4.320 -0.009 0.000 0.257 742 A C -0.364 177.277 177.584 0.095 0.000 1.087 742 A CA -0.009 52.078 52.037 0.083 0.000 0.798 742 A CB 0.013 19.049 19.000 0.060 0.000 1.033 742 A HN 0.488 nan 8.150 nan 0.000 0.488 743 Y N -1.080 119.195 120.300 -0.042 0.000 4.569 743 Y HA -0.223 4.321 4.550 -0.009 0.000 0.237 743 Y C 0.976 176.869 175.900 -0.011 0.000 1.090 743 Y CA 0.520 58.601 58.100 -0.032 0.000 2.052 743 Y CB -1.931 36.502 38.460 -0.046 0.000 1.621 743 Y HN 1.369 nan 8.280 nan 0.000 0.682 744 A N 1.412 124.163 122.820 -0.115 0.000 2.586 744 A HA 0.237 4.552 4.320 -0.009 0.000 0.231 744 A C 1.082 178.495 177.584 -0.285 0.000 1.055 744 A CA 0.725 52.678 52.037 -0.140 0.000 0.756 744 A CB 0.116 19.087 19.000 -0.048 0.000 0.988 744 A HN 0.506 nan 8.150 nan 0.000 0.509 745 Q N 2.328 121.994 119.800 -0.222 0.000 2.302 745 Q HA 0.131 4.466 4.340 -0.009 0.000 0.332 745 Q C 0.237 176.174 176.000 -0.105 0.000 0.913 745 Q CA 0.103 55.837 55.803 -0.115 0.000 1.098 745 Q CB -0.991 27.707 28.738 -0.066 0.000 1.236 745 Q HN 0.672 nan 8.270 nan 0.000 0.436 746 T N 1.159 115.620 114.554 -0.154 0.000 2.903 746 T HA -0.002 4.342 4.350 -0.009 0.000 0.314 746 T C 0.246 174.932 174.700 -0.022 0.000 1.078 746 T CA -0.152 61.905 62.100 -0.072 0.000 1.114 746 T CB 0.369 69.223 68.868 -0.023 0.000 0.987 746 T HN 0.405 nan 8.240 nan 0.000 0.548 747 N N 3.617 122.312 118.700 -0.007 0.000 2.420 747 N HA 0.154 4.888 4.740 -0.009 0.000 0.262 747 N C -1.726 173.788 175.510 0.006 0.000 1.144 747 N CA -1.603 51.450 53.050 0.006 0.000 0.952 747 N CB 1.541 40.028 38.487 0.000 0.000 1.081 747 N HN 0.494 nan 8.380 nan 0.000 0.480 748 P HA -0.087 nan 4.420 nan 0.000 0.228 748 P C 1.507 178.830 177.300 0.039 0.000 1.151 748 P CA 0.170 63.274 63.100 0.006 0.000 0.770 748 P CB 0.301 31.938 31.700 -0.105 0.000 0.786 749 L N 0.385 121.589 121.223 -0.031 0.000 2.013 749 L HA -0.154 4.181 4.340 -0.009 0.000 0.212 749 L C 2.422 179.223 176.870 -0.115 0.000 1.073 749 L CA 1.935 56.613 54.840 -0.270 0.000 0.753 749 L CB -0.839 40.985 42.059 -0.392 0.000 0.890 749 L HN -0.179 nan 8.230 nan 0.000 0.432 750 R N -0.880 119.580 120.500 -0.066 0.000 2.092 750 R HA -0.197 4.137 4.340 -0.009 0.000 0.231 750 R C 2.228 178.519 176.300 -0.015 0.000 1.119 750 R CA 1.383 57.454 56.100 -0.048 0.000 0.970 750 R CB -0.095 30.179 30.300 -0.043 0.000 0.864 750 R HN 0.465 nan 8.270 nan 0.000 0.440 751 E N -0.268 119.942 120.200 0.017 0.000 2.077 751 E HA -0.223 4.121 4.350 -0.009 0.000 0.193 751 E C 1.632 178.277 176.600 0.075 0.000 0.989 751 E CA 1.360 57.779 56.400 0.033 0.000 0.800 751 E CB -0.447 29.274 29.700 0.035 0.000 0.746 751 E HN 0.378 nan 8.360 nan 0.000 0.452 752 Y N 1.088 121.375 120.300 -0.022 0.000 2.145 752 Y HA -0.189 4.356 4.550 -0.009 0.000 0.286 752 Y C 2.100 177.999 175.900 -0.002 0.000 1.145 752 Y CA 2.214 60.319 58.100 0.007 0.000 1.148 752 Y CB -0.317 38.173 38.460 0.050 0.000 0.981 752 Y HN 0.114 nan 8.280 nan 0.000 0.507 753 Q N -0.739 119.032 119.800 -0.049 0.000 2.084 753 Q HA -0.234 4.100 4.340 -0.009 0.000 0.202 753 Q C 2.428 178.385 176.000 -0.073 0.000 0.978 753 Q CA 1.859 57.591 55.803 -0.119 0.000 0.844 753 Q CB -0.241 28.451 28.738 -0.077 0.000 0.898 753 Q HN 0.523 nan 8.270 nan 0.000 0.426 754 M N 0.643 120.214 119.600 -0.047 0.000 2.156 754 M HA -0.160 4.314 4.480 -0.009 0.000 0.264 754 M C 1.412 177.743 176.300 0.050 0.000 1.067 754 M CA 1.698 56.988 55.300 -0.016 0.000 1.131 754 M CB -0.073 32.502 32.600 -0.040 0.000 1.368 754 M HN 0.168 nan 8.290 nan 0.000 0.416 755 E N -0.349 119.853 120.200 0.003 0.000 2.106 755 E HA -0.097 4.248 4.350 -0.009 0.000 0.192 755 E C 1.940 178.536 176.600 -0.008 0.000 0.984 755 E CA 1.097 57.504 56.400 0.011 0.000 0.806 755 E CB -0.332 29.373 29.700 0.008 0.000 0.750 755 E HN 0.694 nan 8.360 nan 0.000 0.458 756 G N 1.161 109.881 108.800 -0.134 0.000 2.440 756 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.218 756 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.218 756 G C 1.392 176.337 174.900 0.076 0.000 1.154 756 G CA 0.503 45.515 45.100 -0.148 0.000 0.767 756 G HN 0.244 nan 8.290 nan 0.000 0.552 757 F N 2.220 122.141 119.950 -0.048 0.000 2.134 757 F HA 0.091 4.613 4.527 -0.009 0.000 0.299 757 F C 2.797 178.658 175.800 0.102 0.000 1.097 757 F CA 1.510 59.522 58.000 0.020 0.000 1.264 757 F CB -0.112 38.874 39.000 -0.023 0.000 1.001 757 F HN 0.224 nan 8.300 nan 0.000 0.479 758 A N 0.600 123.586 122.820 0.277 0.000 1.898 758 A HA -0.215 4.099 4.320 -0.009 0.000 0.216 758 A C 2.377 180.024 177.584 0.105 0.000 1.181 758 A CA 1.701 53.841 52.037 0.172 0.000 0.620 758 A CB -0.945 18.146 19.000 0.153 0.000 0.819 758 A HN 0.586 nan 8.150 nan 0.000 0.442 759 M N -1.853 117.823 119.600 0.126 0.000 2.108 759 M HA -0.141 4.333 4.480 -0.009 0.000 0.261 759 M C 2.025 178.485 176.300 0.267 0.000 1.066 759 M CA 2.078 57.484 55.300 0.176 0.000 1.107 759 M CB -0.265 32.431 32.600 0.159 0.000 1.356 759 M HN 0.467 nan 8.290 nan 0.000 0.406 760 F N 1.399 121.400 119.950 0.085 0.000 2.095 760 F HA -0.238 4.283 4.527 -0.009 0.000 0.298 760 F C 2.143 177.835 175.800 -0.181 0.000 1.104 760 F CA 2.045 59.965 58.000 -0.134 0.000 1.232 760 F CB -0.348 38.547 39.000 -0.174 0.000 0.987 760 F HN 0.231 nan 8.300 nan 0.000 0.475 761 E N -0.998 119.148 120.200 -0.089 0.000 2.070 761 E HA -0.353 3.991 4.350 -0.009 0.000 0.197 761 E C 2.086 178.606 176.600 -0.134 0.000 1.004 761 E CA 1.804 58.104 56.400 -0.168 0.000 0.805 761 E CB -0.637 28.976 29.700 -0.144 0.000 0.744 761 E HN 0.620 nan 8.360 nan 0.000 0.451 762 H N 0.601 119.595 119.070 -0.126 0.000 2.387 762 H HA -0.079 4.472 4.556 -0.009 0.000 0.299 762 H C 2.125 177.369 175.328 -0.139 0.000 1.090 762 H CA 1.894 57.881 56.048 -0.101 0.000 1.332 762 H CB -0.052 29.677 29.762 -0.055 0.000 1.386 762 H HN 0.080 nan 8.280 nan 0.000 0.516 763 M N -0.305 119.191 119.600 -0.173 0.000 2.132 763 M HA -0.137 4.337 4.480 -0.009 0.000 0.263 763 M C 1.440 177.525 176.300 -0.359 0.000 1.065 763 M CA 1.485 56.624 55.300 -0.267 0.000 1.122 763 M CB 0.050 32.442 32.600 -0.347 0.000 1.365 763 M HN 0.333 nan 8.290 nan 0.000 0.411 764 I N 0.919 121.212 120.570 -0.461 0.000 2.286 764 I HA -0.255 3.910 4.170 -0.009 0.000 0.248 764 I C 2.062 178.025 176.117 -0.256 0.000 1.115 764 I CA 1.611 62.681 61.300 -0.383 0.000 1.392 764 I CB -1.387 36.373 38.000 -0.400 0.000 1.065 764 I HN 0.432 nan 8.210 nan 0.000 0.418 765 E N 0.278 120.326 120.200 -0.254 0.000 2.106 765 E HA -0.137 4.208 4.350 -0.009 0.000 0.192 765 E C 2.336 178.801 176.600 -0.225 0.000 0.984 765 E CA 1.270 57.544 56.400 -0.210 0.000 0.806 765 E CB -0.025 29.557 29.700 -0.197 0.000 0.750 765 E HN 0.334 nan 8.360 nan 0.000 0.458 766 S N 0.924 116.443 115.700 -0.302 0.000 2.356 766 S HA -0.130 4.335 4.470 -0.009 0.000 0.223 766 S C 2.047 176.557 174.600 -0.150 0.000 1.032 766 S CA 0.809 58.864 58.200 -0.241 0.000 1.005 766 S CB -0.161 62.889 63.200 -0.251 0.000 0.867 766 S HN 0.182 nan 8.310 nan 0.000 0.449 767 I N 1.559 122.042 120.570 -0.145 0.000 2.163 767 I HA -0.233 3.932 4.170 -0.009 0.000 0.243 767 I C 2.517 178.584 176.117 -0.083 0.000 1.085 767 I CA 1.357 62.599 61.300 -0.097 0.000 1.347 767 I CB -0.421 37.512 38.000 -0.111 0.000 1.044 767 I HN 0.341 nan 8.210 nan 0.000 0.408 768 E N 0.659 120.800 120.200 -0.099 0.000 2.058 768 E HA -0.254 4.091 4.350 -0.009 0.000 0.194 768 E C 1.765 178.333 176.600 -0.054 0.000 0.997 768 E CA 1.605 57.962 56.400 -0.071 0.000 0.801 768 E CB -0.133 29.522 29.700 -0.076 0.000 0.746 768 E HN 0.485 nan 8.360 nan 0.000 0.450 769 D N 0.325 120.679 120.400 -0.076 0.000 2.117 769 D HA -0.168 4.466 4.640 -0.009 0.000 0.198 769 D C 1.827 178.037 176.300 -0.150 0.000 0.982 769 D CA 0.920 54.870 54.000 -0.084 0.000 0.828 769 D CB -0.248 40.490 40.800 -0.104 0.000 0.967 769 D HN 0.248 nan 8.370 nan 0.000 0.464 770 E N 0.652 120.764 120.200 -0.145 0.000 2.031 770 E HA -0.152 4.192 4.350 -0.009 0.000 0.193 770 E C 2.113 178.640 176.600 -0.122 0.000 0.994 770 E CA 1.046 57.331 56.400 -0.191 0.000 0.800 770 E CB 0.091 29.796 29.700 0.009 0.000 0.752 770 E HN -0.027 nan 8.360 nan 0.000 0.447 771 V N 1.559 121.472 119.914 -0.003 0.000 2.252 771 V HA -0.341 3.774 4.120 -0.009 0.000 0.249 771 V C 2.534 178.640 176.094 0.021 0.000 1.056 771 V CA 2.097 64.417 62.300 0.033 0.000 1.022 771 V CB -1.080 30.743 31.823 -0.000 0.000 0.641 771 V HN 0.501 nan 8.190 nan 0.000 0.445 772 A N 0.064 122.887 122.820 0.006 0.000 1.865 772 A HA -0.317 3.998 4.320 -0.009 0.000 0.217 772 A C 2.261 179.861 177.584 0.026 0.000 1.191 772 A CA 2.544 54.626 52.037 0.076 0.000 0.623 772 A CB -0.595 18.506 19.000 0.170 0.000 0.826 772 A HN 0.533 nan 8.150 nan 0.000 0.444 773 K N -0.742 119.563 120.400 -0.159 0.000 2.009 773 K HA -0.134 4.181 4.320 -0.009 0.000 0.210 773 K C 1.605 178.099 176.600 -0.177 0.000 1.049 773 K CA 2.130 58.238 56.287 -0.300 0.000 0.929 773 K CB -0.566 31.589 32.500 -0.575 0.000 0.714 773 K HN 0.494 nan 8.250 nan 0.000 0.440 774 F N -0.084 119.864 119.950 -0.003 0.000 2.128 774 F HA -0.150 4.371 4.527 -0.009 0.000 0.295 774 F C 2.313 178.154 175.800 0.067 0.000 1.100 774 F CA 0.851 58.856 58.000 0.008 0.000 1.260 774 F CB -0.391 38.575 39.000 -0.058 0.000 1.009 774 F HN 0.013 nan 8.300 nan 0.000 0.476 775 V N -1.181 118.856 119.914 0.205 0.000 2.515 775 V HA -0.220 3.894 4.120 -0.009 0.000 0.250 775 V C 2.011 178.264 176.094 0.265 0.000 1.058 775 V CA 1.411 63.857 62.300 0.244 0.000 1.064 775 V CB -0.334 31.579 31.823 0.151 0.000 0.675 775 V HN 0.255 nan 8.190 nan 0.000 0.461 776 M N 0.177 119.896 119.600 0.199 0.000 2.248 776 M HA 0.140 4.614 4.480 -0.009 0.000 0.265 776 M C 2.171 178.554 176.300 0.138 0.000 1.079 776 M CA 1.956 57.359 55.300 0.172 0.000 1.150 776 M CB -0.811 31.898 32.600 0.182 0.000 1.366 776 M HN 0.451 nan 8.290 nan 0.000 0.433 777 K N 0.087 120.564 120.400 0.128 0.000 2.308 777 K HA 0.312 4.627 4.320 -0.009 0.000 0.197 777 K C 0.415 177.107 176.600 0.154 0.000 1.049 777 K CA 0.300 56.647 56.287 0.101 0.000 0.991 777 K CB 0.330 32.851 32.500 0.034 0.000 0.836 777 K HN 0.153 nan 8.250 nan 0.000 0.500 778 A N 1.390 124.360 122.820 0.249 0.000 2.322 778 A HA 0.353 4.668 4.320 -0.009 0.000 0.269 778 A C -0.321 177.407 177.584 0.241 0.000 1.094 778 A CA -0.483 51.719 52.037 0.275 0.000 0.807 778 A CB 0.252 19.478 19.000 0.376 0.000 1.047 778 A HN 0.458 nan 8.150 nan 0.000 0.487 779 E N 0.000 120.296 120.200 0.160 0.000 2.725 779 E HA 0.000 4.344 4.350 -0.009 0.000 0.291 779 E CA 0.000 56.483 56.400 0.139 0.000 0.976 779 E CB 0.000 29.778 29.700 0.131 0.000 0.812 779 E HN 0.000 nan 8.360 nan 0.000 0.440