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 3b8e_1_A DATA FIRST_RESID 19 DATA SEQUENCE AKKERDMDEL KKEVSMDDHK LSLDELHRKY GTDLSRGLTP ARAAEILARD DATA SEQUENCE GPNALTPPPT TPEWVKFCRQ LFGGFSMLLW IGAILCFLAY GIQAATEEEP DATA SEQUENCE QNDNLYLGVV LSAVVIITGC FSYYQEAKSS KIMESFKNMV PQQALVIRNG DATA SEQUENCE EKMSINAEEV VVGDLVEVKG GDRIPADLRI ISANGCKVDN SSLTGESEPQ DATA SEQUENCE TRSPDFTNEN PLETRNIAFF STNCVEGTAR GIVVYTGDRT VMGRIATLAS DATA SEQUENCE GLEGGQTPIA AEIEHFIHII TGVAVFLGVS FFILSLILEY TWLEAVIFLI DATA SEQUENCE GIIVANVPEG LLATVTVCLT LTAKRMARKN CLVKNLEAVE TLGSTSTICS DATA SEQUENCE DKTGTLTQNR MTVAHMWSDN QIHEADTTEN QSGVSFDKTS ATWLALSRIA DATA SEQUENCE GLCNRAVFQA NQENLPILKR AVAGDASESA LLKCIELCCG SVKEMRERYT DATA SEQUENCE KIVEIPFNST NKYQLSIHKN PNTAEPRHLL VMKGAPERIL DRCSSILIHG DATA SEQUENCE KEQPLDEELK DAFQNAYLEL GGLGERVLGF CHLFLPDEQF PEGFQFDTDD DATA SEQUENCE VNFPLDNLCF VGLISMIDPP RAAVPDAVGK CRSAGIKVIM VTGDHPITAK DATA SEQUENCE AIAKGVGIIS EGNETVEDIA ARLNIPVSQV NPRDAKACVV HGSDLKDMTS DATA SEQUENCE EQLDDILKYH TEIVFARTSP QQKLIIVEGC QRQGAIVAVT GDGVNDSPAS DATA SEQUENCE KKADIGVAMG IAGSDVSKQA ADMILLDDNF ASIVTGVEEG RLIFDNLKKS DATA SEQUENCE IAYTLTSNIP EITPFLIFII ANIPLPLGTV TILCIDLGTD MVPAISLAYE DATA SEQUENCE QAESDIMKRQ PRNPKTDKLV NEQLISMAYG QIGMIQALGG FFTYFVILAE DATA SEQUENCE NGFLPIHLLG LRVNWDDRWI NDVEDSYGQQ WTYEQRKIVE FTCHTPFFVT DATA SEQUENCE IVVVQWADLV ICKTRRNSVF QQGMKNKILI FGLFEETALA AFLSYCPGMG DATA SEQUENCE VALRMYPLKP TWWFCAFPYS LLIFVYDEVR KLIIRRRPGG WVEKETYY 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.572 177.584 -0.020 0.000 1.274 19 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 19 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 20 K N 0.801 121.189 120.400 -0.021 0.000 2.092 20 K HA 0.699 5.016 4.320 -0.004 0.000 0.256 20 K C 0.535 177.124 176.600 -0.019 0.000 1.041 20 K CA -0.760 55.515 56.287 -0.019 0.000 1.070 20 K CB 0.151 32.640 32.500 -0.019 0.000 1.707 20 K HN 0.268 nan 8.250 nan 0.000 0.750 21 K N 1.248 121.637 120.400 -0.018 0.000 2.400 21 K HA 0.058 4.376 4.320 -0.004 0.000 0.253 21 K C 1.122 177.710 176.600 -0.021 0.000 1.076 21 K CA 0.492 56.769 56.287 -0.018 0.000 0.887 21 K CB 0.132 32.623 32.500 -0.016 0.000 1.168 21 K HN 0.433 nan 8.250 nan 0.000 0.505 22 E N 0.737 120.925 120.200 -0.020 0.000 2.276 22 E HA 0.006 4.354 4.350 -0.004 0.000 0.193 22 E C 1.313 177.899 176.600 -0.023 0.000 0.983 22 E CA 0.389 56.776 56.400 -0.022 0.000 0.861 22 E CB 0.237 29.925 29.700 -0.020 0.000 0.817 22 E HN 0.240 nan 8.360 nan 0.000 0.485 23 R N 1.336 121.824 120.500 -0.021 0.000 2.346 23 R HA -0.036 4.302 4.340 -0.004 0.000 0.208 23 R C 0.724 177.011 176.300 -0.023 0.000 1.052 23 R CA 0.508 56.596 56.100 -0.020 0.000 1.116 23 R CB 0.091 30.381 30.300 -0.017 0.000 1.003 23 R HN 0.222 nan 8.270 nan 0.000 0.482 24 D N -1.628 118.757 120.400 -0.026 0.000 2.017 24 D HA -0.027 4.611 4.640 -0.004 0.000 0.336 24 D C 1.352 177.631 176.300 -0.035 0.000 1.104 24 D CA -0.211 53.772 54.000 -0.029 0.000 0.965 24 D CB 0.218 41.003 40.800 -0.025 0.000 1.864 24 D HN -0.051 nan 8.370 nan 0.000 0.538 25 M N 0.944 120.524 119.600 -0.034 0.000 2.460 25 M HA -0.029 4.449 4.480 -0.004 0.000 0.263 25 M C -0.113 176.161 176.300 -0.043 0.000 1.071 25 M CA 1.673 56.949 55.300 -0.039 0.000 1.096 25 M CB -0.176 32.404 32.600 -0.034 0.000 1.408 25 M HN -0.039 nan 8.290 nan 0.000 0.463 26 D N -0.369 120.007 120.400 -0.039 0.000 2.783 26 D HA 0.119 4.756 4.640 -0.004 0.000 0.306 26 D C -0.303 175.974 176.300 -0.038 0.000 1.633 26 D CA 0.132 54.108 54.000 -0.041 0.000 0.796 26 D CB 0.541 41.319 40.800 -0.036 0.000 1.230 26 D HN 0.152 nan 8.370 nan 0.000 0.441 27 E N 0.409 120.587 120.200 -0.037 0.000 3.085 27 E HA 0.098 4.446 4.350 -0.004 0.000 0.179 27 E C -0.153 176.426 176.600 -0.034 0.000 0.951 27 E CA -0.064 56.316 56.400 -0.033 0.000 1.326 27 E CB 1.062 30.746 29.700 -0.027 0.000 1.043 27 E HN 0.147 nan 8.360 nan 0.000 0.457 28 L N 1.319 122.517 121.223 -0.041 0.000 3.094 28 L HA 0.236 4.573 4.340 -0.004 0.000 0.254 28 L C 0.370 177.211 176.870 -0.049 0.000 1.298 28 L CA 0.279 55.093 54.840 -0.043 0.000 1.050 28 L CB 0.198 42.228 42.059 -0.047 0.000 1.420 28 L HN -0.187 nan 8.230 nan 0.000 0.548 29 K N -0.415 119.957 120.400 -0.046 0.000 2.469 29 K HA 0.185 4.502 4.320 -0.004 0.000 0.204 29 K C 1.131 177.707 176.600 -0.039 0.000 1.047 29 K CA 0.035 56.293 56.287 -0.048 0.000 1.072 29 K CB 0.164 32.631 32.500 -0.054 0.000 0.863 29 K HN 0.394 nan 8.250 nan 0.000 0.530 30 K N 0.637 121.018 120.400 -0.032 0.000 2.525 30 K HA 0.092 4.409 4.320 -0.004 0.000 0.192 30 K C -0.200 176.389 176.600 -0.019 0.000 1.029 30 K CA 0.457 56.729 56.287 -0.025 0.000 1.029 30 K CB 0.228 32.715 32.500 -0.021 0.000 0.814 30 K HN 0.076 nan 8.250 nan 0.000 0.503 31 E N 0.116 120.303 120.200 -0.022 0.000 2.339 31 E HA 0.261 4.609 4.350 -0.004 0.000 0.262 31 E C 0.123 176.711 176.600 -0.019 0.000 0.934 31 E CA -0.900 55.492 56.400 -0.015 0.000 0.802 31 E CB 2.232 31.923 29.700 -0.015 0.000 1.275 31 E HN -0.051 nan 8.360 nan 0.000 0.427 32 V N -1.839 118.070 119.914 -0.009 0.000 3.177 32 V HA 0.040 4.157 4.120 -0.004 0.000 0.220 32 V C 1.019 177.118 176.094 0.008 0.000 1.395 32 V CA -0.108 62.186 62.300 -0.009 0.000 1.317 32 V CB 0.051 31.869 31.823 -0.007 0.000 1.148 32 V HN 0.493 nan 8.190 nan 0.000 0.499 33 S N 0.617 116.331 115.700 0.023 0.000 2.550 33 S HA 0.172 4.639 4.470 -0.004 0.000 0.226 33 S C 0.572 175.207 174.600 0.059 0.000 1.418 33 S CA 1.120 59.347 58.200 0.044 0.000 1.057 33 S CB -0.366 62.861 63.200 0.046 0.000 0.743 33 S HN 0.854 nan 8.310 nan 0.000 0.458 34 M N 0.966 120.611 119.600 0.075 0.000 3.782 34 M HA -0.116 4.362 4.480 -0.004 0.000 0.163 34 M C -1.945 174.455 176.300 0.166 0.000 1.472 34 M CA 0.240 55.599 55.300 0.099 0.000 1.012 34 M CB -1.398 31.244 32.600 0.071 0.000 1.326 34 M HN 0.515 nan 8.290 nan 0.000 0.424 35 D N 1.653 122.153 120.400 0.166 0.000 2.753 35 D HA 0.627 5.265 4.640 -0.004 0.000 0.224 35 D C -1.539 174.910 176.300 0.249 0.000 1.213 35 D CA -0.160 53.963 54.000 0.204 0.000 0.833 35 D CB 1.379 42.253 40.800 0.123 0.000 1.607 35 D HN 0.375 nan 8.370 nan 0.000 0.463 36 D N 1.111 121.649 120.400 0.230 0.000 2.440 36 D HA 0.233 4.871 4.640 -0.004 0.000 0.252 36 D C 0.028 176.460 176.300 0.219 0.000 1.180 36 D CA -0.220 53.893 54.000 0.188 0.000 0.894 36 D CB 0.797 41.636 40.800 0.065 0.000 1.111 36 D HN 0.550 nan 8.370 nan 0.000 0.544 37 H N 0.466 119.550 119.070 0.023 0.000 3.780 37 H HA 0.039 4.592 4.556 -0.004 0.000 0.266 37 H C -0.179 175.161 175.328 0.021 0.000 1.144 37 H CA -0.270 55.792 56.048 0.024 0.000 1.176 37 H CB 0.096 29.873 29.762 0.024 0.000 1.690 37 H HN 0.251 nan 8.280 nan 0.000 0.835 38 K N 1.996 121.872 120.400 -0.872 0.000 3.129 38 K HA 0.454 4.772 4.320 -0.004 0.000 0.224 38 K C -0.848 175.594 176.600 -0.264 0.000 1.249 38 K CA -0.492 55.402 56.287 -0.654 0.000 1.177 38 K CB 0.048 32.181 32.500 -0.612 0.000 1.393 38 K HN 0.062 nan 8.250 nan 0.000 0.459 39 L N -1.824 119.296 121.223 -0.171 0.000 2.409 39 L HA 0.500 4.838 4.340 -0.004 0.000 0.262 39 L C -0.101 176.739 176.870 -0.050 0.000 0.992 39 L CA -1.275 53.513 54.840 -0.087 0.000 0.817 39 L CB 1.117 43.140 42.059 -0.061 0.000 1.350 39 L HN 0.247 nan 8.230 nan 0.000 0.411 40 S N 0.859 116.536 115.700 -0.037 0.000 2.558 40 S HA 0.183 4.650 4.470 -0.004 0.000 0.291 40 S C 1.150 175.751 174.600 0.000 0.000 1.306 40 S CA -0.333 57.855 58.200 -0.020 0.000 1.056 40 S CB 0.222 63.409 63.200 -0.022 0.000 0.836 40 S HN 0.607 nan 8.310 nan 0.000 0.504 41 L N 1.571 122.800 121.223 0.010 0.000 2.129 41 L HA -0.089 4.249 4.340 -0.004 0.000 0.212 41 L C 2.322 179.220 176.870 0.047 0.000 1.087 41 L CA 1.949 56.810 54.840 0.036 0.000 0.757 41 L CB -1.167 40.909 42.059 0.029 0.000 0.896 41 L HN 0.807 nan 8.230 nan 0.000 0.434 42 D N -0.043 120.360 120.400 0.004 0.000 2.078 42 D HA -0.179 4.459 4.640 -0.004 0.000 0.193 42 D C 2.123 178.438 176.300 0.026 0.000 0.990 42 D CA 1.290 55.275 54.000 -0.025 0.000 0.827 42 D CB 0.061 40.830 40.800 -0.051 0.000 0.975 42 D HN 0.390 nan 8.370 nan 0.000 0.451 43 E N -0.517 119.688 120.200 0.008 0.000 2.085 43 E HA -0.191 4.157 4.350 -0.004 0.000 0.194 43 E C 2.049 178.650 176.600 0.003 0.000 0.994 43 E CA 0.611 57.010 56.400 -0.003 0.000 0.801 43 E CB -0.153 29.532 29.700 -0.025 0.000 0.743 43 E HN 0.220 nan 8.360 nan 0.000 0.453 44 L N 1.311 122.554 121.223 0.033 0.000 1.955 44 L HA -0.257 4.081 4.340 -0.004 0.000 0.213 44 L C 2.518 179.455 176.870 0.113 0.000 1.072 44 L CA 2.196 57.077 54.840 0.069 0.000 0.755 44 L CB -0.873 41.258 42.059 0.120 0.000 0.888 44 L HN 0.295 nan 8.230 nan 0.000 0.432 45 H N 0.171 119.265 119.070 0.040 0.000 2.325 45 H HA -0.273 4.280 4.556 -0.004 0.000 0.293 45 H C 2.376 177.711 175.328 0.012 0.000 1.106 45 H CA 2.528 58.602 56.048 0.044 0.000 1.247 45 H CB -0.176 29.599 29.762 0.023 0.000 1.359 45 H HN 0.378 nan 8.280 nan 0.000 0.488 46 R N 0.758 121.440 120.500 0.304 0.000 2.073 46 R HA -0.121 4.217 4.340 -0.004 0.000 0.234 46 R C 2.745 179.011 176.300 -0.057 0.000 1.134 46 R CA 1.649 57.846 56.100 0.162 0.000 0.952 46 R CB -0.172 30.192 30.300 0.107 0.000 0.850 46 R HN 0.344 nan 8.270 nan 0.000 0.433 47 K N -0.485 119.819 120.400 -0.159 0.000 2.044 47 K HA -0.210 4.108 4.320 -0.004 0.000 0.210 47 K C 1.288 177.602 176.600 -0.478 0.000 1.049 47 K CA 1.857 57.915 56.287 -0.382 0.000 0.927 47 K CB -0.114 32.016 32.500 -0.616 0.000 0.713 47 K HN 0.248 nan 8.250 nan 0.000 0.443 48 Y N -0.419 119.840 120.300 -0.068 0.000 2.462 48 Y HA 0.269 4.817 4.550 -0.004 0.000 0.261 48 Y C 0.908 176.729 175.900 -0.131 0.000 1.146 48 Y CA 0.137 58.184 58.100 -0.087 0.000 1.283 48 Y CB 0.468 38.877 38.460 -0.085 0.000 1.090 48 Y HN 0.262 nan 8.280 nan 0.000 0.526 49 G N 1.800 110.532 108.800 -0.113 0.000 2.372 49 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.290 49 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.290 49 G C -0.006 174.757 174.900 -0.229 0.000 0.965 49 G CA 1.004 45.968 45.100 -0.228 0.000 1.263 49 G HN 0.391 nan 8.290 nan 0.000 0.498 50 T N 0.077 114.425 114.554 -0.343 0.000 3.109 50 T HA 0.398 4.745 4.350 -0.004 0.000 0.311 50 T C -0.390 174.221 174.700 -0.148 0.000 1.011 50 T CA -0.240 61.755 62.100 -0.176 0.000 1.026 50 T CB 1.303 70.137 68.868 -0.057 0.000 1.047 50 T HN 0.357 nan 8.240 nan 0.000 0.448 51 D N 4.383 124.756 120.400 -0.044 0.000 2.451 51 D HA -0.019 4.619 4.640 -0.004 0.000 0.254 51 D C 0.720 177.059 176.300 0.066 0.000 1.204 51 D CA -0.190 53.853 54.000 0.071 0.000 0.896 51 D CB 0.653 41.485 40.800 0.054 0.000 1.136 51 D HN 0.427 nan 8.370 nan 0.000 0.499 52 L N 3.663 124.955 121.223 0.116 0.000 2.855 52 L HA -0.005 4.333 4.340 -0.004 0.000 0.257 52 L C 1.514 178.411 176.870 0.044 0.000 1.206 52 L CA 0.625 55.509 54.840 0.074 0.000 1.042 52 L CB -0.898 41.217 42.059 0.093 0.000 1.321 52 L HN 0.553 nan 8.230 nan 0.000 0.417 53 S N -4.391 111.330 115.700 0.036 0.000 2.126 53 S HA 0.090 4.557 4.470 -0.004 0.000 0.242 53 S C 1.644 176.254 174.600 0.017 0.000 0.898 53 S CA -0.592 57.621 58.200 0.022 0.000 1.395 53 S CB -0.134 63.080 63.200 0.023 0.000 0.966 53 S HN 0.152 nan 8.310 nan 0.000 0.435 54 R N 2.363 122.875 120.500 0.021 0.000 2.240 54 R HA 0.445 4.783 4.340 -0.004 0.000 0.203 54 R C 1.573 177.878 176.300 0.008 0.000 1.011 54 R CA 1.255 57.364 56.100 0.015 0.000 1.007 54 R CB -0.351 29.961 30.300 0.019 0.000 0.911 54 R HN 0.775 nan 8.270 nan 0.000 0.468 55 G N 0.508 109.312 108.800 0.007 0.000 2.513 55 G HA2 -0.260 3.697 3.960 -0.004 0.000 0.227 55 G HA3 -0.260 3.697 3.960 -0.004 0.000 0.227 55 G C -1.109 173.786 174.900 -0.008 0.000 1.176 55 G CA -0.236 44.862 45.100 -0.003 0.000 0.967 55 G HN 0.206 nan 8.290 nan 0.000 0.587 56 L N 0.587 121.802 121.223 -0.013 0.000 2.333 56 L HA 0.770 5.108 4.340 -0.004 0.000 0.263 56 L C 0.738 177.602 176.870 -0.010 0.000 1.014 56 L CA 0.021 54.851 54.840 -0.016 0.000 0.820 56 L CB 2.014 44.059 42.059 -0.023 0.000 1.352 56 L HN 0.955 nan 8.230 nan 0.000 0.421 57 T N 2.640 117.189 114.554 -0.008 0.000 2.851 57 T HA 0.225 4.572 4.350 -0.004 0.000 0.298 57 T C -2.043 172.654 174.700 -0.005 0.000 0.977 57 T CA -0.947 61.150 62.100 -0.005 0.000 1.126 57 T CB 0.810 69.676 68.868 -0.003 0.000 0.916 57 T HN 0.468 nan 8.240 nan 0.000 0.529 58 P HA -0.130 nan 4.420 nan 0.000 0.216 58 P C 1.600 178.899 177.300 -0.002 0.000 1.150 58 P CA 1.019 64.117 63.100 -0.003 0.000 0.837 58 P CB -0.005 31.694 31.700 -0.002 0.000 0.786 59 A N 0.091 122.911 122.820 -0.001 0.000 1.865 59 A HA -0.257 4.061 4.320 -0.004 0.000 0.217 59 A C 2.421 180.004 177.584 -0.001 0.000 1.191 59 A CA 2.312 54.349 52.037 -0.001 0.000 0.623 59 A CB -1.272 17.728 19.000 0.000 0.000 0.826 59 A HN 0.018 nan 8.150 nan 0.000 0.444 60 R N 0.243 120.741 120.500 -0.002 0.000 2.120 60 R HA -0.034 4.304 4.340 -0.004 0.000 0.234 60 R C 2.033 178.332 176.300 -0.002 0.000 1.123 60 R CA 1.825 57.924 56.100 -0.002 0.000 0.975 60 R CB -0.928 29.370 30.300 -0.004 0.000 0.866 60 R HN 0.429 nan 8.270 nan 0.000 0.446 61 A N 0.558 123.375 122.820 -0.004 0.000 1.837 61 A HA -0.132 4.185 4.320 -0.004 0.000 0.216 61 A C 2.436 180.019 177.584 -0.002 0.000 1.210 61 A CA 2.313 54.348 52.037 -0.005 0.000 0.632 61 A CB -1.568 17.429 19.000 -0.005 0.000 0.843 61 A HN 0.500 nan 8.150 nan 0.000 0.448 62 A N -0.816 122.004 122.820 -0.001 0.000 1.940 62 A HA -0.237 4.081 4.320 -0.004 0.000 0.219 62 A C 1.997 179.582 177.584 0.002 0.000 1.176 62 A CA 2.038 54.076 52.037 0.001 0.000 0.631 62 A CB -0.723 18.278 19.000 0.001 0.000 0.814 62 A HN 0.729 nan 8.150 nan 0.000 0.446 63 E N -0.552 119.649 120.200 0.002 0.000 2.273 63 E HA -0.186 4.162 4.350 -0.004 0.000 0.198 63 E C 1.604 178.206 176.600 0.004 0.000 1.002 63 E CA 1.236 57.637 56.400 0.003 0.000 0.828 63 E CB -0.148 29.553 29.700 0.002 0.000 0.747 63 E HN 0.738 nan 8.360 nan 0.000 0.491 64 I N -0.099 120.474 120.570 0.005 0.000 2.927 64 I HA -0.102 4.065 4.170 -0.004 0.000 0.268 64 I C 2.315 178.436 176.117 0.007 0.000 1.153 64 I CA 0.040 61.345 61.300 0.008 0.000 1.459 64 I CB 0.005 38.010 38.000 0.008 0.000 1.149 64 I HN 0.186 nan 8.210 nan 0.000 0.443 65 L N 1.330 122.556 121.223 0.004 0.000 2.046 65 L HA -0.137 4.201 4.340 -0.004 0.000 0.208 65 L C 2.498 179.370 176.870 0.004 0.000 1.077 65 L CA 1.623 56.465 54.840 0.004 0.000 0.747 65 L CB -0.180 41.881 42.059 0.004 0.000 0.896 65 L HN 0.192 nan 8.230 nan 0.000 0.432 66 A N -0.657 122.164 122.820 0.003 0.000 2.239 66 A HA -0.131 4.187 4.320 -0.004 0.000 0.209 66 A C 2.309 179.895 177.584 0.002 0.000 1.171 66 A CA 1.052 53.090 52.037 0.002 0.000 0.768 66 A CB -0.504 18.497 19.000 0.002 0.000 0.790 66 A HN 0.563 nan 8.150 nan 0.000 0.478 67 R N -1.091 119.412 120.500 0.004 0.000 2.119 67 R HA 0.020 4.357 4.340 -0.004 0.000 0.202 67 R C 0.828 177.132 176.300 0.006 0.000 1.114 67 R CA 0.787 56.890 56.100 0.006 0.000 1.089 67 R CB -0.094 30.211 30.300 0.008 0.000 1.000 67 R HN 0.329 nan 8.270 nan 0.000 0.487 68 D N -0.005 120.400 120.400 0.009 0.000 2.183 68 D HA 0.081 4.719 4.640 -0.004 0.000 0.205 68 D C 0.139 176.440 176.300 0.003 0.000 0.962 68 D CA 1.575 55.581 54.000 0.010 0.000 0.849 68 D CB 0.416 41.226 40.800 0.017 0.000 0.978 68 D HN 0.523 nan 8.370 nan 0.000 0.488 69 G N 2.205 111.005 108.800 0.001 0.000 3.421 69 G HA2 -0.115 3.843 3.960 -0.004 0.000 0.686 69 G HA3 -0.115 3.843 3.960 -0.004 0.000 0.686 69 G C -2.540 172.358 174.900 -0.002 0.000 1.056 69 G CA -1.083 44.016 45.100 -0.003 0.000 0.891 69 G HN -0.087 nan 8.290 nan 0.000 0.514 70 P HA -0.174 nan 4.420 nan 0.000 0.271 70 P C 0.425 177.730 177.300 0.009 0.000 1.145 70 P CA 0.879 63.983 63.100 0.007 0.000 0.751 70 P CB 0.249 31.953 31.700 0.007 0.000 0.742 71 N N 1.489 120.205 118.700 0.025 0.000 2.508 71 N HA 0.390 5.128 4.740 -0.004 0.000 0.253 71 N C -0.863 174.686 175.510 0.065 0.000 1.145 71 N CA -0.190 52.886 53.050 0.043 0.000 0.973 71 N CB -0.132 38.402 38.487 0.078 0.000 1.305 71 N HN 0.446 nan 8.380 nan 0.000 0.506 72 A N 3.025 125.860 122.820 0.025 0.000 2.569 72 A HA 0.333 4.650 4.320 -0.004 0.000 0.292 72 A C -1.399 176.174 177.584 -0.018 0.000 1.032 72 A CA -0.731 51.333 52.037 0.044 0.000 0.669 72 A CB 0.666 19.697 19.000 0.051 0.000 1.290 72 A HN 0.438 nan 8.150 nan 0.000 0.422 73 L N 0.806 122.026 121.223 -0.005 0.000 2.399 73 L HA 0.719 5.057 4.340 -0.004 0.000 0.265 73 L C 0.278 177.138 176.870 -0.017 0.000 1.089 73 L CA -0.562 54.251 54.840 -0.045 0.000 0.802 73 L CB 1.797 43.831 42.059 -0.041 0.000 1.180 73 L HN 0.831 nan 8.230 nan 0.000 0.454 74 T N -0.760 113.775 114.554 -0.032 0.000 2.847 74 T HA 0.439 4.787 4.350 -0.004 0.000 0.291 74 T C -2.397 172.292 174.700 -0.017 0.000 0.998 74 T CA -1.735 60.354 62.100 -0.019 0.000 0.967 74 T CB 1.116 69.968 68.868 -0.026 0.000 0.954 74 T HN 0.342 nan 8.240 nan 0.000 0.441 75 P HA 0.150 nan 4.420 nan 0.000 0.267 75 P C -2.323 174.970 177.300 -0.012 0.000 1.201 75 P CA -0.880 62.220 63.100 0.000 0.000 0.775 75 P CB -0.348 31.355 31.700 0.005 0.000 0.854 76 P HA 0.124 nan 4.420 nan 0.000 0.269 76 P C -2.216 175.072 177.300 -0.019 0.000 1.209 76 P CA -1.420 61.669 63.100 -0.018 0.000 0.776 76 P CB -0.764 30.927 31.700 -0.015 0.000 0.876 77 P HA 0.058 nan 4.420 nan 0.000 0.263 77 P C -0.421 176.862 177.300 -0.027 0.000 1.345 77 P CA 0.675 63.760 63.100 -0.025 0.000 1.119 77 P CB -0.245 31.440 31.700 -0.024 0.000 1.363 78 T N 1.398 115.934 114.554 -0.030 0.000 3.291 78 T HA 0.437 4.785 4.350 -0.004 0.000 0.344 78 T C -0.537 174.136 174.700 -0.044 0.000 1.293 78 T CA -0.197 61.883 62.100 -0.034 0.000 1.108 78 T CB 0.822 69.676 68.868 -0.024 0.000 1.231 78 T HN 0.140 nan 8.240 nan 0.000 0.474 79 T N 4.501 119.017 114.554 -0.063 0.000 4.645 79 T HA 0.238 4.586 4.350 -0.004 0.000 0.311 79 T C -2.693 171.926 174.700 -0.135 0.000 0.904 79 T CA -0.466 61.582 62.100 -0.087 0.000 0.907 79 T CB 0.380 69.192 68.868 -0.093 0.000 0.959 79 T HN 0.620 nan 8.240 nan 0.000 0.417 80 P HA 0.577 nan 4.420 nan 0.000 0.292 80 P C -0.311 176.924 177.300 -0.108 0.000 1.326 80 P CA -0.157 62.856 63.100 -0.146 0.000 0.787 80 P CB 1.402 33.067 31.700 -0.058 0.000 0.903 81 E N 1.954 122.007 120.200 -0.245 0.000 2.496 81 E HA 0.105 4.452 4.350 -0.004 0.000 0.202 81 E C -0.217 176.479 176.600 0.161 0.000 1.021 81 E CA 0.056 56.415 56.400 -0.069 0.000 1.015 81 E CB 0.154 29.791 29.700 -0.106 0.000 1.102 81 E HN 0.573 nan 8.360 nan 0.000 0.452 82 W N -1.128 120.216 121.300 0.072 0.000 4.712 82 W HA 0.045 4.702 4.660 -0.004 0.000 0.191 82 W C 1.793 178.372 176.519 0.100 0.000 1.193 82 W CA -0.154 57.249 57.345 0.097 0.000 2.258 82 W CB -1.057 28.439 29.460 0.060 0.000 0.953 82 W HN -0.166 nan 8.180 nan 0.000 0.923 83 V N 2.133 122.245 119.914 0.330 0.000 2.481 83 V HA -0.359 3.758 4.120 -0.004 0.000 0.263 83 V C 2.122 178.306 176.094 0.150 0.000 1.108 83 V CA 2.700 65.108 62.300 0.181 0.000 1.113 83 V CB -1.021 30.873 31.823 0.118 0.000 0.684 83 V HN 0.039 nan 8.190 nan 0.000 0.467 84 K N -0.650 119.872 120.400 0.203 0.000 2.128 84 K HA 0.047 4.365 4.320 -0.004 0.000 0.202 84 K C 1.764 178.520 176.600 0.260 0.000 1.050 84 K CA 0.860 57.282 56.287 0.225 0.000 0.966 84 K CB -0.382 32.284 32.500 0.277 0.000 0.759 84 K HN 0.349 nan 8.250 nan 0.000 0.454 85 F N 1.069 121.051 119.950 0.053 0.000 2.075 85 F HA -0.074 4.450 4.527 -0.004 0.000 0.297 85 F C 0.577 176.318 175.800 -0.098 0.000 1.113 85 F CA 0.888 58.747 58.000 -0.235 0.000 1.218 85 F CB -0.396 38.416 39.000 -0.314 0.000 0.984 85 F HN -0.137 nan 8.300 nan 0.000 0.472 86 C N 3.469 122.711 119.300 -0.096 0.000 3.031 86 C HA 0.172 4.629 4.460 -0.004 0.000 0.489 86 C C 2.026 176.930 174.990 -0.144 0.000 1.020 86 C CA 0.169 59.058 59.018 -0.216 0.000 1.104 86 C CB -2.545 25.152 27.740 -0.072 0.000 1.470 86 C HN 0.545 nan 8.230 nan 0.000 0.583 87 R N 1.651 122.038 120.500 -0.188 0.000 2.257 87 R HA -0.021 4.316 4.340 -0.004 0.000 0.195 87 R C 2.349 178.567 176.300 -0.136 0.000 0.921 87 R CA 0.219 56.261 56.100 -0.096 0.000 1.069 87 R CB -0.260 30.012 30.300 -0.046 0.000 1.115 87 R HN 0.603 nan 8.270 nan 0.000 0.571 88 Q N 1.319 120.987 119.800 -0.221 0.000 2.308 88 Q HA -0.189 4.149 4.340 -0.004 0.000 0.209 88 Q C 1.249 177.135 176.000 -0.189 0.000 0.985 88 Q CA 1.255 56.937 55.803 -0.200 0.000 0.881 88 Q CB -0.572 28.027 28.738 -0.231 0.000 0.917 88 Q HN 0.400 nan 8.270 nan 0.000 0.443 89 L N 0.234 121.310 121.223 -0.244 0.000 2.821 89 L HA 0.097 4.434 4.340 -0.004 0.000 0.254 89 L C 1.004 177.816 176.870 -0.096 0.000 1.151 89 L CA 1.032 55.680 54.840 -0.321 0.000 0.937 89 L CB -0.591 41.248 42.059 -0.366 0.000 1.141 89 L HN 0.424 nan 8.230 nan 0.000 0.425 90 F N -2.671 117.147 119.950 -0.219 0.000 2.796 90 F HA 0.171 4.696 4.527 -0.004 0.000 0.427 90 F C 1.295 176.996 175.800 -0.166 0.000 0.906 90 F CA -0.155 57.746 58.000 -0.164 0.000 0.870 90 F CB -0.270 38.646 39.000 -0.140 0.000 1.345 90 F HN -0.100 nan 8.300 nan 0.000 0.553 91 G N 2.432 111.148 108.800 -0.139 0.000 2.097 91 G HA2 0.286 4.243 3.960 -0.004 0.000 0.256 91 G HA3 0.286 4.243 3.960 -0.004 0.000 0.256 91 G C 0.984 175.709 174.900 -0.291 0.000 1.082 91 G CA 0.921 45.869 45.100 -0.254 0.000 0.956 91 G HN 1.120 nan 8.290 nan 0.000 0.420 92 G N 2.783 111.298 108.800 -0.475 0.000 2.634 92 G HA2 -0.326 3.632 3.960 -0.004 0.000 0.318 92 G HA3 -0.326 3.632 3.960 -0.004 0.000 0.318 92 G C 0.638 175.083 174.900 -0.759 0.000 1.207 92 G CA 0.947 45.643 45.100 -0.673 0.000 0.987 92 G HN 1.055 nan 8.290 nan 0.000 0.547 93 F N 1.607 121.507 119.950 -0.083 0.000 2.698 93 F HA 0.429 4.954 4.527 -0.004 0.000 0.304 93 F C 2.146 177.948 175.800 0.004 0.000 1.108 93 F CA 0.595 58.573 58.000 -0.036 0.000 1.263 93 F CB 1.011 39.989 39.000 -0.037 0.000 1.013 93 F HN 0.197 nan 8.300 nan 0.000 0.532 94 S N 1.401 117.171 115.700 0.116 0.000 2.528 94 S HA -0.164 4.303 4.470 -0.004 0.000 0.244 94 S C 2.304 177.023 174.600 0.198 0.000 0.982 94 S CA 1.082 59.376 58.200 0.156 0.000 0.953 94 S CB -0.252 62.999 63.200 0.085 0.000 0.754 94 S HN 0.437 nan 8.310 nan 0.000 0.529 95 M N 0.869 120.561 119.600 0.153 0.000 2.062 95 M HA 0.031 4.509 4.480 -0.004 0.000 0.259 95 M C 1.802 178.181 176.300 0.133 0.000 1.076 95 M CA 1.688 57.066 55.300 0.130 0.000 1.122 95 M CB -1.743 30.926 32.600 0.115 0.000 1.312 95 M HN 0.191 nan 8.290 nan 0.000 0.412 96 L N 1.077 122.360 121.223 0.100 0.000 2.079 96 L HA -0.142 4.196 4.340 -0.004 0.000 0.210 96 L C 2.784 179.665 176.870 0.018 0.000 1.081 96 L CA 1.166 56.026 54.840 0.034 0.000 0.752 96 L CB -1.334 40.729 42.059 0.007 0.000 0.896 96 L HN 0.304 nan 8.230 nan 0.000 0.433 97 L N -2.079 119.180 121.223 0.060 0.000 2.012 97 L HA -0.246 4.092 4.340 -0.004 0.000 0.210 97 L C 2.465 179.319 176.870 -0.027 0.000 1.073 97 L CA 2.042 56.888 54.840 0.009 0.000 0.748 97 L CB -1.100 40.992 42.059 0.056 0.000 0.891 97 L HN 0.427 nan 8.230 nan 0.000 0.431 98 W N 0.023 121.272 121.300 -0.084 0.000 2.378 98 W HA -0.147 4.510 4.660 -0.004 0.000 0.313 98 W C 2.528 178.984 176.519 -0.106 0.000 1.197 98 W CA 0.953 58.234 57.345 -0.107 0.000 1.304 98 W CB -0.444 28.957 29.460 -0.098 0.000 1.148 98 W HN -0.030 nan 8.180 nan 0.000 0.494 99 I N 0.064 120.700 120.570 0.110 0.000 2.700 99 I HA -0.162 4.006 4.170 -0.004 0.000 0.261 99 I C 2.086 178.162 176.117 -0.068 0.000 1.219 99 I CA 1.594 62.899 61.300 0.009 0.000 1.463 99 I CB -0.554 37.438 38.000 -0.014 0.000 1.092 99 I HN 0.049 nan 8.210 nan 0.000 0.452 100 G N -0.209 108.540 108.800 -0.085 0.000 2.557 100 G HA2 -0.098 3.860 3.960 -0.004 0.000 0.213 100 G HA3 -0.098 3.860 3.960 -0.004 0.000 0.213 100 G C 1.607 176.433 174.900 -0.123 0.000 1.221 100 G CA 0.457 45.485 45.100 -0.121 0.000 0.832 100 G HN 0.435 nan 8.290 nan 0.000 0.556 101 A N 0.003 122.718 122.820 -0.176 0.000 2.272 101 A HA 0.145 4.463 4.320 -0.004 0.000 0.213 101 A C 2.110 179.573 177.584 -0.201 0.000 1.183 101 A CA 1.072 52.992 52.037 -0.195 0.000 0.719 101 A CB -0.312 18.481 19.000 -0.345 0.000 0.771 101 A HN 0.453 nan 8.150 nan 0.000 0.484 102 I N -1.898 118.559 120.570 -0.189 0.000 2.810 102 I HA 0.039 4.206 4.170 -0.004 0.000 0.262 102 I C 2.101 178.230 176.117 0.021 0.000 1.131 102 I CA 0.496 61.725 61.300 -0.118 0.000 1.453 102 I CB 0.042 37.972 38.000 -0.116 0.000 1.161 102 I HN 0.375 nan 8.210 nan 0.000 0.444 103 L N 1.111 122.316 121.223 -0.031 0.000 2.093 103 L HA -0.212 4.126 4.340 -0.004 0.000 0.208 103 L C 2.502 179.376 176.870 0.006 0.000 1.085 103 L CA 1.799 56.618 54.840 -0.035 0.000 0.755 103 L CB -0.231 41.768 42.059 -0.101 0.000 0.904 103 L HN 0.613 nan 8.230 nan 0.000 0.435 104 C N -2.172 117.138 119.300 0.017 0.000 2.578 104 C HA 0.137 4.595 4.460 -0.004 0.000 0.285 104 C C 1.753 176.815 174.990 0.119 0.000 1.297 104 C CA -0.728 58.314 59.018 0.040 0.000 1.690 104 C CB -1.638 26.103 27.740 0.002 0.000 1.773 104 C HN 0.547 nan 8.230 nan 0.000 0.594 105 F N -0.220 119.696 119.950 -0.056 0.000 2.704 105 F HA 0.375 4.900 4.527 -0.004 0.000 0.304 105 F C 1.652 177.462 175.800 0.016 0.000 1.094 105 F CA 0.051 58.028 58.000 -0.039 0.000 1.275 105 F CB 0.205 39.147 39.000 -0.098 0.000 1.073 105 F HN 0.245 nan 8.300 nan 0.000 0.586 106 L N -0.329 120.966 121.223 0.120 0.000 2.298 106 L HA 0.336 4.674 4.340 -0.004 0.000 0.209 106 L C 2.309 179.205 176.870 0.043 0.000 1.084 106 L CA 1.507 56.390 54.840 0.071 0.000 0.816 106 L CB -0.908 41.178 42.059 0.045 0.000 0.967 106 L HN -0.013 nan 8.230 nan 0.000 0.460 107 A N -0.165 122.682 122.820 0.045 0.000 1.859 107 A HA -0.380 3.938 4.320 -0.004 0.000 0.218 107 A C 2.282 179.880 177.584 0.024 0.000 1.209 107 A CA 2.295 54.356 52.037 0.040 0.000 0.639 107 A CB -1.640 17.387 19.000 0.046 0.000 0.835 107 A HN 0.627 nan 8.150 nan 0.000 0.450 108 Y N 1.118 121.357 120.300 -0.101 0.000 2.538 108 Y HA -0.111 4.436 4.550 -0.004 0.000 0.287 108 Y C 2.112 177.950 175.900 -0.102 0.000 1.157 108 Y CA 1.074 59.097 58.100 -0.129 0.000 1.338 108 Y CB -0.464 37.864 38.460 -0.221 0.000 0.970 108 Y HN 0.232 nan 8.280 nan 0.000 0.564 109 G N 0.113 108.861 108.800 -0.088 0.000 2.471 109 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.211 109 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.211 109 G C 0.754 175.580 174.900 -0.123 0.000 1.194 109 G CA 0.164 45.196 45.100 -0.114 0.000 0.816 109 G HN 0.205 nan 8.290 nan 0.000 0.545 110 I N 2.510 123.048 120.570 -0.054 0.000 2.928 110 I HA 0.112 4.279 4.170 -0.004 0.000 0.301 110 I C -0.223 175.859 176.117 -0.058 0.000 1.049 110 I CA 0.562 61.847 61.300 -0.025 0.000 2.558 110 I CB -1.597 36.425 38.000 0.037 0.000 1.646 110 I HN 0.213 nan 8.210 nan 0.000 1.158 111 Q N 1.446 121.173 119.800 -0.121 0.000 2.397 111 Q HA 0.721 5.059 4.340 -0.004 0.000 0.275 111 Q C 0.152 176.074 176.000 -0.130 0.000 1.090 111 Q CA -0.506 55.211 55.803 -0.142 0.000 0.809 111 Q CB 2.819 31.413 28.738 -0.240 0.000 1.362 111 Q HN 0.352 nan 8.270 nan 0.000 0.431 112 A N 1.244 123.993 122.820 -0.117 0.000 2.940 112 A HA 0.612 4.929 4.320 -0.004 0.000 0.210 112 A C 0.226 177.737 177.584 -0.122 0.000 2.267 112 A CA 0.450 52.420 52.037 -0.112 0.000 1.544 112 A CB -0.870 18.065 19.000 -0.108 0.000 1.180 112 A HN 0.729 nan 8.150 nan 0.000 0.403 113 A N 1.127 123.865 122.820 -0.136 0.000 2.888 113 A HA 0.398 4.716 4.320 -0.004 0.000 0.290 113 A C 0.538 178.055 177.584 -0.112 0.000 1.736 113 A CA 1.100 53.056 52.037 -0.135 0.000 1.244 113 A CB -2.213 16.675 19.000 -0.187 0.000 0.973 113 A HN 1.349 nan 8.150 nan 0.000 0.595 114 T N 1.710 116.204 114.554 -0.099 0.000 1.972 114 T HA -0.136 4.212 4.350 -0.004 0.000 0.577 114 T C 0.088 174.728 174.700 -0.100 0.000 0.896 114 T CA 1.315 63.363 62.100 -0.088 0.000 3.068 114 T CB -1.066 67.766 68.868 -0.059 0.000 1.801 114 T HN 0.880 nan 8.240 nan 0.000 0.401 115 E N 2.891 123.002 120.200 -0.148 0.000 3.359 115 E HA -0.124 4.223 4.350 -0.004 0.000 0.219 115 E C 1.322 177.869 176.600 -0.087 0.000 1.052 115 E CA 0.618 56.912 56.400 -0.177 0.000 0.906 115 E CB 0.147 29.638 29.700 -0.348 0.000 0.939 115 E HN 0.482 nan 8.360 nan 0.000 0.543 116 E N 1.898 122.054 120.200 -0.072 0.000 4.456 116 E HA -0.173 4.175 4.350 -0.004 0.000 0.581 116 E C 1.273 177.849 176.600 -0.040 0.000 0.549 116 E CA 0.194 56.566 56.400 -0.047 0.000 3.939 116 E CB -0.092 29.585 29.700 -0.037 0.000 2.250 116 E HN 0.514 nan 8.360 nan 0.000 0.300 117 E N 0.283 120.460 120.200 -0.039 0.000 2.160 117 E HA -0.144 4.203 4.350 -0.004 0.000 0.195 117 E C -0.877 175.698 176.600 -0.042 0.000 0.991 117 E CA 0.719 57.090 56.400 -0.048 0.000 0.810 117 E CB -0.849 28.825 29.700 -0.042 0.000 0.742 117 E HN 0.161 nan 8.360 nan 0.000 0.466 118 P HA -0.175 nan 4.420 nan 0.000 0.234 118 P C 0.943 178.282 177.300 0.065 0.000 1.162 118 P CA 0.913 64.013 63.100 0.001 0.000 0.759 118 P CB 0.007 31.698 31.700 -0.015 0.000 0.813 119 Q N -0.226 119.607 119.800 0.055 0.000 2.096 119 Q HA -0.110 4.228 4.340 -0.004 0.000 0.197 119 Q C 1.608 177.538 176.000 -0.116 0.000 0.964 119 Q CA 1.427 57.345 55.803 0.193 0.000 0.838 119 Q CB -0.453 28.351 28.738 0.110 0.000 0.906 119 Q HN 0.284 nan 8.270 nan 0.000 0.444 120 N N 1.044 119.603 118.700 -0.235 0.000 2.051 120 N HA -0.095 4.642 4.740 -0.004 0.000 0.192 120 N C 0.382 175.656 175.510 -0.394 0.000 1.049 120 N CA 0.927 53.676 53.050 -0.502 0.000 0.845 120 N CB -0.478 37.818 38.487 -0.317 0.000 1.031 120 N HN 0.265 nan 8.380 nan 0.000 0.425 121 D N 0.751 121.057 120.400 -0.157 0.000 2.312 121 D HA 0.060 4.698 4.640 -0.004 0.000 0.244 121 D C 1.302 177.587 176.300 -0.024 0.000 1.328 121 D CA -0.036 53.931 54.000 -0.055 0.000 0.965 121 D CB 0.127 40.915 40.800 -0.020 0.000 1.140 121 D HN 0.122 nan 8.370 nan 0.000 0.523 122 N N -0.900 117.806 118.700 0.009 0.000 3.721 122 N HA -0.276 4.461 4.740 -0.004 0.000 0.208 122 N C 1.384 176.872 175.510 -0.036 0.000 0.203 122 N CA 1.464 54.522 53.050 0.013 0.000 2.712 122 N CB -1.207 37.309 38.487 0.049 0.000 1.282 122 N HN 0.372 nan 8.380 nan 0.000 0.366 123 L N 1.121 122.268 121.223 -0.126 0.000 2.021 123 L HA -0.189 4.149 4.340 -0.004 0.000 0.215 123 L C 2.209 179.031 176.870 -0.080 0.000 1.074 123 L CA 2.170 56.776 54.840 -0.390 0.000 0.760 123 L CB -1.189 40.393 42.059 -0.796 0.000 0.889 123 L HN 0.497 nan 8.230 nan 0.000 0.433 124 Y N -0.568 119.620 120.300 -0.188 0.000 2.163 124 Y HA -0.264 4.283 4.550 -0.004 0.000 0.288 124 Y C 2.730 178.594 175.900 -0.059 0.000 1.136 124 Y CA 0.783 58.818 58.100 -0.108 0.000 1.147 124 Y CB 0.048 38.457 38.460 -0.086 0.000 0.987 124 Y HN 0.202 nan 8.280 nan 0.000 0.509 125 L N -0.206 121.086 121.223 0.115 0.000 2.353 125 L HA -0.108 4.229 4.340 -0.004 0.000 0.220 125 L C 2.146 179.042 176.870 0.044 0.000 1.133 125 L CA 1.338 56.202 54.840 0.039 0.000 0.798 125 L CB -0.453 41.611 42.059 0.009 0.000 0.922 125 L HN 0.199 nan 8.230 nan 0.000 0.445 126 G N -1.223 107.653 108.800 0.127 0.000 2.395 126 G HA2 -0.142 3.815 3.960 -0.004 0.000 0.214 126 G HA3 -0.142 3.815 3.960 -0.004 0.000 0.214 126 G C 1.397 176.444 174.900 0.245 0.000 1.177 126 G CA 0.669 45.966 45.100 0.328 0.000 0.794 126 G HN 0.218 nan 8.290 nan 0.000 0.532 127 V N 0.517 120.612 119.914 0.303 0.000 2.626 127 V HA -0.103 4.015 4.120 -0.004 0.000 0.252 127 V C 2.907 178.969 176.094 -0.052 0.000 1.067 127 V CA 1.021 63.384 62.300 0.105 0.000 1.081 127 V CB 0.205 32.063 31.823 0.059 0.000 0.686 127 V HN 0.220 nan 8.190 nan 0.000 0.468 128 V N -0.275 119.607 119.914 -0.054 0.000 2.255 128 V HA -0.192 3.925 4.120 -0.004 0.000 0.243 128 V C 2.233 178.267 176.094 -0.100 0.000 1.038 128 V CA 1.829 64.076 62.300 -0.088 0.000 1.008 128 V CB -0.442 31.336 31.823 -0.076 0.000 0.645 128 V HN 0.415 nan 8.190 nan 0.000 0.449 129 L N 0.111 121.273 121.223 -0.102 0.000 2.261 129 L HA -0.178 4.160 4.340 -0.004 0.000 0.216 129 L C 2.645 179.406 176.870 -0.181 0.000 1.114 129 L CA 1.493 56.255 54.840 -0.131 0.000 0.777 129 L CB -0.589 41.389 42.059 -0.136 0.000 0.910 129 L HN 0.394 nan 8.230 nan 0.000 0.440 130 S N -0.095 115.474 115.700 -0.219 0.000 2.338 130 S HA -0.170 4.298 4.470 -0.004 0.000 0.218 130 S C 2.206 176.695 174.600 -0.184 0.000 1.032 130 S CA 1.269 59.278 58.200 -0.318 0.000 0.999 130 S CB -0.086 62.898 63.200 -0.360 0.000 0.905 130 S HN 0.445 nan 8.310 nan 0.000 0.439 131 A N 1.177 123.920 122.820 -0.128 0.000 1.883 131 A HA -0.057 4.260 4.320 -0.004 0.000 0.217 131 A C 2.321 179.866 177.584 -0.065 0.000 1.186 131 A CA 1.983 53.973 52.037 -0.078 0.000 0.624 131 A CB -1.346 17.610 19.000 -0.074 0.000 0.822 131 A HN 0.457 nan 8.150 nan 0.000 0.444 132 V N -0.259 119.605 119.914 -0.084 0.000 2.222 132 V HA -0.357 3.760 4.120 -0.004 0.000 0.252 132 V C 2.553 178.615 176.094 -0.053 0.000 1.060 132 V CA 2.424 64.676 62.300 -0.080 0.000 1.027 132 V CB -1.207 30.564 31.823 -0.086 0.000 0.644 132 V HN 0.399 nan 8.190 nan 0.000 0.448 133 V N -0.487 119.413 119.914 -0.023 0.000 2.250 133 V HA -0.360 3.758 4.120 -0.004 0.000 0.250 133 V C 2.197 178.307 176.094 0.028 0.000 1.060 133 V CA 2.627 64.959 62.300 0.053 0.000 1.030 133 V CB -0.582 31.364 31.823 0.204 0.000 0.643 133 V HN 0.464 nan 8.190 nan 0.000 0.445 134 I N -0.545 120.046 120.570 0.036 0.000 2.145 134 I HA -0.285 3.883 4.170 -0.004 0.000 0.244 134 I C 2.248 178.377 176.117 0.020 0.000 1.075 134 I CA 1.729 63.046 61.300 0.027 0.000 1.332 134 I CB -0.206 37.828 38.000 0.057 0.000 1.033 134 I HN 0.281 nan 8.210 nan 0.000 0.410 135 I N 0.117 120.683 120.570 -0.006 0.000 2.500 135 I HA -0.163 4.005 4.170 -0.004 0.000 0.252 135 I C 2.359 178.404 176.117 -0.119 0.000 1.142 135 I CA 1.411 62.690 61.300 -0.034 0.000 1.451 135 I CB -1.744 36.196 38.000 -0.100 0.000 1.093 135 I HN 0.201 nan 8.210 nan 0.000 0.430 136 T N 0.768 115.251 114.554 -0.119 0.000 3.098 136 T HA 0.005 4.352 4.350 -0.004 0.000 0.266 136 T C 1.819 176.506 174.700 -0.021 0.000 1.145 136 T CA 1.007 63.035 62.100 -0.121 0.000 1.092 136 T CB -0.344 68.488 68.868 -0.060 0.000 0.908 136 T HN 0.528 nan 8.240 nan 0.000 0.526 137 G N 0.336 109.133 108.800 -0.006 0.000 2.490 137 G HA2 -0.102 3.855 3.960 -0.004 0.000 0.211 137 G HA3 -0.102 3.855 3.960 -0.004 0.000 0.211 137 G C 1.721 176.726 174.900 0.175 0.000 1.159 137 G CA 0.367 45.457 45.100 -0.017 0.000 0.819 137 G HN 0.567 nan 8.290 nan 0.000 0.539 138 C N 0.432 119.914 119.300 0.303 0.000 2.401 138 C HA 0.024 4.481 4.460 -0.004 0.000 0.286 138 C C 2.356 177.732 174.990 0.643 0.000 1.332 138 C CA 0.349 59.689 59.018 0.537 0.000 1.795 138 C CB -1.482 26.566 27.740 0.514 0.000 1.922 138 C HN 0.434 nan 8.230 nan 0.000 0.520 139 F N -0.491 119.570 119.950 0.185 0.000 2.530 139 F HA 0.022 4.547 4.527 -0.004 0.000 0.292 139 F C 2.397 178.286 175.800 0.148 0.000 1.109 139 F CA 0.450 58.550 58.000 0.168 0.000 1.450 139 F CB -0.126 38.935 39.000 0.102 0.000 1.114 139 F HN 0.010 nan 8.300 nan 0.000 0.560 140 S N -0.891 114.995 115.700 0.311 0.000 2.685 140 S HA 0.022 4.489 4.470 -0.004 0.000 0.240 140 S C 0.423 175.144 174.600 0.202 0.000 0.967 140 S CA -0.063 58.228 58.200 0.153 0.000 1.009 140 S CB -0.434 62.788 63.200 0.036 0.000 0.776 140 S HN 0.476 nan 8.310 nan 0.000 0.467 141 Y N -0.155 120.224 120.300 0.132 0.000 3.116 141 Y HA 0.242 4.789 4.550 -0.004 0.000 0.220 141 Y C 1.087 177.067 175.900 0.133 0.000 0.965 141 Y CA 0.007 58.191 58.100 0.140 0.000 1.476 141 Y CB -0.603 38.003 38.460 0.243 0.000 1.493 141 Y HN 0.252 nan 8.280 nan 0.000 0.423 142 Y N 2.317 122.594 120.300 -0.038 0.000 2.736 142 Y HA -0.164 4.384 4.550 -0.004 0.000 0.298 142 Y C 2.087 177.880 175.900 -0.177 0.000 1.156 142 Y CA 1.944 59.927 58.100 -0.196 0.000 1.384 142 Y CB -0.249 38.133 38.460 -0.130 0.000 0.976 142 Y HN 0.486 nan 8.280 nan 0.000 0.556 143 Q N 0.192 119.901 119.800 -0.151 0.000 2.398 143 Q HA -0.045 4.292 4.340 -0.004 0.000 0.204 143 Q C 0.108 175.972 176.000 -0.226 0.000 0.932 143 Q CA 0.734 56.432 55.803 -0.176 0.000 0.916 143 Q CB 0.401 29.113 28.738 -0.043 0.000 1.024 143 Q HN 0.287 nan 8.270 nan 0.000 0.504 144 E N 0.205 120.252 120.200 -0.256 0.000 3.666 144 E HA 0.345 4.693 4.350 -0.004 0.000 0.230 144 E C -1.390 175.026 176.600 -0.307 0.000 1.235 144 E CA -0.315 55.950 56.400 -0.225 0.000 1.096 144 E CB 0.310 29.937 29.700 -0.121 0.000 1.287 144 E HN 0.354 nan 8.360 nan 0.000 0.406 145 A N 2.887 125.484 122.820 -0.372 0.000 2.555 145 A HA 0.162 4.480 4.320 -0.004 0.000 0.233 145 A C 0.132 177.592 177.584 -0.207 0.000 1.060 145 A CA -0.190 51.636 52.037 -0.352 0.000 0.759 145 A CB 0.227 19.043 19.000 -0.308 0.000 0.995 145 A HN 0.300 nan 8.150 nan 0.000 0.506 146 K N 2.231 122.545 120.400 -0.143 0.000 2.321 146 K HA 0.021 4.338 4.320 -0.004 0.000 0.266 146 K C -0.329 176.232 176.600 -0.066 0.000 1.215 146 K CA 0.788 57.038 56.287 -0.061 0.000 1.225 146 K CB -0.769 31.722 32.500 -0.015 0.000 0.827 146 K HN 0.486 nan 8.250 nan 0.000 0.478 147 S N 1.861 117.523 115.700 -0.063 0.000 2.474 147 S HA 0.497 4.964 4.470 -0.004 0.000 0.320 147 S C -0.162 174.415 174.600 -0.038 0.000 1.067 147 S CA -0.618 57.547 58.200 -0.059 0.000 1.127 147 S CB 0.851 64.009 63.200 -0.071 0.000 0.971 147 S HN 0.534 nan 8.310 nan 0.000 0.472 148 S N 1.697 117.378 115.700 -0.032 0.000 2.761 148 S HA 0.565 5.032 4.470 -0.004 0.000 0.290 148 S C -1.452 173.138 174.600 -0.016 0.000 1.222 148 S CA -1.349 56.839 58.200 -0.020 0.000 0.954 148 S CB 0.589 63.779 63.200 -0.016 0.000 1.281 148 S HN 0.614 nan 8.310 nan 0.000 0.527 149 K N 0.499 120.895 120.400 -0.006 0.000 3.729 149 K HA -0.091 4.227 4.320 -0.004 0.000 0.292 149 K C -0.316 176.289 176.600 0.008 0.000 1.118 149 K CA 0.116 56.404 56.287 0.002 0.000 0.885 149 K CB -1.316 31.180 32.500 -0.007 0.000 1.391 149 K HN 0.375 nan 8.250 nan 0.000 0.448 150 I N 0.397 120.986 120.570 0.032 0.000 3.098 150 I HA -0.032 4.135 4.170 -0.004 0.000 0.241 150 I C 2.319 178.508 176.117 0.120 0.000 1.081 150 I CA 0.723 62.055 61.300 0.053 0.000 1.487 150 I CB -0.721 37.331 38.000 0.086 0.000 1.366 150 I HN 0.522 nan 8.210 nan 0.000 0.463 151 M N 1.737 121.438 119.600 0.169 0.000 2.252 151 M HA -0.283 4.195 4.480 -0.004 0.000 0.255 151 M C 1.844 178.243 176.300 0.165 0.000 1.085 151 M CA 1.824 57.249 55.300 0.207 0.000 1.059 151 M CB -0.490 32.166 32.600 0.093 0.000 1.375 151 M HN 0.282 nan 8.290 nan 0.000 0.409 152 E N 0.129 120.384 120.200 0.091 0.000 2.019 152 E HA -0.226 4.122 4.350 -0.004 0.000 0.208 152 E C 1.834 178.473 176.600 0.065 0.000 1.030 152 E CA 3.062 59.496 56.400 0.058 0.000 0.856 152 E CB -1.025 28.690 29.700 0.025 0.000 0.781 152 E HN 0.699 nan 8.360 nan 0.000 0.471 153 S N -0.454 115.264 115.700 0.029 0.000 2.359 153 S HA -0.177 4.290 4.470 -0.004 0.000 0.224 153 S C 2.130 176.759 174.600 0.048 0.000 1.035 153 S CA 1.239 59.435 58.200 -0.007 0.000 1.018 153 S CB -1.046 62.100 63.200 -0.091 0.000 0.876 153 S HN 0.276 nan 8.310 nan 0.000 0.448 154 F N 2.730 122.702 119.950 0.036 0.000 2.032 154 F HA -0.142 4.382 4.527 -0.004 0.000 0.297 154 F C 2.600 178.467 175.800 0.111 0.000 1.125 154 F CA 1.865 59.909 58.000 0.073 0.000 1.202 154 F CB -0.596 38.441 39.000 0.061 0.000 0.958 154 F HN 0.228 nan 8.300 nan 0.000 0.491 155 K N -0.026 120.567 120.400 0.322 0.000 2.442 155 K HA -0.188 4.130 4.320 -0.004 0.000 0.198 155 K C 1.161 177.857 176.600 0.160 0.000 1.044 155 K CA 1.100 57.517 56.287 0.216 0.000 0.948 155 K CB -0.325 32.255 32.500 0.133 0.000 0.762 155 K HN 0.152 nan 8.250 nan 0.000 0.472 156 N N 0.524 119.303 118.700 0.132 0.000 2.321 156 N HA 0.043 4.781 4.740 -0.004 0.000 0.242 156 N C 0.423 175.965 175.510 0.053 0.000 1.141 156 N CA -0.025 53.068 53.050 0.071 0.000 0.864 156 N CB 0.389 38.900 38.487 0.041 0.000 1.100 156 N HN 0.322 nan 8.380 nan 0.000 0.510 157 M N -0.496 119.157 119.600 0.088 0.000 2.279 157 M HA 0.212 4.689 4.480 -0.004 0.000 0.299 157 M C -0.091 176.186 176.300 -0.039 0.000 0.970 157 M CA -0.010 55.313 55.300 0.039 0.000 1.065 157 M CB 0.928 33.582 32.600 0.091 0.000 1.669 157 M HN -0.160 nan 8.290 nan 0.000 0.582 158 V N 3.348 123.253 119.914 -0.014 0.000 2.881 158 V HA 0.406 4.524 4.120 -0.004 0.000 0.303 158 V C -2.108 173.936 176.094 -0.082 0.000 1.070 158 V CA -1.572 60.637 62.300 -0.151 0.000 1.074 158 V CB 0.974 32.856 31.823 0.097 0.000 1.012 158 V HN 0.214 nan 8.190 nan 0.000 0.482 159 P HA 0.217 nan 4.420 nan 0.000 0.278 159 P C -0.139 177.149 177.300 -0.021 0.000 1.266 159 P CA -0.231 62.834 63.100 -0.058 0.000 0.807 159 P CB 1.347 33.004 31.700 -0.070 0.000 1.094 160 Q N -0.303 119.489 119.800 -0.012 0.000 2.036 160 Q HA -0.044 4.294 4.340 -0.004 0.000 0.195 160 Q C 0.779 176.779 176.000 -0.000 0.000 0.971 160 Q CA 0.849 56.652 55.803 0.001 0.000 0.826 160 Q CB 0.163 28.901 28.738 0.000 0.000 0.896 160 Q HN 0.434 nan 8.270 nan 0.000 0.449 161 Q N -0.584 119.212 119.800 -0.007 0.000 2.171 161 Q HA 0.635 4.973 4.340 -0.004 0.000 0.217 161 Q C -1.157 174.837 176.000 -0.011 0.000 0.995 161 Q CA -0.047 55.752 55.803 -0.006 0.000 0.979 161 Q CB 1.774 30.508 28.738 -0.007 0.000 1.152 161 Q HN 0.354 nan 8.270 nan 0.000 0.525 162 A N 0.681 123.495 122.820 -0.009 0.000 2.577 162 A HA 0.455 4.772 4.320 -0.004 0.000 0.297 162 A C -1.752 175.825 177.584 -0.011 0.000 1.060 162 A CA -0.618 51.412 52.037 -0.012 0.000 0.697 162 A CB 1.058 20.053 19.000 -0.008 0.000 1.281 162 A HN 0.554 nan 8.150 nan 0.000 0.402 163 L N 3.747 124.962 121.223 -0.013 0.000 2.264 163 L HA 0.709 5.046 4.340 -0.004 0.000 0.287 163 L C -0.591 176.271 176.870 -0.014 0.000 1.039 163 L CA -0.667 54.166 54.840 -0.012 0.000 0.829 163 L CB 0.933 42.985 42.059 -0.012 0.000 1.211 163 L HN 0.889 nan 8.230 nan 0.000 0.427 164 V N 3.427 123.334 119.914 -0.012 0.000 3.040 164 V HA 0.606 4.724 4.120 -0.004 0.000 0.312 164 V C -0.534 175.552 176.094 -0.012 0.000 1.115 164 V CA -0.897 61.394 62.300 -0.015 0.000 0.998 164 V CB 2.409 34.222 31.823 -0.017 0.000 1.042 164 V HN 0.439 nan 8.190 nan 0.000 0.433 165 I N 2.760 123.322 120.570 -0.013 0.000 2.392 165 I HA 0.691 4.859 4.170 -0.004 0.000 0.295 165 I C 0.274 176.385 176.117 -0.010 0.000 0.985 165 I CA -0.281 61.013 61.300 -0.009 0.000 1.221 165 I CB 1.305 39.301 38.000 -0.007 0.000 1.366 165 I HN 0.826 nan 8.210 nan 0.000 0.467 166 R N 2.867 123.363 120.500 -0.007 0.000 2.739 166 R HA 0.227 4.565 4.340 -0.004 0.000 0.271 166 R C -0.049 176.250 176.300 -0.003 0.000 1.010 166 R CA -1.126 54.970 56.100 -0.006 0.000 0.897 166 R CB 1.138 31.434 30.300 -0.007 0.000 1.236 166 R HN 0.585 nan 8.270 nan 0.000 0.466 167 N N 0.607 119.306 118.700 -0.002 0.000 2.756 167 N HA -0.296 4.442 4.740 -0.004 0.000 0.269 167 N C 0.498 176.009 175.510 0.002 0.000 0.949 167 N CA 1.856 54.907 53.050 0.001 0.000 0.845 167 N CB -0.663 37.824 38.487 0.001 0.000 0.919 167 N HN 0.915 nan 8.380 nan 0.000 0.566 168 G N -0.887 107.914 108.800 0.003 0.000 4.240 168 G HA2 -0.280 3.677 3.960 -0.004 0.000 0.254 168 G HA3 -0.280 3.677 3.960 -0.004 0.000 0.254 168 G C -0.255 174.646 174.900 0.002 0.000 1.712 168 G CA 0.069 45.171 45.100 0.003 0.000 1.374 168 G HN 0.588 nan 8.290 nan 0.000 0.631 169 E N 2.047 122.248 120.200 0.001 0.000 2.376 169 E HA 0.545 4.893 4.350 -0.004 0.000 0.254 169 E C 0.417 177.016 176.600 -0.002 0.000 1.213 169 E CA -0.012 56.388 56.400 -0.000 0.000 0.945 169 E CB 0.335 30.035 29.700 -0.000 0.000 1.057 169 E HN 0.861 nan 8.360 nan 0.000 0.479 170 K N 0.891 121.289 120.400 -0.002 0.000 2.213 170 K HA 0.520 4.838 4.320 -0.004 0.000 0.270 170 K C -0.425 176.173 176.600 -0.004 0.000 1.002 170 K CA -0.567 55.718 56.287 -0.004 0.000 0.868 170 K CB 0.804 33.302 32.500 -0.004 0.000 1.093 170 K HN 0.595 nan 8.250 nan 0.000 0.454 171 M N 0.073 119.670 119.600 -0.005 0.000 2.619 171 M HA 0.443 4.921 4.480 -0.004 0.000 0.297 171 M C -1.084 175.213 176.300 -0.005 0.000 1.229 171 M CA -0.808 54.490 55.300 -0.004 0.000 0.860 171 M CB 2.269 34.867 32.600 -0.003 0.000 1.741 171 M HN 0.566 nan 8.290 nan 0.000 0.462 172 S N 2.271 117.969 115.700 -0.004 0.000 2.454 172 S HA 0.852 5.319 4.470 -0.004 0.000 0.306 172 S C -0.840 173.758 174.600 -0.003 0.000 1.100 172 S CA -0.499 57.699 58.200 -0.004 0.000 1.087 172 S CB 0.714 63.911 63.200 -0.005 0.000 1.019 172 S HN 0.736 nan 8.310 nan 0.000 0.480 173 I N 0.797 121.365 120.570 -0.002 0.000 3.334 173 I HA 0.611 4.779 4.170 -0.004 0.000 0.316 173 I C -1.089 175.030 176.117 0.003 0.000 1.251 173 I CA -1.307 59.993 61.300 0.000 0.000 0.929 173 I CB 0.525 38.525 38.000 0.001 0.000 1.317 173 I HN 0.452 nan 8.210 nan 0.000 0.479 174 N N 1.630 120.334 118.700 0.006 0.000 2.440 174 N HA 0.426 5.163 4.740 -0.004 0.000 0.265 174 N C 1.143 176.663 175.510 0.017 0.000 1.239 174 N CA 0.590 53.647 53.050 0.011 0.000 0.909 174 N CB 1.189 39.683 38.487 0.012 0.000 1.066 174 N HN 0.894 nan 8.380 nan 0.000 0.474 175 A N 3.274 126.106 122.820 0.020 0.000 1.954 175 A HA -0.331 3.986 4.320 -0.004 0.000 0.222 175 A C 1.788 179.401 177.584 0.049 0.000 1.199 175 A CA 1.803 53.861 52.037 0.034 0.000 0.657 175 A CB -0.603 18.421 19.000 0.041 0.000 0.823 175 A HN 0.837 nan 8.150 nan 0.000 0.463 176 E N -0.439 119.789 120.200 0.046 0.000 2.147 176 E HA -0.241 4.106 4.350 -0.004 0.000 0.199 176 E C 1.611 178.229 176.600 0.030 0.000 1.005 176 E CA 1.493 57.919 56.400 0.043 0.000 0.810 176 E CB -0.245 29.474 29.700 0.032 0.000 0.736 176 E HN 0.786 nan 8.360 nan 0.000 0.460 177 E N 0.529 120.742 120.200 0.022 0.000 2.512 177 E HA -0.004 4.344 4.350 -0.004 0.000 0.195 177 E C -0.410 176.196 176.600 0.011 0.000 1.083 177 E CA -0.164 56.245 56.400 0.014 0.000 0.873 177 E CB 0.428 30.133 29.700 0.009 0.000 0.897 177 E HN -0.013 nan 8.360 nan 0.000 0.514 178 V N 2.919 122.843 119.914 0.017 0.000 2.427 178 V HA 0.031 4.149 4.120 -0.004 0.000 0.268 178 V C 0.496 176.593 176.094 0.005 0.000 1.046 178 V CA -0.412 61.893 62.300 0.010 0.000 0.970 178 V CB 0.557 32.392 31.823 0.020 0.000 1.001 178 V HN 0.002 nan 8.190 nan 0.000 0.476 179 V N 4.471 124.381 119.914 -0.008 0.000 3.134 179 V HA 0.634 4.751 4.120 -0.004 0.000 0.313 179 V C 0.266 176.338 176.094 -0.035 0.000 1.069 179 V CA -0.745 61.549 62.300 -0.011 0.000 1.048 179 V CB 1.571 33.389 31.823 -0.008 0.000 1.119 179 V HN 0.418 nan 8.190 nan 0.000 0.461 180 V N 2.277 122.170 119.914 -0.035 0.000 2.715 180 V HA 0.586 4.703 4.120 -0.004 0.000 0.299 180 V C 1.586 177.601 176.094 -0.132 0.000 1.054 180 V CA 1.147 63.392 62.300 -0.091 0.000 1.077 180 V CB -0.242 31.563 31.823 -0.031 0.000 0.972 180 V HN 1.710 nan 8.190 nan 0.000 0.484 181 G N 2.866 111.482 108.800 -0.307 0.000 2.313 181 G HA2 -0.173 3.784 3.960 -0.004 0.000 0.215 181 G HA3 -0.173 3.784 3.960 -0.004 0.000 0.215 181 G C 0.007 174.798 174.900 -0.181 0.000 1.023 181 G CA 0.038 44.979 45.100 -0.265 0.000 0.626 181 G HN 0.843 nan 8.290 nan 0.000 0.503 182 D N 1.617 121.939 120.400 -0.130 0.000 2.387 182 D HA 0.525 5.162 4.640 -0.004 0.000 0.251 182 D C 0.938 177.181 176.300 -0.096 0.000 1.141 182 D CA -0.311 53.637 54.000 -0.087 0.000 0.987 182 D CB 1.208 41.977 40.800 -0.052 0.000 1.116 182 D HN 1.025 nan 8.370 nan 0.000 0.491 183 L N -1.233 119.953 121.223 -0.062 0.000 2.322 183 L HA 0.710 5.048 4.340 -0.004 0.000 0.279 183 L C -0.289 176.557 176.870 -0.040 0.000 1.036 183 L CA -1.040 53.768 54.840 -0.053 0.000 0.807 183 L CB 1.707 43.746 42.059 -0.032 0.000 1.226 183 L HN 0.338 nan 8.230 nan 0.000 0.433 184 V N 1.576 121.466 119.914 -0.040 0.000 2.914 184 V HA 0.588 4.706 4.120 -0.004 0.000 0.314 184 V C -0.838 175.241 176.094 -0.026 0.000 1.084 184 V CA -0.436 61.845 62.300 -0.030 0.000 0.963 184 V CB 2.056 33.861 31.823 -0.031 0.000 1.025 184 V HN 1.070 nan 8.190 nan 0.000 0.432 185 E N 2.502 122.689 120.200 -0.020 0.000 2.191 185 E HA 0.683 5.030 4.350 -0.004 0.000 0.274 185 E C -1.226 175.363 176.600 -0.018 0.000 0.948 185 E CA -0.829 55.561 56.400 -0.017 0.000 0.802 185 E CB 2.097 31.790 29.700 -0.012 0.000 1.137 185 E HN 1.174 nan 8.360 nan 0.000 0.397 186 V N 1.961 121.864 119.914 -0.018 0.000 2.483 186 V HA 0.594 4.712 4.120 -0.004 0.000 0.297 186 V C -0.687 175.399 176.094 -0.014 0.000 1.027 186 V CA -0.930 61.359 62.300 -0.019 0.000 0.855 186 V CB 1.407 33.216 31.823 -0.023 0.000 0.995 186 V HN 0.609 nan 8.190 nan 0.000 0.424 187 K N 4.458 124.850 120.400 -0.013 0.000 2.209 187 K HA 0.769 5.087 4.320 -0.004 0.000 0.238 187 K C 0.486 177.080 176.600 -0.010 0.000 1.028 187 K CA 0.360 56.641 56.287 -0.010 0.000 0.935 187 K CB 1.244 33.739 32.500 -0.009 0.000 1.162 187 K HN 1.132 nan 8.250 nan 0.000 0.485 188 G N -0.588 108.208 108.800 -0.008 0.000 2.380 188 G HA2 0.431 4.389 3.960 -0.004 0.000 0.262 188 G HA3 0.431 4.389 3.960 -0.004 0.000 0.262 188 G C 0.444 175.339 174.900 -0.009 0.000 1.243 188 G CA -0.002 45.094 45.100 -0.007 0.000 0.865 188 G HN 1.073 nan 8.290 nan 0.000 0.513 189 G N 1.814 110.607 108.800 -0.011 0.000 2.138 189 G HA2 -0.173 3.784 3.960 -0.004 0.000 0.193 189 G HA3 -0.173 3.784 3.960 -0.004 0.000 0.193 189 G C -0.183 174.707 174.900 -0.018 0.000 0.998 189 G CA 0.103 45.195 45.100 -0.013 0.000 0.668 189 G HN 0.738 nan 8.290 nan 0.000 0.516 190 D N -0.289 120.098 120.400 -0.021 0.000 2.419 190 D HA 0.510 5.148 4.640 -0.004 0.000 0.234 190 D C 0.238 176.515 176.300 -0.039 0.000 1.014 190 D CA -0.672 53.311 54.000 -0.028 0.000 0.919 190 D CB 1.098 41.882 40.800 -0.027 0.000 1.366 190 D HN 0.200 nan 8.370 nan 0.000 0.490 191 R N 0.755 121.222 120.500 -0.055 0.000 2.297 191 R HA 0.345 4.682 4.340 -0.004 0.000 0.308 191 R C 0.179 176.418 176.300 -0.101 0.000 1.029 191 R CA -0.841 55.209 56.100 -0.083 0.000 0.929 191 R CB 1.230 31.463 30.300 -0.111 0.000 1.046 191 R HN 0.341 nan 8.270 nan 0.000 0.461 192 I N 5.441 125.950 120.570 -0.100 0.000 2.742 192 I HA -0.057 4.110 4.170 -0.004 0.000 0.287 192 I C -1.393 174.634 176.117 -0.151 0.000 1.186 192 I CA -1.470 59.775 61.300 -0.092 0.000 1.417 192 I CB 0.245 38.213 38.000 -0.052 0.000 1.377 192 I HN 0.322 nan 8.210 nan 0.000 0.556 193 P HA -0.129 nan 4.420 nan 0.000 0.212 193 P C 0.326 177.630 177.300 0.006 0.000 1.178 193 P CA 1.824 64.886 63.100 -0.063 0.000 0.915 193 P CB 0.439 32.130 31.700 -0.015 0.000 0.788 194 A N -2.125 120.756 122.820 0.102 0.000 2.548 194 A HA 0.453 4.770 4.320 -0.004 0.000 0.282 194 A C -1.139 176.573 177.584 0.213 0.000 1.288 194 A CA -0.517 51.714 52.037 0.323 0.000 0.748 194 A CB 0.083 19.216 19.000 0.222 0.000 1.339 194 A HN -0.159 nan 8.150 nan 0.000 0.475 195 D N 0.626 121.162 120.400 0.228 0.000 2.351 195 D HA 0.498 5.135 4.640 -0.004 0.000 0.251 195 D C -0.808 175.464 176.300 -0.046 0.000 1.137 195 D CA 0.592 54.647 54.000 0.091 0.000 0.879 195 D CB 0.893 41.803 40.800 0.183 0.000 1.181 195 D HN 0.524 nan 8.370 nan 0.000 0.448 196 L N -0.409 120.730 121.223 -0.139 0.000 2.466 196 L HA 0.530 4.867 4.340 -0.004 0.000 0.258 196 L C -0.441 176.334 176.870 -0.158 0.000 0.973 196 L CA -1.026 53.725 54.840 -0.148 0.000 0.826 196 L CB 1.706 43.701 42.059 -0.107 0.000 1.372 196 L HN 0.095 nan 8.230 nan 0.000 0.409 197 R N 3.619 124.048 120.500 -0.118 0.000 2.204 197 R HA 0.534 4.872 4.340 -0.004 0.000 0.341 197 R C -0.276 176.005 176.300 -0.031 0.000 1.035 197 R CA -0.723 55.346 56.100 -0.052 0.000 0.887 197 R CB 0.509 30.814 30.300 0.008 0.000 1.114 197 R HN 0.835 nan 8.270 nan 0.000 0.473 198 I N 5.593 126.148 120.570 -0.024 0.000 2.683 198 I HA -0.012 4.155 4.170 -0.004 0.000 0.286 198 I C 1.236 177.360 176.117 0.012 0.000 1.175 198 I CA 0.373 61.666 61.300 -0.010 0.000 1.429 198 I CB 0.057 38.053 38.000 -0.006 0.000 1.371 198 I HN 0.739 nan 8.210 nan 0.000 0.569 199 I N 2.238 122.814 120.570 0.010 0.000 3.645 199 I HA 0.195 4.362 4.170 -0.004 0.000 0.300 199 I C 0.466 176.594 176.117 0.018 0.000 1.260 199 I CA 0.090 61.402 61.300 0.021 0.000 1.365 199 I CB 0.180 38.194 38.000 0.024 0.000 1.077 199 I HN 0.740 nan 8.210 nan 0.000 0.439 200 S N 0.463 116.169 115.700 0.011 0.000 2.565 200 S HA 0.872 5.340 4.470 -0.004 0.000 0.274 200 S C -0.785 173.817 174.600 0.004 0.000 1.144 200 S CA -0.139 58.067 58.200 0.009 0.000 0.849 200 S CB 1.920 65.125 63.200 0.009 0.000 1.103 200 S HN 0.679 nan 8.310 nan 0.000 0.455 201 A N 1.051 123.873 122.820 0.003 0.000 2.564 201 A HA 0.867 5.185 4.320 -0.004 0.000 0.291 201 A C -1.642 175.942 177.584 -0.001 0.000 1.102 201 A CA -0.697 51.340 52.037 -0.001 0.000 0.660 201 A CB 1.300 20.299 19.000 -0.002 0.000 1.283 201 A HN 1.388 nan 8.150 nan 0.000 0.430 202 N N -0.675 118.024 118.700 -0.002 0.000 2.594 202 N HA 0.482 5.220 4.740 -0.004 0.000 0.280 202 N C 0.112 175.622 175.510 -0.001 0.000 1.156 202 N CA 1.089 54.138 53.050 -0.001 0.000 0.831 202 N CB 1.309 39.796 38.487 0.000 0.000 1.379 202 N HN 2.246 nan 8.380 nan 0.000 0.536 203 G N 2.095 110.894 108.800 -0.002 0.000 2.221 203 G HA2 -0.261 3.696 3.960 -0.004 0.000 0.265 203 G HA3 -0.261 3.696 3.960 -0.004 0.000 0.265 203 G C 0.347 175.247 174.900 0.001 0.000 1.041 203 G CA 0.180 45.281 45.100 0.001 0.000 0.807 203 G HN 0.814 nan 8.290 nan 0.000 0.502 204 C N 0.477 119.775 119.300 -0.003 0.000 2.514 204 C HA 0.691 5.149 4.460 -0.004 0.000 0.392 204 C C 0.552 175.543 174.990 0.000 0.000 1.294 204 C CA -0.411 58.606 59.018 -0.002 0.000 1.957 204 C CB -0.037 27.701 27.740 -0.003 0.000 2.541 204 C HN 0.432 nan 8.230 nan 0.000 0.569 205 K N 5.045 125.449 120.400 0.005 0.000 2.578 205 K HA 0.521 4.839 4.320 -0.004 0.000 0.250 205 K C -1.166 175.443 176.600 0.016 0.000 0.955 205 K CA -0.408 55.886 56.287 0.011 0.000 0.825 205 K CB 2.059 34.567 32.500 0.012 0.000 1.151 205 K HN 0.544 nan 8.250 nan 0.000 0.432 206 V N 1.958 121.888 119.914 0.028 0.000 2.630 206 V HA 0.299 4.416 4.120 -0.004 0.000 0.305 206 V C -1.054 175.066 176.094 0.043 0.000 1.046 206 V CA -0.465 61.857 62.300 0.037 0.000 0.934 206 V CB 1.794 33.651 31.823 0.057 0.000 1.003 206 V HN 0.718 nan 8.190 nan 0.000 0.451 207 D N 4.101 124.523 120.400 0.036 0.000 2.347 207 D HA 0.283 4.921 4.640 -0.004 0.000 0.235 207 D C 0.328 176.654 176.300 0.042 0.000 1.149 207 D CA -0.027 53.991 54.000 0.030 0.000 0.850 207 D CB 0.807 41.615 40.800 0.013 0.000 1.061 207 D HN 0.561 nan 8.370 nan 0.000 0.487 208 N N 2.035 120.761 118.700 0.044 0.000 2.322 208 N HA -0.020 4.718 4.740 -0.004 0.000 0.194 208 N C 1.294 176.808 175.510 0.006 0.000 1.126 208 N CA -0.032 53.043 53.050 0.042 0.000 0.845 208 N CB 0.357 38.873 38.487 0.049 0.000 0.976 208 N HN 0.288 nan 8.380 nan 0.000 0.475 209 S N 1.284 116.984 115.700 0.000 0.000 2.420 209 S HA -0.271 4.196 4.470 -0.004 0.000 0.278 209 S C 1.709 176.295 174.600 -0.023 0.000 1.111 209 S CA 2.214 60.404 58.200 -0.016 0.000 1.315 209 S CB -0.892 62.298 63.200 -0.016 0.000 1.226 209 S HN 0.653 nan 8.310 nan 0.000 0.444 210 S N 0.997 116.691 115.700 -0.010 0.000 2.845 210 S HA 0.103 4.571 4.470 -0.004 0.000 0.246 210 S C 0.885 175.485 174.600 0.000 0.000 0.987 210 S CA 0.659 58.858 58.200 -0.001 0.000 1.012 210 S CB -0.407 62.809 63.200 0.027 0.000 0.793 210 S HN 0.537 nan 8.310 nan 0.000 0.544 211 L N -0.594 120.606 121.223 -0.040 0.000 2.195 211 L HA 0.029 4.367 4.340 -0.004 0.000 0.222 211 L C 2.069 178.875 176.870 -0.107 0.000 1.132 211 L CA 1.080 55.865 54.840 -0.092 0.000 1.159 211 L CB -0.521 41.434 42.059 -0.175 0.000 2.382 211 L HN 0.503 nan 8.230 nan 0.000 0.523 212 T N -3.646 110.853 114.554 -0.092 0.000 3.009 212 T HA 0.210 4.558 4.350 -0.004 0.000 0.258 212 T C 1.434 176.081 174.700 -0.089 0.000 1.063 212 T CA 1.041 63.083 62.100 -0.098 0.000 1.139 212 T CB 0.619 69.439 68.868 -0.079 0.000 0.890 212 T HN 0.560 nan 8.240 nan 0.000 0.471 213 G N 0.992 109.752 108.800 -0.066 0.000 2.241 213 G HA2 -0.194 3.764 3.960 -0.004 0.000 0.244 213 G HA3 -0.194 3.764 3.960 -0.004 0.000 0.244 213 G C -0.073 174.795 174.900 -0.054 0.000 0.998 213 G CA 0.055 45.119 45.100 -0.061 0.000 0.621 213 G HN 0.593 nan 8.290 nan 0.000 0.519 214 E N 0.370 120.538 120.200 -0.053 0.000 2.283 214 E HA 0.625 4.973 4.350 -0.004 0.000 0.271 214 E C 0.833 177.422 176.600 -0.018 0.000 1.031 214 E CA 0.058 56.437 56.400 -0.036 0.000 0.868 214 E CB 1.554 31.233 29.700 -0.035 0.000 1.094 214 E HN 0.055 nan 8.360 nan 0.000 0.401 215 S N 0.956 116.650 115.700 -0.010 0.000 2.475 215 S HA -0.051 4.417 4.470 -0.004 0.000 0.224 215 S C 0.278 174.881 174.600 0.006 0.000 1.042 215 S CA 0.051 58.248 58.200 -0.005 0.000 0.935 215 S CB 0.127 63.321 63.200 -0.010 0.000 0.801 215 S HN 0.527 nan 8.310 nan 0.000 0.509 216 E N 3.839 124.048 120.200 0.014 0.000 2.480 216 E HA 0.046 4.394 4.350 -0.004 0.000 0.258 216 E C -2.383 174.234 176.600 0.028 0.000 0.984 216 E CA -1.325 55.088 56.400 0.022 0.000 0.930 216 E CB -0.008 29.713 29.700 0.035 0.000 0.936 216 E HN 0.189 nan 8.360 nan 0.000 0.466 217 P HA -0.087 nan 4.420 nan 0.000 0.265 217 P C -0.768 176.553 177.300 0.035 0.000 1.187 217 P CA 0.310 63.426 63.100 0.026 0.000 0.766 217 P CB 0.811 32.523 31.700 0.018 0.000 0.820 218 Q N 1.200 121.024 119.800 0.039 0.000 2.240 218 Q HA 0.501 4.839 4.340 -0.004 0.000 0.260 218 Q C 0.354 176.368 176.000 0.024 0.000 1.018 218 Q CA -0.385 55.443 55.803 0.041 0.000 0.898 218 Q CB 1.276 30.053 28.738 0.065 0.000 1.301 218 Q HN 0.524 nan 8.270 nan 0.000 0.469 219 T N -1.082 113.473 114.554 0.002 0.000 2.932 219 T HA 0.752 5.099 4.350 -0.004 0.000 0.289 219 T C -0.165 174.519 174.700 -0.026 0.000 1.039 219 T CA -1.055 61.036 62.100 -0.016 0.000 1.024 219 T CB 1.551 70.397 68.868 -0.038 0.000 1.090 219 T HN 0.198 nan 8.240 nan 0.000 0.496 220 R N 1.438 121.925 120.500 -0.021 0.000 2.439 220 R HA 0.632 4.970 4.340 -0.004 0.000 0.310 220 R C -0.442 175.842 176.300 -0.026 0.000 0.955 220 R CA -0.592 55.498 56.100 -0.016 0.000 0.853 220 R CB 1.628 31.928 30.300 0.000 0.000 1.171 220 R HN 0.883 nan 8.270 nan 0.000 0.449 221 S N 3.125 118.808 115.700 -0.029 0.000 2.537 221 S HA 0.510 4.978 4.470 -0.004 0.000 0.301 221 S C -1.653 172.968 174.600 0.036 0.000 1.092 221 S CA -1.539 56.653 58.200 -0.014 0.000 1.048 221 S CB 1.818 64.987 63.200 -0.051 0.000 1.053 221 S HN 0.323 nan 8.310 nan 0.000 0.501 222 P HA 0.017 nan 4.420 nan 0.000 0.219 222 P C 0.281 177.625 177.300 0.073 0.000 1.150 222 P CA 0.960 64.086 63.100 0.045 0.000 0.814 222 P CB 0.048 31.765 31.700 0.030 0.000 0.787 223 D N -2.011 118.444 120.400 0.092 0.000 2.350 223 D HA 0.334 4.972 4.640 -0.004 0.000 0.272 223 D C 0.266 176.715 176.300 0.248 0.000 1.204 223 D CA -0.648 53.424 54.000 0.119 0.000 1.124 223 D CB 0.162 41.017 40.800 0.092 0.000 1.189 223 D HN -0.133 nan 8.370 nan 0.000 0.556 224 F N -1.495 118.463 119.950 0.013 0.000 2.183 224 F HA -0.050 4.476 4.527 -0.003 0.000 0.318 224 F C -1.101 174.716 175.800 0.028 0.000 0.803 224 F CA 0.715 58.731 58.000 0.027 0.000 0.912 224 F CB -1.094 37.934 39.000 0.046 0.000 4.135 224 F HN 0.454 nan 8.300 nan 0.000 0.137 225 T N 1.804 115.759 114.554 -0.998 0.000 2.686 225 T HA 0.645 4.992 4.350 -0.004 0.000 0.308 225 T C -1.215 172.732 174.700 -1.256 0.000 1.667 225 T CA -0.348 61.316 62.100 -0.728 0.000 0.987 225 T CB 1.981 70.634 68.868 -0.357 0.000 1.652 225 T HN 1.025 nan 8.240 nan 0.000 0.496 226 N N -0.522 117.886 118.700 -0.487 0.000 3.189 226 N HA 0.091 4.829 4.740 -0.004 0.000 0.363 226 N C -1.811 173.673 175.510 -0.043 0.000 1.289 226 N CA -0.668 52.220 53.050 -0.269 0.000 0.849 226 N CB 0.183 38.583 38.487 -0.145 0.000 2.066 226 N HN 0.601 nan 8.380 nan 0.000 0.377 227 E N 1.979 122.203 120.200 0.040 0.000 2.070 227 E HA -0.063 4.284 4.350 -0.004 0.000 0.249 227 E C 0.051 176.699 176.600 0.080 0.000 1.247 227 E CA 0.475 56.916 56.400 0.067 0.000 1.009 227 E CB -1.532 28.230 29.700 0.104 0.000 1.093 227 E HN 0.535 nan 8.360 nan 0.000 0.443 228 N N 2.666 121.415 118.700 0.082 0.000 2.305 228 N HA -0.268 4.470 4.740 -0.004 0.000 0.176 228 N C -1.404 174.119 175.510 0.022 0.000 0.748 228 N CA 2.163 55.303 53.050 0.151 0.000 0.932 228 N CB -0.531 38.038 38.487 0.137 0.000 1.002 228 N HN 0.487 nan 8.380 nan 0.000 1.037 229 P HA 0.138 nan 4.420 nan 0.000 0.330 229 P C 1.266 178.620 177.300 0.090 0.000 0.964 229 P CA 0.227 63.256 63.100 -0.118 0.000 1.508 229 P CB 0.478 32.162 31.700 -0.028 0.000 1.013 230 L N 0.283 121.583 121.223 0.128 0.000 2.313 230 L HA 0.080 4.417 4.340 -0.004 0.000 0.214 230 L C 1.992 178.981 176.870 0.198 0.000 1.119 230 L CA 1.245 56.172 54.840 0.146 0.000 0.809 230 L CB -0.488 41.552 42.059 -0.032 0.000 0.933 230 L HN -0.025 nan 8.230 nan 0.000 0.449 231 E N -1.161 119.154 120.200 0.192 0.000 2.498 231 E HA 0.025 4.372 4.350 -0.004 0.000 0.203 231 E C 0.711 177.518 176.600 0.345 0.000 1.013 231 E CA -0.059 56.484 56.400 0.238 0.000 0.927 231 E CB 0.515 30.343 29.700 0.214 0.000 1.012 231 E HN 0.129 nan 8.360 nan 0.000 0.482 232 T N 0.748 115.509 114.554 0.345 0.000 2.870 232 T HA 0.081 4.429 4.350 -0.004 0.000 0.300 232 T C 0.829 175.823 174.700 0.490 0.000 0.989 232 T CA -0.164 62.249 62.100 0.521 0.000 1.139 232 T CB 0.572 69.670 68.868 0.384 0.000 0.920 232 T HN -0.010 nan 8.240 nan 0.000 0.537 233 R N 2.900 123.726 120.500 0.543 0.000 2.369 233 R HA 0.031 4.369 4.340 -0.004 0.000 0.200 233 R C 0.867 177.255 176.300 0.148 0.000 1.046 233 R CA 0.699 56.873 56.100 0.122 0.000 1.057 233 R CB -0.219 29.891 30.300 -0.317 0.000 0.888 233 R HN 0.689 nan 8.270 nan 0.000 0.474 234 N N -0.594 118.255 118.700 0.249 0.000 2.275 234 N HA 0.083 4.820 4.740 -0.004 0.000 0.236 234 N C -0.534 175.024 175.510 0.080 0.000 1.154 234 N CA -0.025 53.120 53.050 0.157 0.000 0.866 234 N CB 0.671 39.273 38.487 0.193 0.000 1.093 234 N HN -0.087 nan 8.380 nan 0.000 0.515 235 I N 0.545 121.123 120.570 0.013 0.000 2.647 235 I HA 0.680 4.848 4.170 -0.004 0.000 0.295 235 I C -0.682 175.246 176.117 -0.316 0.000 1.078 235 I CA -1.285 59.895 61.300 -0.201 0.000 1.048 235 I CB 1.615 39.414 38.000 -0.335 0.000 1.239 235 I HN 0.137 nan 8.210 nan 0.000 0.421 236 A N 5.516 128.088 122.820 -0.413 0.000 2.374 236 A HA 0.869 5.186 4.320 -0.004 0.000 0.317 236 A C -1.390 175.896 177.584 -0.496 0.000 1.094 236 A CA -0.353 51.512 52.037 -0.286 0.000 0.765 236 A CB 1.065 19.993 19.000 -0.120 0.000 1.268 236 A HN 0.417 nan 8.150 nan 0.000 0.438 237 F N 0.549 120.539 119.950 0.065 0.000 2.507 237 F HA 0.449 4.973 4.527 -0.005 0.000 0.327 237 F C 1.085 176.957 175.800 0.120 0.000 1.068 237 F CA -0.511 57.552 58.000 0.106 0.000 0.965 237 F CB 1.175 40.235 39.000 0.101 0.000 1.192 237 F HN 0.766 nan 8.300 nan 0.000 0.476 238 F N 1.673 121.770 119.950 0.245 0.000 2.032 238 F HA -0.353 4.171 4.527 -0.004 0.000 0.297 238 F C 2.527 178.409 175.800 0.136 0.000 1.125 238 F CA 2.671 60.760 58.000 0.147 0.000 1.202 238 F CB -0.556 38.519 39.000 0.125 0.000 0.958 238 F HN 0.456 nan 8.300 nan 0.000 0.491 239 S N -0.737 115.062 115.700 0.165 0.000 2.357 239 S HA -0.092 4.375 4.470 -0.004 0.000 0.221 239 S C 1.337 175.931 174.600 -0.010 0.000 1.031 239 S CA 0.609 58.830 58.200 0.035 0.000 0.982 239 S CB -1.903 61.423 63.200 0.211 0.000 0.853 239 S HN 0.634 nan 8.310 nan 0.000 0.458 240 T N 2.216 116.813 114.554 0.072 0.000 2.701 240 T HA 0.218 4.565 4.350 -0.004 0.000 0.354 240 T C -0.261 174.443 174.700 0.006 0.000 1.085 240 T CA 0.002 62.136 62.100 0.056 0.000 1.094 240 T CB -0.452 68.490 68.868 0.124 0.000 1.010 240 T HN 0.733 nan 8.240 nan 0.000 0.548 241 N N -1.661 117.045 118.700 0.009 0.000 2.329 241 N HA 0.425 5.162 4.740 -0.004 0.000 0.282 241 N C -1.297 174.214 175.510 0.002 0.000 1.198 241 N CA -1.061 51.983 53.050 -0.010 0.000 0.790 241 N CB 1.294 39.767 38.487 -0.023 0.000 1.579 241 N HN 0.910 nan 8.380 nan 0.000 0.475 242 C N 1.383 120.679 119.300 -0.006 0.000 2.585 242 C HA 0.379 4.836 4.460 -0.004 0.000 0.406 242 C C 1.298 176.286 174.990 -0.003 0.000 1.312 242 C CA -0.244 58.773 59.018 -0.002 0.000 1.924 242 C CB -0.812 26.923 27.740 -0.007 0.000 2.578 242 C HN 0.587 nan 8.230 nan 0.000 0.580 243 V N 4.169 124.083 119.914 0.001 0.000 3.621 243 V HA 0.236 4.353 4.120 -0.004 0.000 0.263 243 V C 0.342 176.435 176.094 -0.003 0.000 1.272 243 V CA 0.763 63.062 62.300 -0.002 0.000 1.080 243 V CB -1.114 30.709 31.823 0.000 0.000 0.816 243 V HN 0.975 nan 8.190 nan 0.000 0.451 244 E N -1.291 118.908 120.200 -0.001 0.000 2.393 244 E HA 0.534 4.881 4.350 -0.004 0.000 0.282 244 E C -0.100 176.501 176.600 0.001 0.000 1.096 244 E CA -0.334 56.066 56.400 -0.000 0.000 0.866 244 E CB 0.992 30.693 29.700 0.001 0.000 1.232 244 E HN 0.489 nan 8.360 nan 0.000 0.431 245 G N 0.313 109.114 108.800 0.001 0.000 2.615 245 G HA2 0.189 4.146 3.960 -0.004 0.000 0.218 245 G HA3 0.189 4.146 3.960 -0.004 0.000 0.218 245 G C -0.258 174.641 174.900 -0.002 0.000 1.339 245 G CA 0.056 45.156 45.100 0.001 0.000 0.884 245 G HN 1.366 nan 8.290 nan 0.000 0.559 246 T N -1.859 112.693 114.554 -0.002 0.000 2.821 246 T HA 0.928 5.276 4.350 -0.004 0.000 0.306 246 T C -0.505 174.192 174.700 -0.005 0.000 1.313 246 T CA 0.928 63.025 62.100 -0.004 0.000 1.012 246 T CB 1.243 70.109 68.868 -0.004 0.000 1.298 246 T HN 2.741 nan 8.240 nan 0.000 0.502 247 A N 1.899 124.714 122.820 -0.008 0.000 2.597 247 A HA 0.852 5.170 4.320 -0.004 0.000 0.292 247 A C -1.544 176.033 177.584 -0.012 0.000 1.057 247 A CA -0.965 51.066 52.037 -0.009 0.000 0.674 247 A CB 1.480 20.474 19.000 -0.010 0.000 1.278 247 A HN 0.921 nan 8.150 nan 0.000 0.416 248 R N -0.067 120.426 120.500 -0.012 0.000 2.575 248 R HA 0.673 5.010 4.340 -0.004 0.000 0.293 248 R C 0.116 176.405 176.300 -0.019 0.000 0.983 248 R CA -0.024 56.067 56.100 -0.015 0.000 0.887 248 R CB 2.434 32.729 30.300 -0.009 0.000 1.184 248 R HN 1.259 nan 8.270 nan 0.000 0.445 249 G N 1.907 110.688 108.800 -0.032 0.000 2.866 249 G HA2 0.677 4.634 3.960 -0.004 0.000 0.289 249 G HA3 0.677 4.634 3.960 -0.004 0.000 0.289 249 G C -1.225 173.636 174.900 -0.065 0.000 1.396 249 G CA -0.671 44.404 45.100 -0.042 0.000 0.848 249 G HN 0.370 nan 8.290 nan 0.000 0.515 250 I N 1.237 121.750 120.570 -0.095 0.000 2.418 250 I HA 0.243 4.411 4.170 -0.004 0.000 0.287 250 I C 0.404 176.366 176.117 -0.258 0.000 1.008 250 I CA -1.102 60.098 61.300 -0.166 0.000 1.104 250 I CB 2.062 39.962 38.000 -0.166 0.000 1.264 250 I HN 0.394 nan 8.210 nan 0.000 0.438 251 V N 5.469 125.233 119.914 -0.251 0.000 2.536 251 V HA -0.033 4.084 4.120 -0.004 0.000 0.287 251 V C 0.865 176.707 176.094 -0.419 0.000 0.979 251 V CA -0.041 62.114 62.300 -0.242 0.000 1.161 251 V CB 0.042 31.769 31.823 -0.159 0.000 0.915 251 V HN 0.647 nan 8.190 nan 0.000 0.467 252 V N 4.006 123.695 119.914 -0.376 0.000 3.174 252 V HA 0.263 4.381 4.120 -0.004 0.000 0.254 252 V C 0.242 175.953 176.094 -0.639 0.000 1.120 252 V CA 0.669 62.641 62.300 -0.547 0.000 1.114 252 V CB -1.006 30.529 31.823 -0.481 0.000 0.756 252 V HN 0.831 nan 8.190 nan 0.000 0.467 253 Y N -0.905 119.365 120.300 -0.050 0.000 2.482 253 Y HA 0.593 5.141 4.550 -0.005 0.000 0.334 253 Y C -0.117 175.763 175.900 -0.033 0.000 1.091 253 Y CA -1.219 56.866 58.100 -0.026 0.000 1.027 253 Y CB 1.915 40.370 38.460 -0.008 0.000 1.306 253 Y HN -0.192 nan 8.280 nan 0.000 0.446 254 T N 2.038 116.675 114.554 0.139 0.000 2.792 254 T HA 0.565 4.913 4.350 -0.004 0.000 0.280 254 T C 0.700 175.359 174.700 -0.069 0.000 0.990 254 T CA 0.503 62.628 62.100 0.042 0.000 0.960 254 T CB 0.376 69.265 68.868 0.034 0.000 0.939 254 T HN 1.197 nan 8.240 nan 0.000 0.439 255 G N 5.010 113.701 108.800 -0.183 0.000 2.685 255 G HA2 -0.387 3.571 3.960 -0.004 0.000 0.329 255 G HA3 -0.387 3.571 3.960 -0.004 0.000 0.329 255 G C 0.941 175.593 174.900 -0.414 0.000 1.271 255 G CA 0.845 45.713 45.100 -0.387 0.000 1.003 255 G HN 0.783 nan 8.290 nan 0.000 0.549 256 D N 0.793 121.027 120.400 -0.277 0.000 2.292 256 D HA -0.140 4.497 4.640 -0.004 0.000 0.205 256 D C 2.395 178.552 176.300 -0.238 0.000 0.994 256 D CA 1.563 55.417 54.000 -0.244 0.000 0.897 256 D CB -0.068 40.637 40.800 -0.159 0.000 0.907 256 D HN 0.546 nan 8.370 nan 0.000 0.467 257 R N -0.239 120.131 120.500 -0.216 0.000 2.334 257 R HA 0.075 4.413 4.340 -0.004 0.000 0.216 257 R C 1.359 177.469 176.300 -0.317 0.000 0.905 257 R CA 0.207 56.166 56.100 -0.236 0.000 1.064 257 R CB 0.420 30.629 30.300 -0.152 0.000 1.046 257 R HN 0.195 nan 8.270 nan 0.000 0.508 258 T N -2.671 111.733 114.554 -0.250 0.000 2.773 258 T HA 0.048 4.396 4.350 -0.004 0.000 0.337 258 T C 1.537 176.152 174.700 -0.141 0.000 1.086 258 T CA -0.491 61.528 62.100 -0.135 0.000 0.998 258 T CB 0.567 69.345 68.868 -0.150 0.000 1.281 258 T HN -0.201 nan 8.240 nan 0.000 0.525 259 V N 0.191 120.127 119.914 0.036 0.000 2.446 259 V HA -0.036 4.082 4.120 -0.004 0.000 0.244 259 V C 2.597 178.667 176.094 -0.040 0.000 1.039 259 V CA 1.134 63.451 62.300 0.028 0.000 1.045 259 V CB -0.662 31.258 31.823 0.163 0.000 0.681 259 V HN 0.692 nan 8.190 nan 0.000 0.459 260 M N 0.460 120.065 119.600 0.010 0.000 2.562 260 M HA 0.135 4.612 4.480 -0.004 0.000 0.257 260 M C 2.043 178.137 176.300 -0.344 0.000 1.099 260 M CA 0.990 56.265 55.300 -0.042 0.000 1.099 260 M CB -1.642 31.111 32.600 0.255 0.000 1.427 260 M HN 0.347 nan 8.290 nan 0.000 0.489 261 G N -0.286 108.288 108.800 -0.376 0.000 2.404 261 G HA2 -0.180 3.777 3.960 -0.004 0.000 0.213 261 G HA3 -0.180 3.777 3.960 -0.004 0.000 0.213 261 G C 1.844 176.531 174.900 -0.355 0.000 1.189 261 G CA 0.340 45.167 45.100 -0.456 0.000 0.796 261 G HN 0.290 nan 8.290 nan 0.000 0.532 262 R N -0.160 120.181 120.500 -0.265 0.000 2.113 262 R HA -0.085 4.252 4.340 -0.004 0.000 0.244 262 R C 2.538 178.719 176.300 -0.199 0.000 1.142 262 R CA 1.396 57.373 56.100 -0.204 0.000 0.953 262 R CB -0.335 29.866 30.300 -0.164 0.000 0.860 262 R HN 0.307 nan 8.270 nan 0.000 0.438 263 I N -0.084 120.358 120.570 -0.214 0.000 2.133 263 I HA -0.199 3.969 4.170 -0.004 0.000 0.238 263 I C 2.358 178.293 176.117 -0.304 0.000 1.074 263 I CA 1.584 62.781 61.300 -0.173 0.000 1.342 263 I CB -1.486 36.470 38.000 -0.073 0.000 1.053 263 I HN 0.246 nan 8.210 nan 0.000 0.404 264 A N 0.495 122.828 122.820 -0.812 0.000 1.971 264 A HA -0.287 4.031 4.320 -0.004 0.000 0.222 264 A C 2.415 179.766 177.584 -0.388 0.000 1.182 264 A CA 2.862 54.160 52.037 -1.232 0.000 0.649 264 A CB -1.196 16.949 19.000 -1.425 0.000 0.818 264 A HN 0.485 nan 8.150 nan 0.000 0.458 265 T N -0.372 114.003 114.554 -0.299 0.000 2.698 265 T HA -0.068 4.279 4.350 -0.004 0.000 0.260 265 T C 1.859 176.500 174.700 -0.098 0.000 1.044 265 T CA 1.311 63.313 62.100 -0.164 0.000 1.149 265 T CB -0.477 68.296 68.868 -0.158 0.000 0.864 265 T HN 0.359 nan 8.240 nan 0.000 0.419 266 L N 2.167 123.331 121.223 -0.098 0.000 1.956 266 L HA 0.038 4.376 4.340 -0.004 0.000 0.216 266 L C 1.951 178.811 176.870 -0.017 0.000 1.073 266 L CA 2.008 56.815 54.840 -0.055 0.000 0.762 266 L CB -1.261 40.764 42.059 -0.057 0.000 0.889 266 L HN 0.235 nan 8.230 nan 0.000 0.433 267 A N -1.747 121.085 122.820 0.020 0.000 2.358 267 A HA 0.299 4.616 4.320 -0.004 0.000 0.232 267 A C 1.622 179.256 177.584 0.084 0.000 1.498 267 A CA 1.039 53.119 52.037 0.072 0.000 1.400 267 A CB -0.736 18.359 19.000 0.159 0.000 0.852 267 A HN 0.651 nan 8.150 nan 0.000 0.605 268 S N -1.589 114.131 115.700 0.034 0.000 4.772 268 S HA 0.177 4.645 4.470 -0.004 0.000 0.177 268 S C 1.793 176.394 174.600 0.002 0.000 1.117 268 S CA 0.993 59.211 58.200 0.030 0.000 1.250 268 S CB -0.834 62.386 63.200 0.033 0.000 1.749 268 S HN 0.721 nan 8.310 nan 0.000 0.589 269 G N 1.960 110.752 108.800 -0.015 0.000 2.559 269 G HA2 0.093 4.050 3.960 -0.004 0.000 0.216 269 G HA3 0.093 4.050 3.960 -0.004 0.000 0.216 269 G C 0.411 175.299 174.900 -0.020 0.000 1.126 269 G CA 0.556 45.644 45.100 -0.021 0.000 0.778 269 G HN 0.425 nan 8.290 nan 0.000 0.543 270 L N 0.297 121.510 121.223 -0.017 0.000 2.371 270 L HA 0.651 4.989 4.340 -0.004 0.000 0.272 270 L C -0.590 176.270 176.870 -0.016 0.000 1.124 270 L CA -0.965 53.864 54.840 -0.018 0.000 0.816 270 L CB 1.658 43.706 42.059 -0.018 0.000 1.129 270 L HN -0.022 nan 8.230 nan 0.000 0.448 271 E N 1.840 122.029 120.200 -0.019 0.000 2.248 271 E HA 0.558 4.906 4.350 -0.004 0.000 0.267 271 E C 0.394 176.981 176.600 -0.022 0.000 0.877 271 E CA 0.054 56.442 56.400 -0.019 0.000 0.759 271 E CB 1.803 31.492 29.700 -0.018 0.000 1.182 271 E HN 0.664 nan 8.360 nan 0.000 0.418 272 G N 2.473 111.258 108.800 -0.025 0.000 2.616 272 G HA2 0.348 4.306 3.960 -0.004 0.000 0.215 272 G HA3 0.348 4.306 3.960 -0.004 0.000 0.215 272 G C 0.738 175.621 174.900 -0.028 0.000 1.284 272 G CA 0.955 46.038 45.100 -0.028 0.000 0.823 272 G HN 1.034 nan 8.290 nan 0.000 0.569 273 G N -1.544 107.238 108.800 -0.029 0.000 2.286 273 G HA2 0.055 4.013 3.960 -0.004 0.000 0.118 273 G HA3 0.055 4.013 3.960 -0.004 0.000 0.118 273 G C -0.996 173.884 174.900 -0.033 0.000 1.267 273 G CA -0.283 44.800 45.100 -0.028 0.000 1.171 273 G HN 0.515 nan 8.290 nan 0.000 0.465 274 Q N 1.582 121.362 119.800 -0.034 0.000 2.322 274 Q HA 0.470 4.808 4.340 -0.004 0.000 0.256 274 Q C 0.155 176.129 176.000 -0.043 0.000 0.960 274 Q CA 0.143 55.922 55.803 -0.040 0.000 0.934 274 Q CB 1.354 30.069 28.738 -0.037 0.000 1.200 274 Q HN 0.707 nan 8.270 nan 0.000 0.435 275 T N 1.654 116.179 114.554 -0.048 0.000 2.751 275 T HA 0.104 4.451 4.350 -0.004 0.000 0.290 275 T C -1.874 172.800 174.700 -0.043 0.000 0.919 275 T CA -1.516 60.554 62.100 -0.049 0.000 1.136 275 T CB 0.592 69.428 68.868 -0.053 0.000 0.875 275 T HN 0.289 nan 8.240 nan 0.000 0.532 276 P HA -0.256 nan 4.420 nan 0.000 0.218 276 P C 1.725 179.020 177.300 -0.010 0.000 1.132 276 P CA 1.043 64.117 63.100 -0.043 0.000 0.968 276 P CB -0.091 31.563 31.700 -0.077 0.000 0.783 277 I N -0.902 119.670 120.570 0.002 0.000 2.236 277 I HA -0.295 3.873 4.170 -0.004 0.000 0.249 277 I C 1.723 177.863 176.117 0.039 0.000 1.102 277 I CA 2.528 63.868 61.300 0.067 0.000 1.365 277 I CB -1.181 36.856 38.000 0.062 0.000 1.051 277 I HN -0.097 nan 8.210 nan 0.000 0.420 278 A N 0.278 123.094 122.820 -0.007 0.000 2.119 278 A HA 0.203 4.520 4.320 -0.004 0.000 0.216 278 A C 2.273 179.822 177.584 -0.059 0.000 1.152 278 A CA 1.104 53.119 52.037 -0.037 0.000 0.708 278 A CB -0.614 18.353 19.000 -0.054 0.000 0.805 278 A HN 0.570 nan 8.150 nan 0.000 0.460 279 A N -0.985 121.811 122.820 -0.040 0.000 2.238 279 A HA 0.231 4.549 4.320 -0.004 0.000 0.210 279 A C 1.703 179.271 177.584 -0.028 0.000 1.179 279 A CA 1.180 53.187 52.037 -0.051 0.000 0.827 279 A CB -0.081 18.898 19.000 -0.036 0.000 0.856 279 A HN 0.372 nan 8.150 nan 0.000 0.488 280 E N -0.143 120.067 120.200 0.017 0.000 2.250 280 E HA 0.087 4.434 4.350 -0.004 0.000 0.192 280 E C 1.305 177.950 176.600 0.075 0.000 0.986 280 E CA 0.290 56.736 56.400 0.076 0.000 0.849 280 E CB -0.053 29.733 29.700 0.144 0.000 0.797 280 E HN 0.435 nan 8.360 nan 0.000 0.482 281 I N 1.289 121.856 120.570 -0.005 0.000 3.241 281 I HA -0.089 4.078 4.170 -0.004 0.000 0.280 281 I C 0.996 176.903 176.117 -0.351 0.000 1.320 281 I CA 0.921 62.157 61.300 -0.107 0.000 1.413 281 I CB -0.528 37.404 38.000 -0.114 0.000 1.060 281 I HN 0.094 nan 8.210 nan 0.000 0.500 282 E N -0.391 119.649 120.200 -0.267 0.000 2.175 282 E HA -0.010 4.337 4.350 -0.004 0.000 0.193 282 E C 2.071 178.426 176.600 -0.408 0.000 0.962 282 E CA 0.326 56.472 56.400 -0.424 0.000 0.981 282 E CB -0.442 29.056 29.700 -0.337 0.000 1.093 282 E HN 0.212 nan 8.360 nan 0.000 0.483 283 H N -0.090 118.824 119.070 -0.260 0.000 2.478 283 H HA -0.217 4.337 4.556 -0.004 0.000 0.294 283 H C 1.736 177.071 175.328 0.012 0.000 1.125 283 H CA 1.963 57.944 56.048 -0.112 0.000 1.225 283 H CB -0.013 29.745 29.762 -0.007 0.000 1.360 283 H HN 0.264 nan 8.280 nan 0.000 0.519 284 F N -0.425 119.559 119.950 0.056 0.000 2.437 284 F HA 0.116 4.640 4.527 -0.004 0.000 0.288 284 F C 2.324 178.172 175.800 0.080 0.000 1.085 284 F CA 0.271 58.313 58.000 0.069 0.000 1.430 284 F CB -1.136 37.904 39.000 0.066 0.000 1.120 284 F HN 0.019 nan 8.300 nan 0.000 0.556 285 I N 0.493 120.497 120.570 -0.943 0.000 2.399 285 I HA -0.345 3.823 4.170 -0.004 0.000 0.254 285 I C 2.223 178.315 176.117 -0.041 0.000 1.146 285 I CA 1.815 62.656 61.300 -0.765 0.000 1.412 285 I CB -0.355 37.053 38.000 -0.987 0.000 1.076 285 I HN 0.338 nan 8.210 nan 0.000 0.432 286 H N -0.100 118.891 119.070 -0.132 0.000 2.306 286 H HA -0.078 4.476 4.556 -0.004 0.000 0.307 286 H C 2.371 177.709 175.328 0.016 0.000 1.061 286 H CA 1.226 57.245 56.048 -0.048 0.000 1.359 286 H CB 0.219 29.918 29.762 -0.106 0.000 1.407 286 H HN 0.258 nan 8.280 nan 0.000 0.517 287 I N 0.546 121.210 120.570 0.157 0.000 2.118 287 I HA -0.312 3.856 4.170 -0.004 0.000 0.241 287 I C 2.133 178.343 176.117 0.155 0.000 1.070 287 I CA 1.081 62.449 61.300 0.112 0.000 1.327 287 I CB -0.032 38.030 38.000 0.103 0.000 1.034 287 I HN 0.196 nan 8.210 nan 0.000 0.405 288 I N 0.531 121.248 120.570 0.245 0.000 2.163 288 I HA -0.319 3.848 4.170 -0.004 0.000 0.243 288 I C 2.287 178.505 176.117 0.168 0.000 1.085 288 I CA 1.885 63.313 61.300 0.213 0.000 1.347 288 I CB -0.699 37.475 38.000 0.290 0.000 1.044 288 I HN 0.169 nan 8.210 nan 0.000 0.408 289 T N 0.035 114.730 114.554 0.235 0.000 3.163 289 T HA 0.003 4.351 4.350 -0.004 0.000 0.260 289 T C 1.707 176.464 174.700 0.096 0.000 1.156 289 T CA 0.852 63.060 62.100 0.180 0.000 1.072 289 T CB -0.642 68.377 68.868 0.251 0.000 0.937 289 T HN 0.557 nan 8.240 nan 0.000 0.528 290 G N 1.430 110.283 108.800 0.089 0.000 2.408 290 G HA2 -0.082 3.876 3.960 -0.004 0.000 0.213 290 G HA3 -0.082 3.876 3.960 -0.004 0.000 0.213 290 G C 1.708 176.655 174.900 0.079 0.000 1.177 290 G CA 0.781 45.910 45.100 0.048 0.000 0.802 290 G HN 0.538 nan 8.290 nan 0.000 0.533 291 V N -1.033 118.945 119.914 0.106 0.000 3.041 291 V HA 0.339 4.457 4.120 -0.004 0.000 0.260 291 V C 2.709 178.839 176.094 0.060 0.000 1.105 291 V CA 1.379 63.763 62.300 0.139 0.000 1.125 291 V CB -0.478 31.439 31.823 0.157 0.000 0.730 291 V HN 0.350 nan 8.190 nan 0.000 0.479 292 A N 0.752 123.592 122.820 0.034 0.000 2.139 292 A HA -0.045 4.273 4.320 -0.004 0.000 0.221 292 A C 2.141 179.695 177.584 -0.050 0.000 1.159 292 A CA 2.850 54.870 52.037 -0.029 0.000 0.662 292 A CB -0.547 18.455 19.000 0.003 0.000 0.796 292 A HN 1.376 nan 8.150 nan 0.000 0.463 293 V N -6.568 113.349 119.914 0.005 0.000 3.245 293 V HA 0.229 4.347 4.120 -0.004 0.000 0.246 293 V C 1.756 177.880 176.094 0.050 0.000 1.487 293 V CA 0.472 62.770 62.300 -0.004 0.000 1.154 293 V CB -1.063 30.765 31.823 0.008 0.000 0.971 293 V HN 0.213 nan 8.190 nan 0.000 0.443 294 F N 2.266 122.189 119.950 -0.044 0.000 2.214 294 F HA -0.135 4.390 4.527 -0.004 0.000 0.302 294 F C 1.424 177.202 175.800 -0.037 0.000 1.063 294 F CA 2.235 60.223 58.000 -0.019 0.000 1.319 294 F CB -0.145 38.850 39.000 -0.009 0.000 1.046 294 F HN 0.195 nan 8.300 nan 0.000 0.505 295 L N -2.231 118.873 121.223 -0.199 0.000 2.590 295 L HA 0.299 4.637 4.340 -0.004 0.000 0.181 295 L C 2.772 179.440 176.870 -0.336 0.000 1.134 295 L CA 0.590 55.154 54.840 -0.460 0.000 0.850 295 L CB -1.707 40.032 42.059 -0.534 0.000 1.172 295 L HN -0.008 nan 8.230 nan 0.000 0.498 296 G N 1.588 110.224 108.800 -0.273 0.000 2.805 296 G HA2 -0.360 3.598 3.960 -0.004 0.000 0.227 296 G HA3 -0.360 3.598 3.960 -0.004 0.000 0.227 296 G C 1.506 176.360 174.900 -0.078 0.000 1.143 296 G CA 2.648 47.615 45.100 -0.221 0.000 0.759 296 G HN 0.342 nan 8.290 nan 0.000 0.634 297 V N -2.577 117.329 119.914 -0.014 0.000 2.599 297 V HA 0.095 4.213 4.120 -0.004 0.000 0.245 297 V C 2.572 178.795 176.094 0.215 0.000 1.046 297 V CA 1.891 64.250 62.300 0.099 0.000 1.065 297 V CB -0.436 31.421 31.823 0.056 0.000 0.703 297 V HN 0.388 nan 8.190 nan 0.000 0.464 298 S N 0.630 116.405 115.700 0.125 0.000 2.381 298 S HA -0.272 4.195 4.470 -0.004 0.000 0.230 298 S C 1.793 176.660 174.600 0.445 0.000 1.052 298 S CA 2.669 60.980 58.200 0.184 0.000 1.068 298 S CB -0.732 62.472 63.200 0.008 0.000 0.918 298 S HN 0.734 nan 8.310 nan 0.000 0.448 299 F N -0.615 119.426 119.950 0.152 0.000 2.335 299 F HA 0.096 4.621 4.527 -0.004 0.000 0.296 299 F C 2.028 178.003 175.800 0.291 0.000 1.091 299 F CA 0.371 58.515 58.000 0.241 0.000 1.399 299 F CB -0.307 38.977 39.000 0.474 0.000 1.067 299 F HN 0.253 nan 8.300 nan 0.000 0.520 300 F N 0.985 121.172 119.950 0.394 0.000 2.161 300 F HA -0.254 4.271 4.527 -0.004 0.000 0.300 300 F C 1.882 177.792 175.800 0.184 0.000 1.089 300 F CA 1.112 59.267 58.000 0.259 0.000 1.282 300 F CB -0.218 38.865 39.000 0.139 0.000 1.010 300 F HN -0.181 nan 8.300 nan 0.000 0.485 301 I N 0.102 120.820 120.570 0.246 0.000 3.158 301 I HA -0.124 4.043 4.170 -0.004 0.000 0.224 301 I C 1.383 177.541 176.117 0.069 0.000 1.041 301 I CA 0.418 61.792 61.300 0.122 0.000 1.433 301 I CB -1.339 36.752 38.000 0.153 0.000 1.288 301 I HN -0.168 nan 8.210 nan 0.000 0.424 302 L N 1.958 123.225 121.223 0.074 0.000 5.676 302 L HA -0.155 4.182 4.340 -0.004 0.000 0.254 302 L C 1.063 177.879 176.870 -0.089 0.000 1.638 302 L CA 0.657 55.495 54.840 -0.003 0.000 0.869 302 L CB -1.109 40.944 42.059 -0.011 0.000 1.429 302 L HN 0.599 nan 8.230 nan 0.000 0.394 303 S N -0.884 114.788 115.700 -0.046 0.000 6.757 303 S HA -0.124 4.343 4.470 -0.004 0.000 0.075 303 S C 0.833 175.467 174.600 0.058 0.000 1.317 303 S CA -0.210 57.956 58.200 -0.056 0.000 1.266 303 S CB -0.566 62.509 63.200 -0.207 0.000 1.612 303 S HN 0.223 nan 8.310 nan 0.000 0.531 304 L N 3.853 125.071 121.223 -0.008 0.000 2.814 304 L HA 0.283 4.620 4.340 -0.004 0.000 0.248 304 L C 0.048 176.965 176.870 0.078 0.000 1.169 304 L CA 0.864 55.723 54.840 0.031 0.000 0.872 304 L CB -1.569 40.366 42.059 -0.208 0.000 1.029 304 L HN 0.539 nan 8.230 nan 0.000 0.452 305 I N 2.120 122.722 120.570 0.054 0.000 3.188 305 I HA -0.181 3.986 4.170 -0.004 0.000 0.309 305 I C 1.481 177.593 176.117 -0.007 0.000 1.161 305 I CA 0.200 61.512 61.300 0.019 0.000 1.904 305 I CB -1.327 36.673 38.000 -0.000 0.000 1.609 305 I HN 0.357 nan 8.210 nan 0.000 0.907 306 L N 4.740 125.941 121.223 -0.037 0.000 4.356 306 L HA -0.273 4.065 4.340 -0.004 0.000 0.506 306 L C 1.645 178.459 176.870 -0.094 0.000 1.022 306 L CA 0.873 55.643 54.840 -0.117 0.000 0.782 306 L CB -0.870 41.084 42.059 -0.174 0.000 1.782 306 L HN 0.685 nan 8.230 nan 0.000 0.853 307 E N -2.464 117.700 120.200 -0.059 0.000 2.539 307 E HA 0.118 4.465 4.350 -0.004 0.000 0.215 307 E C -0.153 176.272 176.600 -0.291 0.000 0.965 307 E CA -0.205 56.087 56.400 -0.180 0.000 1.019 307 E CB 0.468 30.034 29.700 -0.224 0.000 1.059 307 E HN 0.445 nan 8.360 nan 0.000 0.496 308 Y N 1.543 121.816 120.300 -0.044 0.000 2.545 308 Y HA 0.264 4.812 4.550 -0.004 0.000 0.348 308 Y C 0.480 176.391 175.900 0.019 0.000 1.002 308 Y CA -1.039 57.062 58.100 0.001 0.000 1.039 308 Y CB 1.930 40.404 38.460 0.024 0.000 1.271 308 Y HN -0.101 nan 8.280 nan 0.000 0.467 309 T N -2.693 111.998 114.554 0.229 0.000 2.868 309 T HA 0.023 4.371 4.350 -0.004 0.000 0.292 309 T C 1.043 175.937 174.700 0.323 0.000 1.028 309 T CA -0.478 61.721 62.100 0.164 0.000 1.059 309 T CB 0.658 69.607 68.868 0.136 0.000 0.991 309 T HN 0.838 nan 8.240 nan 0.000 0.531 310 W N 0.122 121.461 121.300 0.065 0.000 2.311 310 W HA -0.166 4.492 4.660 -0.004 0.000 0.326 310 W C 2.389 178.975 176.519 0.111 0.000 1.239 310 W CA -0.076 57.314 57.345 0.075 0.000 1.258 310 W CB -0.201 29.300 29.460 0.069 0.000 1.165 310 W HN 0.493 nan 8.180 nan 0.000 0.466 311 L N 1.272 122.708 121.223 0.355 0.000 2.270 311 L HA -0.238 4.100 4.340 -0.004 0.000 0.217 311 L C 1.875 178.876 176.870 0.218 0.000 1.107 311 L CA 1.940 56.913 54.840 0.222 0.000 0.772 311 L CB -0.909 41.244 42.059 0.157 0.000 0.902 311 L HN 0.207 nan 8.230 nan 0.000 0.439 312 E N -0.615 119.737 120.200 0.254 0.000 2.008 312 E HA -0.146 4.201 4.350 -0.004 0.000 0.191 312 E C 2.157 178.904 176.600 0.244 0.000 0.986 312 E CA 0.999 57.545 56.400 0.244 0.000 0.807 312 E CB -0.105 29.766 29.700 0.285 0.000 0.766 312 E HN 0.527 nan 8.360 nan 0.000 0.450 313 A N 1.620 124.587 122.820 0.246 0.000 1.881 313 A HA -0.277 4.041 4.320 -0.004 0.000 0.219 313 A C 2.601 180.461 177.584 0.460 0.000 1.215 313 A CA 2.918 55.133 52.037 0.296 0.000 0.648 313 A CB -1.550 17.532 19.000 0.136 0.000 0.832 313 A HN 0.271 nan 8.150 nan 0.000 0.455 314 V N -1.731 118.415 119.914 0.385 0.000 2.324 314 V HA -0.251 3.867 4.120 -0.004 0.000 0.250 314 V C 2.178 178.357 176.094 0.142 0.000 1.060 314 V CA 2.094 64.538 62.300 0.239 0.000 1.042 314 V CB -1.024 30.886 31.823 0.144 0.000 0.650 314 V HN 0.470 nan 8.190 nan 0.000 0.450 315 I N -0.235 120.432 120.570 0.161 0.000 2.454 315 I HA -0.131 4.036 4.170 -0.004 0.000 0.254 315 I C 2.392 178.584 176.117 0.124 0.000 1.156 315 I CA 1.932 63.300 61.300 0.112 0.000 1.433 315 I CB -1.229 36.845 38.000 0.123 0.000 1.082 315 I HN 0.530 nan 8.210 nan 0.000 0.432 316 F N 0.824 120.803 119.950 0.048 0.000 2.416 316 F HA -0.062 4.463 4.527 -0.004 0.000 0.296 316 F C 2.140 177.957 175.800 0.027 0.000 1.099 316 F CA 0.911 58.941 58.000 0.049 0.000 1.427 316 F CB -0.077 38.951 39.000 0.046 0.000 1.079 316 F HN -0.123 nan 8.300 nan 0.000 0.536 317 L N 1.422 122.577 121.223 -0.113 0.000 1.988 317 L HA -0.101 4.237 4.340 -0.004 0.000 0.207 317 L C 2.408 179.072 176.870 -0.343 0.000 1.071 317 L CA 2.233 56.917 54.840 -0.260 0.000 0.744 317 L CB -1.299 40.684 42.059 -0.127 0.000 0.893 317 L HN 0.389 nan 8.230 nan 0.000 0.433 318 I N -1.285 119.151 120.570 -0.224 0.000 2.953 318 I HA -0.031 4.137 4.170 -0.004 0.000 0.271 318 I C 1.901 177.829 176.117 -0.315 0.000 1.286 318 I CA 1.361 62.528 61.300 -0.223 0.000 1.449 318 I CB -0.942 36.982 38.000 -0.126 0.000 1.086 318 I HN 0.151 nan 8.210 nan 0.000 0.483 319 G N 1.104 109.640 108.800 -0.439 0.000 2.557 319 G HA2 -0.067 3.890 3.960 -0.004 0.000 0.213 319 G HA3 -0.067 3.890 3.960 -0.004 0.000 0.213 319 G C 1.551 175.877 174.900 -0.957 0.000 1.221 319 G CA 0.534 45.191 45.100 -0.738 0.000 0.832 319 G HN 0.493 nan 8.290 nan 0.000 0.556 320 I N 0.675 120.658 120.570 -0.980 0.000 2.300 320 I HA -0.209 3.959 4.170 -0.004 0.000 0.252 320 I C 2.358 178.141 176.117 -0.556 0.000 1.119 320 I CA 0.921 61.749 61.300 -0.787 0.000 1.384 320 I CB -0.005 37.564 38.000 -0.718 0.000 1.062 320 I HN 0.046 nan 8.210 nan 0.000 0.426 321 I N 0.383 120.667 120.570 -0.477 0.000 2.058 321 I HA -0.263 3.905 4.170 -0.004 0.000 0.235 321 I C 2.635 178.548 176.117 -0.340 0.000 1.053 321 I CA 1.507 62.604 61.300 -0.340 0.000 1.313 321 I CB -1.471 36.364 38.000 -0.275 0.000 1.039 321 I HN 0.114 nan 8.210 nan 0.000 0.396 322 V N 1.415 121.111 119.914 -0.363 0.000 2.324 322 V HA -0.222 3.895 4.120 -0.004 0.000 0.250 322 V C 1.810 177.679 176.094 -0.375 0.000 1.060 322 V CA 1.663 63.764 62.300 -0.332 0.000 1.042 322 V CB -1.149 30.478 31.823 -0.327 0.000 0.650 322 V HN 0.523 nan 8.190 nan 0.000 0.450 323 A N -0.227 122.290 122.820 -0.504 0.000 3.074 323 A HA 0.284 4.601 4.320 -0.004 0.000 0.251 323 A C 1.176 178.532 177.584 -0.380 0.000 1.695 323 A CA 0.378 52.131 52.037 -0.474 0.000 1.343 323 A CB -0.612 17.997 19.000 -0.653 0.000 1.078 323 A HN 0.511 nan 8.150 nan 0.000 0.644 324 N N -1.129 117.381 118.700 -0.316 0.000 2.425 324 N HA -0.066 4.671 4.740 -0.004 0.000 0.317 324 N C -0.009 175.319 175.510 -0.304 0.000 0.662 324 N CA 1.051 53.941 53.050 -0.266 0.000 0.791 324 N CB 0.424 38.754 38.487 -0.261 0.000 2.252 324 N HN 0.457 nan 8.380 nan 0.000 1.331 325 V N 2.712 122.412 119.914 -0.356 0.000 2.397 325 V HA 0.462 4.580 4.120 -0.004 0.000 0.262 325 V C -2.274 173.577 176.094 -0.407 0.000 1.047 325 V CA -1.341 60.634 62.300 -0.542 0.000 1.003 325 V CB 0.528 32.152 31.823 -0.332 0.000 1.037 325 V HN 0.098 nan 8.190 nan 0.000 0.480 326 P HA 0.090 nan 4.420 nan 0.000 0.252 326 P C 0.634 177.887 177.300 -0.079 0.000 1.635 326 P CA 0.190 63.179 63.100 -0.184 0.000 1.206 326 P CB 0.520 32.159 31.700 -0.100 0.000 1.911 327 E N 2.023 122.166 120.200 -0.095 0.000 2.172 327 E HA -0.190 4.158 4.350 -0.004 0.000 0.213 327 E C 1.525 178.115 176.600 -0.017 0.000 1.051 327 E CA 2.020 58.390 56.400 -0.050 0.000 0.860 327 E CB -0.779 28.869 29.700 -0.087 0.000 0.755 327 E HN 0.511 nan 8.360 nan 0.000 0.462 328 G N -0.186 108.606 108.800 -0.014 0.000 2.607 328 G HA2 0.458 4.416 3.960 -0.004 0.000 0.332 328 G HA3 0.458 4.416 3.960 -0.004 0.000 0.332 328 G C 0.099 175.038 174.900 0.065 0.000 1.046 328 G CA -0.362 44.746 45.100 0.013 0.000 1.099 328 G HN 0.132 nan 8.290 nan 0.000 0.451 329 L N 2.138 123.422 121.223 0.103 0.000 1.465 329 L HA 0.154 4.492 4.340 -0.004 0.000 0.144 329 L C 1.514 178.495 176.870 0.186 0.000 1.333 329 L CA 0.389 55.320 54.840 0.152 0.000 1.203 329 L CB -0.755 41.420 42.059 0.193 0.000 2.504 329 L HN 0.445 nan 8.230 nan 0.000 0.485 330 L N 1.782 123.131 121.223 0.209 0.000 2.056 330 L HA 0.012 4.350 4.340 -0.004 0.000 0.207 330 L C 2.693 179.675 176.870 0.187 0.000 1.078 330 L CA 1.516 56.462 54.840 0.176 0.000 0.749 330 L CB -0.757 41.364 42.059 0.104 0.000 0.901 330 L HN 0.414 nan 8.230 nan 0.000 0.433 331 A N -0.604 122.313 122.820 0.162 0.000 2.178 331 A HA -0.124 4.194 4.320 -0.004 0.000 0.218 331 A C 2.244 180.044 177.584 0.360 0.000 1.157 331 A CA 1.926 54.119 52.037 0.259 0.000 0.689 331 A CB -0.667 18.195 19.000 -0.231 0.000 0.787 331 A HN 0.428 nan 8.150 nan 0.000 0.465 332 T N -0.923 113.755 114.554 0.208 0.000 2.925 332 T HA -0.020 4.328 4.350 -0.004 0.000 0.245 332 T C 1.903 176.682 174.700 0.131 0.000 1.025 332 T CA 1.192 63.388 62.100 0.161 0.000 1.149 332 T CB -0.387 68.550 68.868 0.115 0.000 0.866 332 T HN 0.160 nan 8.240 nan 0.000 0.437 333 V N 1.939 121.928 119.914 0.126 0.000 2.332 333 V HA -0.215 3.902 4.120 -0.004 0.000 0.248 333 V C 2.774 178.920 176.094 0.087 0.000 1.055 333 V CA 1.986 64.339 62.300 0.089 0.000 1.038 333 V CB -1.508 30.375 31.823 0.101 0.000 0.651 333 V HN 0.483 nan 8.190 nan 0.000 0.450 334 T N 0.351 114.988 114.554 0.137 0.000 2.624 334 T HA -0.237 4.111 4.350 -0.004 0.000 0.268 334 T C 1.940 176.685 174.700 0.075 0.000 1.041 334 T CA 2.143 64.319 62.100 0.126 0.000 1.159 334 T CB -0.336 68.663 68.868 0.218 0.000 0.863 334 T HN 0.295 nan 8.240 nan 0.000 0.434 335 V N 0.682 120.647 119.914 0.084 0.000 2.295 335 V HA -0.213 3.904 4.120 -0.004 0.000 0.246 335 V C 2.824 178.913 176.094 -0.007 0.000 1.049 335 V CA 1.628 63.945 62.300 0.028 0.000 1.024 335 V CB -0.810 31.052 31.823 0.065 0.000 0.648 335 V HN 0.641 nan 8.190 nan 0.000 0.447 336 C N -0.413 118.885 119.300 -0.004 0.000 2.403 336 C HA -0.143 4.314 4.460 -0.004 0.000 0.279 336 C C 2.496 177.453 174.990 -0.055 0.000 1.269 336 C CA 0.522 59.509 59.018 -0.052 0.000 1.774 336 C CB -1.215 26.505 27.740 -0.033 0.000 1.993 336 C HN 0.430 nan 8.230 nan 0.000 0.496 337 L N 0.396 121.607 121.223 -0.019 0.000 2.013 337 L HA -0.052 4.286 4.340 -0.004 0.000 0.204 337 L C 2.665 179.518 176.870 -0.028 0.000 1.081 337 L CA 2.043 56.868 54.840 -0.024 0.000 0.751 337 L CB -2.158 39.894 42.059 -0.012 0.000 0.901 337 L HN 0.178 nan 8.230 nan 0.000 0.440 338 T N 0.724 115.284 114.554 0.010 0.000 2.736 338 T HA -0.275 4.073 4.350 -0.004 0.000 0.265 338 T C 2.025 176.716 174.700 -0.015 0.000 1.031 338 T CA 1.628 63.752 62.100 0.040 0.000 1.155 338 T CB -0.362 68.549 68.868 0.070 0.000 0.849 338 T HN 0.150 nan 8.240 nan 0.000 0.471 339 L N 0.270 121.454 121.223 -0.065 0.000 2.022 339 L HA -0.045 4.292 4.340 -0.004 0.000 0.204 339 L C 2.754 179.558 176.870 -0.109 0.000 1.076 339 L CA 1.371 56.141 54.840 -0.118 0.000 0.749 339 L CB -1.018 40.886 42.059 -0.258 0.000 0.903 339 L HN 0.215 nan 8.230 nan 0.000 0.439 340 T N 0.084 114.569 114.554 -0.116 0.000 3.118 340 T HA -0.076 4.272 4.350 -0.004 0.000 0.269 340 T C 1.463 176.126 174.700 -0.062 0.000 1.166 340 T CA 0.861 62.907 62.100 -0.089 0.000 1.073 340 T CB -0.129 68.691 68.868 -0.080 0.000 0.884 340 T HN 0.434 nan 8.240 nan 0.000 0.550 341 A N 1.861 124.649 122.820 -0.053 0.000 1.941 341 A HA 0.150 4.467 4.320 -0.004 0.000 0.214 341 A C 1.907 179.471 177.584 -0.032 0.000 1.368 341 A CA 0.079 52.090 52.037 -0.043 0.000 0.651 341 A CB -0.023 18.953 19.000 -0.040 0.000 1.064 341 A HN 0.147 nan 8.150 nan 0.000 0.492 342 K N 0.409 120.796 120.400 -0.021 0.000 2.664 342 K HA -0.048 4.270 4.320 -0.004 0.000 0.193 342 K C 1.369 177.964 176.600 -0.010 0.000 1.028 342 K CA 0.636 56.917 56.287 -0.009 0.000 1.005 342 K CB -0.210 32.291 32.500 0.002 0.000 0.815 342 K HN 0.570 nan 8.250 nan 0.000 0.496 343 R N -0.435 120.052 120.500 -0.022 0.000 2.225 343 R HA 0.233 4.570 4.340 -0.004 0.000 0.194 343 R C 1.894 178.183 176.300 -0.019 0.000 0.949 343 R CA 0.010 56.101 56.100 -0.016 0.000 1.088 343 R CB 0.276 30.557 30.300 -0.030 0.000 1.106 343 R HN 0.038 nan 8.270 nan 0.000 0.566 344 M N 0.062 119.644 119.600 -0.029 0.000 2.334 344 M HA 0.108 4.586 4.480 -0.004 0.000 0.266 344 M C 2.215 178.499 176.300 -0.027 0.000 1.082 344 M CA 1.196 56.477 55.300 -0.032 0.000 1.141 344 M CB 0.116 32.691 32.600 -0.041 0.000 1.380 344 M HN 0.202 nan 8.290 nan 0.000 0.440 345 A N 0.682 123.488 122.820 -0.024 0.000 2.070 345 A HA -0.135 4.183 4.320 -0.004 0.000 0.220 345 A C 2.087 179.662 177.584 -0.015 0.000 1.159 345 A CA 1.327 53.352 52.037 -0.021 0.000 0.656 345 A CB -0.602 18.387 19.000 -0.018 0.000 0.800 345 A HN 0.441 nan 8.150 nan 0.000 0.453 346 R N -0.900 119.592 120.500 -0.012 0.000 2.235 346 R HA 0.003 4.341 4.340 -0.004 0.000 0.213 346 R C 1.502 177.796 176.300 -0.012 0.000 1.059 346 R CA 1.222 57.316 56.100 -0.009 0.000 0.997 346 R CB -0.077 30.221 30.300 -0.004 0.000 0.884 346 R HN 0.413 nan 8.270 nan 0.000 0.462 347 K N 0.345 120.735 120.400 -0.016 0.000 2.514 347 K HA 0.041 4.358 4.320 -0.004 0.000 0.207 347 K C -0.353 176.235 176.600 -0.020 0.000 1.035 347 K CA -0.041 56.235 56.287 -0.018 0.000 1.113 347 K CB 0.148 32.635 32.500 -0.022 0.000 0.846 347 K HN 0.070 nan 8.250 nan 0.000 0.491 348 N N -0.032 118.657 118.700 -0.019 0.000 1.517 348 N HA -0.278 4.459 4.740 -0.004 0.000 0.179 348 N C 0.193 175.688 175.510 -0.024 0.000 0.833 348 N CA 1.620 54.658 53.050 -0.019 0.000 1.150 348 N CB -1.541 36.937 38.487 -0.015 0.000 1.449 348 N HN 0.532 nan 8.380 nan 0.000 0.448 349 C N 1.015 120.300 119.300 -0.025 0.000 3.467 349 C HA -0.124 4.334 4.460 -0.004 0.000 0.268 349 C C 1.249 176.218 174.990 -0.035 0.000 1.451 349 C CA 0.439 59.438 59.018 -0.031 0.000 2.039 349 C CB -2.817 24.897 27.740 -0.042 0.000 1.342 349 C HN 0.638 nan 8.230 nan 0.000 0.574 350 L N 0.396 121.601 121.223 -0.031 0.000 2.586 350 L HA 0.343 4.680 4.340 -0.004 0.000 0.307 350 L C 0.330 177.174 176.870 -0.043 0.000 1.274 350 L CA 0.711 55.531 54.840 -0.034 0.000 0.857 350 L CB 0.448 42.488 42.059 -0.031 0.000 1.099 350 L HN 0.450 nan 8.230 nan 0.000 0.525 351 V N 4.900 124.784 119.914 -0.051 0.000 2.540 351 V HA 0.319 4.437 4.120 -0.004 0.000 0.302 351 V C 0.397 176.445 176.094 -0.077 0.000 1.035 351 V CA -0.628 61.633 62.300 -0.064 0.000 0.873 351 V CB 1.660 33.441 31.823 -0.070 0.000 0.992 351 V HN 0.894 nan 8.190 nan 0.000 0.428 352 K N 2.240 122.590 120.400 -0.084 0.000 2.348 352 K HA 0.294 4.612 4.320 -0.004 0.000 0.194 352 K C 0.040 176.560 176.600 -0.132 0.000 1.052 352 K CA 0.288 56.516 56.287 -0.098 0.000 1.004 352 K CB 0.446 32.898 32.500 -0.080 0.000 0.873 352 K HN 0.631 nan 8.250 nan 0.000 0.523 353 N N 1.088 119.713 118.700 -0.127 0.000 2.461 353 N HA 0.148 4.886 4.740 -0.004 0.000 0.284 353 N C -0.094 175.332 175.510 -0.140 0.000 1.049 353 N CA -0.374 52.589 53.050 -0.145 0.000 0.889 353 N CB 1.768 40.187 38.487 -0.114 0.000 1.365 353 N HN -0.212 nan 8.380 nan 0.000 0.499 354 L N 2.440 123.556 121.223 -0.178 0.000 1.934 354 L HA -0.297 4.041 4.340 -0.004 0.000 0.227 354 L C 2.684 179.496 176.870 -0.096 0.000 1.084 354 L CA 1.749 56.505 54.840 -0.141 0.000 0.790 354 L CB -0.684 41.277 42.059 -0.163 0.000 0.896 354 L HN 0.665 nan 8.230 nan 0.000 0.437 355 E N 0.561 120.709 120.200 -0.087 0.000 2.315 355 E HA -0.393 3.954 4.350 -0.004 0.000 0.215 355 E C 1.990 178.554 176.600 -0.059 0.000 1.069 355 E CA 1.920 58.284 56.400 -0.060 0.000 0.859 355 E CB -1.124 28.541 29.700 -0.059 0.000 0.743 355 E HN 0.532 nan 8.360 nan 0.000 0.469 356 A N 1.851 124.628 122.820 -0.071 0.000 1.903 356 A HA -0.201 4.116 4.320 -0.004 0.000 0.219 356 A C 2.742 180.287 177.584 -0.065 0.000 1.191 356 A CA 2.584 54.580 52.037 -0.068 0.000 0.638 356 A CB -1.019 17.938 19.000 -0.072 0.000 0.823 356 A HN 0.207 nan 8.150 nan 0.000 0.451 357 V N 0.058 119.934 119.914 -0.063 0.000 2.277 357 V HA -0.328 3.790 4.120 -0.004 0.000 0.253 357 V C 1.943 178.005 176.094 -0.053 0.000 1.067 357 V CA 2.434 64.700 62.300 -0.058 0.000 1.047 357 V CB -0.953 30.838 31.823 -0.054 0.000 0.649 357 V HN 0.698 nan 8.190 nan 0.000 0.447 358 E N -0.395 119.781 120.200 -0.041 0.000 2.437 358 E HA 0.016 4.363 4.350 -0.004 0.000 0.189 358 E C 1.831 178.387 176.600 -0.072 0.000 1.054 358 E CA 0.681 57.062 56.400 -0.031 0.000 0.874 358 E CB 0.127 29.847 29.700 0.033 0.000 1.011 358 E HN 0.893 nan 8.360 nan 0.000 0.474 359 T N -1.727 112.779 114.554 -0.080 0.000 3.042 359 T HA 0.001 4.349 4.350 -0.004 0.000 0.245 359 T C 1.743 176.380 174.700 -0.105 0.000 1.029 359 T CA -0.240 61.802 62.100 -0.097 0.000 1.120 359 T CB -0.084 68.738 68.868 -0.077 0.000 0.917 359 T HN 0.052 nan 8.240 nan 0.000 0.467 360 L N 2.291 123.459 121.223 -0.091 0.000 2.261 360 L HA 0.280 4.617 4.340 -0.004 0.000 0.216 360 L C 2.331 179.138 176.870 -0.105 0.000 1.114 360 L CA 1.670 56.455 54.840 -0.092 0.000 0.777 360 L CB -0.893 41.114 42.059 -0.085 0.000 0.910 360 L HN 0.485 nan 8.230 nan 0.000 0.440 361 G N -2.627 106.102 108.800 -0.119 0.000 2.492 361 G HA2 -0.110 3.848 3.960 -0.004 0.000 0.214 361 G HA3 -0.110 3.848 3.960 -0.004 0.000 0.214 361 G C 1.445 176.229 174.900 -0.194 0.000 1.147 361 G CA 0.545 45.562 45.100 -0.139 0.000 0.809 361 G HN 0.416 nan 8.290 nan 0.000 0.533 362 S N 0.907 116.467 115.700 -0.233 0.000 2.561 362 S HA 0.046 4.513 4.470 -0.004 0.000 0.225 362 S C 1.093 175.585 174.600 -0.180 0.000 0.977 362 S CA 0.131 58.163 58.200 -0.280 0.000 0.926 362 S CB -0.121 62.895 63.200 -0.306 0.000 0.769 362 S HN 0.325 nan 8.310 nan 0.000 0.533 363 T N 2.873 117.344 114.554 -0.138 0.000 2.891 363 T HA 0.054 4.402 4.350 -0.004 0.000 0.296 363 T C 1.325 175.973 174.700 -0.087 0.000 1.025 363 T CA 0.519 62.559 62.100 -0.100 0.000 1.149 363 T CB 0.667 69.483 68.868 -0.087 0.000 1.007 363 T HN 0.462 nan 8.240 nan 0.000 0.528 364 S N 1.110 116.769 115.700 -0.067 0.000 2.564 364 S HA 0.213 4.681 4.470 -0.004 0.000 0.231 364 S C 0.652 175.234 174.600 -0.031 0.000 1.067 364 S CA -0.340 57.829 58.200 -0.052 0.000 0.908 364 S CB 0.536 63.706 63.200 -0.050 0.000 0.809 364 S HN 0.589 nan 8.310 nan 0.000 0.491 365 T N 2.018 116.557 114.554 -0.025 0.000 2.933 365 T HA 0.640 4.988 4.350 -0.004 0.000 0.305 365 T C -1.197 173.501 174.700 -0.003 0.000 1.092 365 T CA -0.520 61.577 62.100 -0.006 0.000 1.008 365 T CB 1.786 70.657 68.868 0.005 0.000 1.102 365 T HN 0.215 nan 8.240 nan 0.000 0.469 366 I N 1.407 121.987 120.570 0.016 0.000 2.474 366 I HA 0.503 4.671 4.170 -0.004 0.000 0.294 366 I C -0.526 175.617 176.117 0.044 0.000 1.005 366 I CA -0.735 60.584 61.300 0.032 0.000 1.113 366 I CB 1.670 39.705 38.000 0.058 0.000 1.289 366 I HN 0.523 nan 8.210 nan 0.000 0.436 367 C N 3.920 123.240 119.300 0.033 0.000 2.345 367 C HA 0.617 5.075 4.460 -0.004 0.000 0.323 367 C C 0.287 175.292 174.990 0.025 0.000 1.276 367 C CA -0.405 58.623 59.018 0.017 0.000 1.543 367 C CB 1.078 28.804 27.740 -0.022 0.000 2.211 367 C HN 0.793 nan 8.230 nan 0.000 0.493 368 S N 2.056 117.765 115.700 0.014 0.000 2.526 368 S HA 0.461 4.928 4.470 -0.004 0.000 0.293 368 S C -1.159 173.409 174.600 -0.053 0.000 1.092 368 S CA -0.352 57.839 58.200 -0.015 0.000 0.980 368 S CB 1.258 64.433 63.200 -0.040 0.000 1.048 368 S HN 0.813 nan 8.310 nan 0.000 0.483 369 D N 3.185 123.542 120.400 -0.070 0.000 2.325 369 D HA 0.191 4.829 4.640 -0.004 0.000 0.251 369 D C 0.930 177.167 176.300 -0.106 0.000 1.196 369 D CA -0.084 53.870 54.000 -0.078 0.000 0.866 369 D CB 1.280 42.038 40.800 -0.070 0.000 1.101 369 D HN 0.681 nan 8.370 nan 0.000 0.476 370 K N 2.456 122.801 120.400 -0.091 0.000 1.965 370 K HA -0.095 4.223 4.320 -0.004 0.000 0.218 370 K C 0.247 176.784 176.600 -0.104 0.000 1.048 370 K CA 0.911 57.138 56.287 -0.100 0.000 0.960 370 K CB -0.329 32.130 32.500 -0.070 0.000 0.732 370 K HN 0.403 nan 8.250 nan 0.000 0.444 371 T N 0.293 114.799 114.554 -0.079 0.000 2.829 371 T HA 0.220 4.568 4.350 -0.004 0.000 0.293 371 T C 0.715 175.372 174.700 -0.072 0.000 0.970 371 T CA 0.657 62.716 62.100 -0.068 0.000 1.168 371 T CB 0.690 69.525 68.868 -0.054 0.000 0.911 371 T HN 0.676 nan 8.240 nan 0.000 0.535 372 G N 3.522 112.280 108.800 -0.070 0.000 2.284 372 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.230 372 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.230 372 G C 1.002 175.853 174.900 -0.081 0.000 1.021 372 G CA 0.496 45.558 45.100 -0.064 0.000 0.619 372 G HN 0.682 nan 8.290 nan 0.000 0.510 373 T N 0.888 115.368 114.554 -0.122 0.000 3.395 373 T HA 0.372 4.720 4.350 -0.004 0.000 0.230 373 T C 2.393 176.906 174.700 -0.312 0.000 0.958 373 T CA 0.956 62.945 62.100 -0.185 0.000 1.377 373 T CB -0.325 68.422 68.868 -0.202 0.000 1.124 373 T HN 0.173 nan 8.240 nan 0.000 0.425 374 L N 1.482 122.482 121.223 -0.372 0.000 1.961 374 L HA 0.014 4.351 4.340 -0.004 0.000 0.210 374 L C 1.749 178.493 176.870 -0.210 0.000 1.072 374 L CA 1.083 55.683 54.840 -0.400 0.000 0.749 374 L CB -1.275 40.599 42.059 -0.308 0.000 0.889 374 L HN 0.444 nan 8.230 nan 0.000 0.432 375 T N -2.096 112.374 114.554 -0.139 0.000 2.868 375 T HA 0.070 4.417 4.350 -0.004 0.000 0.292 375 T C 0.723 175.382 174.700 -0.068 0.000 1.028 375 T CA -0.704 61.348 62.100 -0.081 0.000 1.059 375 T CB 1.192 70.026 68.868 -0.056 0.000 0.991 375 T HN 0.340 nan 8.240 nan 0.000 0.531 376 Q N 1.002 120.777 119.800 -0.042 0.000 2.472 376 Q HA -0.048 4.289 4.340 -0.004 0.000 0.208 376 Q C 0.468 176.453 176.000 -0.025 0.000 0.958 376 Q CA 0.114 55.900 55.803 -0.030 0.000 0.932 376 Q CB -0.319 28.410 28.738 -0.015 0.000 1.007 376 Q HN 0.832 nan 8.270 nan 0.000 0.508 377 N N 1.623 120.308 118.700 -0.026 0.000 2.610 377 N HA -0.166 4.572 4.740 -0.004 0.000 0.271 377 N C -1.441 174.061 175.510 -0.013 0.000 1.146 377 N CA 0.552 53.589 53.050 -0.021 0.000 0.711 377 N CB -0.262 38.208 38.487 -0.028 0.000 0.883 377 N HN 0.393 nan 8.380 nan 0.000 0.548 378 R N 2.945 123.442 120.500 -0.005 0.000 2.937 378 R HA 0.094 4.432 4.340 -0.004 0.000 0.273 378 R C -0.456 175.849 176.300 0.009 0.000 1.176 378 R CA -0.574 55.526 56.100 -0.001 0.000 1.132 378 R CB 0.398 30.698 30.300 -0.000 0.000 1.270 378 R HN 0.308 nan 8.270 nan 0.000 0.425 379 M N 3.141 122.748 119.600 0.012 0.000 2.327 379 M HA 0.113 4.590 4.480 -0.004 0.000 0.353 379 M C -0.336 175.984 176.300 0.034 0.000 1.539 379 M CA 1.037 56.353 55.300 0.026 0.000 1.039 379 M CB 0.245 32.862 32.600 0.028 0.000 1.967 379 M HN 0.449 nan 8.290 nan 0.000 0.459 380 T N 3.209 117.791 114.554 0.046 0.000 2.893 380 T HA 0.442 4.790 4.350 -0.004 0.000 0.293 380 T C -0.292 174.455 174.700 0.078 0.000 1.027 380 T CA -0.684 61.449 62.100 0.055 0.000 0.988 380 T CB 1.962 70.856 68.868 0.044 0.000 1.043 380 T HN 0.378 nan 8.240 nan 0.000 0.461 381 V N 3.066 123.034 119.914 0.090 0.000 2.458 381 V HA 0.218 4.336 4.120 -0.004 0.000 0.287 381 V C 1.353 177.516 176.094 0.116 0.000 1.009 381 V CA 0.379 62.747 62.300 0.113 0.000 1.091 381 V CB -0.108 31.787 31.823 0.121 0.000 0.960 381 V HN 1.166 nan 8.190 nan 0.000 0.476 382 A N 3.997 126.914 122.820 0.162 0.000 1.887 382 A HA 0.176 4.494 4.320 -0.004 0.000 0.212 382 A C 0.882 178.534 177.584 0.114 0.000 1.198 382 A CA 0.969 53.136 52.037 0.217 0.000 0.628 382 A CB -0.095 19.139 19.000 0.389 0.000 0.847 382 A HN 0.850 nan 8.150 nan 0.000 0.449 383 H N -3.498 115.638 119.070 0.109 0.000 2.959 383 H HA 0.812 5.365 4.556 -0.004 0.000 0.296 383 H C -0.916 174.491 175.328 0.132 0.000 1.421 383 H CA -0.631 55.498 56.048 0.135 0.000 1.206 383 H CB 1.155 30.990 29.762 0.123 0.000 1.891 383 H HN 0.240 nan 8.280 nan 0.000 0.573 384 M N 0.136 119.915 119.600 0.299 0.000 2.471 384 M HA 0.130 4.608 4.480 -0.004 0.000 0.284 384 M C -1.490 175.031 176.300 0.368 0.000 1.203 384 M CA -0.367 55.057 55.300 0.207 0.000 0.915 384 M CB 2.878 35.457 32.600 -0.036 0.000 1.734 384 M HN 0.619 nan 8.290 nan 0.000 0.485 385 W N 3.034 124.414 121.300 0.134 0.000 1.770 385 W HA 0.500 5.158 4.660 -0.003 0.000 0.299 385 W C -0.201 176.417 176.519 0.164 0.000 0.803 385 W CA -0.727 56.734 57.345 0.193 0.000 2.429 385 W CB 0.541 30.124 29.460 0.205 0.000 2.381 385 W HN 0.520 nan 8.180 nan 0.000 0.496 386 S N 0.787 116.421 115.700 -0.110 0.000 2.452 386 S HA 0.378 4.846 4.470 -0.004 0.000 0.284 386 S C -0.061 174.366 174.600 -0.289 0.000 1.171 386 S CA -0.180 57.859 58.200 -0.267 0.000 1.064 386 S CB 1.240 64.273 63.200 -0.277 0.000 0.967 386 S HN 0.313 nan 8.310 nan 0.000 0.484 387 D N 1.492 121.655 120.400 -0.394 0.000 2.956 387 D HA -0.175 4.462 4.640 -0.004 0.000 0.223 387 D C 0.363 176.453 176.300 -0.351 0.000 1.102 387 D CA 1.315 55.111 54.000 -0.340 0.000 0.797 387 D CB -2.095 38.528 40.800 -0.295 0.000 1.094 387 D HN 0.960 nan 8.370 nan 0.000 0.438 388 N N -0.634 117.631 118.700 -0.725 0.000 2.815 388 N HA -0.313 4.424 4.740 -0.004 0.000 0.247 388 N C -0.298 175.233 175.510 0.036 0.000 1.030 388 N CA 2.212 55.037 53.050 -0.374 0.000 0.881 388 N CB -0.399 38.071 38.487 -0.029 0.000 1.134 388 N HN 0.774 nan 8.380 nan 0.000 0.582 389 Q N -0.161 119.582 119.800 -0.096 0.000 2.394 389 Q HA 0.519 4.856 4.340 -0.004 0.000 0.273 389 Q C -0.408 175.744 176.000 0.253 0.000 1.089 389 Q CA -1.052 54.830 55.803 0.131 0.000 0.812 389 Q CB 0.970 29.719 28.738 0.019 0.000 1.353 389 Q HN 0.225 nan 8.270 nan 0.000 0.438 390 I N 2.108 122.821 120.570 0.239 0.000 2.764 390 I HA 0.293 4.461 4.170 -0.004 0.000 0.294 390 I C -0.218 175.867 176.117 -0.055 0.000 1.045 390 I CA 0.008 61.476 61.300 0.281 0.000 1.340 390 I CB 0.384 38.518 38.000 0.224 0.000 1.436 390 I HN 0.716 nan 8.210 nan 0.000 0.567 391 H N 1.121 120.308 119.070 0.196 0.000 2.961 391 H HA 0.477 5.031 4.556 -0.004 0.000 0.371 391 H C -0.764 174.577 175.328 0.021 0.000 1.190 391 H CA -0.835 55.277 56.048 0.107 0.000 1.138 391 H CB 1.880 31.669 29.762 0.046 0.000 1.816 391 H HN 0.555 nan 8.280 nan 0.000 0.551 392 E N 1.233 121.447 120.200 0.023 0.000 2.312 392 E HA 0.861 5.209 4.350 -0.004 0.000 0.267 392 E C -1.204 175.345 176.600 -0.086 0.000 0.894 392 E CA -1.538 54.680 56.400 -0.303 0.000 0.773 392 E CB 2.808 32.323 29.700 -0.307 0.000 1.241 392 E HN 0.558 nan 8.360 nan 0.000 0.432 393 A N 1.088 123.832 122.820 -0.126 0.000 2.437 393 A HA 0.308 4.625 4.320 -0.004 0.000 0.288 393 A C -0.651 176.878 177.584 -0.093 0.000 1.201 393 A CA -0.753 51.242 52.037 -0.070 0.000 0.795 393 A CB 1.298 20.331 19.000 0.056 0.000 1.359 393 A HN 0.805 nan 8.150 nan 0.000 0.435 394 D N 1.547 121.883 120.400 -0.107 0.000 2.606 394 D HA -0.016 4.621 4.640 -0.004 0.000 0.234 394 D C 1.252 177.530 176.300 -0.037 0.000 1.140 394 D CA 0.841 54.794 54.000 -0.078 0.000 1.182 394 D CB 0.017 40.762 40.800 -0.092 0.000 1.130 394 D HN 0.570 nan 8.370 nan 0.000 0.485 395 T N -0.440 114.098 114.554 -0.027 0.000 3.139 395 T HA -0.098 4.250 4.350 -0.004 0.000 0.267 395 T C 1.288 175.988 174.700 0.000 0.000 1.164 395 T CA 0.670 62.770 62.100 -0.001 0.000 1.075 395 T CB -0.316 68.559 68.868 0.012 0.000 0.904 395 T HN 0.372 nan 8.240 nan 0.000 0.540 396 T N 0.085 114.633 114.554 -0.010 0.000 2.914 396 T HA 0.316 4.664 4.350 -0.004 0.000 0.313 396 T C 0.099 174.797 174.700 -0.004 0.000 1.137 396 T CA -0.848 61.248 62.100 -0.007 0.000 0.946 396 T CB 0.620 69.481 68.868 -0.013 0.000 1.558 396 T HN 0.327 nan 8.240 nan 0.000 0.565 397 E N 1.626 121.824 120.200 -0.003 0.000 2.464 397 E HA 0.256 4.603 4.350 -0.004 0.000 0.260 397 E C -0.382 176.215 176.600 -0.004 0.000 1.318 397 E CA -0.508 55.892 56.400 -0.000 0.000 1.571 397 E CB -0.459 29.243 29.700 0.003 0.000 1.525 397 E HN 0.642 nan 8.360 nan 0.000 0.449 398 N N 2.902 121.596 118.700 -0.010 0.000 2.411 398 N HA -0.173 4.565 4.740 -0.004 0.000 0.286 398 N C -0.827 174.670 175.510 -0.022 0.000 1.382 398 N CA 0.687 53.726 53.050 -0.018 0.000 0.630 398 N CB -0.207 38.273 38.487 -0.012 0.000 0.904 398 N HN 0.387 nan 8.380 nan 0.000 0.516 399 Q N 0.370 120.151 119.800 -0.032 0.000 2.795 399 Q HA 0.380 4.718 4.340 -0.004 0.000 0.402 399 Q C 0.623 176.597 176.000 -0.044 0.000 0.682 399 Q CA -0.004 55.780 55.803 -0.031 0.000 0.909 399 Q CB -0.411 28.313 28.738 -0.023 0.000 1.569 399 Q HN 0.582 nan 8.270 nan 0.000 0.353 400 S N -1.044 114.631 115.700 -0.041 0.000 2.477 400 S HA 0.564 5.032 4.470 -0.004 0.000 0.261 400 S C 1.189 175.750 174.600 -0.065 0.000 1.197 400 S CA 0.434 58.604 58.200 -0.049 0.000 1.015 400 S CB 0.136 63.313 63.200 -0.038 0.000 1.077 400 S HN 1.069 nan 8.310 nan 0.000 0.505 401 G N -0.447 108.313 108.800 -0.066 0.000 2.708 401 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.229 401 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.229 401 G C 0.587 175.417 174.900 -0.116 0.000 1.236 401 G CA 0.484 45.535 45.100 -0.081 0.000 0.749 401 G HN 2.469 nan 8.290 nan 0.000 0.515 402 V N -2.183 117.649 119.914 -0.137 0.000 3.914 402 V HA 0.241 4.358 4.120 -0.004 0.000 0.523 402 V C 1.080 177.003 176.094 -0.284 0.000 0.683 402 V CA 0.835 63.023 62.300 -0.188 0.000 2.047 402 V CB -1.919 29.818 31.823 -0.143 0.000 2.437 402 V HN 3.026 nan 8.190 nan 0.000 0.515 403 S N 3.294 118.718 115.700 -0.461 0.000 2.853 403 S HA -0.195 4.273 4.470 -0.004 0.000 0.636 403 S C 0.111 174.273 174.600 -0.730 0.000 3.113 403 S CA 2.275 59.946 58.200 -0.882 0.000 3.314 403 S CB -1.115 61.624 63.200 -0.768 0.000 0.332 403 S HN 2.344 nan 8.310 nan 0.000 1.797 404 F N -1.755 118.073 119.950 -0.202 0.000 2.747 404 F HA 0.668 5.192 4.527 -0.004 0.000 0.305 404 F C 1.273 177.047 175.800 -0.044 0.000 1.065 404 F CA 0.293 58.236 58.000 -0.096 0.000 1.230 404 F CB -0.557 38.359 39.000 -0.139 0.000 1.027 404 F HN 0.846 nan 8.300 nan 0.000 0.607 405 D N -0.516 120.005 120.400 0.202 0.000 1.831 405 D HA 0.008 4.646 4.640 -0.004 0.000 0.046 405 D C 0.380 176.678 176.300 -0.003 0.000 1.453 405 D CA 1.058 55.114 54.000 0.094 0.000 0.622 405 D CB -0.378 40.498 40.800 0.127 0.000 3.230 405 D HN -0.118 nan 8.370 nan 0.000 0.191 406 K N -0.785 119.579 120.400 -0.060 0.000 3.470 406 K HA -0.131 4.187 4.320 -0.004 0.000 0.305 406 K C 0.346 176.984 176.600 0.063 0.000 1.363 406 K CA 1.961 58.181 56.287 -0.111 0.000 0.927 406 K CB -1.946 30.513 32.500 -0.068 0.000 1.355 406 K HN 0.367 nan 8.250 nan 0.000 0.466 407 T N -1.139 113.448 114.554 0.056 0.000 3.065 407 T HA 0.084 4.432 4.350 -0.004 0.000 0.234 407 T C 0.219 174.981 174.700 0.102 0.000 1.017 407 T CA 0.539 62.687 62.100 0.078 0.000 1.292 407 T CB -0.006 68.899 68.868 0.062 0.000 1.005 407 T HN 0.360 nan 8.240 nan 0.000 0.423 408 S N 1.514 117.262 115.700 0.079 0.000 2.931 408 S HA 0.042 4.509 4.470 -0.004 0.000 0.342 408 S C 1.496 176.148 174.600 0.086 0.000 1.220 408 S CA 0.148 58.386 58.200 0.064 0.000 1.045 408 S CB 0.043 63.218 63.200 -0.043 0.000 0.758 408 S HN 0.503 nan 8.310 nan 0.000 0.508 409 A N 5.393 128.263 122.820 0.083 0.000 2.032 409 A HA -0.109 4.209 4.320 -0.004 0.000 0.221 409 A C 2.284 179.883 177.584 0.025 0.000 1.165 409 A CA 2.428 54.507 52.037 0.070 0.000 0.645 409 A CB -1.474 17.569 19.000 0.072 0.000 0.807 409 A HN 0.908 nan 8.150 nan 0.000 0.453 410 T N -0.719 113.833 114.554 -0.004 0.000 2.580 410 T HA -0.255 4.093 4.350 -0.004 0.000 0.265 410 T C 1.585 176.219 174.700 -0.110 0.000 1.063 410 T CA 1.499 63.555 62.100 -0.072 0.000 1.170 410 T CB -0.522 68.274 68.868 -0.120 0.000 0.863 410 T HN 0.807 nan 8.240 nan 0.000 0.418 411 W N 2.388 123.550 121.300 -0.229 0.000 2.304 411 W HA -0.212 4.446 4.660 -0.004 0.000 0.315 411 W C 1.962 178.365 176.519 -0.194 0.000 1.233 411 W CA 1.074 58.251 57.345 -0.280 0.000 1.261 411 W CB -1.053 28.216 29.460 -0.317 0.000 1.150 411 W HN 0.306 nan 8.180 nan 0.000 0.494 412 L N 1.686 122.776 121.223 -0.221 0.000 2.054 412 L HA -0.338 4.000 4.340 -0.004 0.000 0.220 412 L C 2.670 179.309 176.870 -0.385 0.000 1.081 412 L CA 3.027 57.706 54.840 -0.268 0.000 0.780 412 L CB -0.962 41.083 42.059 -0.024 0.000 0.893 412 L HN 0.098 nan 8.230 nan 0.000 0.438 413 A N -0.502 122.137 122.820 -0.301 0.000 1.832 413 A HA -0.260 4.058 4.320 -0.004 0.000 0.214 413 A C 2.119 179.421 177.584 -0.471 0.000 1.200 413 A CA 1.691 53.545 52.037 -0.306 0.000 0.610 413 A CB -1.087 17.739 19.000 -0.289 0.000 0.842 413 A HN 0.475 nan 8.150 nan 0.000 0.444 414 L N 0.414 121.306 121.223 -0.552 0.000 2.064 414 L HA -0.247 4.090 4.340 -0.004 0.000 0.216 414 L C 2.577 178.993 176.870 -0.756 0.000 1.077 414 L CA 2.795 57.264 54.840 -0.617 0.000 0.766 414 L CB -0.802 40.897 42.059 -0.599 0.000 0.890 414 L HN 0.473 nan 8.230 nan 0.000 0.435 415 S N -0.033 115.020 115.700 -1.078 0.000 2.392 415 S HA -0.324 4.143 4.470 -0.004 0.000 0.225 415 S C 2.201 176.505 174.600 -0.492 0.000 1.041 415 S CA 2.029 59.607 58.200 -1.038 0.000 1.100 415 S CB -0.477 62.087 63.200 -1.059 0.000 1.029 415 S HN 0.712 nan 8.310 nan 0.000 0.424 416 R N 0.922 121.214 120.500 -0.345 0.000 2.094 416 R HA -0.100 4.237 4.340 -0.004 0.000 0.239 416 R C 2.394 178.579 176.300 -0.191 0.000 1.137 416 R CA 1.913 57.903 56.100 -0.183 0.000 0.943 416 R CB -1.228 29.011 30.300 -0.102 0.000 0.850 416 R HN 0.490 nan 8.270 nan 0.000 0.433 417 I N 1.901 122.337 120.570 -0.223 0.000 2.065 417 I HA -0.391 3.776 4.170 -0.004 0.000 0.236 417 I C 2.844 178.962 176.117 0.001 0.000 1.028 417 I CA 1.972 63.204 61.300 -0.113 0.000 1.299 417 I CB -0.720 37.235 38.000 -0.075 0.000 1.015 417 I HN 0.458 nan 8.210 nan 0.000 0.396 418 A N 0.520 123.335 122.820 -0.007 0.000 1.986 418 A HA -0.200 4.117 4.320 -0.004 0.000 0.220 418 A C 2.297 179.900 177.584 0.032 0.000 1.171 418 A CA 2.201 54.296 52.037 0.097 0.000 0.640 418 A CB -1.379 17.513 19.000 -0.180 0.000 0.811 418 A HN 0.611 nan 8.150 nan 0.000 0.451 419 G N -0.589 108.181 108.800 -0.049 0.000 2.404 419 G HA2 0.058 4.015 3.960 -0.004 0.000 0.213 419 G HA3 0.058 4.015 3.960 -0.004 0.000 0.213 419 G C 1.386 176.269 174.900 -0.029 0.000 1.189 419 G CA 0.981 46.062 45.100 -0.031 0.000 0.796 419 G HN 0.360 nan 8.290 nan 0.000 0.532 420 L N 0.408 121.582 121.223 -0.081 0.000 2.005 420 L HA 0.101 4.439 4.340 -0.004 0.000 0.207 420 L C 2.089 178.966 176.870 0.011 0.000 1.072 420 L CA 0.550 55.309 54.840 -0.136 0.000 0.744 420 L CB -0.780 41.027 42.059 -0.421 0.000 0.895 420 L HN 0.246 nan 8.230 nan 0.000 0.433 421 C N 2.711 122.030 119.300 0.032 0.000 3.461 421 C HA 0.215 4.672 4.460 -0.004 0.000 0.525 421 C C 0.403 175.421 174.990 0.047 0.000 1.028 421 C CA -0.186 58.867 59.018 0.058 0.000 1.068 421 C CB -2.880 24.875 27.740 0.025 0.000 1.402 421 C HN 0.426 nan 8.230 nan 0.000 0.612 422 N N 1.390 120.110 118.700 0.034 0.000 2.636 422 N HA 0.294 5.032 4.740 -0.004 0.000 0.261 422 N C -0.351 175.150 175.510 -0.015 0.000 1.195 422 N CA -0.561 52.486 53.050 -0.005 0.000 0.902 422 N CB 1.157 39.646 38.487 0.002 0.000 1.627 422 N HN 0.522 nan 8.380 nan 0.000 0.491 423 R N 0.520 120.984 120.500 -0.059 0.000 2.509 423 R HA 0.384 4.722 4.340 -0.004 0.000 0.300 423 R C 0.194 176.456 176.300 -0.063 0.000 0.985 423 R CA -0.293 55.777 56.100 -0.050 0.000 1.092 423 R CB 0.659 30.919 30.300 -0.067 0.000 1.237 423 R HN 0.492 nan 8.270 nan 0.000 0.546 424 A N 0.787 123.560 122.820 -0.077 0.000 2.304 424 A HA 0.619 4.936 4.320 -0.004 0.000 0.271 424 A C 0.320 177.848 177.584 -0.095 0.000 1.091 424 A CA -0.329 51.638 52.037 -0.117 0.000 0.812 424 A CB 0.664 19.568 19.000 -0.161 0.000 1.056 424 A HN 0.055 nan 8.150 nan 0.000 0.489 425 V N -3.053 116.756 119.914 -0.174 0.000 3.129 425 V HA 0.787 4.904 4.120 -0.004 0.000 0.310 425 V C -1.148 174.779 176.094 -0.280 0.000 1.593 425 V CA -1.022 61.242 62.300 -0.060 0.000 0.995 425 V CB 0.576 32.440 31.823 0.067 0.000 1.033 425 V HN 0.800 nan 8.190 nan 0.000 0.482 426 F N -0.934 119.013 119.950 -0.005 0.000 2.620 426 F HA 0.861 5.386 4.527 -0.004 0.000 0.320 426 F C 0.645 176.442 175.800 -0.005 0.000 1.069 426 F CA -0.667 57.330 58.000 -0.005 0.000 0.953 426 F CB 1.703 40.701 39.000 -0.003 0.000 1.322 426 F HN 0.509 nan 8.300 nan 0.000 0.479 427 Q N 1.057 120.965 119.800 0.180 0.000 1.738 427 Q HA 0.515 4.853 4.340 -0.004 0.000 0.471 427 Q C 0.892 176.939 176.000 0.078 0.000 0.931 427 Q CA 0.627 56.487 55.803 0.096 0.000 0.869 427 Q CB -0.579 28.193 28.738 0.058 0.000 1.561 427 Q HN 0.764 nan 8.270 nan 0.000 0.400 428 A N 1.453 124.307 122.820 0.057 0.000 2.297 428 A HA -0.054 4.264 4.320 -0.004 0.000 0.279 428 A C 0.899 178.500 177.584 0.027 0.000 1.219 428 A CA 0.517 52.574 52.037 0.034 0.000 0.827 428 A CB -0.519 18.495 19.000 0.025 0.000 1.129 428 A HN 0.683 nan 8.150 nan 0.000 0.511 429 N N -0.479 118.224 118.700 0.006 0.000 2.381 429 N HA -0.111 4.626 4.740 -0.004 0.000 0.182 429 N C -0.617 174.874 175.510 -0.032 0.000 1.025 429 N CA 0.800 53.841 53.050 -0.016 0.000 0.888 429 N CB -0.415 38.061 38.487 -0.018 0.000 0.965 429 N HN 0.528 nan 8.380 nan 0.000 0.438 430 Q N 0.943 120.737 119.800 -0.010 0.000 2.368 430 Q HA -0.198 4.140 4.340 -0.004 0.000 0.354 430 Q C 0.735 176.710 176.000 -0.041 0.000 1.260 430 Q CA 1.008 56.804 55.803 -0.012 0.000 1.081 430 Q CB -1.462 27.279 28.738 0.005 0.000 1.196 430 Q HN 0.802 nan 8.270 nan 0.000 0.299 431 E N 0.744 120.926 120.200 -0.029 0.000 2.170 431 E HA -0.124 4.224 4.350 -0.004 0.000 0.191 431 E C 0.247 176.828 176.600 -0.031 0.000 0.981 431 E CA 0.566 56.945 56.400 -0.035 0.000 0.830 431 E CB -0.087 29.597 29.700 -0.026 0.000 0.775 431 E HN 0.677 nan 8.360 nan 0.000 0.470 432 N N 1.761 120.450 118.700 -0.019 0.000 2.359 432 N HA -0.113 4.625 4.740 -0.004 0.000 0.261 432 N C 0.682 176.183 175.510 -0.016 0.000 1.267 432 N CA 0.114 53.157 53.050 -0.012 0.000 0.864 432 N CB 0.608 39.094 38.487 -0.002 0.000 1.063 432 N HN 0.132 nan 8.380 nan 0.000 0.474 433 L N 0.638 121.851 121.223 -0.016 0.000 2.549 433 L HA 0.016 4.354 4.340 -0.004 0.000 0.230 433 L C -1.107 175.761 176.870 -0.004 0.000 1.162 433 L CA -0.046 54.783 54.840 -0.017 0.000 0.834 433 L CB -1.225 40.824 42.059 -0.018 0.000 0.947 433 L HN 0.531 nan 8.230 nan 0.000 0.452 434 P HA -0.074 nan 4.420 nan 0.000 0.232 434 P C 1.173 178.500 177.300 0.046 0.000 1.606 434 P CA 0.354 63.467 63.100 0.022 0.000 1.105 434 P CB -0.149 31.564 31.700 0.022 0.000 1.919 435 I N 0.417 121.014 120.570 0.045 0.000 2.185 435 I HA -0.251 3.917 4.170 -0.004 0.000 0.246 435 I C 1.946 178.141 176.117 0.129 0.000 1.088 435 I CA 1.804 63.158 61.300 0.090 0.000 1.347 435 I CB -0.847 37.194 38.000 0.069 0.000 1.041 435 I HN 0.303 nan 8.210 nan 0.000 0.415 436 L N -0.337 120.933 121.223 0.078 0.000 2.313 436 L HA -0.133 4.205 4.340 -0.004 0.000 0.214 436 L C 1.902 178.805 176.870 0.054 0.000 1.119 436 L CA 0.742 55.620 54.840 0.064 0.000 0.809 436 L CB -0.165 41.917 42.059 0.039 0.000 0.933 436 L HN 0.059 nan 8.230 nan 0.000 0.449 437 K N -0.156 120.276 120.400 0.053 0.000 2.372 437 K HA 0.134 4.451 4.320 -0.004 0.000 0.200 437 K C 0.416 177.051 176.600 0.059 0.000 1.022 437 K CA -0.049 56.263 56.287 0.042 0.000 1.125 437 K CB 0.181 32.698 32.500 0.028 0.000 0.855 437 K HN 0.040 nan 8.250 nan 0.000 0.524 438 R N -0.204 120.359 120.500 0.104 0.000 2.726 438 R HA 0.386 4.724 4.340 -0.004 0.000 0.272 438 R C -0.324 176.046 176.300 0.117 0.000 1.097 438 R CA 0.013 56.208 56.100 0.158 0.000 1.198 438 R CB 0.559 31.052 30.300 0.322 0.000 1.114 438 R HN 0.106 nan 8.270 nan 0.000 0.550 439 A N 1.377 124.277 122.820 0.133 0.000 2.354 439 A HA 0.346 4.663 4.320 -0.004 0.000 0.281 439 A C 0.346 177.896 177.584 -0.056 0.000 1.174 439 A CA -0.680 51.385 52.037 0.046 0.000 0.828 439 A CB 0.064 19.098 19.000 0.056 0.000 1.099 439 A HN 0.549 nan 8.150 nan 0.000 0.516 440 V N 0.318 120.161 119.914 -0.118 0.000 3.596 440 V HA 0.849 4.967 4.120 -0.004 0.000 0.288 440 V C 0.779 176.786 176.094 -0.145 0.000 1.021 440 V CA 0.333 62.507 62.300 -0.211 0.000 1.020 440 V CB 0.997 32.722 31.823 -0.163 0.000 1.243 440 V HN 1.362 nan 8.190 nan 0.000 0.433 441 A N -0.223 122.505 122.820 -0.154 0.000 1.803 441 A HA 0.599 4.916 4.320 -0.004 0.000 0.202 441 A C 1.698 179.226 177.584 -0.094 0.000 1.802 441 A CA 0.802 52.779 52.037 -0.100 0.000 1.096 441 A CB -0.798 18.148 19.000 -0.090 0.000 1.046 441 A HN 1.411 nan 8.150 nan 0.000 0.568 442 G N 0.629 109.359 108.800 -0.116 0.000 2.910 442 G HA2 0.221 4.179 3.960 -0.004 0.000 0.206 442 G HA3 0.221 4.179 3.960 -0.004 0.000 0.206 442 G C 0.232 175.066 174.900 -0.110 0.000 1.406 442 G CA 1.631 46.660 45.100 -0.118 0.000 0.816 442 G HN 0.975 nan 8.290 nan 0.000 0.669 443 D N -3.857 116.469 120.400 -0.123 0.000 2.653 443 D HA 0.550 5.188 4.640 -0.004 0.000 0.258 443 D C 0.689 176.940 176.300 -0.082 0.000 1.252 443 D CA 0.142 54.086 54.000 -0.094 0.000 0.777 443 D CB 0.856 41.596 40.800 -0.100 0.000 1.339 443 D HN 0.448 nan 8.370 nan 0.000 0.422 444 A N 1.152 123.943 122.820 -0.047 0.000 1.891 444 A HA -0.317 4.000 4.320 -0.004 0.000 0.221 444 A C 2.305 179.879 177.584 -0.017 0.000 1.394 444 A CA 3.490 55.512 52.037 -0.024 0.000 0.730 444 A CB -1.608 17.392 19.000 -0.000 0.000 0.845 444 A HN 0.815 nan 8.150 nan 0.000 0.471 445 S N -0.802 114.899 115.700 0.002 0.000 2.406 445 S HA -0.330 4.138 4.470 -0.004 0.000 0.242 445 S C 1.948 176.553 174.600 0.008 0.000 1.079 445 S CA 2.365 60.584 58.200 0.031 0.000 1.133 445 S CB -0.549 62.683 63.200 0.054 0.000 1.005 445 S HN 0.644 nan 8.310 nan 0.000 0.443 446 E N 0.115 120.271 120.200 -0.074 0.000 2.021 446 E HA -0.068 4.279 4.350 -0.004 0.000 0.189 446 E C 2.598 179.160 176.600 -0.063 0.000 0.980 446 E CA 1.243 57.592 56.400 -0.085 0.000 0.803 446 E CB -0.375 29.210 29.700 -0.191 0.000 0.766 446 E HN 0.797 nan 8.360 nan 0.000 0.449 447 S N 1.606 117.248 115.700 -0.097 0.000 2.402 447 S HA -0.194 4.274 4.470 -0.004 0.000 0.233 447 S C 2.284 176.844 174.600 -0.065 0.000 1.030 447 S CA 1.111 59.238 58.200 -0.123 0.000 1.003 447 S CB -0.410 62.701 63.200 -0.149 0.000 0.813 447 S HN 0.293 nan 8.310 nan 0.000 0.477 448 A N 2.140 124.945 122.820 -0.024 0.000 1.892 448 A HA -0.019 4.298 4.320 -0.004 0.000 0.218 448 A C 2.349 179.957 177.584 0.040 0.000 1.188 448 A CA 1.769 53.816 52.037 0.017 0.000 0.631 448 A CB -0.924 18.100 19.000 0.040 0.000 0.822 448 A HN 0.556 nan 8.150 nan 0.000 0.447 449 L N -1.070 120.181 121.223 0.045 0.000 2.005 449 L HA -0.127 4.210 4.340 -0.004 0.000 0.207 449 L C 2.607 179.508 176.870 0.050 0.000 1.072 449 L CA 1.289 56.166 54.840 0.062 0.000 0.744 449 L CB -0.509 41.605 42.059 0.092 0.000 0.895 449 L HN 0.534 nan 8.230 nan 0.000 0.433 450 L N 0.108 121.341 121.223 0.017 0.000 1.978 450 L HA -0.362 3.975 4.340 -0.004 0.000 0.218 450 L C 2.724 179.645 176.870 0.084 0.000 1.075 450 L CA 1.864 56.718 54.840 0.024 0.000 0.767 450 L CB -0.204 41.808 42.059 -0.078 0.000 0.890 450 L HN 0.212 nan 8.230 nan 0.000 0.434 451 K N -0.540 119.893 120.400 0.054 0.000 2.001 451 K HA -0.294 4.023 4.320 -0.004 0.000 0.214 451 K C 2.266 178.943 176.600 0.129 0.000 1.050 451 K CA 2.175 58.530 56.287 0.113 0.000 0.934 451 K CB -0.888 31.651 32.500 0.063 0.000 0.718 451 K HN 0.645 nan 8.250 nan 0.000 0.443 452 C N 0.716 120.086 119.300 0.117 0.000 2.398 452 C HA -0.108 4.350 4.460 -0.004 0.000 0.279 452 C C 0.928 176.045 174.990 0.212 0.000 1.250 452 C CA 0.399 59.512 59.018 0.160 0.000 1.786 452 C CB -0.806 27.035 27.740 0.169 0.000 2.018 452 C HN 0.344 nan 8.230 nan 0.000 0.494 453 I N 1.846 122.523 120.570 0.178 0.000 2.373 453 I HA 0.333 4.500 4.170 -0.004 0.000 0.287 453 I C 0.661 176.875 176.117 0.161 0.000 1.124 453 I CA 0.716 62.128 61.300 0.186 0.000 1.273 453 I CB -0.728 37.336 38.000 0.106 0.000 1.578 453 I HN 0.448 nan 8.210 nan 0.000 0.572 454 E N 0.781 121.075 120.200 0.156 0.000 2.209 454 E HA 0.030 4.378 4.350 -0.004 0.000 0.192 454 E C 1.490 178.142 176.600 0.086 0.000 0.979 454 E CA 0.132 56.603 56.400 0.119 0.000 1.419 454 E CB 0.253 30.048 29.700 0.157 0.000 3.128 454 E HN 0.217 nan 8.360 nan 0.000 0.975 455 L N 1.114 122.393 121.223 0.094 0.000 2.093 455 L HA -0.035 4.302 4.340 -0.004 0.000 0.208 455 L C 1.575 178.465 176.870 0.034 0.000 1.085 455 L CA 1.403 56.268 54.840 0.042 0.000 0.755 455 L CB -0.785 41.286 42.059 0.020 0.000 0.904 455 L HN 0.264 nan 8.230 nan 0.000 0.435 456 C N -5.363 113.995 119.300 0.095 0.000 3.321 456 C HA 0.546 5.004 4.460 -0.004 0.000 0.363 456 C C 0.904 175.996 174.990 0.170 0.000 1.705 456 C CA -1.330 57.756 59.018 0.113 0.000 1.298 456 C CB 1.226 29.038 27.740 0.120 0.000 2.086 456 C HN 0.476 nan 8.230 nan 0.000 0.438 457 C N 0.866 120.279 119.300 0.188 0.000 4.028 457 C HA 0.291 4.749 4.460 -0.004 0.000 0.300 457 C C 1.424 176.468 174.990 0.089 0.000 1.399 457 C CA 0.745 59.860 59.018 0.161 0.000 2.051 457 C CB -2.949 24.915 27.740 0.206 0.000 1.318 457 C HN 2.922 nan 8.230 nan 0.000 0.696 458 G N 0.468 109.304 108.800 0.060 0.000 2.549 458 G HA2 -0.114 3.844 3.960 -0.004 0.000 0.338 458 G HA3 -0.114 3.844 3.960 -0.004 0.000 0.338 458 G C 0.133 175.049 174.900 0.025 0.000 1.342 458 G CA 0.692 45.809 45.100 0.027 0.000 0.935 458 G HN 2.300 nan 8.290 nan 0.000 0.534 459 S N -0.642 115.059 115.700 0.001 0.000 2.499 459 S HA 0.436 4.904 4.470 -0.004 0.000 0.279 459 S C 1.669 176.280 174.600 0.018 0.000 1.219 459 S CA 0.276 58.474 58.200 -0.004 0.000 1.062 459 S CB 1.308 64.480 63.200 -0.048 0.000 0.978 459 S HN 1.922 nan 8.310 nan 0.000 0.489 460 V N 4.536 124.485 119.914 0.058 0.000 2.407 460 V HA -0.068 4.050 4.120 -0.004 0.000 0.248 460 V C 2.376 178.499 176.094 0.048 0.000 1.055 460 V CA 1.932 64.269 62.300 0.062 0.000 1.049 460 V CB -1.105 30.782 31.823 0.105 0.000 0.662 460 V HN 0.962 nan 8.190 nan 0.000 0.455 461 K N 0.535 120.971 120.400 0.061 0.000 2.127 461 K HA -0.264 4.053 4.320 -0.004 0.000 0.208 461 K C 2.175 178.781 176.600 0.009 0.000 1.047 461 K CA 2.417 58.730 56.287 0.044 0.000 0.927 461 K CB -0.206 32.312 32.500 0.029 0.000 0.716 461 K HN 0.764 nan 8.250 nan 0.000 0.450 462 E N 0.145 120.339 120.200 -0.010 0.000 2.112 462 E HA -0.161 4.186 4.350 -0.004 0.000 0.190 462 E C 2.010 178.582 176.600 -0.047 0.000 0.979 462 E CA 0.912 57.294 56.400 -0.030 0.000 0.814 462 E CB -0.133 29.544 29.700 -0.039 0.000 0.762 462 E HN 0.391 nan 8.360 nan 0.000 0.460 463 M N 0.917 120.496 119.600 -0.036 0.000 2.296 463 M HA -0.106 4.372 4.480 -0.004 0.000 0.265 463 M C 2.069 178.352 176.300 -0.027 0.000 1.064 463 M CA 1.238 56.508 55.300 -0.049 0.000 1.109 463 M CB 0.122 32.716 32.600 -0.011 0.000 1.396 463 M HN -0.087 nan 8.290 nan 0.000 0.430 464 R N -0.044 120.451 120.500 -0.009 0.000 2.115 464 R HA -0.068 4.269 4.340 -0.004 0.000 0.226 464 R C 1.582 177.888 176.300 0.010 0.000 1.100 464 R CA 1.320 57.420 56.100 0.000 0.000 0.980 464 R CB 0.026 30.340 30.300 0.024 0.000 0.875 464 R HN 0.546 nan 8.270 nan 0.000 0.445 465 E N -0.543 119.652 120.200 -0.008 0.000 2.400 465 E HA -0.033 4.315 4.350 -0.004 0.000 0.195 465 E C 1.771 178.344 176.600 -0.045 0.000 1.012 465 E CA -0.052 56.343 56.400 -0.009 0.000 0.875 465 E CB 0.255 29.948 29.700 -0.012 0.000 0.859 465 E HN 0.176 nan 8.360 nan 0.000 0.498 466 R N 0.383 120.817 120.500 -0.110 0.000 2.070 466 R HA -0.099 4.239 4.340 -0.004 0.000 0.232 466 R C 0.137 176.294 176.300 -0.237 0.000 1.138 466 R CA 1.185 57.138 56.100 -0.246 0.000 0.936 466 R CB 0.031 30.075 30.300 -0.426 0.000 0.839 466 R HN 0.056 nan 8.270 nan 0.000 0.429 467 Y N 1.062 121.324 120.300 -0.064 0.000 2.594 467 Y HA 0.192 4.740 4.550 -0.004 0.000 0.342 467 Y C -0.228 175.671 175.900 -0.001 0.000 1.010 467 Y CA -0.327 57.738 58.100 -0.058 0.000 1.270 467 Y CB 1.169 39.535 38.460 -0.156 0.000 1.125 467 Y HN -0.064 nan 8.280 nan 0.000 0.513 468 T N 4.156 118.822 114.554 0.187 0.000 2.916 468 T HA 0.035 4.382 4.350 -0.004 0.000 0.303 468 T C 0.223 175.083 174.700 0.266 0.000 1.025 468 T CA -0.507 61.700 62.100 0.178 0.000 1.142 468 T CB 0.383 69.311 68.868 0.100 0.000 0.947 468 T HN 0.414 nan 8.240 nan 0.000 0.544 469 K N 3.386 123.952 120.400 0.275 0.000 2.276 469 K HA 0.262 4.580 4.320 -0.004 0.000 0.283 469 K C 0.833 177.392 176.600 -0.068 0.000 1.044 469 K CA -0.386 55.923 56.287 0.036 0.000 0.944 469 K CB 0.329 32.858 32.500 0.048 0.000 1.012 469 K HN 0.683 nan 8.250 nan 0.000 0.472 470 I N 1.389 121.850 120.570 -0.181 0.000 3.883 470 I HA 0.112 4.280 4.170 -0.004 0.000 0.305 470 I C 0.015 176.061 176.117 -0.119 0.000 1.247 470 I CA -0.437 60.806 61.300 -0.094 0.000 1.350 470 I CB 0.692 38.666 38.000 -0.044 0.000 1.194 470 I HN 0.228 nan 8.210 nan 0.000 0.441 471 V N 0.358 120.122 119.914 -0.249 0.000 3.048 471 V HA 0.699 4.816 4.120 -0.004 0.000 0.303 471 V C -1.462 174.489 176.094 -0.238 0.000 1.214 471 V CA -0.532 61.658 62.300 -0.185 0.000 0.984 471 V CB 1.830 33.552 31.823 -0.169 0.000 1.054 471 V HN 0.482 nan 8.190 nan 0.000 0.430 472 E N 3.655 123.786 120.200 -0.114 0.000 2.321 472 E HA 0.673 5.021 4.350 -0.004 0.000 0.278 472 E C -1.648 174.951 176.600 -0.002 0.000 0.902 472 E CA -0.998 55.346 56.400 -0.094 0.000 0.758 472 E CB 2.849 32.503 29.700 -0.076 0.000 1.213 472 E HN 0.715 nan 8.360 nan 0.000 0.426 473 I N 3.427 124.007 120.570 0.017 0.000 2.291 473 I HA 0.251 4.418 4.170 -0.004 0.000 0.290 473 I C -2.114 174.060 176.117 0.095 0.000 1.050 473 I CA -2.272 59.075 61.300 0.079 0.000 1.245 473 I CB 0.904 38.972 38.000 0.115 0.000 1.405 473 I HN 0.366 nan 8.210 nan 0.000 0.478 474 P HA -0.209 nan 4.420 nan 0.000 0.266 474 P C -0.060 177.350 177.300 0.184 0.000 1.162 474 P CA 0.259 63.436 63.100 0.127 0.000 0.758 474 P CB 0.252 32.012 31.700 0.100 0.000 0.774 475 F N 2.842 122.813 119.950 0.035 0.000 2.669 475 F HA -0.142 4.383 4.527 -0.004 0.000 0.344 475 F C 0.869 176.701 175.800 0.053 0.000 1.161 475 F CA 0.122 58.144 58.000 0.037 0.000 1.377 475 F CB -0.429 38.581 39.000 0.016 0.000 1.047 475 F HN 0.361 nan 8.300 nan 0.000 0.627 476 N N 2.017 120.315 118.700 -0.670 0.000 1.670 476 N HA -0.140 4.597 4.740 -0.004 0.000 0.343 476 N C -0.774 174.613 175.510 -0.204 0.000 1.274 476 N CA 1.167 53.927 53.050 -0.484 0.000 0.788 476 N CB -0.073 37.979 38.487 -0.725 0.000 1.019 476 N HN 0.473 nan 8.380 nan 0.000 0.515 477 S N 1.478 117.101 115.700 -0.129 0.000 2.257 477 S HA 0.227 4.695 4.470 -0.004 0.000 0.191 477 S C 1.029 175.568 174.600 -0.101 0.000 1.386 477 S CA -0.341 57.816 58.200 -0.072 0.000 1.233 477 S CB 0.678 63.863 63.200 -0.026 0.000 1.138 477 S HN 0.762 nan 8.310 nan 0.000 0.483 478 T N 2.524 117.009 114.554 -0.115 0.000 11.675 478 T HA -0.250 4.098 4.350 -0.004 0.000 0.407 478 T C 1.186 175.798 174.700 -0.146 0.000 1.535 478 T CA 2.106 64.141 62.100 -0.109 0.000 2.503 478 T CB -1.554 67.267 68.868 -0.078 0.000 2.785 478 T HN 0.719 nan 8.240 nan 0.000 0.895 479 N N 1.195 119.780 118.700 -0.192 0.000 2.434 479 N HA 0.141 4.878 4.740 -0.004 0.000 0.196 479 N C 0.250 175.531 175.510 -0.382 0.000 1.183 479 N CA 0.895 53.781 53.050 -0.274 0.000 0.849 479 N CB -0.024 38.271 38.487 -0.319 0.000 0.992 479 N HN 0.629 nan 8.380 nan 0.000 0.460 480 K N 0.392 120.616 120.400 -0.294 0.000 2.598 480 K HA -0.271 4.046 4.320 -0.004 0.000 0.593 480 K C -0.493 175.946 176.600 -0.269 0.000 2.574 480 K CA 1.216 57.347 56.287 -0.260 0.000 1.992 480 K CB -1.013 31.377 32.500 -0.183 0.000 2.737 480 K HN 0.542 nan 8.250 nan 0.000 0.172 481 Y N -2.209 117.966 120.300 -0.209 0.000 2.504 481 Y HA -0.238 4.310 4.550 -0.004 0.000 0.025 481 Y C -0.864 174.931 175.900 -0.175 0.000 1.700 481 Y CA 0.027 58.022 58.100 -0.175 0.000 1.420 481 Y CB -0.560 37.839 38.460 -0.102 0.000 2.066 481 Y HN 0.864 nan 8.280 nan 0.000 0.254 482 Q N 2.839 122.686 119.800 0.079 0.000 2.327 482 Q HA 0.637 4.974 4.340 -0.004 0.000 0.265 482 Q C -2.155 173.734 176.000 -0.184 0.000 0.993 482 Q CA -0.648 55.166 55.803 0.018 0.000 0.885 482 Q CB 2.053 30.900 28.738 0.182 0.000 1.379 482 Q HN 1.005 nan 8.270 nan 0.000 0.408 483 L N 0.484 121.576 121.223 -0.218 0.000 2.403 483 L HA 0.978 5.316 4.340 -0.004 0.000 0.253 483 L C -1.303 175.466 176.870 -0.168 0.000 1.045 483 L CA -0.558 54.142 54.840 -0.233 0.000 0.845 483 L CB 2.047 43.892 42.059 -0.356 0.000 1.447 483 L HN 0.659 nan 8.230 nan 0.000 0.411 484 S N -0.445 115.120 115.700 -0.226 0.000 2.543 484 S HA 0.790 5.257 4.470 -0.004 0.000 0.274 484 S C -1.108 173.184 174.600 -0.512 0.000 1.149 484 S CA -0.744 57.250 58.200 -0.343 0.000 0.866 484 S CB 0.692 63.717 63.200 -0.292 0.000 1.111 484 S HN 0.774 nan 8.310 nan 0.000 0.457 485 I N 3.276 123.424 120.570 -0.704 0.000 2.378 485 I HA 0.506 4.674 4.170 -0.004 0.000 0.291 485 I C -0.091 175.609 176.117 -0.695 0.000 0.992 485 I CA -0.613 60.251 61.300 -0.727 0.000 1.154 485 I CB 1.170 38.517 38.000 -1.088 0.000 1.315 485 I HN 0.643 nan 8.210 nan 0.000 0.448 486 H N 4.917 123.834 119.070 -0.256 0.000 2.771 486 H HA 0.428 4.982 4.556 -0.004 0.000 0.367 486 H C -0.790 174.493 175.328 -0.074 0.000 1.172 486 H CA -1.080 54.894 56.048 -0.124 0.000 1.186 486 H CB 2.390 32.106 29.762 -0.077 0.000 1.790 486 H HN 0.500 nan 8.280 nan 0.000 0.556 487 K N 1.479 121.957 120.400 0.130 0.000 2.211 487 K HA 0.194 4.512 4.320 -0.004 0.000 0.275 487 K C -0.349 176.342 176.600 0.153 0.000 1.024 487 K CA -0.775 55.539 56.287 0.046 0.000 0.887 487 K CB 1.316 33.809 32.500 -0.010 0.000 1.084 487 K HN 0.322 nan 8.250 nan 0.000 0.463 488 N N 3.622 122.393 118.700 0.118 0.000 2.497 488 N HA 0.125 4.863 4.740 -0.004 0.000 0.271 488 N C -1.964 173.625 175.510 0.132 0.000 1.142 488 N CA -1.986 51.212 53.050 0.246 0.000 0.965 488 N CB 1.251 39.837 38.487 0.164 0.000 1.077 488 N HN 0.439 nan 8.380 nan 0.000 0.462 489 P HA 0.128 nan 4.420 nan 0.000 0.235 489 P C -0.412 176.887 177.300 -0.001 0.000 1.177 489 P CA 0.563 63.669 63.100 0.011 0.000 0.785 489 P CB 0.139 31.800 31.700 -0.064 0.000 0.885 490 N N 0.517 119.232 118.700 0.024 0.000 3.085 490 N HA -0.013 4.725 4.740 -0.004 0.000 0.313 490 N C -0.264 175.227 175.510 -0.032 0.000 1.277 490 N CA -0.036 53.011 53.050 -0.006 0.000 1.150 490 N CB -0.654 37.837 38.487 0.006 0.000 1.437 490 N HN 0.159 nan 8.380 nan 0.000 0.558 491 T N -1.579 112.958 114.554 -0.028 0.000 2.479 491 T HA -0.003 4.344 4.350 -0.004 0.000 0.213 491 T C 0.882 175.558 174.700 -0.040 0.000 1.207 491 T CA 0.201 62.281 62.100 -0.033 0.000 3.737 491 T CB -0.266 68.588 68.868 -0.024 0.000 0.696 491 T HN 0.422 nan 8.240 nan 0.000 0.242 492 A N 1.871 124.657 122.820 -0.058 0.000 1.766 492 A HA 0.328 4.646 4.320 -0.004 0.000 0.172 492 A C 0.612 178.141 177.584 -0.092 0.000 1.489 492 A CA -0.273 51.726 52.037 -0.063 0.000 1.662 492 A CB 0.224 19.186 19.000 -0.062 0.000 1.591 492 A HN 0.631 nan 8.150 nan 0.000 0.804 493 E N 1.472 121.584 120.200 -0.148 0.000 2.351 493 E HA 0.486 4.833 4.350 -0.004 0.000 0.255 493 E C -2.488 173.976 176.600 -0.228 0.000 1.188 493 E CA -2.134 54.128 56.400 -0.230 0.000 0.940 493 E CB -1.261 28.203 29.700 -0.392 0.000 1.094 493 E HN 0.120 nan 8.360 nan 0.000 0.474 494 P HA -0.175 nan 4.420 nan 0.000 0.272 494 P C 0.229 177.482 177.300 -0.078 0.000 1.161 494 P CA 0.859 63.891 63.100 -0.114 0.000 0.756 494 P CB 0.295 31.945 31.700 -0.084 0.000 0.761 495 R N 1.441 121.919 120.500 -0.038 0.000 2.312 495 R HA 0.056 4.393 4.340 -0.004 0.000 0.205 495 R C 0.087 176.173 176.300 -0.358 0.000 0.904 495 R CA 0.265 56.268 56.100 -0.161 0.000 1.052 495 R CB 0.243 30.444 30.300 -0.165 0.000 1.014 495 R HN 0.581 nan 8.270 nan 0.000 0.503 496 H N 0.265 119.359 119.070 0.040 0.000 2.823 496 H HA 0.188 4.742 4.556 -0.004 0.000 0.332 496 H C -1.541 173.750 175.328 -0.062 0.000 0.980 496 H CA -0.836 55.195 56.048 -0.028 0.000 1.286 496 H CB 1.869 31.595 29.762 -0.059 0.000 1.541 496 H HN -0.045 nan 8.280 nan 0.000 0.521 497 L N 5.329 126.549 121.223 -0.005 0.000 2.305 497 L HA 0.416 4.754 4.340 -0.004 0.000 0.284 497 L C -1.052 175.654 176.870 -0.275 0.000 1.013 497 L CA -0.663 54.084 54.840 -0.155 0.000 0.819 497 L CB 1.127 43.076 42.059 -0.183 0.000 1.227 497 L HN 0.544 nan 8.230 nan 0.000 0.417 498 L N 6.759 127.759 121.223 -0.371 0.000 2.331 498 L HA 0.978 5.315 4.340 -0.004 0.000 0.275 498 L C -1.194 175.501 176.870 -0.291 0.000 1.022 498 L CA -0.613 53.998 54.840 -0.382 0.000 0.812 498 L CB 1.961 43.732 42.059 -0.480 0.000 1.257 498 L HN 0.565 nan 8.230 nan 0.000 0.435 499 V N 2.262 122.048 119.914 -0.214 0.000 2.971 499 V HA 0.750 4.867 4.120 -0.004 0.000 0.309 499 V C -0.491 175.507 176.094 -0.160 0.000 1.130 499 V CA -0.647 61.563 62.300 -0.149 0.000 0.964 499 V CB 1.534 33.296 31.823 -0.100 0.000 1.029 499 V HN 1.131 nan 8.190 nan 0.000 0.427 500 M N 2.357 121.858 119.600 -0.165 0.000 2.520 500 M HA 0.887 5.365 4.480 -0.004 0.000 0.283 500 M C -1.350 174.818 176.300 -0.220 0.000 1.237 500 M CA -0.647 54.524 55.300 -0.215 0.000 0.885 500 M CB 2.776 35.182 32.600 -0.323 0.000 1.727 500 M HN 0.891 nan 8.290 nan 0.000 0.468 501 K N 0.859 121.109 120.400 -0.251 0.000 2.532 501 K HA 0.994 5.311 4.320 -0.004 0.000 0.265 501 K C -1.060 175.411 176.600 -0.214 0.000 0.948 501 K CA -0.611 55.438 56.287 -0.397 0.000 0.842 501 K CB 2.497 34.489 32.500 -0.847 0.000 1.392 501 K HN 1.124 nan 8.250 nan 0.000 0.436 502 G N 0.299 108.986 108.800 -0.190 0.000 2.435 502 G HA2 0.510 4.468 3.960 -0.004 0.000 0.296 502 G HA3 0.510 4.468 3.960 -0.004 0.000 0.296 502 G C -1.387 173.481 174.900 -0.052 0.000 1.240 502 G CA -0.565 44.480 45.100 -0.093 0.000 0.872 502 G HN 0.791 nan 8.290 nan 0.000 0.480 503 A N 1.350 124.152 122.820 -0.030 0.000 2.584 503 A HA 0.459 4.777 4.320 -0.004 0.000 0.239 503 A C -0.196 177.409 177.584 0.036 0.000 1.043 503 A CA 0.513 52.558 52.037 0.012 0.000 0.756 503 A CB -0.008 18.992 19.000 0.000 0.000 0.963 503 A HN 0.437 nan 8.150 nan 0.000 0.511 504 P HA -0.231 nan 4.420 nan 0.000 0.215 504 P C 1.007 178.337 177.300 0.051 0.000 1.157 504 P CA 1.762 64.893 63.100 0.051 0.000 0.874 504 P CB 0.120 31.744 31.700 -0.126 0.000 0.790 505 E N -0.248 119.895 120.200 -0.095 0.000 2.000 505 E HA -0.199 4.149 4.350 -0.004 0.000 0.199 505 E C 2.362 178.971 176.600 0.016 0.000 1.011 505 E CA 1.010 57.389 56.400 -0.036 0.000 0.836 505 E CB -0.367 29.313 29.700 -0.034 0.000 0.778 505 E HN 0.068 nan 8.360 nan 0.000 0.462 506 R N 0.623 121.129 120.500 0.009 0.000 2.196 506 R HA -0.235 4.102 4.340 -0.004 0.000 0.234 506 R C 2.381 178.708 176.300 0.046 0.000 1.113 506 R CA 1.350 57.457 56.100 0.012 0.000 0.899 506 R CB -1.383 28.917 30.300 -0.001 0.000 0.863 506 R HN 0.283 nan 8.270 nan 0.000 0.430 507 I N 1.268 121.888 120.570 0.084 0.000 2.151 507 I HA -0.370 3.798 4.170 -0.004 0.000 0.236 507 I C 2.590 178.791 176.117 0.139 0.000 1.000 507 I CA 1.531 62.906 61.300 0.125 0.000 1.285 507 I CB -1.260 36.827 38.000 0.145 0.000 0.994 507 I HN 0.269 nan 8.210 nan 0.000 0.396 508 L N 1.203 122.516 121.223 0.150 0.000 1.976 508 L HA -0.247 4.091 4.340 -0.004 0.000 0.223 508 L C 0.829 177.617 176.870 -0.136 0.000 1.081 508 L CA 2.201 56.986 54.840 -0.093 0.000 0.784 508 L CB -1.509 40.186 42.059 -0.607 0.000 0.896 508 L HN 0.295 nan 8.230 nan 0.000 0.438 509 D N 0.365 120.696 120.400 -0.116 0.000 2.911 509 D HA 0.020 4.657 4.640 -0.004 0.000 0.233 509 D C 1.036 177.320 176.300 -0.027 0.000 1.134 509 D CA 0.309 54.259 54.000 -0.084 0.000 1.011 509 D CB -0.253 40.508 40.800 -0.066 0.000 1.174 509 D HN 0.463 nan 8.370 nan 0.000 0.440 510 R N -1.706 118.790 120.500 -0.006 0.000 2.487 510 R HA 0.150 4.488 4.340 -0.004 0.000 0.237 510 R C -0.994 175.331 176.300 0.041 0.000 0.629 510 R CA -0.313 55.803 56.100 0.027 0.000 0.861 510 R CB -1.143 29.191 30.300 0.057 0.000 1.381 510 R HN 0.166 nan 8.270 nan 0.000 0.558 511 C N -0.437 118.880 119.300 0.028 0.000 3.188 511 C HA 0.764 5.221 4.460 -0.004 0.000 0.379 511 C C 1.269 176.272 174.990 0.022 0.000 2.263 511 C CA 0.371 59.419 59.018 0.050 0.000 1.616 511 C CB 2.009 29.811 27.740 0.103 0.000 2.632 511 C HN 0.653 nan 8.230 nan 0.000 0.488 512 S N -1.127 114.593 115.700 0.033 0.000 2.389 512 S HA 0.186 4.654 4.470 -0.004 0.000 0.261 512 S C -0.316 174.302 174.600 0.030 0.000 0.992 512 S CA 0.409 58.620 58.200 0.019 0.000 1.497 512 S CB -0.428 62.787 63.200 0.025 0.000 1.217 512 S HN 1.339 nan 8.310 nan 0.000 0.633 513 S N 1.699 117.434 115.700 0.057 0.000 2.533 513 S HA 0.790 5.258 4.470 -0.004 0.000 0.271 513 S C -0.912 173.758 174.600 0.116 0.000 1.143 513 S CA -0.807 57.436 58.200 0.071 0.000 0.891 513 S CB 1.656 64.899 63.200 0.073 0.000 1.105 513 S HN 1.102 nan 8.310 nan 0.000 0.468 514 I N -0.070 120.570 120.570 0.117 0.000 2.730 514 I HA 0.606 4.774 4.170 -0.004 0.000 0.298 514 I C -0.682 175.503 176.117 0.114 0.000 1.089 514 I CA -1.450 59.955 61.300 0.175 0.000 1.041 514 I CB 1.409 39.556 38.000 0.246 0.000 1.235 514 I HN 0.678 nan 8.210 nan 0.000 0.423 515 L N 4.857 126.131 121.223 0.086 0.000 2.461 515 L HA 0.312 4.650 4.340 -0.004 0.000 0.259 515 L C -0.118 176.770 176.870 0.030 0.000 1.248 515 L CA -0.080 54.787 54.840 0.046 0.000 0.823 515 L CB 0.613 42.663 42.059 -0.013 0.000 1.111 515 L HN 0.724 nan 8.230 nan 0.000 0.516 516 I N -2.247 118.356 120.570 0.055 0.000 2.564 516 I HA 0.193 4.361 4.170 -0.004 0.000 0.263 516 I C -0.359 175.937 176.117 0.297 0.000 1.298 516 I CA -0.654 60.723 61.300 0.128 0.000 1.157 516 I CB 0.678 38.800 38.000 0.203 0.000 1.461 516 I HN 0.728 nan 8.210 nan 0.000 0.463 517 H N 3.201 122.273 119.070 0.004 0.000 4.653 517 H HA -0.196 4.357 4.556 -0.004 0.000 0.118 517 H C 1.379 176.722 175.328 0.026 0.000 0.678 517 H CA 2.601 58.661 56.048 0.019 0.000 1.231 517 H CB -1.537 28.238 29.762 0.022 0.000 0.721 517 H HN 1.224 nan 8.280 nan 0.000 0.541 518 G N -1.886 107.003 108.800 0.149 0.000 3.617 518 G HA2 -0.130 3.828 3.960 -0.004 0.000 0.217 518 G HA3 -0.130 3.828 3.960 -0.004 0.000 0.217 518 G C 0.496 175.455 174.900 0.098 0.000 0.967 518 G CA -0.060 45.103 45.100 0.106 0.000 0.878 518 G HN 0.203 nan 8.290 nan 0.000 0.439 519 K N 0.560 121.020 120.400 0.100 0.000 2.343 519 K HA 0.367 4.684 4.320 -0.004 0.000 0.250 519 K C 0.029 176.682 176.600 0.088 0.000 1.087 519 K CA 0.243 56.578 56.287 0.080 0.000 0.853 519 K CB 0.328 32.868 32.500 0.066 0.000 1.133 519 K HN 0.333 nan 8.250 nan 0.000 0.509 520 E N 1.068 121.314 120.200 0.077 0.000 4.230 520 E HA -0.015 4.333 4.350 -0.004 0.000 0.218 520 E C -0.806 175.835 176.600 0.068 0.000 1.140 520 E CA -0.110 56.340 56.400 0.083 0.000 1.405 520 E CB 0.265 30.021 29.700 0.093 0.000 1.193 520 E HN 0.433 nan 8.360 nan 0.000 0.423 521 Q N 0.976 120.813 119.800 0.062 0.000 2.349 521 Q HA 0.193 4.530 4.340 -0.004 0.000 0.287 521 Q C -2.038 173.991 176.000 0.049 0.000 1.044 521 Q CA -1.234 54.599 55.803 0.050 0.000 0.918 521 Q CB 0.164 28.931 28.738 0.048 0.000 1.242 521 Q HN 0.041 nan 8.270 nan 0.000 0.405 522 P HA -0.046 nan 4.420 nan 0.000 0.270 522 P C -0.360 176.952 177.300 0.020 0.000 1.223 522 P CA -0.279 62.839 63.100 0.031 0.000 0.785 522 P CB 0.721 32.435 31.700 0.025 0.000 0.923 523 L N 1.802 123.029 121.223 0.006 0.000 2.464 523 L HA 0.200 4.538 4.340 -0.004 0.000 0.264 523 L C 0.237 177.094 176.870 -0.022 0.000 1.199 523 L CA 0.555 55.380 54.840 -0.026 0.000 0.818 523 L CB 0.219 42.244 42.059 -0.056 0.000 1.102 523 L HN 0.646 nan 8.230 nan 0.000 0.473 524 D N -0.356 120.024 120.400 -0.033 0.000 4.142 524 D HA 0.133 4.771 4.640 -0.004 0.000 0.356 524 D C -0.021 176.266 176.300 -0.021 0.000 1.601 524 D CA -0.524 53.465 54.000 -0.019 0.000 0.970 524 D CB 0.253 41.053 40.800 0.001 0.000 1.490 524 D HN 0.316 nan 8.370 nan 0.000 0.621 525 E N -0.147 120.052 120.200 -0.002 0.000 2.166 525 E HA -0.019 4.329 4.350 -0.004 0.000 0.192 525 E C 1.575 178.189 176.600 0.024 0.000 0.967 525 E CA 0.588 56.991 56.400 0.005 0.000 0.840 525 E CB -0.073 29.632 29.700 0.008 0.000 0.795 525 E HN 0.612 nan 8.360 nan 0.000 0.470 526 E N 0.639 120.858 120.200 0.032 0.000 2.048 526 E HA -0.219 4.129 4.350 -0.004 0.000 0.202 526 E C 1.783 178.432 176.600 0.083 0.000 1.021 526 E CA 1.241 57.672 56.400 0.052 0.000 0.825 526 E CB 0.098 29.828 29.700 0.050 0.000 0.756 526 E HN 0.032 nan 8.360 nan 0.000 0.454 527 L N 0.628 121.904 121.223 0.089 0.000 2.307 527 L HA 0.024 4.361 4.340 -0.004 0.000 0.211 527 L C 2.260 179.233 176.870 0.172 0.000 1.099 527 L CA 1.024 55.962 54.840 0.163 0.000 0.816 527 L CB -0.297 41.852 42.059 0.150 0.000 0.952 527 L HN 0.012 nan 8.230 nan 0.000 0.455 528 K N -0.200 120.231 120.400 0.050 0.000 2.360 528 K HA -0.193 4.124 4.320 -0.004 0.000 0.201 528 K C 1.070 177.738 176.600 0.114 0.000 1.046 528 K CA 1.180 57.464 56.287 -0.006 0.000 0.940 528 K CB 0.126 32.585 32.500 -0.069 0.000 0.748 528 K HN 0.313 nan 8.250 nan 0.000 0.465 529 D N 0.035 120.502 120.400 0.112 0.000 2.165 529 D HA -0.033 4.605 4.640 -0.004 0.000 0.213 529 D C 1.761 178.113 176.300 0.086 0.000 0.983 529 D CA 1.368 55.423 54.000 0.091 0.000 0.881 529 D CB -0.616 40.228 40.800 0.072 0.000 1.028 529 D HN 0.186 nan 8.370 nan 0.000 0.457 530 A N 0.423 123.330 122.820 0.144 0.000 2.042 530 A HA -0.208 4.110 4.320 -0.004 0.000 0.222 530 A C 2.039 179.556 177.584 -0.112 0.000 1.167 530 A CA 1.279 53.411 52.037 0.159 0.000 0.649 530 A CB -1.059 18.177 19.000 0.394 0.000 0.809 530 A HN 0.302 nan 8.150 nan 0.000 0.457 531 F N 0.212 119.986 119.950 -0.293 0.000 2.039 531 F HA -0.184 4.340 4.527 -0.004 0.000 0.294 531 F C 2.508 177.981 175.800 -0.545 0.000 1.130 531 F CA 2.130 59.637 58.000 -0.821 0.000 1.189 531 F CB -0.393 38.400 39.000 -0.344 0.000 0.983 531 F HN 0.170 nan 8.300 nan 0.000 0.471 532 Q N 0.926 120.622 119.800 -0.175 0.000 2.096 532 Q HA -0.251 4.086 4.340 -0.004 0.000 0.208 532 Q C 1.871 177.733 176.000 -0.230 0.000 0.993 532 Q CA 2.016 57.719 55.803 -0.166 0.000 0.862 532 Q CB -1.016 27.748 28.738 0.044 0.000 0.915 532 Q HN 0.502 nan 8.270 nan 0.000 0.416 533 N N 0.715 119.288 118.700 -0.212 0.000 2.002 533 N HA -0.206 4.532 4.740 -0.004 0.000 0.199 533 N C 1.706 177.036 175.510 -0.300 0.000 1.060 533 N CA 2.049 54.983 53.050 -0.192 0.000 0.867 533 N CB -0.859 37.550 38.487 -0.130 0.000 1.069 533 N HN 0.327 nan 8.380 nan 0.000 0.430 534 A N -0.001 122.518 122.820 -0.503 0.000 1.929 534 A HA -0.299 4.019 4.320 -0.004 0.000 0.221 534 A C 2.188 179.530 177.584 -0.404 0.000 1.211 534 A CA 2.121 53.798 52.037 -0.600 0.000 0.657 534 A CB -1.358 16.774 19.000 -1.447 0.000 0.827 534 A HN 0.507 nan 8.150 nan 0.000 0.462 535 Y N 0.297 120.206 120.300 -0.652 0.000 2.044 535 Y HA -0.185 4.363 4.550 -0.004 0.000 0.264 535 Y C 2.203 177.930 175.900 -0.288 0.000 1.111 535 Y CA 1.884 59.697 58.100 -0.478 0.000 1.088 535 Y CB -0.974 37.133 38.460 -0.587 0.000 0.981 535 Y HN 0.221 nan 8.280 nan 0.000 0.478 536 L N 0.350 121.392 121.223 -0.302 0.000 2.089 536 L HA -0.284 4.053 4.340 -0.004 0.000 0.213 536 L C 2.511 179.226 176.870 -0.258 0.000 1.079 536 L CA 2.105 56.743 54.840 -0.335 0.000 0.758 536 L CB -0.763 41.190 42.059 -0.177 0.000 0.891 536 L HN 0.424 nan 8.230 nan 0.000 0.433 537 E N 0.259 120.332 120.200 -0.211 0.000 2.265 537 E HA -0.189 4.158 4.350 -0.004 0.000 0.196 537 E C 2.233 178.719 176.600 -0.190 0.000 0.996 537 E CA 0.728 57.025 56.400 -0.172 0.000 0.832 537 E CB 0.161 29.773 29.700 -0.148 0.000 0.756 537 E HN 0.520 nan 8.360 nan 0.000 0.491 538 L N -0.879 120.212 121.223 -0.219 0.000 2.286 538 L HA 0.144 4.482 4.340 -0.004 0.000 0.203 538 L C 2.497 179.238 176.870 -0.214 0.000 1.068 538 L CA 0.681 55.394 54.840 -0.212 0.000 0.811 538 L CB -0.396 41.575 42.059 -0.146 0.000 0.989 538 L HN 0.255 nan 8.230 nan 0.000 0.467 539 G N 0.157 108.782 108.800 -0.291 0.000 2.469 539 G HA2 -0.271 3.686 3.960 -0.004 0.000 0.219 539 G HA3 -0.271 3.686 3.960 -0.004 0.000 0.219 539 G C 1.536 176.316 174.900 -0.200 0.000 1.150 539 G CA 0.889 45.812 45.100 -0.295 0.000 0.763 539 G HN 0.487 nan 8.290 nan 0.000 0.561 540 G N 0.872 109.557 108.800 -0.191 0.000 2.505 540 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.220 540 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.220 540 G C 1.535 176.368 174.900 -0.111 0.000 1.145 540 G CA 0.937 45.955 45.100 -0.138 0.000 0.761 540 G HN 0.379 nan 8.290 nan 0.000 0.571 541 L N 1.157 122.305 121.223 -0.126 0.000 2.633 541 L HA 0.252 4.589 4.340 -0.004 0.000 0.235 541 L C 2.174 179.002 176.870 -0.071 0.000 1.163 541 L CA 0.930 55.710 54.840 -0.100 0.000 0.859 541 L CB -0.514 41.460 42.059 -0.141 0.000 0.973 541 L HN 0.442 nan 8.230 nan 0.000 0.451 542 G N -0.586 108.167 108.800 -0.078 0.000 2.160 542 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.251 542 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.251 542 G C 0.219 175.102 174.900 -0.028 0.000 1.008 542 G CA 0.441 45.510 45.100 -0.051 0.000 0.724 542 G HN 0.523 nan 8.290 nan 0.000 0.514 543 E N -0.087 120.094 120.200 -0.032 0.000 2.248 543 E HA 0.647 4.995 4.350 -0.004 0.000 0.272 543 E C 0.172 176.783 176.600 0.019 0.000 1.008 543 E CA -1.129 55.277 56.400 0.011 0.000 0.856 543 E CB 1.434 31.155 29.700 0.034 0.000 1.120 543 E HN 0.377 nan 8.360 nan 0.000 0.397 544 R N 0.607 121.140 120.500 0.056 0.000 2.441 544 R HA 0.311 4.648 4.340 -0.004 0.000 0.284 544 R C -0.175 176.199 176.300 0.124 0.000 1.070 544 R CA -0.542 55.606 56.100 0.081 0.000 1.047 544 R CB 0.981 31.337 30.300 0.094 0.000 1.016 544 R HN 0.462 nan 8.270 nan 0.000 0.477 545 V N 0.801 120.812 119.914 0.161 0.000 2.680 545 V HA 0.570 4.688 4.120 -0.004 0.000 0.309 545 V C -0.795 175.448 176.094 0.248 0.000 1.052 545 V CA -1.201 61.236 62.300 0.228 0.000 0.908 545 V CB 1.658 33.645 31.823 0.273 0.000 1.001 545 V HN 0.352 nan 8.190 nan 0.000 0.431 546 L N 3.049 124.448 121.223 0.293 0.000 2.342 546 L HA 0.914 5.252 4.340 -0.004 0.000 0.271 546 L C 0.672 177.698 176.870 0.260 0.000 1.008 546 L CA -0.074 54.897 54.840 0.219 0.000 0.818 546 L CB 1.874 44.046 42.059 0.188 0.000 1.296 546 L HN 1.016 nan 8.230 nan 0.000 0.427 547 G N 1.189 110.023 108.800 0.057 0.000 2.343 547 G HA2 0.587 4.544 3.960 -0.004 0.000 0.319 547 G HA3 0.587 4.544 3.960 -0.004 0.000 0.319 547 G C -1.283 173.506 174.900 -0.184 0.000 1.126 547 G CA -0.080 45.099 45.100 0.132 0.000 0.889 547 G HN 0.201 nan 8.290 nan 0.000 0.457 548 F N 0.866 120.706 119.950 -0.182 0.000 2.508 548 F HA 0.685 5.209 4.527 -0.004 0.000 0.325 548 F C 0.640 176.193 175.800 -0.410 0.000 1.090 548 F CA -0.980 56.870 58.000 -0.251 0.000 0.945 548 F CB 2.122 40.969 39.000 -0.256 0.000 1.156 548 F HN 0.756 nan 8.300 nan 0.000 0.463 549 C N 1.484 120.691 119.300 -0.155 0.000 3.303 549 C HA 0.845 5.302 4.460 -0.004 0.000 0.340 549 C C -1.448 173.484 174.990 -0.096 0.000 1.274 549 C CA -0.627 58.284 59.018 -0.178 0.000 1.234 549 C CB 1.484 29.177 27.740 -0.079 0.000 1.532 549 C HN 1.093 nan 8.230 nan 0.000 0.483 550 H N 0.906 119.846 119.070 -0.218 0.000 2.960 550 H HA 0.943 5.496 4.556 -0.004 0.000 0.338 550 H C -1.988 173.144 175.328 -0.327 0.000 1.261 550 H CA -1.682 54.182 56.048 -0.307 0.000 1.136 550 H CB 1.246 30.754 29.762 -0.424 0.000 1.875 550 H HN 1.156 nan 8.280 nan 0.000 0.550 551 L N 0.522 121.450 121.223 -0.492 0.000 2.505 551 L HA 0.524 4.861 4.340 -0.004 0.000 0.259 551 L C -2.000 174.502 176.870 -0.613 0.000 0.952 551 L CA -0.499 54.042 54.840 -0.498 0.000 0.840 551 L CB 1.897 43.833 42.059 -0.206 0.000 1.358 551 L HN 0.533 nan 8.230 nan 0.000 0.409 552 F N 5.100 124.870 119.950 -0.301 0.000 2.313 552 F HA 0.467 4.992 4.527 -0.004 0.000 0.369 552 F C -0.099 175.606 175.800 -0.160 0.000 1.109 552 F CA -0.608 57.251 58.000 -0.236 0.000 1.132 552 F CB 0.789 39.664 39.000 -0.207 0.000 1.291 552 F HN 0.191 nan 8.300 nan 0.000 0.496 553 L N 6.526 127.722 121.223 -0.044 0.000 2.500 553 L HA 0.168 4.506 4.340 -0.004 0.000 0.272 553 L C -1.827 175.089 176.870 0.077 0.000 1.149 553 L CA -1.880 52.865 54.840 -0.158 0.000 0.897 553 L CB -0.332 41.278 42.059 -0.749 0.000 1.178 553 L HN 0.303 nan 8.230 nan 0.000 0.473 554 P HA -0.055 nan 4.420 nan 0.000 0.266 554 P C -0.372 177.084 177.300 0.259 0.000 1.186 554 P CA 0.047 63.263 63.100 0.193 0.000 0.767 554 P CB 0.953 32.751 31.700 0.163 0.000 0.820 555 D N 1.756 122.253 120.400 0.161 0.000 2.077 555 D HA -0.172 4.465 4.640 -0.004 0.000 0.196 555 D C 1.684 178.050 176.300 0.111 0.000 0.986 555 D CA 1.347 55.442 54.000 0.157 0.000 0.829 555 D CB -0.416 40.441 40.800 0.095 0.000 0.983 555 D HN 0.541 nan 8.370 nan 0.000 0.453 556 E N 0.913 121.150 120.200 0.062 0.000 2.492 556 E HA -0.226 4.122 4.350 -0.004 0.000 0.204 556 E C 1.234 177.814 176.600 -0.033 0.000 1.073 556 E CA 0.890 57.302 56.400 0.020 0.000 0.887 556 E CB -0.219 29.489 29.700 0.014 0.000 0.813 556 E HN 0.450 nan 8.360 nan 0.000 0.562 557 Q N -0.822 118.947 119.800 -0.052 0.000 2.431 557 Q HA 0.192 4.529 4.340 -0.004 0.000 0.244 557 Q C -0.250 175.286 176.000 -0.773 0.000 0.880 557 Q CA 0.331 55.933 55.803 -0.334 0.000 0.954 557 Q CB 0.772 29.381 28.738 -0.215 0.000 1.105 557 Q HN 0.240 nan 8.270 nan 0.000 0.558 558 F N 2.010 121.872 119.950 -0.147 0.000 2.902 558 F HA 0.363 4.887 4.527 -0.004 0.000 0.368 558 F C -2.298 173.522 175.800 0.032 0.000 1.202 558 F CA -2.251 55.568 58.000 -0.300 0.000 1.109 558 F CB 1.533 40.102 39.000 -0.717 0.000 1.418 558 F HN -0.143 nan 8.300 nan 0.000 0.527 559 P HA 0.173 nan 4.420 nan 0.000 0.276 559 P C -0.541 176.979 177.300 0.366 0.000 1.244 559 P CA -0.506 62.743 63.100 0.249 0.000 0.801 559 P CB 0.950 32.745 31.700 0.159 0.000 1.006 560 E N 0.379 120.768 120.200 0.316 0.000 2.534 560 E HA 0.220 4.567 4.350 -0.004 0.000 0.264 560 E C 1.394 178.176 176.600 0.304 0.000 0.981 560 E CA 0.513 57.116 56.400 0.338 0.000 0.948 560 E CB -1.159 28.636 29.700 0.158 0.000 0.934 560 E HN 0.848 nan 8.360 nan 0.000 0.459 561 G N 1.510 110.518 108.800 0.345 0.000 2.205 561 G HA2 -0.358 3.600 3.960 -0.004 0.000 0.261 561 G HA3 -0.358 3.600 3.960 -0.004 0.000 0.261 561 G C 0.112 175.137 174.900 0.209 0.000 0.980 561 G CA -0.080 45.163 45.100 0.237 0.000 0.632 561 G HN 0.664 nan 8.290 nan 0.000 0.533 562 F N 1.764 121.753 119.950 0.066 0.000 2.647 562 F HA 0.350 4.874 4.527 -0.004 0.000 0.363 562 F C 0.609 176.294 175.800 -0.192 0.000 1.130 562 F CA 0.401 58.319 58.000 -0.137 0.000 1.351 562 F CB 0.619 39.431 39.000 -0.313 0.000 1.026 562 F HN 0.146 nan 8.300 nan 0.000 0.607 563 Q N 6.560 125.809 119.800 -0.918 0.000 2.390 563 Q HA 0.236 4.574 4.340 -0.004 0.000 0.249 563 Q C -1.205 174.525 176.000 -0.451 0.000 0.996 563 Q CA -0.161 55.351 55.803 -0.485 0.000 0.899 563 Q CB 0.737 29.259 28.738 -0.360 0.000 1.216 563 Q HN 0.496 nan 8.270 nan 0.000 0.465 564 F N 1.042 121.090 119.950 0.164 0.000 2.404 564 F HA 0.155 4.680 4.527 -0.004 0.000 0.345 564 F C 0.846 176.785 175.800 0.231 0.000 1.110 564 F CA -0.777 57.439 58.000 0.360 0.000 1.130 564 F CB 0.958 40.121 39.000 0.271 0.000 1.129 564 F HN 0.263 nan 8.300 nan 0.000 0.500 565 D N 2.271 122.920 120.400 0.415 0.000 2.347 565 D HA 0.195 4.833 4.640 -0.004 0.000 0.235 565 D C 0.796 177.256 176.300 0.267 0.000 1.149 565 D CA 0.101 54.243 54.000 0.236 0.000 0.850 565 D CB 1.065 41.938 40.800 0.123 0.000 1.061 565 D HN 0.529 nan 8.370 nan 0.000 0.487 566 T N 2.252 116.930 114.554 0.206 0.000 2.261 566 T HA -0.244 4.104 4.350 -0.004 0.000 0.201 566 T C 0.782 175.568 174.700 0.142 0.000 1.646 566 T CA 1.590 63.793 62.100 0.173 0.000 1.326 566 T CB -0.328 68.604 68.868 0.106 0.000 0.876 566 T HN 0.616 nan 8.240 nan 0.000 0.378 567 D N 1.771 122.225 120.400 0.091 0.000 2.396 567 D HA 0.182 4.819 4.640 -0.004 0.000 0.255 567 D C -0.252 176.071 176.300 0.039 0.000 1.224 567 D CA 0.049 54.087 54.000 0.065 0.000 0.894 567 D CB -0.758 40.071 40.800 0.049 0.000 0.939 567 D HN 0.466 nan 8.370 nan 0.000 0.506 568 D N -0.148 120.273 120.400 0.035 0.000 2.896 568 D HA 0.237 4.874 4.640 -0.004 0.000 0.241 568 D C -0.073 176.185 176.300 -0.071 0.000 1.188 568 D CA -1.007 52.990 54.000 -0.005 0.000 0.879 568 D CB 2.161 42.969 40.800 0.013 0.000 1.553 568 D HN -0.057 nan 8.370 nan 0.000 0.515 569 V N 2.613 122.467 119.914 -0.101 0.000 2.872 569 V HA 0.199 4.317 4.120 -0.004 0.000 0.302 569 V C 0.414 176.411 176.094 -0.161 0.000 1.166 569 V CA 0.572 62.766 62.300 -0.175 0.000 1.298 569 V CB 0.796 32.560 31.823 -0.098 0.000 0.894 569 V HN 0.896 nan 8.190 nan 0.000 0.509 570 N N 2.045 120.585 118.700 -0.267 0.000 2.251 570 N HA 0.106 4.844 4.740 -0.004 0.000 0.323 570 N C -0.356 175.259 175.510 0.176 0.000 0.966 570 N CA 0.487 53.527 53.050 -0.017 0.000 0.656 570 N CB 0.250 38.817 38.487 0.134 0.000 2.147 570 N HN 0.833 nan 8.380 nan 0.000 0.877 571 F N 0.788 120.897 119.950 0.265 0.000 2.603 571 F HA 0.869 5.394 4.527 -0.004 0.000 0.317 571 F C -2.327 173.562 175.800 0.148 0.000 1.066 571 F CA -2.259 55.906 58.000 0.275 0.000 0.941 571 F CB -0.348 38.807 39.000 0.257 0.000 1.291 571 F HN -0.195 nan 8.300 nan 0.000 0.472 572 P HA 0.029 nan 4.420 nan 0.000 0.269 572 P C -0.224 177.184 177.300 0.181 0.000 1.200 572 P CA 0.108 63.328 63.100 0.200 0.000 0.779 572 P CB 1.409 33.211 31.700 0.170 0.000 0.841 573 L N -0.773 120.513 121.223 0.105 0.000 3.048 573 L HA 0.114 4.452 4.340 -0.004 0.000 0.278 573 L C 0.921 177.838 176.870 0.078 0.000 1.057 573 L CA 0.008 54.906 54.840 0.097 0.000 1.073 573 L CB 0.098 42.216 42.059 0.100 0.000 1.802 573 L HN 0.421 nan 8.230 nan 0.000 0.562 574 D N -0.751 119.688 120.400 0.066 0.000 2.478 574 D HA 0.140 4.778 4.640 -0.004 0.000 0.263 574 D C -0.180 176.149 176.300 0.048 0.000 1.153 574 D CA -0.568 53.463 54.000 0.052 0.000 1.038 574 D CB 0.574 41.398 40.800 0.040 0.000 1.120 574 D HN -0.045 nan 8.370 nan 0.000 0.564 575 N N -0.890 117.834 118.700 0.040 0.000 2.708 575 N HA -0.165 4.573 4.740 -0.004 0.000 0.249 575 N C -0.060 175.477 175.510 0.045 0.000 1.097 575 N CA 0.459 53.533 53.050 0.040 0.000 0.710 575 N CB -1.343 37.169 38.487 0.041 0.000 1.032 575 N HN 0.470 nan 8.380 nan 0.000 0.551 576 L N -0.487 120.764 121.223 0.047 0.000 2.543 576 L HA 0.317 4.654 4.340 -0.004 0.000 0.231 576 L C 1.176 178.090 176.870 0.072 0.000 1.194 576 L CA -0.557 54.308 54.840 0.041 0.000 0.823 576 L CB 0.725 42.802 42.059 0.030 0.000 1.374 576 L HN 0.179 nan 8.230 nan 0.000 0.507 577 C N 0.953 120.308 119.300 0.091 0.000 2.264 577 C HA 0.379 4.836 4.460 -0.004 0.000 0.324 577 C C -0.016 175.060 174.990 0.143 0.000 1.267 577 C CA -0.943 58.162 59.018 0.146 0.000 1.618 577 C CB -0.691 27.169 27.740 0.200 0.000 2.278 577 C HN 0.474 nan 8.230 nan 0.000 0.499 578 F N 6.582 126.541 119.950 0.015 0.000 2.466 578 F HA 0.375 4.899 4.527 -0.004 0.000 0.363 578 F C 0.654 176.443 175.800 -0.019 0.000 1.109 578 F CA -0.038 57.968 58.000 0.010 0.000 1.161 578 F CB 0.944 39.953 39.000 0.015 0.000 1.117 578 F HN 0.494 nan 8.300 nan 0.000 0.539 579 V N 5.218 124.814 119.914 -0.531 0.000 2.825 579 V HA 0.416 4.533 4.120 -0.004 0.000 0.246 579 V C 1.220 177.024 176.094 -0.484 0.000 1.068 579 V CA 0.792 62.826 62.300 -0.443 0.000 1.088 579 V CB -0.655 30.853 31.823 -0.525 0.000 0.733 579 V HN 1.046 nan 8.190 nan 0.000 0.468 580 G N -0.729 107.555 108.800 -0.860 0.000 2.315 580 G HA2 0.449 4.406 3.960 -0.004 0.000 0.294 580 G HA3 0.449 4.406 3.960 -0.004 0.000 0.294 580 G C -2.053 172.838 174.900 -0.016 0.000 1.300 580 G CA -0.813 44.094 45.100 -0.321 0.000 0.843 580 G HN 0.042 nan 8.290 nan 0.000 0.527 581 L N 0.062 121.488 121.223 0.340 0.000 2.362 581 L HA 0.765 5.103 4.340 -0.004 0.000 0.271 581 L C -0.478 176.539 176.870 0.245 0.000 1.002 581 L CA -0.889 54.202 54.840 0.418 0.000 0.818 581 L CB 2.144 44.523 42.059 0.535 0.000 1.298 581 L HN 0.429 nan 8.230 nan 0.000 0.420 582 I N 1.660 122.384 120.570 0.257 0.000 2.534 582 I HA 0.319 4.486 4.170 -0.004 0.000 0.288 582 I C -0.553 175.704 176.117 0.234 0.000 1.077 582 I CA -0.352 61.038 61.300 0.151 0.000 1.051 582 I CB 2.398 40.342 38.000 -0.094 0.000 1.234 582 I HN 0.587 nan 8.210 nan 0.000 0.425 583 S N 7.153 122.973 115.700 0.201 0.000 2.472 583 S HA 0.876 5.343 4.470 -0.004 0.000 0.303 583 S C -0.534 174.167 174.600 0.169 0.000 1.099 583 S CA -0.806 57.503 58.200 0.182 0.000 1.077 583 S CB 1.883 65.176 63.200 0.155 0.000 1.031 583 S HN 0.655 nan 8.310 nan 0.000 0.487 584 M N 2.584 122.270 119.600 0.142 0.000 2.690 584 M HA 0.800 5.278 4.480 -0.004 0.000 0.302 584 M C -1.137 175.220 176.300 0.096 0.000 1.234 584 M CA -0.961 54.411 55.300 0.120 0.000 0.853 584 M CB 1.861 34.527 32.600 0.111 0.000 1.748 584 M HN 0.798 nan 8.290 nan 0.000 0.469 585 I N -0.157 120.461 120.570 0.080 0.000 3.244 585 I HA 0.325 4.493 4.170 -0.004 0.000 0.314 585 I C -1.869 174.274 176.117 0.044 0.000 1.342 585 I CA -0.479 60.857 61.300 0.060 0.000 0.925 585 I CB 2.739 40.776 38.000 0.061 0.000 1.321 585 I HN 0.899 nan 8.210 nan 0.000 0.500 586 D N 4.768 125.185 120.400 0.029 0.000 2.485 586 D HA 0.383 5.021 4.640 -0.004 0.000 0.221 586 D C -2.395 173.911 176.300 0.009 0.000 1.112 586 D CA -2.001 52.008 54.000 0.014 0.000 0.911 586 D CB 0.842 41.644 40.800 0.003 0.000 1.019 586 D HN 0.100 nan 8.370 nan 0.000 0.516 587 P HA 0.277 nan 4.420 nan 0.000 0.274 587 P C -2.745 174.550 177.300 -0.008 0.000 1.237 587 P CA -1.517 61.590 63.100 0.012 0.000 0.793 587 P CB 0.565 32.277 31.700 0.020 0.000 0.977 588 P HA 0.215 nan 4.420 nan 0.000 0.274 588 P C 0.469 177.757 177.300 -0.020 0.000 1.231 588 P CA -0.036 63.047 63.100 -0.028 0.000 0.790 588 P CB 0.460 32.149 31.700 -0.017 0.000 0.951 589 R N 1.401 121.882 120.500 -0.032 0.000 2.863 589 R HA 0.164 4.502 4.340 -0.004 0.000 0.273 589 R C 1.620 177.927 176.300 0.011 0.000 1.057 589 R CA 0.148 56.243 56.100 -0.008 0.000 1.191 589 R CB -0.015 30.284 30.300 -0.001 0.000 1.104 589 R HN 0.508 nan 8.270 nan 0.000 0.519 590 A N 1.519 124.349 122.820 0.017 0.000 1.859 590 A HA -0.279 4.038 4.320 -0.004 0.000 0.218 590 A C 2.153 179.756 177.584 0.030 0.000 1.209 590 A CA 2.447 54.495 52.037 0.017 0.000 0.639 590 A CB -1.043 17.965 19.000 0.014 0.000 0.835 590 A HN 0.846 nan 8.150 nan 0.000 0.450 591 A N -0.907 121.943 122.820 0.050 0.000 1.855 591 A HA 0.033 4.350 4.320 -0.004 0.000 0.215 591 A C 2.165 179.813 177.584 0.106 0.000 1.191 591 A CA 1.911 53.991 52.037 0.071 0.000 0.613 591 A CB -1.286 17.766 19.000 0.085 0.000 0.829 591 A HN 0.667 nan 8.150 nan 0.000 0.442 592 V N 0.671 120.672 119.914 0.145 0.000 2.295 592 V HA -0.341 3.777 4.120 -0.004 0.000 0.262 592 V C 0.098 176.258 176.094 0.111 0.000 1.098 592 V CA 2.928 65.326 62.300 0.163 0.000 1.095 592 V CB -2.166 29.646 31.823 -0.018 0.000 0.704 592 V HN 0.386 nan 8.190 nan 0.000 0.454 593 P HA -0.220 nan 4.420 nan 0.000 0.210 593 P C 1.258 178.588 177.300 0.050 0.000 1.151 593 P CA 2.363 65.488 63.100 0.042 0.000 0.949 593 P CB -0.198 31.519 31.700 0.029 0.000 0.786 594 D N -1.591 118.837 120.400 0.047 0.000 2.301 594 D HA 0.049 4.687 4.640 -0.004 0.000 0.206 594 D C 1.728 178.054 176.300 0.044 0.000 0.979 594 D CA 0.989 55.011 54.000 0.037 0.000 0.874 594 D CB -1.304 39.509 40.800 0.021 0.000 0.968 594 D HN 0.118 nan 8.370 nan 0.000 0.510 595 A N 0.870 123.728 122.820 0.063 0.000 2.032 595 A HA -0.111 4.207 4.320 -0.004 0.000 0.221 595 A C 2.356 179.974 177.584 0.057 0.000 1.165 595 A CA 1.588 53.651 52.037 0.043 0.000 0.645 595 A CB -0.787 18.252 19.000 0.066 0.000 0.807 595 A HN 0.202 nan 8.150 nan 0.000 0.453 596 V N -0.409 119.577 119.914 0.120 0.000 2.283 596 V HA -0.122 3.995 4.120 -0.004 0.000 0.243 596 V C 2.862 178.990 176.094 0.056 0.000 1.039 596 V CA 1.818 64.192 62.300 0.123 0.000 1.016 596 V CB -1.498 30.402 31.823 0.127 0.000 0.650 596 V HN 0.580 nan 8.190 nan 0.000 0.449 597 G N -0.032 108.793 108.800 0.041 0.000 2.469 597 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.220 597 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.220 597 G C 1.667 176.572 174.900 0.008 0.000 1.136 597 G CA 0.782 45.895 45.100 0.022 0.000 0.759 597 G HN 0.350 nan 8.290 nan 0.000 0.562 598 K N 0.036 120.437 120.400 0.002 0.000 2.026 598 K HA -0.062 4.256 4.320 -0.004 0.000 0.208 598 K C 2.558 179.145 176.600 -0.023 0.000 1.048 598 K CA 0.969 57.247 56.287 -0.015 0.000 0.929 598 K CB -0.925 31.559 32.500 -0.027 0.000 0.713 598 K HN 0.351 nan 8.250 nan 0.000 0.439 599 C N 0.440 119.726 119.300 -0.023 0.000 2.419 599 C HA -0.037 4.421 4.460 -0.004 0.000 0.283 599 C C 2.736 177.717 174.990 -0.015 0.000 1.373 599 C CA 0.473 59.474 59.018 -0.029 0.000 1.781 599 C CB -0.799 26.927 27.740 -0.024 0.000 1.886 599 C HN 0.419 nan 8.230 nan 0.000 0.520 600 R N 0.313 120.811 120.500 -0.003 0.000 2.080 600 R HA -0.048 4.290 4.340 -0.004 0.000 0.222 600 R C 2.362 178.657 176.300 -0.008 0.000 1.107 600 R CA 1.242 57.342 56.100 -0.001 0.000 0.980 600 R CB -0.275 30.029 30.300 0.008 0.000 0.879 600 R HN 0.422 nan 8.270 nan 0.000 0.439 601 S N 0.861 116.555 115.700 -0.010 0.000 2.402 601 S HA -0.170 4.298 4.470 -0.004 0.000 0.233 601 S C 1.543 176.132 174.600 -0.018 0.000 1.030 601 S CA 1.417 59.609 58.200 -0.013 0.000 1.003 601 S CB -0.044 63.147 63.200 -0.014 0.000 0.813 601 S HN 0.426 nan 8.310 nan 0.000 0.477 602 A N 0.296 123.102 122.820 -0.023 0.000 2.532 602 A HA 0.568 4.885 4.320 -0.004 0.000 0.273 602 A C 1.519 179.085 177.584 -0.030 0.000 1.342 602 A CA 0.366 52.385 52.037 -0.031 0.000 0.929 602 A CB -1.042 17.934 19.000 -0.041 0.000 1.051 602 A HN 0.692 nan 8.150 nan 0.000 0.521 603 G N -0.115 108.672 108.800 -0.022 0.000 2.219 603 G HA2 -0.295 3.663 3.960 -0.004 0.000 0.271 603 G HA3 -0.295 3.663 3.960 -0.004 0.000 0.271 603 G C 0.302 175.190 174.900 -0.020 0.000 0.991 603 G CA 0.799 45.887 45.100 -0.020 0.000 0.685 603 G HN 0.579 nan 8.290 nan 0.000 0.531 604 I N 0.338 120.895 120.570 -0.022 0.000 2.588 604 I HA 0.197 4.364 4.170 -0.004 0.000 0.283 604 I C 0.884 177.000 176.117 -0.002 0.000 1.119 604 I CA -0.042 61.246 61.300 -0.019 0.000 1.419 604 I CB 1.024 39.008 38.000 -0.026 0.000 1.394 604 I HN 0.054 nan 8.210 nan 0.000 0.562 605 K N 5.787 126.189 120.400 0.004 0.000 2.118 605 K HA 0.628 4.946 4.320 -0.004 0.000 0.267 605 K C -0.856 175.764 176.600 0.033 0.000 0.991 605 K CA -0.577 55.724 56.287 0.022 0.000 0.916 605 K CB 1.432 33.949 32.500 0.027 0.000 1.041 605 K HN 0.489 nan 8.250 nan 0.000 0.455 606 V N 0.485 120.428 119.914 0.049 0.000 3.126 606 V HA 0.725 4.843 4.120 -0.004 0.000 0.314 606 V C -0.478 175.662 176.094 0.077 0.000 1.138 606 V CA -1.040 61.297 62.300 0.062 0.000 1.034 606 V CB 1.584 33.449 31.823 0.071 0.000 1.075 606 V HN 0.773 nan 8.190 nan 0.000 0.442 607 I N 1.043 121.663 120.570 0.084 0.000 2.842 607 I HA 0.396 4.564 4.170 -0.004 0.000 0.297 607 I C -0.967 175.205 176.117 0.093 0.000 1.380 607 I CA -0.414 60.958 61.300 0.119 0.000 1.018 607 I CB 2.498 40.596 38.000 0.163 0.000 1.311 607 I HN 0.698 nan 8.210 nan 0.000 0.439 608 M N 5.641 125.309 119.600 0.113 0.000 2.088 608 M HA 0.517 4.994 4.480 -0.004 0.000 0.346 608 M C -1.628 174.723 176.300 0.086 0.000 1.111 608 M CA -0.611 54.728 55.300 0.064 0.000 1.017 608 M CB 1.114 33.738 32.600 0.040 0.000 1.568 608 M HN 0.338 nan 8.290 nan 0.000 0.445 609 V N 4.418 124.337 119.914 0.008 0.000 2.275 609 V HA 0.408 4.525 4.120 -0.004 0.000 0.272 609 V C -0.151 175.914 176.094 -0.048 0.000 1.028 609 V CA -0.393 61.883 62.300 -0.040 0.000 0.810 609 V CB 1.054 32.812 31.823 -0.109 0.000 1.043 609 V HN 0.890 nan 8.190 nan 0.000 0.453 610 T N 2.763 117.294 114.554 -0.037 0.000 2.893 610 T HA 0.570 4.917 4.350 -0.004 0.000 0.293 610 T C 1.021 175.663 174.700 -0.096 0.000 1.027 610 T CA 0.339 62.400 62.100 -0.065 0.000 0.988 610 T CB 1.850 70.682 68.868 -0.059 0.000 1.043 610 T HN 0.638 nan 8.240 nan 0.000 0.461 611 G N 2.349 111.080 108.800 -0.115 0.000 2.880 611 G HA2 0.103 4.061 3.960 -0.004 0.000 0.209 611 G HA3 0.103 4.061 3.960 -0.004 0.000 0.209 611 G C 0.552 175.318 174.900 -0.224 0.000 1.157 611 G CA -0.044 44.964 45.100 -0.154 0.000 0.779 611 G HN 0.692 nan 8.290 nan 0.000 0.539 612 D N 0.084 120.372 120.400 -0.188 0.000 2.372 612 D HA 0.034 4.671 4.640 -0.004 0.000 0.243 612 D C 0.158 176.291 176.300 -0.278 0.000 1.297 612 D CA -0.277 53.590 54.000 -0.222 0.000 0.958 612 D CB 0.353 41.093 40.800 -0.100 0.000 1.114 612 D HN 0.107 nan 8.370 nan 0.000 0.496 613 H N -0.112 118.942 119.070 -0.027 0.000 2.505 613 H HA 0.153 4.706 4.556 -0.004 0.000 0.355 613 H C -1.424 173.891 175.328 -0.022 0.000 1.179 613 H CA -1.513 54.524 56.048 -0.019 0.000 1.343 613 H CB 0.738 30.514 29.762 0.024 0.000 1.501 613 H HN 0.277 nan 8.280 nan 0.000 0.569 614 P HA -0.258 nan 4.420 nan 0.000 0.210 614 P C 1.707 179.038 177.300 0.052 0.000 1.151 614 P CA 1.430 64.576 63.100 0.077 0.000 0.949 614 P CB 0.120 31.901 31.700 0.134 0.000 0.786 615 I N -1.321 119.282 120.570 0.055 0.000 2.132 615 I HA -0.335 3.833 4.170 -0.004 0.000 0.238 615 I C 1.998 178.124 176.117 0.014 0.000 1.012 615 I CA 2.691 64.003 61.300 0.021 0.000 1.288 615 I CB -2.735 35.273 38.000 0.012 0.000 0.997 615 I HN 0.060 nan 8.210 nan 0.000 0.402 616 T N 1.673 116.246 114.554 0.031 0.000 2.580 616 T HA -0.160 4.187 4.350 -0.004 0.000 0.265 616 T C 2.156 176.859 174.700 0.004 0.000 1.063 616 T CA 2.365 64.476 62.100 0.019 0.000 1.170 616 T CB -0.748 68.140 68.868 0.034 0.000 0.863 616 T HN 0.564 nan 8.240 nan 0.000 0.418 617 A N 1.520 124.342 122.820 0.004 0.000 1.915 617 A HA -0.278 4.039 4.320 -0.004 0.000 0.220 617 A C 2.235 179.812 177.584 -0.011 0.000 1.198 617 A CA 2.473 54.504 52.037 -0.010 0.000 0.647 617 A CB -0.688 18.304 19.000 -0.013 0.000 0.825 617 A HN 0.528 nan 8.150 nan 0.000 0.456 618 K N -0.887 119.507 120.400 -0.010 0.000 1.991 618 K HA 0.013 4.330 4.320 -0.004 0.000 0.207 618 K C 2.271 178.860 176.600 -0.019 0.000 1.045 618 K CA 1.082 57.358 56.287 -0.018 0.000 0.937 618 K CB -0.370 32.117 32.500 -0.021 0.000 0.720 618 K HN 0.362 nan 8.250 nan 0.000 0.438 619 A N 1.432 124.241 122.820 -0.018 0.000 1.986 619 A HA -0.187 4.130 4.320 -0.004 0.000 0.220 619 A C 2.041 179.616 177.584 -0.016 0.000 1.171 619 A CA 1.378 53.403 52.037 -0.021 0.000 0.640 619 A CB -0.523 18.462 19.000 -0.024 0.000 0.811 619 A HN 0.359 nan 8.150 nan 0.000 0.451 620 I N -0.720 119.841 120.570 -0.014 0.000 2.500 620 I HA -0.106 4.061 4.170 -0.004 0.000 0.252 620 I C 2.800 178.906 176.117 -0.018 0.000 1.142 620 I CA 1.142 62.433 61.300 -0.016 0.000 1.451 620 I CB -1.189 36.798 38.000 -0.021 0.000 1.093 620 I HN 0.368 nan 8.210 nan 0.000 0.430 621 A N 1.018 123.827 122.820 -0.017 0.000 1.858 621 A HA -0.217 4.100 4.320 -0.004 0.000 0.216 621 A C 2.282 179.860 177.584 -0.011 0.000 1.190 621 A CA 1.486 53.514 52.037 -0.014 0.000 0.617 621 A CB -0.471 18.520 19.000 -0.014 0.000 0.827 621 A HN 0.328 nan 8.150 nan 0.000 0.443 622 K N -0.757 119.635 120.400 -0.013 0.000 2.103 622 K HA -0.122 4.196 4.320 -0.004 0.000 0.207 622 K C 2.089 178.687 176.600 -0.005 0.000 1.048 622 K CA 1.105 57.386 56.287 -0.011 0.000 0.930 622 K CB -0.506 31.985 32.500 -0.016 0.000 0.716 622 K HN 0.487 nan 8.250 nan 0.000 0.444 623 G N 1.522 110.320 108.800 -0.005 0.000 2.442 623 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.219 623 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.219 623 G C 1.223 176.126 174.900 0.004 0.000 1.141 623 G CA 1.129 46.230 45.100 0.002 0.000 0.763 623 G HN 0.279 nan 8.290 nan 0.000 0.554 624 V N -2.644 117.270 119.914 0.001 0.000 2.993 624 V HA 0.668 4.785 4.120 -0.004 0.000 0.377 624 V C 1.553 177.658 176.094 0.018 0.000 1.318 624 V CA 0.013 62.318 62.300 0.008 0.000 1.312 624 V CB -0.533 31.288 31.823 -0.004 0.000 1.342 624 V HN 0.872 nan 8.190 nan 0.000 0.544 625 G N 1.195 110.003 108.800 0.013 0.000 2.451 625 G HA2 -0.371 3.587 3.960 -0.004 0.000 0.253 625 G HA3 -0.371 3.587 3.960 -0.004 0.000 0.253 625 G C 0.857 175.765 174.900 0.014 0.000 1.033 625 G CA 0.718 45.827 45.100 0.015 0.000 0.633 625 G HN 0.448 nan 8.290 nan 0.000 0.537 626 I N 0.859 121.439 120.570 0.017 0.000 2.358 626 I HA -0.134 4.034 4.170 -0.004 0.000 0.257 626 I C 1.425 177.547 176.117 0.009 0.000 1.123 626 I CA 1.576 62.886 61.300 0.018 0.000 1.393 626 I CB -0.667 37.341 38.000 0.014 0.000 1.073 626 I HN 0.396 nan 8.210 nan 0.000 0.437 627 I N -1.503 119.067 120.570 0.000 0.000 2.656 627 I HA 0.147 4.315 4.170 -0.004 0.000 0.292 627 I C 0.513 176.625 176.117 -0.008 0.000 1.144 627 I CA -0.241 61.054 61.300 -0.009 0.000 1.038 627 I CB 2.142 40.130 38.000 -0.020 0.000 1.244 627 I HN -0.239 nan 8.210 nan 0.000 0.420 628 S N 3.003 118.698 115.700 -0.009 0.000 2.967 628 S HA 0.334 4.801 4.470 -0.004 0.000 0.167 628 S C -0.427 174.166 174.600 -0.012 0.000 0.696 628 S CA -0.094 58.102 58.200 -0.008 0.000 0.874 628 S CB 0.307 63.505 63.200 -0.004 0.000 0.718 628 S HN 0.587 nan 8.310 nan 0.000 0.634 629 E N -0.278 119.914 120.200 -0.012 0.000 2.224 629 E HA 0.619 4.966 4.350 -0.004 0.000 0.265 629 E C -0.352 176.238 176.600 -0.016 0.000 0.878 629 E CA -0.033 56.358 56.400 -0.014 0.000 0.759 629 E CB 1.656 31.350 29.700 -0.011 0.000 1.164 629 E HN 0.719 nan 8.360 nan 0.000 0.414 630 G N 3.006 111.793 108.800 -0.022 0.000 2.321 630 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.177 630 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.177 630 G C -0.351 174.526 174.900 -0.039 0.000 1.072 630 G CA -0.585 44.500 45.100 -0.024 0.000 0.768 630 G HN 0.537 nan 8.290 nan 0.000 0.481 631 N N -0.001 118.674 118.700 -0.042 0.000 2.454 631 N HA 0.169 4.907 4.740 -0.004 0.000 0.254 631 N C 1.361 176.837 175.510 -0.056 0.000 1.228 631 N CA -0.063 52.953 53.050 -0.057 0.000 0.900 631 N CB 0.719 39.177 38.487 -0.049 0.000 1.089 631 N HN 0.197 nan 8.380 nan 0.000 0.449 632 E N 2.137 122.292 120.200 -0.076 0.000 1.998 632 E HA -0.135 4.213 4.350 -0.004 0.000 0.195 632 E C 1.125 177.699 176.600 -0.045 0.000 0.994 632 E CA 1.793 58.155 56.400 -0.064 0.000 0.835 632 E CB -0.842 28.804 29.700 -0.091 0.000 0.786 632 E HN 0.748 nan 8.360 nan 0.000 0.467 633 T N 1.656 116.182 114.554 -0.047 0.000 3.003 633 T HA -0.134 4.213 4.350 -0.004 0.000 0.270 633 T C 1.781 176.463 174.700 -0.030 0.000 1.153 633 T CA 1.324 63.403 62.100 -0.034 0.000 1.089 633 T CB -0.509 68.339 68.868 -0.033 0.000 0.838 633 T HN 0.278 nan 8.240 nan 0.000 0.562 634 V N -0.596 119.298 119.914 -0.032 0.000 2.374 634 V HA 0.092 4.210 4.120 -0.004 0.000 0.241 634 V C 2.313 178.393 176.094 -0.024 0.000 1.034 634 V CA 0.794 63.076 62.300 -0.029 0.000 1.037 634 V CB -0.525 31.280 31.823 -0.031 0.000 0.682 634 V HN 0.090 nan 8.190 nan 0.000 0.463 635 E N 0.853 121.040 120.200 -0.022 0.000 2.219 635 E HA -0.245 4.103 4.350 -0.004 0.000 0.198 635 E C 2.009 178.600 176.600 -0.015 0.000 0.998 635 E CA 1.554 57.944 56.400 -0.017 0.000 0.818 635 E CB -0.609 29.083 29.700 -0.014 0.000 0.741 635 E HN 0.685 nan 8.360 nan 0.000 0.477 636 D N 0.011 120.401 120.400 -0.017 0.000 2.203 636 D HA -0.185 4.452 4.640 -0.004 0.000 0.199 636 D C 1.623 177.914 176.300 -0.014 0.000 0.997 636 D CA 0.902 54.893 54.000 -0.015 0.000 0.863 636 D CB 0.222 41.011 40.800 -0.017 0.000 0.928 636 D HN 0.230 nan 8.370 nan 0.000 0.458 637 I N 0.104 120.664 120.570 -0.016 0.000 3.172 637 I HA 0.030 4.198 4.170 -0.004 0.000 0.278 637 I C 2.134 178.242 176.117 -0.014 0.000 1.174 637 I CA 0.225 61.515 61.300 -0.016 0.000 1.445 637 I CB -1.085 36.904 38.000 -0.019 0.000 1.175 637 I HN -0.221 nan 8.210 nan 0.000 0.447 638 A N 1.114 123.925 122.820 -0.015 0.000 2.253 638 A HA 0.413 4.731 4.320 -0.004 0.000 0.203 638 A C 1.245 178.823 177.584 -0.011 0.000 1.272 638 A CA 1.319 53.347 52.037 -0.014 0.000 0.847 638 A CB -0.585 18.406 19.000 -0.015 0.000 0.772 638 A HN 0.497 nan 8.150 nan 0.000 0.494 639 A N -1.121 121.693 122.820 -0.010 0.000 3.289 639 A HA 0.414 4.732 4.320 -0.004 0.000 0.115 639 A C -0.343 177.237 177.584 -0.007 0.000 1.427 639 A CA -0.595 51.438 52.037 -0.007 0.000 2.606 639 A CB -0.132 18.864 19.000 -0.006 0.000 2.953 639 A HN 0.041 nan 8.150 nan 0.000 1.262 640 R N 1.961 122.457 120.500 -0.006 0.000 4.647 640 R HA 0.066 4.404 4.340 -0.004 0.000 0.160 640 R C -0.328 175.969 176.300 -0.006 0.000 2.111 640 R CA 0.028 56.125 56.100 -0.005 0.000 1.600 640 R CB -1.920 28.378 30.300 -0.003 0.000 1.317 640 R HN 0.534 nan 8.270 nan 0.000 0.797 641 L N 1.419 122.637 121.223 -0.007 0.000 6.221 641 L HA -0.271 4.067 4.340 -0.004 0.000 0.342 641 L C 0.445 177.310 176.870 -0.008 0.000 1.548 641 L CA 0.974 55.809 54.840 -0.008 0.000 0.914 641 L CB -1.158 40.896 42.059 -0.008 0.000 1.572 641 L HN 0.423 nan 8.230 nan 0.000 0.303 642 N N 0.424 119.119 118.700 -0.009 0.000 3.387 642 N HA 0.433 5.171 4.740 -0.004 0.000 0.294 642 N C 0.179 175.683 175.510 -0.009 0.000 1.519 642 N CA -0.689 52.356 53.050 -0.008 0.000 0.875 642 N CB 1.152 39.635 38.487 -0.006 0.000 1.657 642 N HN -0.031 nan 8.380 nan 0.000 0.527 643 I N 0.219 120.784 120.570 -0.009 0.000 3.534 643 I HA 0.219 4.386 4.170 -0.004 0.000 0.251 643 I C -1.341 174.772 176.117 -0.006 0.000 1.136 643 I CA 0.168 61.463 61.300 -0.009 0.000 1.475 643 I CB -1.817 36.176 38.000 -0.011 0.000 1.526 643 I HN 0.291 nan 8.210 nan 0.000 0.454 644 P HA 0.017 nan 4.420 nan 0.000 0.206 644 P C 1.006 178.305 177.300 -0.001 0.000 1.093 644 P CA 1.531 64.629 63.100 -0.003 0.000 0.703 644 P CB 0.009 31.707 31.700 -0.004 0.000 0.622 645 V N -3.397 116.517 119.914 -0.001 0.000 0.693 645 V HA -0.348 3.770 4.120 -0.004 0.000 0.092 645 V C 1.084 177.179 176.094 0.002 0.000 0.769 645 V CA 2.030 64.330 62.300 -0.000 0.000 3.096 645 V CB -2.424 29.398 31.823 -0.001 0.000 0.185 645 V HN 0.326 nan 8.190 nan 0.000 0.064 646 S N -0.038 115.663 115.700 0.002 0.000 2.805 646 S HA 0.016 4.484 4.470 -0.004 0.000 0.230 646 S C 0.945 175.548 174.600 0.005 0.000 0.968 646 S CA 1.357 59.559 58.200 0.004 0.000 0.976 646 S CB -0.191 63.010 63.200 0.003 0.000 0.787 646 S HN 0.853 nan 8.310 nan 0.000 0.533 647 Q N 1.269 121.072 119.800 0.004 0.000 2.453 647 Q HA 0.127 4.465 4.340 -0.004 0.000 0.192 647 Q C 2.147 178.154 176.000 0.010 0.000 0.965 647 Q CA 1.037 56.843 55.803 0.004 0.000 0.836 647 Q CB -0.761 27.976 28.738 -0.001 0.000 1.069 647 Q HN 0.222 nan 8.270 nan 0.000 0.594 648 V N 1.134 121.053 119.914 0.008 0.000 2.241 648 V HA -0.431 3.687 4.120 -0.004 0.000 0.256 648 V C 1.801 177.910 176.094 0.025 0.000 1.060 648 V CA 2.589 64.897 62.300 0.014 0.000 1.065 648 V CB -1.712 30.115 31.823 0.007 0.000 0.685 648 V HN 0.476 nan 8.190 nan 0.000 0.467 649 N N 1.235 119.947 118.700 0.020 0.000 2.027 649 N HA -0.165 4.573 4.740 -0.004 0.000 0.200 649 N C 0.177 175.711 175.510 0.039 0.000 1.042 649 N CA 2.856 55.922 53.050 0.026 0.000 0.871 649 N CB -2.145 36.353 38.487 0.018 0.000 1.063 649 N HN 0.460 nan 8.380 nan 0.000 0.438 650 P HA -0.137 nan 4.420 nan 0.000 0.218 650 P C -0.097 177.232 177.300 0.049 0.000 1.147 650 P CA 1.183 64.303 63.100 0.034 0.000 0.827 650 P CB -0.071 31.642 31.700 0.022 0.000 0.778 651 R N -1.555 118.981 120.500 0.059 0.000 3.591 651 R HA -0.208 4.129 4.340 -0.004 0.000 0.268 651 R C 0.113 176.454 176.300 0.067 0.000 1.102 651 R CA 0.591 56.745 56.100 0.089 0.000 0.732 651 R CB -2.361 28.025 30.300 0.143 0.000 1.117 651 R HN 0.370 nan 8.270 nan 0.000 0.472 652 D N 0.184 120.607 120.400 0.038 0.000 2.411 652 D HA -0.049 4.589 4.640 -0.004 0.000 0.226 652 D C 0.696 177.008 176.300 0.020 0.000 0.988 652 D CA 1.260 55.275 54.000 0.025 0.000 0.938 652 D CB 0.140 40.948 40.800 0.013 0.000 0.883 652 D HN 0.536 nan 8.370 nan 0.000 0.525 653 A N 0.864 123.698 122.820 0.024 0.000 2.260 653 A HA 0.209 4.527 4.320 -0.004 0.000 0.314 653 A C 1.212 178.806 177.584 0.016 0.000 1.257 653 A CA -0.624 51.413 52.037 0.000 0.000 0.871 653 A CB 1.052 20.031 19.000 -0.034 0.000 1.166 653 A HN -0.217 nan 8.150 nan 0.000 0.522 654 K N 1.043 121.448 120.400 0.008 0.000 2.288 654 K HA 0.108 4.425 4.320 -0.004 0.000 0.201 654 K C 0.723 177.320 176.600 -0.004 0.000 1.048 654 K CA 1.330 57.638 56.287 0.035 0.000 0.956 654 K CB -0.008 32.503 32.500 0.020 0.000 0.746 654 K HN 0.800 nan 8.250 nan 0.000 0.461 655 A N 0.387 123.146 122.820 -0.102 0.000 2.515 655 A HA 0.624 4.942 4.320 -0.004 0.000 0.296 655 A C -0.651 176.764 177.584 -0.281 0.000 1.094 655 A CA -0.690 51.230 52.037 -0.194 0.000 0.718 655 A CB 1.300 20.241 19.000 -0.099 0.000 1.307 655 A HN 0.328 nan 8.150 nan 0.000 0.408 656 C N -0.964 118.131 119.300 -0.341 0.000 3.318 656 C HA 0.859 5.316 4.460 -0.004 0.000 0.322 656 C C -1.112 173.736 174.990 -0.238 0.000 1.398 656 C CA -0.743 58.099 59.018 -0.293 0.000 1.339 656 C CB 0.802 28.304 27.740 -0.396 0.000 1.668 656 C HN 0.997 nan 8.230 nan 0.000 0.462 657 V N 1.521 121.331 119.914 -0.174 0.000 2.378 657 V HA 0.606 4.723 4.120 -0.004 0.000 0.288 657 V C -0.187 175.828 176.094 -0.132 0.000 1.016 657 V CA -0.359 61.858 62.300 -0.139 0.000 0.840 657 V CB 1.078 32.861 31.823 -0.067 0.000 0.994 657 V HN 0.810 nan 8.190 nan 0.000 0.431 658 V N 4.675 124.467 119.914 -0.202 0.000 2.370 658 V HA 0.330 4.447 4.120 -0.004 0.000 0.279 658 V C 0.121 176.236 176.094 0.034 0.000 1.029 658 V CA -0.472 61.747 62.300 -0.135 0.000 0.870 658 V CB 1.169 32.771 31.823 -0.368 0.000 0.984 658 V HN 0.871 nan 8.190 nan 0.000 0.451 659 H N 3.600 122.679 119.070 0.015 0.000 2.582 659 H HA 0.206 4.761 4.556 -0.003 0.000 0.345 659 H C 1.292 176.669 175.328 0.082 0.000 1.104 659 H CA 0.624 56.704 56.048 0.054 0.000 1.390 659 H CB 1.987 31.774 29.762 0.041 0.000 1.461 659 H HN 0.711 nan 8.280 nan 0.000 0.551 660 G N 2.744 111.595 108.800 0.086 0.000 2.450 660 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.220 660 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.220 660 G C 1.611 176.661 174.900 0.250 0.000 1.130 660 G CA 0.788 45.981 45.100 0.156 0.000 0.760 660 G HN 0.600 nan 8.290 nan 0.000 0.557 661 S N 0.603 116.590 115.700 0.479 0.000 2.402 661 S HA -0.124 4.343 4.470 -0.004 0.000 0.233 661 S C 1.842 176.512 174.600 0.115 0.000 1.030 661 S CA 1.491 59.818 58.200 0.211 0.000 1.003 661 S CB -0.154 63.050 63.200 0.005 0.000 0.813 661 S HN 0.451 nan 8.310 nan 0.000 0.477 662 D N 0.540 121.022 120.400 0.136 0.000 2.277 662 D HA 0.118 4.756 4.640 -0.004 0.000 0.209 662 D C 1.810 178.165 176.300 0.092 0.000 0.970 662 D CA 0.167 54.218 54.000 0.084 0.000 0.874 662 D CB -0.193 40.648 40.800 0.069 0.000 0.982 662 D HN 0.262 nan 8.370 nan 0.000 0.504 663 L N 1.295 122.596 121.223 0.130 0.000 2.265 663 L HA -0.155 4.182 4.340 -0.004 0.000 0.215 663 L C 2.258 179.178 176.870 0.083 0.000 1.117 663 L CA 1.036 55.955 54.840 0.132 0.000 0.782 663 L CB -0.002 42.168 42.059 0.185 0.000 0.914 663 L HN -0.079 nan 8.230 nan 0.000 0.441 664 K N -0.297 120.147 120.400 0.073 0.000 2.148 664 K HA -0.160 4.157 4.320 -0.004 0.000 0.204 664 K C 0.791 177.412 176.600 0.036 0.000 1.050 664 K CA 1.411 57.727 56.287 0.048 0.000 0.942 664 K CB 0.135 32.664 32.500 0.049 0.000 0.724 664 K HN 0.283 nan 8.250 nan 0.000 0.446 665 D N 0.615 121.038 120.400 0.038 0.000 2.587 665 D HA 0.101 4.739 4.640 -0.004 0.000 0.233 665 D C -0.318 175.996 176.300 0.024 0.000 1.213 665 D CA 0.267 54.283 54.000 0.025 0.000 0.827 665 D CB 0.317 41.129 40.800 0.021 0.000 1.006 665 D HN 0.265 nan 8.370 nan 0.000 0.490 666 M N 0.047 119.665 119.600 0.030 0.000 2.598 666 M HA 0.241 4.718 4.480 -0.004 0.000 0.317 666 M C 0.515 176.826 176.300 0.018 0.000 1.179 666 M CA -0.678 54.638 55.300 0.027 0.000 0.936 666 M CB 2.272 34.900 32.600 0.046 0.000 1.713 666 M HN -0.193 nan 8.290 nan 0.000 0.460 667 T N -2.027 112.533 114.554 0.010 0.000 2.944 667 T HA 0.353 4.701 4.350 -0.004 0.000 0.284 667 T C 1.163 175.866 174.700 0.004 0.000 1.010 667 T CA -0.228 61.874 62.100 0.004 0.000 1.025 667 T CB 1.331 70.197 68.868 -0.003 0.000 1.079 667 T HN 0.836 nan 8.240 nan 0.000 0.516 668 S N 1.648 117.349 115.700 0.001 0.000 2.434 668 S HA -0.378 4.089 4.470 -0.004 0.000 0.240 668 S C 1.775 176.376 174.600 0.001 0.000 1.052 668 S CA 2.075 60.276 58.200 0.002 0.000 1.198 668 S CB -1.428 61.770 63.200 -0.002 0.000 1.124 668 S HN 0.975 nan 8.310 nan 0.000 0.426 669 E N 1.413 121.608 120.200 -0.008 0.000 2.118 669 E HA -0.267 4.081 4.350 -0.004 0.000 0.195 669 E C 2.355 178.934 176.600 -0.035 0.000 0.992 669 E CA 1.381 57.769 56.400 -0.019 0.000 0.804 669 E CB -0.645 29.041 29.700 -0.024 0.000 0.741 669 E HN 0.752 nan 8.360 nan 0.000 0.458 670 Q N 0.677 120.461 119.800 -0.028 0.000 2.112 670 Q HA -0.155 4.182 4.340 -0.004 0.000 0.206 670 Q C 2.408 178.396 176.000 -0.020 0.000 0.987 670 Q CA 1.557 57.339 55.803 -0.035 0.000 0.858 670 Q CB -0.227 28.503 28.738 -0.014 0.000 0.905 670 Q HN 0.427 nan 8.270 nan 0.000 0.420 671 L N 0.737 121.971 121.223 0.018 0.000 2.005 671 L HA -0.222 4.116 4.340 -0.004 0.000 0.207 671 L C 1.559 178.458 176.870 0.048 0.000 1.072 671 L CA 1.370 56.251 54.840 0.067 0.000 0.744 671 L CB -0.307 41.802 42.059 0.083 0.000 0.895 671 L HN 0.206 nan 8.230 nan 0.000 0.433 672 D N 0.415 120.827 120.400 0.021 0.000 2.160 672 D HA -0.264 4.374 4.640 -0.004 0.000 0.189 672 D C 1.710 178.002 176.300 -0.013 0.000 1.003 672 D CA 1.772 55.783 54.000 0.019 0.000 0.846 672 D CB -0.547 40.257 40.800 0.008 0.000 0.949 672 D HN 0.413 nan 8.370 nan 0.000 0.446 673 D N 0.162 120.487 120.400 -0.125 0.000 2.182 673 D HA -0.173 4.465 4.640 -0.004 0.000 0.193 673 D C 2.282 178.423 176.300 -0.264 0.000 0.999 673 D CA 0.920 54.696 54.000 -0.373 0.000 0.850 673 D CB -0.477 40.054 40.800 -0.448 0.000 0.994 673 D HN 0.109 nan 8.370 nan 0.000 0.450 674 I N 0.722 121.194 120.570 -0.164 0.000 2.113 674 I HA -0.268 3.900 4.170 -0.004 0.000 0.242 674 I C 2.555 178.667 176.117 -0.009 0.000 1.057 674 I CA 0.845 62.106 61.300 -0.065 0.000 1.314 674 I CB -0.837 37.190 38.000 0.044 0.000 1.022 674 I HN 0.060 nan 8.210 nan 0.000 0.408 675 L N 0.113 121.386 121.223 0.083 0.000 1.990 675 L HA -0.169 4.168 4.340 -0.004 0.000 0.213 675 L C 1.453 178.387 176.870 0.107 0.000 1.072 675 L CA 1.995 56.930 54.840 0.159 0.000 0.755 675 L CB -0.367 41.799 42.059 0.179 0.000 0.889 675 L HN 0.093 nan 8.230 nan 0.000 0.432 676 K N -1.282 119.172 120.400 0.089 0.000 3.109 676 K HA 0.145 4.462 4.320 -0.004 0.000 0.214 676 K C -0.591 176.093 176.600 0.141 0.000 1.196 676 K CA 0.020 56.365 56.287 0.097 0.000 1.115 676 K CB 0.284 32.840 32.500 0.093 0.000 1.103 676 K HN 0.264 nan 8.250 nan 0.000 0.467 677 Y N -0.320 119.803 120.300 -0.294 0.000 2.610 677 Y HA 0.054 4.602 4.550 -0.003 0.000 0.254 677 Y C -0.272 175.443 175.900 -0.307 0.000 1.110 677 Y CA -0.560 57.338 58.100 -0.337 0.000 1.238 677 Y CB 0.552 38.758 38.460 -0.425 0.000 1.322 677 Y HN 0.324 nan 8.280 nan 0.000 0.547 678 H N -4.349 114.780 119.070 0.098 0.000 3.005 678 H HA 0.428 4.982 4.556 -0.005 0.000 0.311 678 H C -0.624 174.719 175.328 0.024 0.000 1.366 678 H CA -1.598 54.473 56.048 0.039 0.000 1.210 678 H CB -0.095 29.689 29.762 0.035 0.000 1.894 678 H HN -0.143 nan 8.280 nan 0.000 0.520 679 T N 0.623 115.286 114.554 0.181 0.000 3.540 679 T HA 0.055 4.403 4.350 -0.004 0.000 0.269 679 T C 1.173 175.900 174.700 0.045 0.000 1.481 679 T CA -0.273 61.889 62.100 0.102 0.000 1.224 679 T CB 0.191 69.095 68.868 0.059 0.000 1.192 679 T HN 0.708 nan 8.240 nan 0.000 0.756 680 E N 2.986 123.197 120.200 0.019 0.000 2.051 680 E HA -0.221 4.127 4.350 -0.004 0.000 0.192 680 E C 1.255 177.836 176.600 -0.033 0.000 0.991 680 E CA 1.126 57.470 56.400 -0.093 0.000 0.799 680 E CB -0.278 29.287 29.700 -0.225 0.000 0.748 680 E HN 0.494 nan 8.360 nan 0.000 0.449 681 I N -0.264 120.325 120.570 0.031 0.000 5.761 681 I HA -0.219 3.949 4.170 -0.004 0.000 0.135 681 I C 0.054 176.219 176.117 0.081 0.000 1.816 681 I CA 0.852 62.195 61.300 0.072 0.000 2.044 681 I CB -2.591 35.437 38.000 0.047 0.000 3.387 681 I HN 0.225 nan 8.210 nan 0.000 0.171 682 V N 1.878 121.820 119.914 0.046 0.000 2.663 682 V HA 0.540 4.658 4.120 -0.004 0.000 0.286 682 V C -0.970 175.142 176.094 0.029 0.000 1.085 682 V CA -0.477 61.865 62.300 0.069 0.000 0.916 682 V CB 1.647 33.474 31.823 0.006 0.000 1.039 682 V HN 0.072 nan 8.190 nan 0.000 0.453 683 F N 5.245 125.177 119.950 -0.030 0.000 2.436 683 F HA 0.902 5.426 4.527 -0.004 0.000 0.340 683 F C 0.665 176.420 175.800 -0.076 0.000 1.113 683 F CA 0.069 58.045 58.000 -0.039 0.000 1.022 683 F CB 2.029 41.011 39.000 -0.030 0.000 1.128 683 F HN 0.661 nan 8.300 nan 0.000 0.466 684 A N 2.171 125.024 122.820 0.054 0.000 2.344 684 A HA 0.819 5.137 4.320 -0.004 0.000 0.307 684 A C -0.136 177.307 177.584 -0.234 0.000 1.151 684 A CA -1.206 50.780 52.037 -0.085 0.000 0.842 684 A CB 0.738 19.674 19.000 -0.105 0.000 1.350 684 A HN 0.745 nan 8.150 nan 0.000 0.459 685 R N -0.407 119.928 120.500 -0.274 0.000 2.533 685 R HA -0.142 4.196 4.340 -0.004 0.000 0.280 685 R C -0.402 175.777 176.300 -0.202 0.000 0.989 685 R CA 1.317 57.229 56.100 -0.313 0.000 0.864 685 R CB -1.835 28.174 30.300 -0.484 0.000 2.274 685 R HN 1.298 nan 8.270 nan 0.000 0.522 686 T N 0.243 114.719 114.554 -0.130 0.000 2.861 686 T HA 0.625 4.972 4.350 -0.004 0.000 0.287 686 T C -0.000 174.652 174.700 -0.080 0.000 1.003 686 T CA -0.359 61.692 62.100 -0.082 0.000 0.977 686 T CB 1.878 70.699 68.868 -0.077 0.000 0.996 686 T HN 0.499 nan 8.240 nan 0.000 0.448 687 S N 2.295 117.958 115.700 -0.061 0.000 2.580 687 S HA 0.348 4.815 4.470 -0.004 0.000 0.274 687 S C -1.759 172.801 174.600 -0.068 0.000 1.329 687 S CA -1.061 57.099 58.200 -0.067 0.000 1.036 687 S CB 0.713 63.881 63.200 -0.053 0.000 0.919 687 S HN 0.450 nan 8.310 nan 0.000 0.515 688 P HA -0.254 nan 4.420 nan 0.000 0.222 688 P C 1.442 178.709 177.300 -0.054 0.000 1.159 688 P CA 1.746 64.816 63.100 -0.051 0.000 0.920 688 P CB -0.061 31.622 31.700 -0.028 0.000 0.793 689 Q N -0.598 119.171 119.800 -0.051 0.000 2.096 689 Q HA -0.240 4.097 4.340 -0.004 0.000 0.208 689 Q C 2.299 178.260 176.000 -0.065 0.000 0.993 689 Q CA 1.829 57.601 55.803 -0.052 0.000 0.862 689 Q CB -1.119 27.591 28.738 -0.047 0.000 0.915 689 Q HN 0.462 nan 8.270 nan 0.000 0.416 690 Q N 0.549 120.308 119.800 -0.069 0.000 2.112 690 Q HA -0.210 4.128 4.340 -0.004 0.000 0.206 690 Q C 2.002 177.915 176.000 -0.145 0.000 0.987 690 Q CA 1.482 57.229 55.803 -0.092 0.000 0.858 690 Q CB -0.328 28.365 28.738 -0.075 0.000 0.905 690 Q HN 0.430 nan 8.270 nan 0.000 0.420 691 K N 0.822 121.142 120.400 -0.132 0.000 2.044 691 K HA -0.170 4.148 4.320 -0.004 0.000 0.210 691 K C 2.236 178.749 176.600 -0.145 0.000 1.049 691 K CA 1.335 57.530 56.287 -0.154 0.000 0.927 691 K CB -0.363 32.072 32.500 -0.108 0.000 0.713 691 K HN 0.215 nan 8.250 nan 0.000 0.443 692 L N 0.952 122.114 121.223 -0.102 0.000 1.988 692 L HA -0.145 4.192 4.340 -0.004 0.000 0.207 692 L C 2.326 179.142 176.870 -0.091 0.000 1.071 692 L CA 1.102 55.892 54.840 -0.083 0.000 0.744 692 L CB -0.335 41.689 42.059 -0.058 0.000 0.893 692 L HN 0.147 nan 8.230 nan 0.000 0.433 693 I N 0.530 121.048 120.570 -0.087 0.000 2.300 693 I HA -0.352 3.815 4.170 -0.004 0.000 0.252 693 I C 2.377 178.430 176.117 -0.107 0.000 1.119 693 I CA 1.745 62.998 61.300 -0.078 0.000 1.384 693 I CB -0.557 37.405 38.000 -0.063 0.000 1.062 693 I HN 0.436 nan 8.210 nan 0.000 0.426 694 I N -0.672 119.790 120.570 -0.180 0.000 2.163 694 I HA -0.271 3.896 4.170 -0.004 0.000 0.240 694 I C 2.456 178.470 176.117 -0.171 0.000 1.081 694 I CA 0.963 62.098 61.300 -0.275 0.000 1.353 694 I CB -0.054 37.627 38.000 -0.533 0.000 1.054 694 I HN -0.032 nan 8.210 nan 0.000 0.407 695 V N 0.878 120.707 119.914 -0.142 0.000 2.252 695 V HA -0.354 3.763 4.120 -0.004 0.000 0.249 695 V C 2.305 178.362 176.094 -0.062 0.000 1.056 695 V CA 2.120 64.366 62.300 -0.090 0.000 1.022 695 V CB -0.739 31.038 31.823 -0.076 0.000 0.641 695 V HN 0.451 nan 8.190 nan 0.000 0.445 696 E N 0.054 120.219 120.200 -0.059 0.000 2.035 696 E HA -0.278 4.069 4.350 -0.004 0.000 0.204 696 E C 2.298 178.880 176.600 -0.030 0.000 1.025 696 E CA 1.597 57.973 56.400 -0.041 0.000 0.835 696 E CB -0.721 28.956 29.700 -0.039 0.000 0.764 696 E HN 0.655 nan 8.360 nan 0.000 0.457 697 G N 0.648 109.429 108.800 -0.030 0.000 2.503 697 G HA2 -0.338 3.619 3.960 -0.004 0.000 0.221 697 G HA3 -0.338 3.619 3.960 -0.004 0.000 0.221 697 G C 1.694 176.596 174.900 0.003 0.000 1.131 697 G CA 1.241 46.337 45.100 -0.008 0.000 0.756 697 G HN 0.325 nan 8.290 nan 0.000 0.572 698 C N 0.017 119.312 119.300 -0.007 0.000 2.453 698 C HA -0.017 4.441 4.460 -0.004 0.000 0.277 698 C C 2.937 177.925 174.990 -0.004 0.000 1.262 698 C CA 0.979 60.000 59.018 0.005 0.000 1.718 698 C CB -0.981 26.757 27.740 -0.004 0.000 2.031 698 C HN 0.543 nan 8.230 nan 0.000 0.480 699 Q N 0.648 120.439 119.800 -0.016 0.000 2.050 699 Q HA -0.181 4.156 4.340 -0.004 0.000 0.202 699 Q C 2.206 178.198 176.000 -0.013 0.000 0.980 699 Q CA 1.308 57.100 55.803 -0.018 0.000 0.840 699 Q CB -0.378 28.346 28.738 -0.025 0.000 0.898 699 Q HN 0.636 nan 8.270 nan 0.000 0.424 700 R N 0.494 120.988 120.500 -0.010 0.000 2.355 700 R HA -0.090 4.248 4.340 -0.004 0.000 0.219 700 R C 0.920 177.220 176.300 -0.000 0.000 1.107 700 R CA 0.610 56.707 56.100 -0.005 0.000 1.021 700 R CB 0.124 30.421 30.300 -0.004 0.000 0.852 700 R HN 0.162 nan 8.270 nan 0.000 0.475 701 Q N -0.079 119.722 119.800 0.002 0.000 2.375 701 Q HA 0.134 4.471 4.340 -0.004 0.000 0.316 701 Q C -0.058 175.941 176.000 -0.003 0.000 0.927 701 Q CA -0.016 55.791 55.803 0.005 0.000 1.029 701 Q CB 0.987 29.734 28.738 0.015 0.000 1.202 701 Q HN 0.413 nan 8.270 nan 0.000 0.431 702 G N 1.115 109.910 108.800 -0.008 0.000 2.369 702 G HA2 -0.157 3.801 3.960 -0.004 0.000 0.286 702 G HA3 -0.157 3.801 3.960 -0.004 0.000 0.286 702 G C -0.036 174.851 174.900 -0.022 0.000 0.938 702 G CA 0.609 45.700 45.100 -0.015 0.000 1.271 702 G HN 0.552 nan 8.290 nan 0.000 0.488 703 A N 0.696 123.502 122.820 -0.024 0.000 2.530 703 A HA 0.868 5.186 4.320 -0.004 0.000 0.288 703 A C -0.362 177.198 177.584 -0.040 0.000 1.172 703 A CA -0.900 51.118 52.037 -0.032 0.000 0.733 703 A CB 1.340 20.326 19.000 -0.023 0.000 1.320 703 A HN 0.654 nan 8.150 nan 0.000 0.419 704 I N 2.429 122.970 120.570 -0.049 0.000 2.371 704 I HA 0.346 4.513 4.170 -0.004 0.000 0.282 704 I C -0.114 175.974 176.117 -0.049 0.000 1.031 704 I CA -0.365 60.901 61.300 -0.057 0.000 1.180 704 I CB 0.428 38.381 38.000 -0.079 0.000 1.336 704 I HN 0.471 nan 8.210 nan 0.000 0.467 705 V N 3.133 123.022 119.914 -0.041 0.000 2.532 705 V HA 0.968 5.086 4.120 -0.004 0.000 0.295 705 V C 0.234 176.307 176.094 -0.035 0.000 1.041 705 V CA -0.632 61.648 62.300 -0.033 0.000 0.926 705 V CB 1.496 33.302 31.823 -0.027 0.000 0.992 705 V HN 0.720 nan 8.190 nan 0.000 0.457 706 A N 3.664 126.468 122.820 -0.028 0.000 2.355 706 A HA 0.910 5.228 4.320 -0.004 0.000 0.324 706 A C -0.723 176.856 177.584 -0.008 0.000 1.117 706 A CA -0.746 51.276 52.037 -0.025 0.000 0.785 706 A CB 1.927 20.909 19.000 -0.031 0.000 1.254 706 A HN 1.160 nan 8.150 nan 0.000 0.453 707 V N 1.552 121.462 119.914 -0.007 0.000 2.588 707 V HA 0.616 4.734 4.120 -0.004 0.000 0.304 707 V C -0.090 176.017 176.094 0.022 0.000 1.042 707 V CA -0.309 61.992 62.300 0.003 0.000 0.877 707 V CB 2.217 34.029 31.823 -0.019 0.000 0.996 707 V HN 1.071 nan 8.190 nan 0.000 0.425 708 T N 1.362 115.948 114.554 0.052 0.000 2.770 708 T HA 0.850 5.198 4.350 -0.004 0.000 0.283 708 T C 0.098 174.813 174.700 0.025 0.000 0.988 708 T CA -0.336 61.815 62.100 0.085 0.000 0.957 708 T CB 1.640 70.651 68.868 0.238 0.000 0.930 708 T HN 0.994 nan 8.240 nan 0.000 0.443 709 G N 1.684 110.489 108.800 0.008 0.000 3.022 709 G HA2 0.687 4.644 3.960 -0.004 0.000 0.284 709 G HA3 0.687 4.644 3.960 -0.004 0.000 0.284 709 G C -0.704 174.180 174.900 -0.027 0.000 1.375 709 G CA -0.455 44.631 45.100 -0.023 0.000 0.902 709 G HN 0.638 nan 8.290 nan 0.000 0.538 710 D N -1.908 118.467 120.400 -0.041 0.000 2.548 710 D HA 0.164 4.802 4.640 -0.004 0.000 0.223 710 D C 1.248 177.517 176.300 -0.052 0.000 1.346 710 D CA 0.743 54.717 54.000 -0.043 0.000 1.318 710 D CB -0.475 40.298 40.800 -0.045 0.000 1.669 710 D HN 0.827 nan 8.370 nan 0.000 0.416 711 G N 1.034 109.801 108.800 -0.055 0.000 2.599 711 G HA2 0.359 4.317 3.960 -0.004 0.000 0.264 711 G HA3 0.359 4.317 3.960 -0.004 0.000 0.264 711 G C 1.016 175.874 174.900 -0.070 0.000 1.200 711 G CA 0.121 45.185 45.100 -0.060 0.000 0.896 711 G HN 0.300 nan 8.290 nan 0.000 0.536 712 V N 0.846 120.710 119.914 -0.083 0.000 2.759 712 V HA -0.137 3.980 4.120 -0.004 0.000 0.256 712 V C 2.346 178.414 176.094 -0.043 0.000 1.080 712 V CA 2.164 64.398 62.300 -0.110 0.000 1.101 712 V CB -0.772 30.950 31.823 -0.169 0.000 0.698 712 V HN 0.822 nan 8.190 nan 0.000 0.477 713 N N 0.124 118.805 118.700 -0.031 0.000 2.443 713 N HA -0.207 4.530 4.740 -0.004 0.000 0.184 713 N C 1.235 176.730 175.510 -0.025 0.000 1.037 713 N CA 1.905 54.943 53.050 -0.019 0.000 0.896 713 N CB -0.663 37.798 38.487 -0.042 0.000 0.959 713 N HN 0.613 nan 8.380 nan 0.000 0.442 714 D N 0.577 120.956 120.400 -0.035 0.000 2.183 714 D HA -0.009 4.629 4.640 -0.004 0.000 0.205 714 D C 1.437 177.723 176.300 -0.024 0.000 0.962 714 D CA 0.526 54.504 54.000 -0.037 0.000 0.849 714 D CB -0.089 40.685 40.800 -0.043 0.000 0.978 714 D HN 0.165 nan 8.370 nan 0.000 0.488 715 S N 1.592 117.280 115.700 -0.021 0.000 2.426 715 S HA -0.254 4.213 4.470 -0.004 0.000 0.332 715 S C -0.858 173.748 174.600 0.011 0.000 1.213 715 S CA 2.274 60.473 58.200 -0.002 0.000 1.436 715 S CB -1.778 61.453 63.200 0.050 0.000 1.351 715 S HN 0.230 nan 8.310 nan 0.000 0.474 716 P HA -0.121 nan 4.420 nan 0.000 0.205 716 P C 1.640 178.929 177.300 -0.018 0.000 1.164 716 P CA 1.857 64.959 63.100 0.004 0.000 0.938 716 P CB -0.322 31.376 31.700 -0.003 0.000 0.777 717 A N -0.924 121.877 122.820 -0.032 0.000 2.104 717 A HA -0.223 4.095 4.320 -0.004 0.000 0.223 717 A C 2.132 179.695 177.584 -0.036 0.000 1.164 717 A CA 2.085 54.096 52.037 -0.043 0.000 0.659 717 A CB -1.752 17.213 19.000 -0.058 0.000 0.808 717 A HN 0.191 nan 8.150 nan 0.000 0.465 718 S N -1.438 114.244 115.700 -0.029 0.000 2.754 718 S HA 0.124 4.592 4.470 -0.004 0.000 0.223 718 S C 1.431 176.015 174.600 -0.027 0.000 0.951 718 S CA 0.302 58.485 58.200 -0.028 0.000 0.954 718 S CB 0.001 63.184 63.200 -0.029 0.000 0.780 718 S HN 0.514 nan 8.310 nan 0.000 0.509 719 K N 0.247 120.631 120.400 -0.026 0.000 2.625 719 K HA 0.244 4.561 4.320 -0.004 0.000 0.202 719 K C 1.565 178.148 176.600 -0.028 0.000 1.412 719 K CA 0.158 56.430 56.287 -0.024 0.000 0.989 719 K CB -0.433 32.057 32.500 -0.016 0.000 1.682 719 K HN -0.077 nan 8.250 nan 0.000 0.496 720 K N 2.327 122.709 120.400 -0.029 0.000 2.360 720 K HA 0.057 4.374 4.320 -0.004 0.000 0.201 720 K C 0.363 176.943 176.600 -0.035 0.000 1.046 720 K CA 0.496 56.763 56.287 -0.032 0.000 0.945 720 K CB -0.369 32.109 32.500 -0.035 0.000 0.750 720 K HN 0.226 nan 8.250 nan 0.000 0.464 721 A N 1.093 123.892 122.820 -0.036 0.000 2.462 721 A HA 0.034 4.351 4.320 -0.004 0.000 0.243 721 A C 0.562 178.124 177.584 -0.038 0.000 1.076 721 A CA -0.105 51.910 52.037 -0.037 0.000 0.773 721 A CB 0.166 19.145 19.000 -0.034 0.000 1.010 721 A HN 0.329 nan 8.150 nan 0.000 0.493 722 D N 0.714 121.090 120.400 -0.040 0.000 2.087 722 D HA -0.122 4.516 4.640 -0.004 0.000 0.192 722 D C 0.627 176.898 176.300 -0.047 0.000 0.993 722 D CA 1.722 55.695 54.000 -0.045 0.000 0.828 722 D CB 0.065 40.836 40.800 -0.050 0.000 0.968 722 D HN 0.570 nan 8.370 nan 0.000 0.448 723 I N 0.198 120.740 120.570 -0.047 0.000 2.465 723 I HA 0.434 4.601 4.170 -0.004 0.000 0.291 723 I C -0.667 175.427 176.117 -0.039 0.000 1.014 723 I CA -0.574 60.698 61.300 -0.048 0.000 1.093 723 I CB 1.942 39.909 38.000 -0.055 0.000 1.267 723 I HN -0.128 nan 8.210 nan 0.000 0.431 724 G N 6.719 115.496 108.800 -0.037 0.000 2.416 724 G HA2 0.570 4.527 3.960 -0.004 0.000 0.324 724 G HA3 0.570 4.527 3.960 -0.004 0.000 0.324 724 G C -1.209 173.676 174.900 -0.025 0.000 1.194 724 G CA -0.362 44.721 45.100 -0.028 0.000 0.922 724 G HN 0.432 nan 8.290 nan 0.000 0.467 725 V N 1.967 121.876 119.914 -0.008 0.000 2.334 725 V HA 0.646 4.763 4.120 -0.004 0.000 0.281 725 V C 0.860 176.962 176.094 0.013 0.000 1.016 725 V CA -0.625 61.676 62.300 0.002 0.000 0.832 725 V CB 0.267 32.102 31.823 0.020 0.000 0.999 725 V HN 1.016 nan 8.190 nan 0.000 0.439 726 A N 5.080 127.898 122.820 -0.003 0.000 2.668 726 A HA 0.618 4.935 4.320 -0.004 0.000 0.223 726 A C 0.758 178.349 177.584 0.011 0.000 1.896 726 A CA 0.348 52.381 52.037 -0.007 0.000 0.922 726 A CB 0.104 19.092 19.000 -0.021 0.000 1.713 726 A HN 0.682 nan 8.150 nan 0.000 0.750 727 M N -1.604 117.996 119.600 0.001 0.000 4.202 727 M HA 0.204 4.681 4.480 -0.004 0.000 0.547 727 M C 0.940 177.240 176.300 -0.001 0.000 1.902 727 M CA 0.695 56.001 55.300 0.010 0.000 0.619 727 M CB -0.377 32.226 32.600 0.004 0.000 1.492 727 M HN 1.365 nan 8.290 nan 0.000 0.589 728 G N 2.615 111.410 108.800 -0.008 0.000 2.952 728 G HA2 -0.404 3.554 3.960 -0.004 0.000 0.346 728 G HA3 -0.404 3.554 3.960 -0.004 0.000 0.346 728 G C 0.977 175.868 174.900 -0.016 0.000 1.191 728 G CA 1.634 46.727 45.100 -0.012 0.000 0.961 728 G HN 0.594 nan 8.290 nan 0.000 0.588 729 I N -0.889 119.674 120.570 -0.011 0.000 2.400 729 I HA 0.481 4.649 4.170 -0.004 0.000 0.248 729 I C 2.707 178.814 176.117 -0.017 0.000 1.109 729 I CA 1.722 63.014 61.300 -0.014 0.000 1.425 729 I CB -0.630 37.364 38.000 -0.009 0.000 1.094 729 I HN 0.520 nan 8.210 nan 0.000 0.425 730 A N 1.527 124.338 122.820 -0.015 0.000 2.258 730 A HA 0.400 4.718 4.320 -0.004 0.000 0.206 730 A C 1.134 178.701 177.584 -0.028 0.000 1.222 730 A CA 0.646 52.671 52.037 -0.021 0.000 0.822 730 A CB -1.370 17.618 19.000 -0.020 0.000 0.804 730 A HN 0.593 nan 8.150 nan 0.000 0.483 731 G N -0.629 108.153 108.800 -0.030 0.000 2.473 731 G HA2 0.471 4.428 3.960 -0.004 0.000 0.321 731 G HA3 0.471 4.428 3.960 -0.004 0.000 0.321 731 G C -0.066 174.804 174.900 -0.048 0.000 1.200 731 G CA 0.147 45.223 45.100 -0.039 0.000 0.963 731 G HN 0.490 nan 8.290 nan 0.000 0.483 732 S N 0.052 115.714 115.700 -0.064 0.000 2.564 732 S HA 0.113 4.580 4.470 -0.004 0.000 0.278 732 S C 0.598 175.147 174.600 -0.085 0.000 1.333 732 S CA -0.423 57.729 58.200 -0.080 0.000 1.048 732 S CB 1.656 64.790 63.200 -0.109 0.000 0.900 732 S HN 0.579 nan 8.310 nan 0.000 0.505 733 D N 1.216 121.567 120.400 -0.081 0.000 2.413 733 D HA -0.038 4.600 4.640 -0.004 0.000 0.262 733 D C 0.879 177.120 176.300 -0.099 0.000 1.254 733 D CA 0.480 54.436 54.000 -0.074 0.000 0.942 733 D CB -0.109 40.655 40.800 -0.060 0.000 0.937 733 D HN 0.525 nan 8.370 nan 0.000 0.508 734 V N -2.182 117.655 119.914 -0.128 0.000 3.261 734 V HA 0.003 4.120 4.120 -0.004 0.000 0.212 734 V C 1.961 177.974 176.094 -0.134 0.000 1.381 734 V CA 0.957 63.157 62.300 -0.167 0.000 1.322 734 V CB 0.063 31.696 31.823 -0.317 0.000 1.188 734 V HN 0.096 nan 8.190 nan 0.000 0.520 735 S N 1.517 117.140 115.700 -0.128 0.000 2.389 735 S HA -0.345 4.122 4.470 -0.004 0.000 0.231 735 S C 2.030 176.590 174.600 -0.067 0.000 1.052 735 S CA 2.950 61.096 58.200 -0.091 0.000 1.053 735 S CB -0.550 62.605 63.200 -0.076 0.000 0.886 735 S HN 0.875 nan 8.310 nan 0.000 0.456 736 K N 0.024 120.386 120.400 -0.063 0.000 2.025 736 K HA -0.065 4.252 4.320 -0.004 0.000 0.207 736 K C 2.219 178.789 176.600 -0.051 0.000 1.049 736 K CA 1.248 57.505 56.287 -0.050 0.000 0.933 736 K CB -0.567 31.906 32.500 -0.046 0.000 0.714 736 K HN 0.254 nan 8.250 nan 0.000 0.438 737 Q N 0.545 120.311 119.800 -0.058 0.000 2.248 737 Q HA -0.109 4.229 4.340 -0.004 0.000 0.208 737 Q C 2.089 178.062 176.000 -0.044 0.000 0.984 737 Q CA 1.872 57.645 55.803 -0.051 0.000 0.875 737 Q CB -0.191 28.514 28.738 -0.054 0.000 0.910 737 Q HN 0.585 nan 8.270 nan 0.000 0.433 738 A N -0.091 122.701 122.820 -0.047 0.000 2.095 738 A HA 0.354 4.671 4.320 -0.004 0.000 0.212 738 A C 1.186 178.748 177.584 -0.037 0.000 1.162 738 A CA 0.609 52.624 52.037 -0.036 0.000 0.753 738 A CB -0.028 18.953 19.000 -0.032 0.000 0.840 738 A HN 0.271 nan 8.150 nan 0.000 0.468 739 A N -0.077 122.719 122.820 -0.040 0.000 2.296 739 A HA 0.454 4.772 4.320 -0.004 0.000 0.264 739 A C 0.432 177.990 177.584 -0.044 0.000 1.097 739 A CA 0.132 52.147 52.037 -0.038 0.000 0.811 739 A CB 0.298 19.278 19.000 -0.033 0.000 1.072 739 A HN 0.233 nan 8.150 nan 0.000 0.495 740 D N -0.221 120.152 120.400 -0.045 0.000 2.290 740 D HA 0.111 4.749 4.640 -0.004 0.000 0.224 740 D C 0.357 176.625 176.300 -0.054 0.000 0.967 740 D CA 1.168 55.136 54.000 -0.054 0.000 0.893 740 D CB -0.030 40.736 40.800 -0.056 0.000 1.037 740 D HN 0.523 nan 8.370 nan 0.000 0.477 741 M N 1.000 120.572 119.600 -0.047 0.000 2.404 741 M HA 0.314 4.791 4.480 -0.004 0.000 0.338 741 M C -0.741 175.539 176.300 -0.033 0.000 1.150 741 M CA -0.488 54.786 55.300 -0.044 0.000 1.016 741 M CB 2.758 35.330 32.600 -0.046 0.000 1.672 741 M HN -0.226 nan 8.290 nan 0.000 0.448 742 I N 5.147 125.698 120.570 -0.032 0.000 2.621 742 I HA 0.231 4.398 4.170 -0.004 0.000 0.276 742 I C -0.326 175.781 176.117 -0.017 0.000 1.118 742 I CA -0.493 60.793 61.300 -0.024 0.000 1.159 742 I CB 0.220 38.203 38.000 -0.028 0.000 1.357 742 I HN 0.594 nan 8.210 nan 0.000 0.513 743 L N 5.555 126.774 121.223 -0.007 0.000 2.700 743 L HA -0.053 4.284 4.340 -0.004 0.000 0.272 743 L C 0.976 177.846 176.870 0.000 0.000 1.176 743 L CA 0.320 55.159 54.840 -0.001 0.000 0.961 743 L CB 0.177 42.249 42.059 0.022 0.000 1.249 743 L HN 0.488 nan 8.230 nan 0.000 0.487 744 L N 2.658 123.877 121.223 -0.006 0.000 2.628 744 L HA 0.055 4.392 4.340 -0.004 0.000 0.229 744 L C 0.954 177.823 176.870 -0.002 0.000 1.137 744 L CA 0.401 55.238 54.840 -0.006 0.000 0.909 744 L CB -0.425 41.628 42.059 -0.011 0.000 1.137 744 L HN 0.645 nan 8.230 nan 0.000 0.470 745 D N -3.982 116.420 120.400 0.003 0.000 2.500 745 D HA 0.063 4.701 4.640 -0.004 0.000 0.217 745 D C 0.201 176.511 176.300 0.017 0.000 1.159 745 D CA -0.219 53.784 54.000 0.006 0.000 0.828 745 D CB 0.002 40.804 40.800 0.003 0.000 1.039 745 D HN -0.054 nan 8.370 nan 0.000 0.512 746 D N 0.091 120.506 120.400 0.025 0.000 3.018 746 D HA -0.244 4.393 4.640 -0.004 0.000 0.224 746 D C -0.373 175.971 176.300 0.074 0.000 1.185 746 D CA 0.808 54.836 54.000 0.046 0.000 0.858 746 D CB -1.426 39.391 40.800 0.029 0.000 1.112 746 D HN 0.468 nan 8.370 nan 0.000 0.415 747 N N 0.381 119.116 118.700 0.057 0.000 2.421 747 N HA -0.033 4.704 4.740 -0.004 0.000 0.260 747 N C 0.403 175.971 175.510 0.097 0.000 1.173 747 N CA -0.144 52.945 53.050 0.065 0.000 0.960 747 N CB -0.191 38.311 38.487 0.024 0.000 1.273 747 N HN 0.080 nan 8.380 nan 0.000 0.497 748 F N 3.650 123.590 119.950 -0.017 0.000 2.724 748 F HA 0.026 4.551 4.527 -0.004 0.000 0.297 748 F C 1.690 177.479 175.800 -0.018 0.000 1.200 748 F CA 0.330 58.319 58.000 -0.019 0.000 1.468 748 F CB -0.017 38.973 39.000 -0.017 0.000 1.116 748 F HN 0.635 nan 8.300 nan 0.000 0.599 749 A N -1.599 121.185 122.820 -0.060 0.000 2.147 749 A HA 0.028 4.346 4.320 -0.004 0.000 0.211 749 A C 2.313 179.800 177.584 -0.161 0.000 1.160 749 A CA 0.902 52.869 52.037 -0.118 0.000 0.781 749 A CB -0.638 18.339 19.000 -0.037 0.000 0.842 749 A HN 0.239 nan 8.150 nan 0.000 0.475 750 S N 0.079 115.695 115.700 -0.141 0.000 2.442 750 S HA -0.125 4.342 4.470 -0.004 0.000 0.236 750 S C 1.643 176.136 174.600 -0.177 0.000 1.007 750 S CA 1.092 59.217 58.200 -0.125 0.000 0.965 750 S CB -0.401 62.748 63.200 -0.085 0.000 0.773 750 S HN 0.468 nan 8.310 nan 0.000 0.504 751 I N 0.875 121.265 120.570 -0.300 0.000 2.208 751 I HA -0.127 4.041 4.170 -0.004 0.000 0.245 751 I C 2.160 178.142 176.117 -0.225 0.000 1.097 751 I CA 1.051 62.157 61.300 -0.323 0.000 1.363 751 I CB -0.585 37.061 38.000 -0.590 0.000 1.051 751 I HN 0.116 nan 8.210 nan 0.000 0.413 752 V N -0.411 119.376 119.914 -0.211 0.000 2.379 752 V HA -0.192 3.925 4.120 -0.004 0.000 0.245 752 V C 1.545 177.576 176.094 -0.104 0.000 1.044 752 V CA 1.846 64.064 62.300 -0.137 0.000 1.036 752 V CB -0.690 31.066 31.823 -0.112 0.000 0.664 752 V HN 0.367 nan 8.190 nan 0.000 0.453 753 T N 0.316 114.810 114.554 -0.099 0.000 3.609 753 T HA 0.301 4.649 4.350 -0.004 0.000 0.245 753 T C 1.024 175.677 174.700 -0.077 0.000 0.980 753 T CA 0.825 62.880 62.100 -0.074 0.000 0.940 753 T CB -0.227 68.604 68.868 -0.062 0.000 1.105 753 T HN 0.619 nan 8.240 nan 0.000 0.627 754 G N -0.609 108.139 108.800 -0.088 0.000 2.327 754 G HA2 0.039 3.997 3.960 -0.004 0.000 0.193 754 G HA3 0.039 3.997 3.960 -0.004 0.000 0.193 754 G C 1.085 175.934 174.900 -0.085 0.000 1.535 754 G CA 0.034 45.083 45.100 -0.085 0.000 0.598 754 G HN 0.327 nan 8.290 nan 0.000 1.134 755 V N 0.851 120.708 119.914 -0.094 0.000 2.548 755 V HA 0.040 4.157 4.120 -0.004 0.000 0.249 755 V C 2.301 178.350 176.094 -0.075 0.000 1.055 755 V CA 2.749 64.995 62.300 -0.090 0.000 1.065 755 V CB 0.648 32.414 31.823 -0.095 0.000 0.681 755 V HN 0.512 nan 8.190 nan 0.000 0.462 756 E N -0.453 119.707 120.200 -0.067 0.000 2.005 756 E HA -0.196 4.151 4.350 -0.004 0.000 0.191 756 E C 2.122 178.695 176.600 -0.045 0.000 0.987 756 E CA 1.027 57.396 56.400 -0.052 0.000 0.814 756 E CB -0.156 29.517 29.700 -0.046 0.000 0.772 756 E HN 0.484 nan 8.360 nan 0.000 0.453 757 E N 0.005 120.177 120.200 -0.046 0.000 2.233 757 E HA -0.192 4.155 4.350 -0.004 0.000 0.199 757 E C 1.757 178.332 176.600 -0.040 0.000 1.004 757 E CA 1.123 57.498 56.400 -0.042 0.000 0.819 757 E CB -0.441 29.232 29.700 -0.045 0.000 0.738 757 E HN 0.474 nan 8.360 nan 0.000 0.478 758 G N 0.677 109.449 108.800 -0.047 0.000 2.404 758 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.213 758 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.213 758 G C 1.627 176.512 174.900 -0.024 0.000 1.189 758 G CA 0.270 45.344 45.100 -0.044 0.000 0.796 758 G HN 0.177 nan 8.290 nan 0.000 0.532 759 R N -0.358 120.118 120.500 -0.041 0.000 2.139 759 R HA -0.063 4.274 4.340 -0.004 0.000 0.243 759 R C 2.465 178.786 176.300 0.034 0.000 1.145 759 R CA 1.084 57.170 56.100 -0.023 0.000 0.976 759 R CB -0.497 29.775 30.300 -0.047 0.000 0.866 759 R HN 0.365 nan 8.270 nan 0.000 0.449 760 L N 0.999 122.227 121.223 0.007 0.000 1.970 760 L HA -0.184 4.154 4.340 -0.004 0.000 0.212 760 L C 1.876 178.755 176.870 0.016 0.000 1.071 760 L CA 1.703 56.546 54.840 0.004 0.000 0.751 760 L CB -0.260 41.790 42.059 -0.016 0.000 0.889 760 L HN 0.065 nan 8.230 nan 0.000 0.432 761 I N -0.587 119.991 120.570 0.014 0.000 2.850 761 I HA -0.250 3.917 4.170 -0.004 0.000 0.266 761 I C 2.309 178.464 176.117 0.064 0.000 1.257 761 I CA 1.066 62.372 61.300 0.010 0.000 1.465 761 I CB -1.828 36.168 38.000 -0.007 0.000 1.091 761 I HN 0.291 nan 8.210 nan 0.000 0.467 762 F N 2.454 122.358 119.950 -0.076 0.000 2.060 762 F HA -0.167 4.358 4.527 -0.004 0.000 0.295 762 F C 2.106 177.848 175.800 -0.097 0.000 1.120 762 F CA 1.662 59.613 58.000 -0.081 0.000 1.205 762 F CB -0.256 38.693 39.000 -0.085 0.000 0.986 762 F HN 0.068 nan 8.300 nan 0.000 0.470 763 D N 0.033 120.423 120.400 -0.015 0.000 2.077 763 D HA -0.195 4.443 4.640 -0.004 0.000 0.193 763 D C 1.500 177.710 176.300 -0.150 0.000 0.989 763 D CA 1.530 55.445 54.000 -0.143 0.000 0.831 763 D CB -0.993 39.767 40.800 -0.067 0.000 0.979 763 D HN 0.156 nan 8.370 nan 0.000 0.449 764 N N -0.067 118.582 118.700 -0.085 0.000 2.734 764 N HA -0.029 4.709 4.740 -0.004 0.000 0.201 764 N C 0.879 176.332 175.510 -0.095 0.000 1.458 764 N CA 0.165 53.166 53.050 -0.082 0.000 0.931 764 N CB 0.003 38.455 38.487 -0.060 0.000 1.119 764 N HN 0.218 nan 8.380 nan 0.000 0.454 765 L N -1.266 119.878 121.223 -0.133 0.000 2.663 765 L HA 0.137 4.474 4.340 -0.004 0.000 0.218 765 L C 1.692 178.464 176.870 -0.163 0.000 1.043 765 L CA 0.093 54.855 54.840 -0.130 0.000 0.876 765 L CB 0.126 42.109 42.059 -0.128 0.000 1.263 765 L HN 0.043 nan 8.230 nan 0.000 0.486 766 K N 0.877 121.128 120.400 -0.248 0.000 1.978 766 K HA -0.216 4.101 4.320 -0.004 0.000 0.214 766 K C 1.908 178.453 176.600 -0.092 0.000 1.049 766 K CA 1.675 57.821 56.287 -0.236 0.000 0.939 766 K CB -0.109 32.160 32.500 -0.386 0.000 0.721 766 K HN 0.181 nan 8.250 nan 0.000 0.441 767 K N 0.634 120.975 120.400 -0.098 0.000 2.034 767 K HA -0.211 4.107 4.320 -0.004 0.000 0.214 767 K C 2.400 178.992 176.600 -0.014 0.000 1.051 767 K CA 1.878 58.160 56.287 -0.009 0.000 0.931 767 K CB -0.458 32.013 32.500 -0.049 0.000 0.715 767 K HN 0.060 nan 8.250 nan 0.000 0.446 768 S N 0.580 116.240 115.700 -0.066 0.000 2.419 768 S HA -0.121 4.347 4.470 -0.004 0.000 0.235 768 S C 1.780 176.368 174.600 -0.020 0.000 1.019 768 S CA 0.965 59.120 58.200 -0.075 0.000 0.982 768 S CB -0.084 63.072 63.200 -0.073 0.000 0.789 768 S HN 0.335 nan 8.310 nan 0.000 0.490 769 I N 0.057 120.607 120.570 -0.034 0.000 2.729 769 I HA 0.136 4.303 4.170 -0.004 0.000 0.256 769 I C 2.414 178.514 176.117 -0.027 0.000 1.115 769 I CA 0.849 62.116 61.300 -0.055 0.000 1.446 769 I CB -0.648 37.238 38.000 -0.190 0.000 1.176 769 I HN 0.348 nan 8.210 nan 0.000 0.446 770 A N 1.252 124.073 122.820 0.001 0.000 1.873 770 A HA -0.394 3.924 4.320 -0.004 0.000 0.219 770 A C 2.271 179.887 177.584 0.053 0.000 1.269 770 A CA 2.589 54.630 52.037 0.007 0.000 0.671 770 A CB -1.800 17.276 19.000 0.126 0.000 0.842 770 A HN 0.697 nan 8.150 nan 0.000 0.460 771 Y N 0.176 120.459 120.300 -0.028 0.000 2.040 771 Y HA -0.273 4.275 4.550 -0.004 0.000 0.275 771 Y C 2.572 178.461 175.900 -0.018 0.000 1.171 771 Y CA 2.678 60.770 58.100 -0.013 0.000 1.123 771 Y CB -0.914 37.554 38.460 0.013 0.000 0.963 771 Y HN 0.303 nan 8.280 nan 0.000 0.493 772 T N 0.545 115.436 114.554 0.561 0.000 3.070 772 T HA -0.138 4.209 4.350 -0.004 0.000 0.270 772 T C 0.999 175.724 174.700 0.041 0.000 1.175 772 T CA 1.534 63.827 62.100 0.321 0.000 1.073 772 T CB -0.619 68.386 68.868 0.229 0.000 0.840 772 T HN 0.531 nan 8.240 nan 0.000 0.576 773 L N -3.559 117.648 121.223 -0.026 0.000 3.076 773 L HA 0.515 4.852 4.340 -0.004 0.000 0.271 773 L C 1.933 178.798 176.870 -0.009 0.000 1.152 773 L CA 0.390 55.203 54.840 -0.046 0.000 0.996 773 L CB -0.821 41.180 42.059 -0.097 0.000 1.453 773 L HN -0.173 nan 8.230 nan 0.000 0.571 774 T N 1.180 115.704 114.554 -0.050 0.000 2.721 774 T HA -0.184 4.164 4.350 -0.004 0.000 0.268 774 T C 1.703 176.375 174.700 -0.046 0.000 1.038 774 T CA 2.262 64.356 62.100 -0.011 0.000 1.145 774 T CB -0.520 68.310 68.868 -0.063 0.000 0.858 774 T HN 0.712 nan 8.240 nan 0.000 0.459 775 S N 1.458 117.073 115.700 -0.142 0.000 2.595 775 S HA -0.002 4.466 4.470 -0.004 0.000 0.235 775 S C 1.713 176.234 174.600 -0.132 0.000 0.974 775 S CA 0.236 58.341 58.200 -0.159 0.000 0.942 775 S CB -0.389 62.677 63.200 -0.224 0.000 0.766 775 S HN 0.370 nan 8.310 nan 0.000 0.536 776 N N 1.980 120.637 118.700 -0.071 0.000 2.135 776 N HA -0.032 4.706 4.740 -0.004 0.000 0.186 776 N C 1.559 176.963 175.510 -0.178 0.000 1.027 776 N CA 1.247 54.245 53.050 -0.086 0.000 0.849 776 N CB -0.234 38.305 38.487 0.087 0.000 1.002 776 N HN 0.300 nan 8.380 nan 0.000 0.425 777 I N 1.860 122.312 120.570 -0.197 0.000 2.068 777 I HA -0.221 3.946 4.170 -0.004 0.000 0.238 777 I C -0.706 175.287 176.117 -0.207 0.000 1.046 777 I CA 1.551 62.690 61.300 -0.268 0.000 1.306 777 I CB -2.652 35.214 38.000 -0.223 0.000 1.023 777 I HN 0.051 nan 8.210 nan 0.000 0.399 778 P HA -0.156 nan 4.420 nan 0.000 0.224 778 P C 1.211 178.387 177.300 -0.207 0.000 1.142 778 P CA 1.386 64.411 63.100 -0.126 0.000 0.778 778 P CB -0.078 31.575 31.700 -0.080 0.000 0.764 779 E N -1.722 118.342 120.200 -0.226 0.000 2.389 779 E HA 0.052 4.400 4.350 -0.004 0.000 0.199 779 E C 1.724 178.204 176.600 -0.200 0.000 0.978 779 E CA 0.284 56.532 56.400 -0.253 0.000 0.912 779 E CB -0.058 29.483 29.700 -0.265 0.000 0.907 779 E HN 0.303 nan 8.360 nan 0.000 0.494 780 I N 1.245 121.687 120.570 -0.213 0.000 2.315 780 I HA -0.178 3.990 4.170 -0.004 0.000 0.233 780 I C 2.693 178.782 176.117 -0.047 0.000 1.067 780 I CA 1.298 62.478 61.300 -0.199 0.000 1.376 780 I CB -1.455 36.385 38.000 -0.267 0.000 1.143 780 I HN 0.002 nan 8.210 nan 0.000 0.421 781 T N -0.179 114.302 114.554 -0.121 0.000 2.780 781 T HA -0.248 4.099 4.350 -0.004 0.000 0.255 781 T C -0.429 174.231 174.700 -0.066 0.000 1.065 781 T CA 2.130 64.148 62.100 -0.136 0.000 1.155 781 T CB -2.696 65.985 68.868 -0.312 0.000 0.837 781 T HN 0.209 nan 8.240 nan 0.000 0.479 782 P HA -0.089 nan 4.420 nan 0.000 0.211 782 P C 1.389 178.806 177.300 0.194 0.000 1.181 782 P CA 1.456 64.598 63.100 0.071 0.000 0.929 782 P CB -0.454 31.259 31.700 0.021 0.000 0.789 783 F N -2.006 117.997 119.950 0.088 0.000 2.192 783 F HA -0.186 4.339 4.527 -0.004 0.000 0.301 783 F C 2.149 178.271 175.800 0.538 0.000 1.079 783 F CA 0.562 58.710 58.000 0.247 0.000 1.303 783 F CB -1.145 37.881 39.000 0.042 0.000 1.024 783 F HN -0.137 nan 8.300 nan 0.000 0.494 784 L N -0.503 121.056 121.223 0.561 0.000 2.027 784 L HA -0.193 4.144 4.340 -0.004 0.000 0.206 784 L C 2.311 179.447 176.870 0.443 0.000 1.074 784 L CA 1.234 56.444 54.840 0.617 0.000 0.745 784 L CB -0.693 41.610 42.059 0.407 0.000 0.898 784 L HN 0.074 nan 8.230 nan 0.000 0.433 785 I N -1.297 119.470 120.570 0.328 0.000 2.353 785 I HA -0.266 3.902 4.170 -0.004 0.000 0.248 785 I C 2.357 178.658 176.117 0.306 0.000 1.119 785 I CA 1.138 62.623 61.300 0.310 0.000 1.417 785 I CB -0.948 37.314 38.000 0.437 0.000 1.078 785 I HN 0.231 nan 8.210 nan 0.000 0.421 786 F N 1.255 121.310 119.950 0.175 0.000 2.411 786 F HA -0.228 4.297 4.527 -0.004 0.000 0.299 786 F C 1.978 177.816 175.800 0.064 0.000 1.077 786 F CA 1.293 59.357 58.000 0.106 0.000 1.439 786 F CB 0.114 39.136 39.000 0.037 0.000 1.085 786 F HN -0.045 nan 8.300 nan 0.000 0.564 787 I N -0.485 120.212 120.570 0.212 0.000 3.565 787 I HA -0.005 4.162 4.170 -0.004 0.000 0.287 787 I C 2.168 178.301 176.117 0.028 0.000 1.193 787 I CA 0.557 61.877 61.300 0.034 0.000 1.402 787 I CB -0.947 36.913 38.000 -0.233 0.000 1.284 787 I HN 0.035 nan 8.210 nan 0.000 0.454 788 I N 1.182 121.768 120.570 0.026 0.000 2.454 788 I HA -0.104 4.064 4.170 -0.004 0.000 0.254 788 I C 1.095 177.222 176.117 0.017 0.000 1.156 788 I CA 1.069 62.371 61.300 0.003 0.000 1.433 788 I CB -0.344 37.678 38.000 0.036 0.000 1.082 788 I HN 0.181 nan 8.210 nan 0.000 0.432 789 A N 0.783 123.624 122.820 0.034 0.000 3.448 789 A HA 0.240 4.557 4.320 -0.004 0.000 0.232 789 A C 0.376 177.943 177.584 -0.029 0.000 1.018 789 A CA -0.516 51.527 52.037 0.010 0.000 0.996 789 A CB -0.504 18.522 19.000 0.044 0.000 1.283 789 A HN 0.245 nan 8.150 nan 0.000 0.586 790 N N 0.968 119.611 118.700 -0.095 0.000 2.486 790 N HA -0.201 4.537 4.740 -0.004 0.000 0.253 790 N C 0.384 175.776 175.510 -0.197 0.000 1.032 790 N CA 1.245 54.165 53.050 -0.217 0.000 0.836 790 N CB -0.377 38.009 38.487 -0.168 0.000 1.043 790 N HN 0.856 nan 8.380 nan 0.000 0.582 791 I N 0.825 121.345 120.570 -0.085 0.000 2.311 791 I HA 0.151 4.318 4.170 -0.004 0.000 0.297 791 I C -1.984 174.187 176.117 0.090 0.000 1.131 791 I CA -1.237 60.104 61.300 0.068 0.000 1.289 791 I CB 0.358 38.480 38.000 0.205 0.000 1.446 791 I HN -0.188 nan 8.210 nan 0.000 0.524 792 P HA -0.249 nan 4.420 nan 0.000 0.262 792 P C -0.291 177.196 177.300 0.312 0.000 1.110 792 P CA 0.181 63.380 63.100 0.165 0.000 0.752 792 P CB 0.110 31.934 31.700 0.207 0.000 0.695 793 L N 7.448 129.005 121.223 0.557 0.000 3.082 793 L HA -0.140 4.197 4.340 -0.004 0.000 0.303 793 L C -1.418 175.601 176.870 0.248 0.000 0.960 793 L CA 0.383 55.482 54.840 0.432 0.000 1.094 793 L CB -0.548 41.666 42.059 0.257 0.000 1.608 793 L HN 0.403 nan 8.230 nan 0.000 0.414 794 P HA -0.082 nan 4.420 nan 0.000 0.215 794 P C 0.082 177.621 177.300 0.399 0.000 1.157 794 P CA 0.983 64.077 63.100 -0.010 0.000 0.859 794 P CB 0.231 31.786 31.700 -0.240 0.000 0.786 795 L N -0.916 120.296 121.223 -0.018 0.000 2.317 795 L HA 0.597 4.934 4.340 -0.004 0.000 0.281 795 L C 0.411 176.912 176.870 -0.615 0.000 1.024 795 L CA -0.899 53.712 54.840 -0.380 0.000 0.810 795 L CB 1.577 43.314 42.059 -0.537 0.000 1.240 795 L HN -0.036 nan 8.230 nan 0.000 0.427 796 G N 0.065 108.286 108.800 -0.966 0.000 2.389 796 G HA2 0.369 4.327 3.960 -0.004 0.000 0.317 796 G HA3 0.369 4.327 3.960 -0.004 0.000 0.317 796 G C 0.871 175.635 174.900 -0.227 0.000 1.137 796 G CA 0.274 44.931 45.100 -0.739 0.000 0.870 796 G HN 0.746 nan 8.290 nan 0.000 0.496 797 T N -0.494 114.047 114.554 -0.021 0.000 2.595 797 T HA -0.225 4.122 4.350 -0.004 0.000 0.264 797 T C 2.239 176.854 174.700 -0.142 0.000 1.058 797 T CA 1.810 63.880 62.100 -0.049 0.000 1.166 797 T CB -0.740 68.106 68.868 -0.036 0.000 0.863 797 T HN 0.216 nan 8.240 nan 0.000 0.415 798 V N 1.940 121.783 119.914 -0.118 0.000 2.944 798 V HA -0.151 3.966 4.120 -0.004 0.000 0.265 798 V C 2.720 178.709 176.094 -0.175 0.000 1.125 798 V CA 2.051 64.282 62.300 -0.115 0.000 1.145 798 V CB -1.562 30.222 31.823 -0.065 0.000 0.725 798 V HN 0.660 nan 8.190 nan 0.000 0.510 799 T N -0.309 114.098 114.554 -0.245 0.000 3.009 799 T HA 0.127 4.475 4.350 -0.004 0.000 0.258 799 T C 1.853 176.312 174.700 -0.400 0.000 1.063 799 T CA 0.437 62.324 62.100 -0.355 0.000 1.139 799 T CB -0.008 68.612 68.868 -0.413 0.000 0.890 799 T HN 0.201 nan 8.240 nan 0.000 0.471 800 I N 1.501 121.882 120.570 -0.315 0.000 2.202 800 I HA 0.008 4.175 4.170 -0.004 0.000 0.242 800 I C 1.204 177.159 176.117 -0.270 0.000 1.091 800 I CA 1.062 62.179 61.300 -0.304 0.000 1.368 800 I CB -0.996 36.832 38.000 -0.287 0.000 1.058 800 I HN 0.235 nan 8.210 nan 0.000 0.410 801 L N 0.762 121.848 121.223 -0.227 0.000 2.388 801 L HA -0.055 4.282 4.340 -0.004 0.000 0.252 801 L C 0.594 177.353 176.870 -0.186 0.000 1.357 801 L CA 0.110 54.841 54.840 -0.181 0.000 1.214 801 L CB -0.119 41.853 42.059 -0.146 0.000 1.392 801 L HN 0.429 nan 8.230 nan 0.000 0.432 802 C N 0.815 119.986 119.300 -0.215 0.000 4.100 802 C HA 0.095 4.553 4.460 -0.004 0.000 0.365 802 C C 1.124 175.980 174.990 -0.224 0.000 2.997 802 C CA -0.282 58.603 59.018 -0.222 0.000 1.547 802 C CB -0.394 27.138 27.740 -0.347 0.000 2.299 802 C HN 0.626 nan 8.230 nan 0.000 0.333 803 I N 0.836 121.296 120.570 -0.184 0.000 3.623 803 I HA 0.240 4.408 4.170 -0.004 0.000 0.253 803 I C 1.944 178.039 176.117 -0.036 0.000 1.144 803 I CA 1.048 62.282 61.300 -0.110 0.000 1.461 803 I CB -1.381 36.517 38.000 -0.170 0.000 1.575 803 I HN 0.220 nan 8.210 nan 0.000 0.445 804 D N 1.476 121.836 120.400 -0.068 0.000 2.194 804 D HA -0.077 4.561 4.640 -0.004 0.000 0.204 804 D C 1.892 178.186 176.300 -0.011 0.000 0.964 804 D CA 0.856 54.839 54.000 -0.028 0.000 0.846 804 D CB 0.185 40.946 40.800 -0.065 0.000 0.962 804 D HN 0.221 nan 8.370 nan 0.000 0.490 805 L N -0.293 120.904 121.223 -0.044 0.000 2.667 805 L HA 0.460 4.798 4.340 -0.004 0.000 0.232 805 L C 1.212 178.070 176.870 -0.021 0.000 1.138 805 L CA 0.500 55.315 54.840 -0.041 0.000 0.921 805 L CB 0.761 42.776 42.059 -0.073 0.000 1.180 805 L HN 0.062 nan 8.230 nan 0.000 0.487 806 G N -2.331 106.468 108.800 -0.001 0.000 2.310 806 G HA2 0.058 4.015 3.960 -0.004 0.000 0.185 806 G HA3 0.058 4.015 3.960 -0.004 0.000 0.185 806 G C 0.885 175.842 174.900 0.095 0.000 1.460 806 G CA 0.736 45.856 45.100 0.035 0.000 0.660 806 G HN 0.229 nan 8.290 nan 0.000 1.081 807 T N 1.089 115.706 114.554 0.106 0.000 3.252 807 T HA 0.086 4.434 4.350 -0.004 0.000 0.233 807 T C 1.543 176.361 174.700 0.197 0.000 0.975 807 T CA 0.980 63.190 62.100 0.182 0.000 1.318 807 T CB -0.128 68.871 68.868 0.218 0.000 1.014 807 T HN 0.041 nan 8.240 nan 0.000 0.418 808 D N 1.802 122.318 120.400 0.193 0.000 2.403 808 D HA -0.026 4.612 4.640 -0.004 0.000 0.227 808 D C 1.802 178.249 176.300 0.245 0.000 0.995 808 D CA 0.288 54.468 54.000 0.300 0.000 0.928 808 D CB -0.144 40.842 40.800 0.310 0.000 0.887 808 D HN 0.240 nan 8.370 nan 0.000 0.529 809 M N 0.745 120.442 119.600 0.162 0.000 3.554 809 M HA -0.208 4.270 4.480 -0.004 0.000 0.291 809 M C 2.662 179.031 176.300 0.114 0.000 1.046 809 M CA 1.238 56.612 55.300 0.123 0.000 1.059 809 M CB -1.381 31.280 32.600 0.102 0.000 1.183 809 M HN 0.039 nan 8.290 nan 0.000 0.607 810 V N -1.370 118.611 119.914 0.112 0.000 2.428 810 V HA -0.206 3.911 4.120 -0.004 0.000 0.255 810 V C -0.736 175.398 176.094 0.068 0.000 1.080 810 V CA 1.836 64.194 62.300 0.098 0.000 1.083 810 V CB -2.930 28.956 31.823 0.105 0.000 0.665 810 V HN 0.314 nan 8.190 nan 0.000 0.461 811 P HA 0.052 nan 4.420 nan 0.000 0.220 811 P C 1.936 179.102 177.300 -0.223 0.000 1.152 811 P CA 1.902 64.964 63.100 -0.063 0.000 0.812 811 P CB -0.143 31.560 31.700 0.006 0.000 0.792 812 A N -0.043 122.697 122.820 -0.133 0.000 1.858 812 A HA -0.175 4.143 4.320 -0.004 0.000 0.216 812 A C 2.011 179.556 177.584 -0.066 0.000 1.190 812 A CA 1.482 53.444 52.037 -0.126 0.000 0.617 812 A CB -1.609 17.414 19.000 0.039 0.000 0.827 812 A HN -0.023 nan 8.150 nan 0.000 0.443 813 I N 0.608 121.180 120.570 0.003 0.000 2.069 813 I HA -0.277 3.891 4.170 -0.004 0.000 0.237 813 I C 2.851 178.990 176.117 0.036 0.000 1.053 813 I CA 2.084 63.401 61.300 0.029 0.000 1.311 813 I CB -1.775 36.272 38.000 0.077 0.000 1.030 813 I HN 0.502 nan 8.210 nan 0.000 0.398 814 S N 1.356 117.096 115.700 0.067 0.000 2.393 814 S HA -0.261 4.206 4.470 -0.004 0.000 0.235 814 S C 2.191 176.826 174.600 0.059 0.000 1.061 814 S CA 1.737 60.001 58.200 0.106 0.000 1.129 814 S CB -0.587 62.631 63.200 0.030 0.000 1.011 814 S HN 0.347 nan 8.310 nan 0.000 0.436 815 L N 1.689 122.881 121.223 -0.053 0.000 2.054 815 L HA -0.245 4.093 4.340 -0.004 0.000 0.220 815 L C 3.076 179.925 176.870 -0.035 0.000 1.081 815 L CA 2.386 57.182 54.840 -0.074 0.000 0.780 815 L CB -2.145 39.831 42.059 -0.139 0.000 0.893 815 L HN 0.626 nan 8.230 nan 0.000 0.438 816 A N -1.020 121.768 122.820 -0.053 0.000 1.903 816 A HA -0.304 4.014 4.320 -0.004 0.000 0.219 816 A C 2.034 179.560 177.584 -0.095 0.000 1.191 816 A CA 2.086 54.059 52.037 -0.106 0.000 0.638 816 A CB -1.112 17.777 19.000 -0.184 0.000 0.823 816 A HN 0.468 nan 8.150 nan 0.000 0.451 817 Y N 0.233 120.510 120.300 -0.037 0.000 2.384 817 Y HA -0.051 4.497 4.550 -0.004 0.000 0.289 817 Y C 1.173 177.051 175.900 -0.036 0.000 1.152 817 Y CA 0.846 58.926 58.100 -0.033 0.000 1.258 817 Y CB -0.160 38.281 38.460 -0.032 0.000 0.979 817 Y HN 0.232 nan 8.280 nan 0.000 0.549 818 E N 2.243 122.502 120.200 0.098 0.000 2.529 818 E HA -0.092 4.255 4.350 -0.004 0.000 0.259 818 E C 0.079 176.694 176.600 0.025 0.000 0.966 818 E CA 0.095 56.519 56.400 0.040 0.000 0.937 818 E CB 0.320 30.019 29.700 -0.001 0.000 0.923 818 E HN 0.510 nan 8.360 nan 0.000 0.468 819 Q N 1.886 121.699 119.800 0.022 0.000 2.272 819 Q HA 0.539 4.876 4.340 -0.004 0.000 0.192 819 Q C 0.471 176.470 176.000 -0.002 0.000 1.059 819 Q CA -0.660 55.150 55.803 0.012 0.000 1.084 819 Q CB 0.171 28.918 28.738 0.014 0.000 1.139 819 Q HN 0.475 nan 8.270 nan 0.000 0.593 820 A N 0.317 123.135 122.820 -0.003 0.000 2.411 820 A HA -0.157 4.161 4.320 -0.004 0.000 0.310 820 A C 0.433 178.013 177.584 -0.008 0.000 1.226 820 A CA 1.084 53.117 52.037 -0.007 0.000 0.982 820 A CB -0.153 18.844 19.000 -0.006 0.000 1.131 820 A HN 0.905 nan 8.150 nan 0.000 0.534 821 E N -1.924 118.272 120.200 -0.006 0.000 2.614 821 E HA 0.305 4.652 4.350 -0.004 0.000 0.192 821 E C -0.618 175.981 176.600 -0.001 0.000 0.930 821 E CA 0.597 56.994 56.400 -0.004 0.000 1.346 821 E CB 0.725 30.422 29.700 -0.004 0.000 1.252 821 E HN 0.636 nan 8.360 nan 0.000 0.647 822 S N -0.110 115.589 115.700 -0.002 0.000 2.707 822 S HA -0.036 4.431 4.470 -0.004 0.000 0.268 822 S C -2.070 172.527 174.600 -0.005 0.000 1.004 822 S CA -0.815 57.383 58.200 -0.002 0.000 0.902 822 S CB 0.731 63.932 63.200 0.002 0.000 1.157 822 S HN 0.124 nan 8.310 nan 0.000 0.468 823 D N 1.936 122.333 120.400 -0.006 0.000 2.429 823 D HA 0.222 4.860 4.640 -0.004 0.000 0.253 823 D C 1.668 177.962 176.300 -0.011 0.000 1.294 823 D CA 0.345 54.339 54.000 -0.009 0.000 1.063 823 D CB -0.454 40.341 40.800 -0.009 0.000 1.096 823 D HN 0.459 nan 8.370 nan 0.000 0.516 824 I N 1.669 122.231 120.570 -0.013 0.000 2.142 824 I HA -0.231 3.937 4.170 -0.004 0.000 0.240 824 I C 1.788 177.891 176.117 -0.023 0.000 1.078 824 I CA 0.595 61.885 61.300 -0.016 0.000 1.343 824 I CB -0.399 37.590 38.000 -0.018 0.000 1.046 824 I HN 0.360 nan 8.210 nan 0.000 0.405 825 M N 1.624 121.208 119.600 -0.025 0.000 2.849 825 M HA -0.080 4.398 4.480 -0.004 0.000 0.218 825 M C 1.443 177.729 176.300 -0.025 0.000 1.012 825 M CA 1.107 56.389 55.300 -0.030 0.000 1.072 825 M CB -1.232 31.349 32.600 -0.031 0.000 1.638 825 M HN 0.338 nan 8.290 nan 0.000 0.543 826 K N 0.333 120.720 120.400 -0.021 0.000 2.402 826 K HA 0.080 4.398 4.320 -0.004 0.000 0.203 826 K C 0.289 176.878 176.600 -0.018 0.000 1.077 826 K CA 0.025 56.301 56.287 -0.018 0.000 1.051 826 K CB 0.836 33.328 32.500 -0.013 0.000 0.907 826 K HN 0.123 nan 8.250 nan 0.000 0.554 827 R N 1.661 122.148 120.500 -0.023 0.000 2.604 827 R HA 0.171 4.509 4.340 -0.004 0.000 0.287 827 R C -0.487 175.793 176.300 -0.034 0.000 0.970 827 R CA -0.409 55.676 56.100 -0.025 0.000 0.946 827 R CB 0.791 31.078 30.300 -0.022 0.000 1.127 827 R HN -0.094 nan 8.270 nan 0.000 0.473 828 Q N 3.207 122.987 119.800 -0.033 0.000 2.414 828 Q HA 0.112 4.450 4.340 -0.004 0.000 0.288 828 Q C -1.916 174.051 176.000 -0.054 0.000 1.086 828 Q CA -1.138 54.642 55.803 -0.039 0.000 0.943 828 Q CB -0.409 28.309 28.738 -0.034 0.000 1.282 828 Q HN 0.515 nan 8.270 nan 0.000 0.438 829 P HA -0.024 nan 4.420 nan 0.000 0.265 829 P C -0.692 176.549 177.300 -0.099 0.000 1.193 829 P CA -0.018 63.030 63.100 -0.087 0.000 0.765 829 P CB 0.284 31.936 31.700 -0.081 0.000 0.823 830 R N 1.864 122.281 120.500 -0.139 0.000 2.483 830 R HA 0.047 4.385 4.340 -0.004 0.000 0.329 830 R C 0.304 176.518 176.300 -0.142 0.000 0.961 830 R CA -0.308 55.702 56.100 -0.150 0.000 1.041 830 R CB -0.794 29.355 30.300 -0.253 0.000 0.930 830 R HN 0.349 nan 8.270 nan 0.000 0.413 831 N N 3.699 122.343 118.700 -0.093 0.000 2.273 831 N HA -0.039 4.698 4.740 -0.004 0.000 0.227 831 N C -1.654 173.802 175.510 -0.090 0.000 1.292 831 N CA -0.984 52.019 53.050 -0.078 0.000 0.875 831 N CB 0.561 39.016 38.487 -0.054 0.000 1.105 831 N HN 0.452 nan 8.380 nan 0.000 0.434 832 P HA 0.139 nan 4.420 nan 0.000 0.277 832 P C 0.016 177.282 177.300 -0.056 0.000 1.260 832 P CA 0.593 63.648 63.100 -0.075 0.000 0.878 832 P CB 0.580 32.234 31.700 -0.077 0.000 1.319 833 K N -0.650 119.723 120.400 -0.046 0.000 2.211 833 K HA 0.099 4.417 4.320 -0.004 0.000 0.201 833 K C 1.607 178.181 176.600 -0.043 0.000 1.052 833 K CA 1.181 57.445 56.287 -0.037 0.000 0.973 833 K CB -0.027 32.459 32.500 -0.022 0.000 0.766 833 K HN 0.033 nan 8.250 nan 0.000 0.466 834 T N 0.956 115.486 114.554 -0.040 0.000 3.401 834 T HA -0.011 4.337 4.350 -0.004 0.000 0.225 834 T C -0.191 174.482 174.700 -0.045 0.000 0.961 834 T CA 0.168 62.245 62.100 -0.037 0.000 1.429 834 T CB -0.154 68.698 68.868 -0.026 0.000 1.213 834 T HN 0.079 nan 8.240 nan 0.000 0.440 835 D N 3.572 123.951 120.400 -0.034 0.000 2.419 835 D HA 0.050 4.687 4.640 -0.004 0.000 0.281 835 D C 0.435 176.747 176.300 0.019 0.000 1.398 835 D CA 0.483 54.472 54.000 -0.018 0.000 1.047 835 D CB 0.403 41.195 40.800 -0.013 0.000 1.115 835 D HN 0.212 nan 8.370 nan 0.000 0.540 836 K N 1.208 121.599 120.400 -0.015 0.000 2.761 836 K HA 0.251 4.569 4.320 -0.004 0.000 0.286 836 K C 1.082 177.708 176.600 0.043 0.000 1.019 836 K CA -0.799 55.482 56.287 -0.009 0.000 1.070 836 K CB 0.518 32.914 32.500 -0.173 0.000 1.387 836 K HN 0.146 nan 8.250 nan 0.000 0.509 837 L N 0.176 121.383 121.223 -0.027 0.000 2.276 837 L HA 0.166 4.504 4.340 -0.004 0.000 0.194 837 L C 0.115 176.875 176.870 -0.182 0.000 1.099 837 L CA 0.846 55.540 54.840 -0.243 0.000 0.800 837 L CB 0.348 42.296 42.059 -0.184 0.000 0.994 837 L HN 0.191 nan 8.230 nan 0.000 0.475 838 V N 2.216 122.092 119.914 -0.063 0.000 2.481 838 V HA 0.415 4.532 4.120 -0.004 0.000 0.286 838 V C -0.554 175.568 176.094 0.047 0.000 1.042 838 V CA -0.008 62.273 62.300 -0.032 0.000 0.928 838 V CB 0.831 32.653 31.823 -0.003 0.000 0.986 838 V HN 0.795 nan 8.190 nan 0.000 0.462 839 N N 1.753 120.473 118.700 0.033 0.000 3.339 839 N HA 0.228 4.966 4.740 -0.004 0.000 0.275 839 N C 0.531 176.067 175.510 0.042 0.000 1.514 839 N CA -0.653 52.435 53.050 0.063 0.000 0.879 839 N CB 0.957 39.465 38.487 0.034 0.000 1.557 839 N HN 0.370 nan 8.380 nan 0.000 0.524 840 E N 1.033 121.264 120.200 0.052 0.000 2.021 840 E HA -0.350 3.998 4.350 -0.004 0.000 0.200 840 E C 1.290 177.911 176.600 0.035 0.000 1.015 840 E CA 1.935 58.361 56.400 0.042 0.000 0.824 840 E CB -1.090 28.641 29.700 0.051 0.000 0.762 840 E HN 0.720 nan 8.360 nan 0.000 0.454 841 Q N 0.337 120.171 119.800 0.056 0.000 2.124 841 Q HA -0.239 4.099 4.340 -0.004 0.000 0.215 841 Q C 2.341 178.383 176.000 0.070 0.000 1.015 841 Q CA 2.309 58.166 55.803 0.089 0.000 0.890 841 Q CB -0.444 28.353 28.738 0.099 0.000 0.966 841 Q HN 0.309 nan 8.270 nan 0.000 0.412 842 L N 0.450 121.725 121.223 0.088 0.000 1.982 842 L HA -0.145 4.192 4.340 -0.004 0.000 0.206 842 L C 2.062 178.816 176.870 -0.194 0.000 1.078 842 L CA 1.540 56.343 54.840 -0.062 0.000 0.749 842 L CB -0.937 41.189 42.059 0.112 0.000 0.894 842 L HN 0.181 nan 8.230 nan 0.000 0.436 843 I N 0.443 120.932 120.570 -0.134 0.000 2.091 843 I HA -0.382 3.786 4.170 -0.004 0.000 0.240 843 I C 2.879 178.970 176.117 -0.044 0.000 1.046 843 I CA 2.054 63.261 61.300 -0.154 0.000 1.306 843 I CB -2.066 35.873 38.000 -0.103 0.000 1.018 843 I HN 0.634 nan 8.210 nan 0.000 0.404 844 S N 0.492 116.188 115.700 -0.007 0.000 2.380 844 S HA -0.246 4.222 4.470 -0.004 0.000 0.229 844 S C 1.861 176.465 174.600 0.006 0.000 1.043 844 S CA 1.544 59.762 58.200 0.029 0.000 1.038 844 S CB -0.330 62.893 63.200 0.038 0.000 0.872 844 S HN 0.377 nan 8.310 nan 0.000 0.456 845 M N 0.609 120.161 119.600 -0.080 0.000 2.563 845 M HA 0.409 4.887 4.480 -0.004 0.000 0.231 845 M C 1.278 177.478 176.300 -0.167 0.000 1.136 845 M CA 0.627 55.847 55.300 -0.132 0.000 1.026 845 M CB -0.286 32.163 32.600 -0.253 0.000 1.597 845 M HN 0.659 nan 8.290 nan 0.000 0.495 846 A N -2.525 120.227 122.820 -0.114 0.000 2.480 846 A HA 0.119 4.436 4.320 -0.004 0.000 0.191 846 A C 1.078 178.722 177.584 0.100 0.000 1.503 846 A CA -0.107 51.884 52.037 -0.077 0.000 1.110 846 A CB 0.232 19.121 19.000 -0.186 0.000 1.401 846 A HN 0.319 nan 8.150 nan 0.000 0.533 847 Y N -0.270 119.983 120.300 -0.079 0.000 2.594 847 Y HA 0.293 4.840 4.550 -0.004 0.000 0.283 847 Y C 2.321 178.200 175.900 -0.035 0.000 1.140 847 Y CA 0.813 58.877 58.100 -0.060 0.000 1.261 847 Y CB -0.233 38.198 38.460 -0.048 0.000 1.358 847 Y HN 0.238 nan 8.280 nan 0.000 0.513 848 G N -1.123 107.766 108.800 0.149 0.000 3.042 848 G HA2 0.106 4.063 3.960 -0.004 0.000 0.212 848 G HA3 0.106 4.063 3.960 -0.004 0.000 0.212 848 G C 1.102 176.045 174.900 0.071 0.000 1.166 848 G CA 0.282 45.431 45.100 0.083 0.000 0.767 848 G HN 0.324 nan 8.290 nan 0.000 0.546 849 Q N -1.052 118.794 119.800 0.078 0.000 2.243 849 Q HA 0.293 4.631 4.340 -0.004 0.000 0.167 849 Q C 1.978 178.035 176.000 0.096 0.000 0.619 849 Q CA -0.355 55.513 55.803 0.109 0.000 0.745 849 Q CB 0.085 28.914 28.738 0.151 0.000 1.071 849 Q HN 0.119 nan 8.270 nan 0.000 0.502 850 I N 1.056 121.682 120.570 0.092 0.000 2.226 850 I HA -0.112 4.056 4.170 -0.004 0.000 0.245 850 I C 2.099 178.228 176.117 0.020 0.000 1.100 850 I CA 1.799 63.142 61.300 0.072 0.000 1.374 850 I CB -1.045 36.986 38.000 0.052 0.000 1.057 850 I HN 0.512 nan 8.210 nan 0.000 0.413 851 G N -0.252 108.557 108.800 0.015 0.000 2.507 851 G HA2 -0.338 3.620 3.960 -0.004 0.000 0.221 851 G HA3 -0.338 3.620 3.960 -0.004 0.000 0.221 851 G C 1.675 176.539 174.900 -0.060 0.000 1.119 851 G CA 1.267 46.354 45.100 -0.021 0.000 0.751 851 G HN 0.239 nan 8.290 nan 0.000 0.574 852 M N 0.209 119.785 119.600 -0.040 0.000 2.102 852 M HA 0.245 4.722 4.480 -0.004 0.000 0.259 852 M C 2.492 178.745 176.300 -0.079 0.000 1.083 852 M CA 0.997 56.263 55.300 -0.057 0.000 1.141 852 M CB -0.489 32.097 32.600 -0.023 0.000 1.318 852 M HN 0.191 nan 8.290 nan 0.000 0.421 853 I N -0.277 120.263 120.570 -0.049 0.000 2.229 853 I HA -0.436 3.732 4.170 -0.004 0.000 0.250 853 I C 2.338 178.342 176.117 -0.189 0.000 1.096 853 I CA 1.594 62.848 61.300 -0.077 0.000 1.358 853 I CB -0.658 37.361 38.000 0.031 0.000 1.047 853 I HN 0.483 nan 8.210 nan 0.000 0.422 854 Q N 0.288 120.019 119.800 -0.115 0.000 2.046 854 Q HA -0.179 4.158 4.340 -0.004 0.000 0.200 854 Q C 2.519 178.429 176.000 -0.151 0.000 0.975 854 Q CA 1.602 57.332 55.803 -0.122 0.000 0.836 854 Q CB -0.240 28.453 28.738 -0.075 0.000 0.896 854 Q HN 0.604 nan 8.270 nan 0.000 0.428 855 A N 1.465 124.207 122.820 -0.130 0.000 1.870 855 A HA -0.271 4.046 4.320 -0.004 0.000 0.219 855 A C 2.060 179.560 177.584 -0.139 0.000 1.224 855 A CA 1.830 53.792 52.037 -0.125 0.000 0.650 855 A CB -1.239 17.661 19.000 -0.166 0.000 0.836 855 A HN 0.349 nan 8.150 nan 0.000 0.454 856 L N -0.985 120.115 121.223 -0.204 0.000 1.951 856 L HA -0.256 4.081 4.340 -0.004 0.000 0.222 856 L C 2.895 179.573 176.870 -0.320 0.000 1.078 856 L CA 1.760 56.481 54.840 -0.199 0.000 0.778 856 L CB -1.860 39.985 42.059 -0.356 0.000 0.893 856 L HN 0.544 nan 8.230 nan 0.000 0.436 857 G N -0.002 108.274 108.800 -0.873 0.000 2.759 857 G HA2 -0.347 3.611 3.960 -0.004 0.000 0.224 857 G HA3 -0.347 3.611 3.960 -0.004 0.000 0.224 857 G C 1.436 176.286 174.900 -0.082 0.000 1.173 857 G CA 1.361 46.146 45.100 -0.525 0.000 0.770 857 G HN 0.574 nan 8.290 nan 0.000 0.626 858 G N -1.207 107.537 108.800 -0.094 0.000 2.572 858 G HA2 0.099 4.056 3.960 -0.004 0.000 0.216 858 G HA3 0.099 4.056 3.960 -0.004 0.000 0.216 858 G C 1.461 175.770 174.900 -0.985 0.000 1.133 858 G CA 0.557 45.504 45.100 -0.255 0.000 0.791 858 G HN 0.321 nan 8.290 nan 0.000 0.538 859 F N 0.429 119.960 119.950 -0.699 0.000 2.270 859 F HA 0.254 4.778 4.527 -0.004 0.000 0.295 859 F C 2.026 177.479 175.800 -0.579 0.000 1.087 859 F CA -0.733 56.850 58.000 -0.695 0.000 1.365 859 F CB -0.476 38.302 39.000 -0.369 0.000 1.056 859 F HN 0.200 nan 8.300 nan 0.000 0.506 860 F N 0.632 120.395 119.950 -0.310 0.000 2.075 860 F HA -0.242 4.283 4.527 -0.004 0.000 0.297 860 F C 2.258 177.952 175.800 -0.177 0.000 1.113 860 F CA 2.267 60.163 58.000 -0.173 0.000 1.218 860 F CB -0.773 38.312 39.000 0.143 0.000 0.984 860 F HN -0.182 nan 8.300 nan 0.000 0.472 861 T N -0.005 114.745 114.554 0.327 0.000 2.803 861 T HA -0.310 4.037 4.350 -0.004 0.000 0.269 861 T C 1.558 176.174 174.700 -0.141 0.000 1.052 861 T CA 1.751 63.946 62.100 0.158 0.000 1.136 861 T CB -0.893 68.015 68.868 0.068 0.000 0.864 861 T HN 0.629 nan 8.240 nan 0.000 0.467 862 Y N 0.833 120.864 120.300 -0.448 0.000 2.165 862 Y HA -0.238 4.310 4.550 -0.004 0.000 0.286 862 Y C 1.859 177.620 175.900 -0.232 0.000 1.155 862 Y CA 1.311 59.160 58.100 -0.418 0.000 1.164 862 Y CB -0.278 37.830 38.460 -0.586 0.000 0.978 862 Y HN 0.106 nan 8.280 nan 0.000 0.513 863 F N -0.225 119.432 119.950 -0.488 0.000 2.098 863 F HA -0.170 4.354 4.527 -0.004 0.000 0.294 863 F C 2.452 177.671 175.800 -0.968 0.000 1.107 863 F CA 1.164 58.734 58.000 -0.717 0.000 1.234 863 F CB -1.437 37.305 39.000 -0.431 0.000 1.002 863 F HN -0.068 nan 8.300 nan 0.000 0.472 864 V N 0.443 120.054 119.914 -0.504 0.000 2.392 864 V HA -0.283 3.835 4.120 -0.004 0.000 0.249 864 V C 2.419 178.401 176.094 -0.186 0.000 1.059 864 V CA 1.159 63.254 62.300 -0.341 0.000 1.051 864 V CB -0.860 30.950 31.823 -0.021 0.000 0.658 864 V HN 0.193 nan 8.190 nan 0.000 0.455 865 I N -0.591 119.731 120.570 -0.412 0.000 2.567 865 I HA -0.143 4.025 4.170 -0.004 0.000 0.257 865 I C 2.081 178.022 176.117 -0.292 0.000 1.184 865 I CA 1.525 62.424 61.300 -0.669 0.000 1.451 865 I CB -1.076 36.526 38.000 -0.664 0.000 1.089 865 I HN 0.317 nan 8.210 nan 0.000 0.441 866 L N -0.487 120.541 121.223 -0.325 0.000 2.362 866 L HA 0.164 4.502 4.340 -0.004 0.000 0.204 866 L C 2.653 179.424 176.870 -0.165 0.000 1.060 866 L CA 0.683 55.390 54.840 -0.221 0.000 0.827 866 L CB -0.504 41.380 42.059 -0.291 0.000 1.027 866 L HN 0.078 nan 8.230 nan 0.000 0.474 867 A N 0.832 123.338 122.820 -0.524 0.000 1.859 867 A HA -0.277 4.040 4.320 -0.004 0.000 0.218 867 A C 1.551 179.113 177.584 -0.037 0.000 1.242 867 A CA 1.888 53.623 52.037 -0.503 0.000 0.661 867 A CB -0.897 17.484 19.000 -1.033 0.000 0.842 867 A HN 0.488 nan 8.150 nan 0.000 0.455 868 E N -0.097 120.110 120.200 0.012 0.000 2.780 868 E HA -0.010 4.338 4.350 -0.004 0.000 0.234 868 E C 0.344 177.019 176.600 0.124 0.000 1.425 868 E CA 0.087 56.535 56.400 0.081 0.000 1.481 868 E CB -0.259 29.478 29.700 0.063 0.000 1.357 868 E HN 0.566 nan 8.360 nan 0.000 0.431 869 N N -0.857 117.915 118.700 0.120 0.000 2.056 869 N HA -0.007 4.731 4.740 -0.004 0.000 0.291 869 N C 0.219 175.848 175.510 0.198 0.000 1.096 869 N CA 0.776 53.913 53.050 0.145 0.000 0.725 869 N CB 1.460 40.040 38.487 0.154 0.000 1.802 869 N HN 0.244 nan 8.380 nan 0.000 0.682 870 G N 1.098 109.998 108.800 0.166 0.000 4.340 870 G HA2 0.084 4.042 3.960 -0.004 0.000 0.232 870 G HA3 0.084 4.042 3.960 -0.004 0.000 0.232 870 G C -1.042 173.954 174.900 0.161 0.000 3.572 870 G CA -0.551 44.656 45.100 0.179 0.000 0.648 870 G HN 0.060 nan 8.290 nan 0.000 0.221 871 F N 1.687 121.623 119.950 -0.023 0.000 2.612 871 F HA 0.334 4.858 4.527 -0.004 0.000 0.389 871 F C 0.672 176.427 175.800 -0.075 0.000 1.055 871 F CA -0.401 57.548 58.000 -0.086 0.000 1.232 871 F CB 0.596 39.546 39.000 -0.083 0.000 1.044 871 F HN 0.155 nan 8.300 nan 0.000 0.560 872 L N 8.725 129.962 121.223 0.024 0.000 2.732 872 L HA 0.214 4.551 4.340 -0.004 0.000 0.246 872 L C -1.959 174.534 176.870 -0.629 0.000 1.407 872 L CA -1.330 53.387 54.840 -0.206 0.000 0.861 872 L CB 0.810 42.858 42.059 -0.018 0.000 1.161 872 L HN 0.363 nan 8.230 nan 0.000 0.510 873 P HA -0.040 nan 4.420 nan 0.000 0.230 873 P C 1.137 178.008 177.300 -0.715 0.000 1.158 873 P CA 0.960 63.298 63.100 -1.270 0.000 0.769 873 P CB 0.473 31.255 31.700 -1.530 0.000 0.807 874 I N -3.892 116.295 120.570 -0.638 0.000 4.592 874 I HA 0.140 4.308 4.170 -0.004 0.000 0.329 874 I C 1.222 177.000 176.117 -0.565 0.000 1.309 874 I CA 0.312 61.277 61.300 -0.559 0.000 1.243 874 I CB -0.438 37.190 38.000 -0.619 0.000 1.241 874 I HN 0.037 nan 8.210 nan 0.000 0.434 875 H N 0.247 119.159 119.070 -0.263 0.000 3.209 875 H HA 0.562 5.116 4.556 -0.004 0.000 0.225 875 H C 0.902 176.127 175.328 -0.172 0.000 1.599 875 H CA -0.545 55.394 56.048 -0.181 0.000 1.691 875 H CB 1.462 31.131 29.762 -0.155 0.000 1.473 875 H HN -0.181 nan 8.280 nan 0.000 0.981 876 L N -1.525 119.720 121.223 0.036 0.000 4.434 876 L HA -0.280 4.058 4.340 -0.004 0.000 0.053 876 L C 0.263 177.125 176.870 -0.013 0.000 4.043 876 L CA 1.186 56.018 54.840 -0.012 0.000 0.818 876 L CB -2.013 40.027 42.059 -0.033 0.000 3.417 876 L HN 0.577 nan 8.230 nan 0.000 1.073 877 L N 1.655 122.867 121.223 -0.019 0.000 5.477 877 L HA 0.210 4.548 4.340 -0.004 0.000 0.521 877 L C 0.790 177.634 176.870 -0.045 0.000 1.193 877 L CA 1.534 56.356 54.840 -0.030 0.000 0.586 877 L CB -2.293 39.743 42.059 -0.038 0.000 1.541 877 L HN 0.614 nan 8.230 nan 0.000 0.629 878 G N 0.088 108.860 108.800 -0.047 0.000 2.733 878 G HA2 0.549 4.507 3.960 -0.004 0.000 0.297 878 G HA3 0.549 4.507 3.960 -0.004 0.000 0.297 878 G C -1.172 173.695 174.900 -0.055 0.000 1.422 878 G CA -1.097 43.971 45.100 -0.053 0.000 0.942 878 G HN 0.165 nan 8.290 nan 0.000 0.510 879 L N 0.941 122.131 121.223 -0.056 0.000 2.584 879 L HA 0.404 4.742 4.340 -0.004 0.000 0.272 879 L C 0.668 177.537 176.870 -0.003 0.000 1.195 879 L CA 0.198 55.019 54.840 -0.033 0.000 0.920 879 L CB 0.178 42.217 42.059 -0.034 0.000 1.173 879 L HN 0.549 nan 8.230 nan 0.000 0.489 880 R N 4.828 125.339 120.500 0.018 0.000 3.436 880 R HA 0.375 4.713 4.340 -0.004 0.000 0.247 880 R C -0.593 175.742 176.300 0.058 0.000 1.434 880 R CA -0.543 55.578 56.100 0.034 0.000 1.543 880 R CB 0.097 30.419 30.300 0.037 0.000 1.289 880 R HN 0.732 nan 8.270 nan 0.000 0.664 881 V N 2.614 122.559 119.914 0.052 0.000 3.625 881 V HA -0.107 4.011 4.120 -0.004 0.000 0.302 881 V C 1.285 177.421 176.094 0.070 0.000 1.112 881 V CA 0.572 62.911 62.300 0.065 0.000 1.173 881 V CB 0.800 32.655 31.823 0.053 0.000 1.096 881 V HN 0.838 nan 8.190 nan 0.000 0.486 882 N N -0.341 118.414 118.700 0.092 0.000 2.082 882 N HA -0.041 4.696 4.740 -0.004 0.000 0.228 882 N C 1.105 176.696 175.510 0.135 0.000 1.341 882 N CA -0.068 53.044 53.050 0.104 0.000 0.873 882 N CB -0.030 38.532 38.487 0.124 0.000 1.137 882 N HN 0.892 nan 8.380 nan 0.000 0.505 883 W N 2.912 124.160 121.300 -0.087 0.000 2.576 883 W HA -0.066 4.592 4.660 -0.004 0.000 0.275 883 W C 0.567 176.923 176.519 -0.272 0.000 1.241 883 W CA 1.158 58.422 57.345 -0.135 0.000 1.328 883 W CB 0.391 29.775 29.460 -0.126 0.000 1.092 883 W HN 0.026 nan 8.180 nan 0.000 0.586 884 D N 0.497 120.617 120.400 -0.467 0.000 2.087 884 D HA -0.259 4.378 4.640 -0.004 0.000 0.192 884 D C 0.332 176.062 176.300 -0.951 0.000 0.993 884 D CA 1.715 55.154 54.000 -0.934 0.000 0.828 884 D CB -0.689 39.809 40.800 -0.505 0.000 0.968 884 D HN -0.066 nan 8.370 nan 0.000 0.448 885 D N -0.342 119.815 120.400 -0.406 0.000 4.736 885 D HA -0.244 4.394 4.640 -0.004 0.000 0.234 885 D C 0.675 176.933 176.300 -0.069 0.000 1.210 885 D CA 1.104 54.976 54.000 -0.213 0.000 1.126 885 D CB -0.628 40.016 40.800 -0.259 0.000 0.669 885 D HN 0.667 nan 8.370 nan 0.000 0.319 886 R N 2.032 122.560 120.500 0.047 0.000 1.373 886 R HA -0.323 4.015 4.340 -0.004 0.000 0.053 886 R C 1.517 177.944 176.300 0.212 0.000 0.951 886 R CA 2.712 58.886 56.100 0.123 0.000 1.972 886 R CB -1.988 28.374 30.300 0.104 0.000 0.285 886 R HN 0.461 nan 8.270 nan 0.000 0.723 887 W N 0.275 121.533 121.300 -0.070 0.000 2.120 887 W HA -0.210 4.448 4.660 -0.004 0.000 0.313 887 W C 1.099 177.588 176.519 -0.050 0.000 1.328 887 W CA 1.763 59.066 57.345 -0.069 0.000 1.427 887 W CB -0.394 29.016 29.460 -0.084 0.000 1.089 887 W HN 0.336 nan 8.180 nan 0.000 0.532 888 I N -2.416 118.261 120.570 0.178 0.000 3.354 888 I HA 0.322 4.489 4.170 -0.004 0.000 0.316 888 I C 0.408 176.573 176.117 0.081 0.000 1.182 888 I CA -0.897 60.460 61.300 0.095 0.000 0.942 888 I CB 1.480 39.528 38.000 0.080 0.000 1.299 888 I HN -0.161 nan 8.210 nan 0.000 0.473 889 N N 0.549 119.277 118.700 0.048 0.000 3.546 889 N HA 0.290 5.028 4.740 -0.004 0.000 0.362 889 N C -2.200 173.306 175.510 -0.006 0.000 1.477 889 N CA -0.224 52.860 53.050 0.056 0.000 0.841 889 N CB 1.740 40.300 38.487 0.121 0.000 2.283 889 N HN 0.695 nan 8.380 nan 0.000 0.497 890 D N -0.344 120.051 120.400 -0.008 0.000 2.720 890 D HA 0.285 4.922 4.640 -0.004 0.000 0.239 890 D C -1.046 175.216 176.300 -0.065 0.000 1.218 890 D CA 0.437 54.384 54.000 -0.088 0.000 0.748 890 D CB 1.517 42.240 40.800 -0.129 0.000 1.387 890 D HN 0.670 nan 8.370 nan 0.000 0.438 891 V N 0.470 120.281 119.914 -0.172 0.000 5.898 891 V HA -0.203 3.915 4.120 -0.004 0.000 0.205 891 V C -0.555 175.536 176.094 -0.004 0.000 0.697 891 V CA 1.062 63.289 62.300 -0.120 0.000 0.666 891 V CB -2.126 29.644 31.823 -0.088 0.000 0.661 891 V HN 0.909 nan 8.190 nan 0.000 0.417 892 E N 1.162 121.349 120.200 -0.022 0.000 2.369 892 E HA -0.090 4.258 4.350 -0.004 0.000 0.165 892 E C -0.118 176.502 176.600 0.032 0.000 1.622 892 E CA 1.501 57.900 56.400 -0.002 0.000 0.660 892 E CB -1.391 28.310 29.700 0.001 0.000 1.085 892 E HN 1.054 nan 8.360 nan 0.000 0.346 893 D N -0.952 119.469 120.400 0.035 0.000 2.677 893 D HA 0.435 5.073 4.640 -0.004 0.000 0.298 893 D C 0.082 176.351 176.300 -0.052 0.000 1.250 893 D CA -0.773 53.246 54.000 0.032 0.000 0.888 893 D CB 1.141 42.136 40.800 0.325 0.000 1.397 893 D HN -0.035 nan 8.370 nan 0.000 0.461 894 S N -0.962 114.611 115.700 -0.212 0.000 2.900 894 S HA 0.134 4.602 4.470 -0.004 0.000 0.253 894 S C -0.306 174.175 174.600 -0.198 0.000 1.029 894 S CA -0.406 57.656 58.200 -0.231 0.000 1.096 894 S CB -0.020 62.968 63.200 -0.353 0.000 1.067 894 S HN 0.314 nan 8.310 nan 0.000 0.610 895 Y N 2.651 122.858 120.300 -0.154 0.000 2.846 895 Y HA 0.136 4.683 4.550 -0.004 0.000 0.382 895 Y C 1.373 177.303 175.900 0.049 0.000 1.265 895 Y CA 1.166 59.328 58.100 0.103 0.000 1.639 895 Y CB -0.223 38.396 38.460 0.265 0.000 1.128 895 Y HN 0.374 nan 8.280 nan 0.000 0.531 896 G N 1.406 110.302 108.800 0.161 0.000 2.772 896 G HA2 0.086 4.043 3.960 -0.004 0.000 0.284 896 G HA3 0.086 4.043 3.960 -0.004 0.000 0.284 896 G C 0.142 175.050 174.900 0.014 0.000 1.217 896 G CA -0.284 44.864 45.100 0.080 0.000 0.831 896 G HN 0.366 nan 8.290 nan 0.000 0.523 897 Q N -0.165 119.582 119.800 -0.088 0.000 2.250 897 Q HA -0.350 3.987 4.340 -0.004 0.000 0.215 897 Q C 2.288 177.892 176.000 -0.661 0.000 1.002 897 Q CA 3.102 58.708 55.803 -0.328 0.000 0.910 897 Q CB -0.223 28.357 28.738 -0.263 0.000 0.939 897 Q HN 0.779 nan 8.270 nan 0.000 0.416 898 Q N -1.876 117.760 119.800 -0.272 0.000 2.008 898 Q HA -0.106 4.231 4.340 -0.004 0.000 0.196 898 Q C 0.243 176.412 176.000 0.282 0.000 0.973 898 Q CA 0.994 56.760 55.803 -0.061 0.000 0.826 898 Q CB -0.343 28.418 28.738 0.039 0.000 0.894 898 Q HN 0.309 nan 8.270 nan 0.000 0.439 899 W N 1.174 122.429 121.300 -0.075 0.000 1.844 899 W HA 0.463 5.120 4.660 -0.004 0.000 0.310 899 W C 0.060 176.706 176.519 0.211 0.000 0.760 899 W CA -0.754 56.637 57.345 0.077 0.000 2.103 899 W CB 0.514 29.908 29.460 -0.110 0.000 2.217 899 W HN 0.204 nan 8.180 nan 0.000 0.408 900 T N -1.844 112.907 114.554 0.328 0.000 3.545 900 T HA -0.081 4.267 4.350 -0.004 0.000 0.274 900 T C 1.429 176.331 174.700 0.336 0.000 0.989 900 T CA 0.329 62.592 62.100 0.271 0.000 1.129 900 T CB -0.275 68.706 68.868 0.187 0.000 1.165 900 T HN -0.176 nan 8.240 nan 0.000 0.436 901 Y N 2.393 122.794 120.300 0.168 0.000 2.207 901 Y HA 0.018 4.566 4.550 -0.004 0.000 0.287 901 Y C 2.429 178.427 175.900 0.164 0.000 1.156 901 Y CA 0.947 59.134 58.100 0.144 0.000 1.182 901 Y CB -0.462 38.079 38.460 0.136 0.000 0.979 901 Y HN 0.408 nan 8.280 nan 0.000 0.521 902 E N 0.483 120.888 120.200 0.342 0.000 2.170 902 E HA -0.164 4.183 4.350 -0.004 0.000 0.191 902 E C 2.072 178.839 176.600 0.279 0.000 0.981 902 E CA 0.603 57.150 56.400 0.245 0.000 0.830 902 E CB 0.009 29.770 29.700 0.103 0.000 0.775 902 E HN 0.680 nan 8.360 nan 0.000 0.470 903 Q N -0.042 119.976 119.800 0.363 0.000 2.268 903 Q HA -0.187 4.150 4.340 -0.004 0.000 0.210 903 Q C 1.891 177.968 176.000 0.128 0.000 0.988 903 Q CA 1.058 57.027 55.803 0.277 0.000 0.883 903 Q CB -0.111 28.748 28.738 0.201 0.000 0.911 903 Q HN 0.021 nan 8.270 nan 0.000 0.430 904 R N 0.287 120.874 120.500 0.145 0.000 2.237 904 R HA 0.116 4.454 4.340 -0.004 0.000 0.195 904 R C 1.407 177.760 176.300 0.090 0.000 0.956 904 R CA 0.268 56.421 56.100 0.089 0.000 1.029 904 R CB 0.282 30.633 30.300 0.085 0.000 0.972 904 R HN 0.199 nan 8.270 nan 0.000 0.493 905 K N 1.064 121.563 120.400 0.164 0.000 2.589 905 K HA -0.040 4.278 4.320 -0.004 0.000 0.195 905 K C 1.241 177.930 176.600 0.148 0.000 1.040 905 K CA 0.610 57.036 56.287 0.231 0.000 0.950 905 K CB 0.099 32.738 32.500 0.233 0.000 0.781 905 K HN 0.142 nan 8.250 nan 0.000 0.486 906 I N -0.594 120.024 120.570 0.080 0.000 3.860 906 I HA -0.023 4.144 4.170 -0.004 0.000 0.319 906 I C 1.763 177.865 176.117 -0.025 0.000 1.279 906 I CA 0.418 61.738 61.300 0.032 0.000 1.220 906 I CB -0.201 37.813 38.000 0.025 0.000 1.027 906 I HN -0.157 nan 8.210 nan 0.000 0.428 907 V N -0.842 119.036 119.914 -0.059 0.000 3.165 907 V HA 0.134 4.251 4.120 -0.004 0.000 0.231 907 V C 2.021 177.868 176.094 -0.411 0.000 1.365 907 V CA 0.429 62.609 62.300 -0.199 0.000 1.286 907 V CB 0.640 32.347 31.823 -0.193 0.000 1.081 907 V HN 0.018 nan 8.190 nan 0.000 0.477 908 E N 0.488 120.528 120.200 -0.267 0.000 1.969 908 E HA -0.146 4.201 4.350 -0.004 0.000 0.204 908 E C 1.873 178.431 176.600 -0.071 0.000 0.982 908 E CA 2.025 58.305 56.400 -0.200 0.000 0.871 908 E CB -0.667 28.933 29.700 -0.168 0.000 0.815 908 E HN 0.536 nan 8.360 nan 0.000 0.527 909 F N 1.034 120.980 119.950 -0.007 0.000 2.225 909 F HA -0.185 4.339 4.527 -0.004 0.000 0.302 909 F C 1.873 177.663 175.800 -0.017 0.000 1.068 909 F CA 1.097 59.097 58.000 -0.001 0.000 1.327 909 F CB -0.463 38.535 39.000 -0.004 0.000 1.043 909 F HN 0.058 nan 8.300 nan 0.000 0.506 910 T N -3.218 111.407 114.554 0.118 0.000 2.766 910 T HA 0.173 4.520 4.350 -0.004 0.000 0.245 910 T C 1.402 176.074 174.700 -0.045 0.000 1.045 910 T CA -0.133 61.960 62.100 -0.012 0.000 1.038 910 T CB 0.131 68.966 68.868 -0.054 0.000 2.089 910 T HN 0.046 nan 8.240 nan 0.000 0.546 911 C N 0.571 119.800 119.300 -0.117 0.000 5.221 911 C HA -0.335 4.122 4.460 -0.004 0.000 0.304 911 C C 2.312 177.429 174.990 0.211 0.000 2.237 911 C CA 2.071 61.101 59.018 0.019 0.000 2.141 911 C CB -2.146 25.681 27.740 0.144 0.000 3.019 911 C HN 0.947 nan 8.230 nan 0.000 0.284 912 H N -0.833 118.321 119.070 0.140 0.000 2.289 912 H HA -0.205 4.348 4.556 -0.004 0.000 0.294 912 H C 2.141 177.568 175.328 0.166 0.000 1.095 912 H CA 1.865 57.995 56.048 0.137 0.000 1.256 912 H CB -0.407 29.389 29.762 0.056 0.000 1.359 912 H HN 0.665 nan 8.280 nan 0.000 0.487 913 T N 1.016 115.713 114.554 0.238 0.000 2.580 913 T HA -0.144 4.204 4.350 -0.004 0.000 0.265 913 T C -0.669 174.011 174.700 -0.034 0.000 1.063 913 T CA 1.979 64.147 62.100 0.113 0.000 1.170 913 T CB -1.170 67.691 68.868 -0.013 0.000 0.863 913 T HN 0.340 nan 8.240 nan 0.000 0.418 914 P HA -0.051 nan 4.420 nan 0.000 0.217 914 P C 1.226 178.523 177.300 -0.006 0.000 1.148 914 P CA 0.982 63.953 63.100 -0.216 0.000 0.828 914 P CB -0.159 31.300 31.700 -0.402 0.000 0.783 915 F N -1.221 118.710 119.950 -0.032 0.000 2.074 915 F HA -0.164 4.361 4.527 -0.004 0.000 0.293 915 F C 2.215 178.054 175.800 0.065 0.000 1.116 915 F CA 0.676 58.697 58.000 0.034 0.000 1.212 915 F CB -0.476 38.572 39.000 0.080 0.000 0.998 915 F HN -0.161 nan 8.300 nan 0.000 0.471 916 F N 1.340 121.351 119.950 0.102 0.000 2.024 916 F HA -0.388 4.137 4.527 -0.004 0.000 0.296 916 F C 2.449 178.205 175.800 -0.075 0.000 1.137 916 F CA 2.338 60.304 58.000 -0.056 0.000 1.200 916 F CB -0.788 38.170 39.000 -0.070 0.000 0.954 916 F HN -0.023 nan 8.300 nan 0.000 0.497 917 V N 0.303 120.067 119.914 -0.249 0.000 2.324 917 V HA -0.335 3.782 4.120 -0.004 0.000 0.250 917 V C 2.277 178.251 176.094 -0.200 0.000 1.060 917 V CA 2.612 64.629 62.300 -0.472 0.000 1.042 917 V CB -2.055 29.212 31.823 -0.927 0.000 0.650 917 V HN 0.688 nan 8.190 nan 0.000 0.450 918 T N -1.633 112.878 114.554 -0.071 0.000 2.803 918 T HA -0.163 4.185 4.350 -0.004 0.000 0.269 918 T C 1.979 176.667 174.700 -0.020 0.000 1.052 918 T CA 1.698 63.782 62.100 -0.026 0.000 1.136 918 T CB -0.602 68.305 68.868 0.065 0.000 0.864 918 T HN 0.367 nan 8.240 nan 0.000 0.467 919 I N 1.475 122.092 120.570 0.078 0.000 2.252 919 I HA -0.049 4.118 4.170 -0.004 0.000 0.245 919 I C 2.564 178.654 176.117 -0.045 0.000 1.102 919 I CA 0.323 61.643 61.300 0.033 0.000 1.385 919 I CB -1.028 36.992 38.000 0.034 0.000 1.064 919 I HN 0.151 nan 8.210 nan 0.000 0.414 920 V N 0.596 120.507 119.914 -0.004 0.000 2.233 920 V HA -0.295 3.822 4.120 -0.004 0.000 0.247 920 V C 2.657 178.559 176.094 -0.321 0.000 1.050 920 V CA 1.911 64.208 62.300 -0.006 0.000 1.010 920 V CB -0.882 30.994 31.823 0.088 0.000 0.637 920 V HN 0.238 nan 8.190 nan 0.000 0.444 921 V N 0.811 120.389 119.914 -0.561 0.000 2.439 921 V HA -0.244 3.873 4.120 -0.004 0.000 0.253 921 V C 2.391 177.932 176.094 -0.922 0.000 1.074 921 V CA 2.245 63.809 62.300 -1.225 0.000 1.076 921 V CB -0.924 30.427 31.823 -0.786 0.000 0.664 921 V HN 0.604 nan 8.190 nan 0.000 0.461 922 V N -3.323 116.345 119.914 -0.410 0.000 2.788 922 V HA -0.046 4.071 4.120 -0.004 0.000 0.251 922 V C 2.185 178.212 176.094 -0.111 0.000 1.068 922 V CA 0.934 63.112 62.300 -0.203 0.000 1.090 922 V CB -0.657 31.106 31.823 -0.100 0.000 0.710 922 V HN 0.380 nan 8.190 nan 0.000 0.467 923 Q N -0.347 119.380 119.800 -0.121 0.000 2.439 923 Q HA -0.123 4.215 4.340 -0.004 0.000 0.211 923 Q C 1.792 177.960 176.000 0.280 0.000 0.978 923 Q CA 1.314 57.122 55.803 0.009 0.000 0.897 923 Q CB -0.213 28.524 28.738 -0.001 0.000 0.956 923 Q HN 0.850 nan 8.270 nan 0.000 0.483 924 W N 0.883 122.247 121.300 0.106 0.000 2.316 924 W HA -0.046 4.612 4.660 -0.004 0.000 0.324 924 W C 2.383 178.983 176.519 0.134 0.000 1.196 924 W CA 0.811 58.230 57.345 0.124 0.000 1.232 924 W CB -1.598 27.900 29.460 0.063 0.000 1.191 924 W HN 0.126 nan 8.180 nan 0.000 0.453 925 A N 0.172 123.229 122.820 0.396 0.000 2.148 925 A HA -0.260 4.057 4.320 -0.004 0.000 0.222 925 A C 1.746 179.441 177.584 0.185 0.000 1.161 925 A CA 2.423 54.641 52.037 0.301 0.000 0.662 925 A CB -0.879 18.323 19.000 0.337 0.000 0.799 925 A HN 0.345 nan 8.150 nan 0.000 0.466 926 D N -0.622 119.898 120.400 0.200 0.000 2.106 926 D HA -0.065 4.572 4.640 -0.004 0.000 0.203 926 D C 1.280 177.763 176.300 0.305 0.000 0.977 926 D CA 0.676 54.787 54.000 0.186 0.000 0.844 926 D CB -0.260 40.591 40.800 0.086 0.000 1.002 926 D HN 0.263 nan 8.370 nan 0.000 0.461 927 L N 0.383 121.879 121.223 0.455 0.000 3.062 927 L HA 0.092 4.430 4.340 -0.004 0.000 0.264 927 L C 0.009 176.948 176.870 0.115 0.000 1.242 927 L CA 0.480 55.502 54.840 0.302 0.000 1.072 927 L CB -0.046 42.217 42.059 0.340 0.000 1.420 927 L HN 0.016 nan 8.230 nan 0.000 0.412 928 V N -1.243 118.711 119.914 0.066 0.000 3.236 928 V HA 0.061 4.179 4.120 -0.004 0.000 0.254 928 V C 1.072 177.072 176.094 -0.157 0.000 1.761 928 V CA 0.375 62.644 62.300 -0.052 0.000 1.017 928 V CB 0.329 32.126 31.823 -0.043 0.000 0.911 928 V HN 0.295 nan 8.190 nan 0.000 0.374 929 I N 0.108 120.615 120.570 -0.104 0.000 3.228 929 I HA 0.092 4.260 4.170 -0.004 0.000 0.279 929 I C 1.608 177.702 176.117 -0.039 0.000 1.221 929 I CA 1.678 62.894 61.300 -0.140 0.000 1.458 929 I CB 0.160 38.103 38.000 -0.096 0.000 1.105 929 I HN 0.350 nan 8.210 nan 0.000 0.445 930 C N 0.162 119.478 119.300 0.027 0.000 2.791 930 C HA 0.143 4.601 4.460 -0.004 0.000 0.270 930 C C 2.412 177.414 174.990 0.020 0.000 1.257 930 C CA -0.332 58.733 59.018 0.079 0.000 1.699 930 C CB -0.928 26.900 27.740 0.147 0.000 1.904 930 C HN 0.398 nan 8.230 nan 0.000 0.603 931 K N 0.924 121.308 120.400 -0.025 0.000 2.148 931 K HA -0.096 4.222 4.320 -0.004 0.000 0.204 931 K C 1.050 177.623 176.600 -0.045 0.000 1.050 931 K CA 1.169 57.427 56.287 -0.048 0.000 0.942 931 K CB 0.032 32.493 32.500 -0.065 0.000 0.724 931 K HN 0.527 nan 8.250 nan 0.000 0.446 932 T N -1.469 113.056 114.554 -0.049 0.000 2.932 932 T HA 0.368 4.716 4.350 -0.004 0.000 0.289 932 T C 0.309 175.005 174.700 -0.007 0.000 1.039 932 T CA -0.798 61.278 62.100 -0.041 0.000 1.024 932 T CB 1.755 70.584 68.868 -0.066 0.000 1.090 932 T HN 0.122 nan 8.240 nan 0.000 0.496 933 R N 0.657 121.159 120.500 0.003 0.000 2.446 933 R HA 0.414 4.752 4.340 -0.004 0.000 0.254 933 R C 1.586 177.929 176.300 0.072 0.000 0.918 933 R CA -0.102 56.031 56.100 0.055 0.000 1.069 933 R CB 0.550 30.849 30.300 -0.000 0.000 1.194 933 R HN 0.492 nan 8.270 nan 0.000 0.534 934 R N -0.200 120.298 120.500 -0.004 0.000 2.320 934 R HA 0.130 4.468 4.340 -0.004 0.000 0.218 934 R C -1.150 175.111 176.300 -0.064 0.000 0.694 934 R CA -0.003 56.054 56.100 -0.073 0.000 0.936 934 R CB 0.526 30.777 30.300 -0.081 0.000 1.574 934 R HN 0.046 nan 8.270 nan 0.000 0.463 935 N N -0.326 118.347 118.700 -0.044 0.000 2.296 935 N HA 0.241 4.978 4.740 -0.004 0.000 0.294 935 N C -1.218 174.267 175.510 -0.041 0.000 1.033 935 N CA -0.376 52.656 53.050 -0.031 0.000 0.839 935 N CB 2.146 40.624 38.487 -0.016 0.000 1.395 935 N HN -0.128 nan 8.380 nan 0.000 0.479 936 S N 0.577 116.273 115.700 -0.007 0.000 2.563 936 S HA -0.022 4.445 4.470 -0.004 0.000 0.294 936 S C 1.599 176.144 174.600 -0.092 0.000 1.279 936 S CA -0.454 57.732 58.200 -0.024 0.000 1.069 936 S CB 0.340 63.653 63.200 0.189 0.000 0.828 936 S HN 0.405 nan 8.310 nan 0.000 0.497 937 V N 4.304 124.053 119.914 -0.275 0.000 2.944 937 V HA -0.203 3.914 4.120 -0.004 0.000 0.265 937 V C 1.426 177.424 176.094 -0.161 0.000 1.125 937 V CA 1.625 63.769 62.300 -0.260 0.000 1.145 937 V CB -1.208 30.382 31.823 -0.388 0.000 0.725 937 V HN 0.707 nan 8.190 nan 0.000 0.510 938 F N -0.132 119.837 119.950 0.032 0.000 2.016 938 F HA -0.027 4.498 4.527 -0.004 0.000 0.290 938 F C 2.103 177.918 175.800 0.025 0.000 1.166 938 F CA 0.979 59.005 58.000 0.044 0.000 1.156 938 F CB -0.898 38.134 39.000 0.054 0.000 0.995 938 F HN 0.024 nan 8.300 nan 0.000 0.477 939 Q N 1.250 121.197 119.800 0.246 0.000 2.380 939 Q HA 0.025 4.363 4.340 -0.004 0.000 0.254 939 Q C -0.680 175.364 176.000 0.073 0.000 0.927 939 Q CA 0.228 56.105 55.803 0.124 0.000 0.950 939 Q CB -0.375 28.419 28.738 0.093 0.000 1.206 939 Q HN 0.388 nan 8.270 nan 0.000 0.414 940 Q N -1.330 118.508 119.800 0.063 0.000 2.281 940 Q HA 0.415 4.752 4.340 -0.004 0.000 0.263 940 Q C -0.680 175.327 176.000 0.013 0.000 0.989 940 Q CA -0.348 55.468 55.803 0.022 0.000 0.852 940 Q CB 1.220 29.956 28.738 -0.005 0.000 1.337 940 Q HN 0.275 nan 8.270 nan 0.000 0.418 941 G N 3.240 112.046 108.800 0.009 0.000 2.163 941 G HA2 0.199 4.156 3.960 -0.004 0.000 0.239 941 G HA3 0.199 4.156 3.960 -0.004 0.000 0.239 941 G C 0.049 174.945 174.900 -0.007 0.000 1.148 941 G CA -0.112 44.992 45.100 0.005 0.000 0.880 941 G HN 0.584 nan 8.290 nan 0.000 0.466 942 M N 2.540 122.139 119.600 -0.001 0.000 2.876 942 M HA 0.213 4.690 4.480 -0.004 0.000 0.367 942 M C 0.949 177.245 176.300 -0.007 0.000 1.242 942 M CA -0.338 54.956 55.300 -0.010 0.000 0.889 942 M CB 0.076 32.677 32.600 0.001 0.000 1.353 942 M HN 0.667 nan 8.290 nan 0.000 0.511 943 K N -1.020 119.375 120.400 -0.008 0.000 2.832 943 K HA 0.253 4.570 4.320 -0.004 0.000 0.211 943 K C 0.172 176.759 176.600 -0.021 0.000 1.112 943 K CA -0.302 55.979 56.287 -0.011 0.000 1.108 943 K CB -0.081 32.414 32.500 -0.007 0.000 0.899 943 K HN 0.020 nan 8.250 nan 0.000 0.464 944 N N 3.007 121.693 118.700 -0.024 0.000 2.819 944 N HA -0.003 4.735 4.740 -0.004 0.000 0.284 944 N C 0.380 175.865 175.510 -0.042 0.000 1.196 944 N CA 0.115 53.147 53.050 -0.030 0.000 1.114 944 N CB 0.489 38.965 38.487 -0.018 0.000 1.437 944 N HN 0.145 nan 8.380 nan 0.000 0.518 945 K N 1.752 122.116 120.400 -0.060 0.000 2.071 945 K HA -0.220 4.098 4.320 -0.004 0.000 0.217 945 K C 1.694 178.266 176.600 -0.046 0.000 1.054 945 K CA 1.122 57.373 56.287 -0.058 0.000 0.937 945 K CB -0.310 32.098 32.500 -0.153 0.000 0.719 945 K HN 0.442 nan 8.250 nan 0.000 0.454 946 I N 1.306 121.787 120.570 -0.148 0.000 2.052 946 I HA -0.293 3.875 4.170 -0.004 0.000 0.235 946 I C 2.567 178.670 176.117 -0.023 0.000 1.046 946 I CA 1.121 62.339 61.300 -0.138 0.000 1.308 946 I CB -1.323 36.508 38.000 -0.281 0.000 1.031 946 I HN 0.153 nan 8.210 nan 0.000 0.395 947 L N 1.368 122.579 121.223 -0.020 0.000 1.980 947 L HA -0.277 4.061 4.340 -0.004 0.000 0.232 947 L C 2.387 179.223 176.870 -0.057 0.000 1.092 947 L CA 2.158 56.986 54.840 -0.021 0.000 0.808 947 L CB -1.494 40.547 42.059 -0.031 0.000 0.908 947 L HN 0.171 nan 8.230 nan 0.000 0.442 948 I N -0.450 120.059 120.570 -0.101 0.000 2.151 948 I HA -0.341 3.827 4.170 -0.004 0.000 0.236 948 I C 1.474 177.328 176.117 -0.438 0.000 1.000 948 I CA 1.783 62.910 61.300 -0.289 0.000 1.285 948 I CB -1.031 36.838 38.000 -0.218 0.000 0.994 948 I HN 0.200 nan 8.210 nan 0.000 0.396 949 F N 0.429 120.182 119.950 -0.328 0.000 2.679 949 F HA 0.364 4.888 4.527 -0.004 0.000 0.351 949 F C 1.241 176.975 175.800 -0.109 0.000 1.279 949 F CA 0.583 58.438 58.000 -0.241 0.000 1.227 949 F CB -0.239 38.656 39.000 -0.175 0.000 1.623 949 F HN 0.222 nan 8.300 nan 0.000 0.666 950 G N 0.975 109.778 108.800 0.005 0.000 3.989 950 G HA2 -0.167 3.791 3.960 -0.004 0.000 0.183 950 G HA3 -0.167 3.791 3.960 -0.004 0.000 0.183 950 G C 0.828 175.790 174.900 0.103 0.000 0.892 950 G CA -0.133 45.013 45.100 0.077 0.000 0.914 950 G HN 0.455 nan 8.290 nan 0.000 0.347 951 L N 0.363 121.609 121.223 0.039 0.000 2.127 951 L HA 0.246 4.583 4.340 -0.004 0.000 0.211 951 L C 2.319 179.349 176.870 0.266 0.000 1.089 951 L CA 1.698 56.605 54.840 0.112 0.000 0.757 951 L CB -0.261 41.792 42.059 -0.009 0.000 0.899 951 L HN 0.364 nan 8.230 nan 0.000 0.434 952 F N -0.317 119.564 119.950 -0.115 0.000 2.317 952 F HA -0.046 4.479 4.527 -0.004 0.000 0.293 952 F C 2.200 178.001 175.800 0.001 0.000 1.085 952 F CA 0.143 58.072 58.000 -0.119 0.000 1.390 952 F CB 0.027 38.890 39.000 -0.228 0.000 1.077 952 F HN 0.059 nan 8.300 nan 0.000 0.517 953 E N 0.490 120.827 120.200 0.228 0.000 2.515 953 E HA -0.198 4.149 4.350 -0.004 0.000 0.201 953 E C 1.572 178.287 176.600 0.192 0.000 1.071 953 E CA 0.634 57.143 56.400 0.181 0.000 0.880 953 E CB -0.075 29.713 29.700 0.146 0.000 0.828 953 E HN 0.579 nan 8.360 nan 0.000 0.540 954 E N 0.444 120.781 120.200 0.229 0.000 2.121 954 E HA -0.064 4.283 4.350 -0.004 0.000 0.194 954 E C 1.982 178.771 176.600 0.316 0.000 0.940 954 E CA 0.587 57.147 56.400 0.266 0.000 0.884 954 E CB -0.046 29.831 29.700 0.296 0.000 0.874 954 E HN -0.054 nan 8.360 nan 0.000 0.471 955 T N 0.486 115.254 114.554 0.358 0.000 2.721 955 T HA -0.212 4.136 4.350 -0.004 0.000 0.268 955 T C 1.662 176.578 174.700 0.360 0.000 1.038 955 T CA 1.786 64.149 62.100 0.438 0.000 1.145 955 T CB -0.347 68.720 68.868 0.332 0.000 0.858 955 T HN 0.375 nan 8.240 nan 0.000 0.459 956 A N 0.902 123.871 122.820 0.249 0.000 1.840 956 A HA 0.091 4.408 4.320 -0.004 0.000 0.214 956 A C 2.304 180.074 177.584 0.310 0.000 1.198 956 A CA 1.398 53.570 52.037 0.226 0.000 0.608 956 A CB -1.082 18.015 19.000 0.161 0.000 0.839 956 A HN 0.544 nan 8.150 nan 0.000 0.443 957 L N -0.415 120.975 121.223 0.278 0.000 2.010 957 L HA -0.316 4.021 4.340 -0.004 0.000 0.219 957 L C 2.823 179.915 176.870 0.370 0.000 1.077 957 L CA 2.033 57.050 54.840 0.295 0.000 0.773 957 L CB -0.585 41.615 42.059 0.236 0.000 0.892 957 L HN 0.471 nan 8.230 nan 0.000 0.436 958 A N -0.071 122.951 122.820 0.336 0.000 1.882 958 A HA -0.399 3.918 4.320 -0.004 0.000 0.220 958 A C 2.437 180.190 177.584 0.281 0.000 1.253 958 A CA 3.031 55.198 52.037 0.216 0.000 0.664 958 A CB -1.404 17.724 19.000 0.214 0.000 0.838 958 A HN 0.681 nan 8.150 nan 0.000 0.460 959 A N -2.004 121.173 122.820 0.594 0.000 1.883 959 A HA -0.078 4.240 4.320 -0.004 0.000 0.217 959 A C 2.097 180.074 177.584 0.654 0.000 1.186 959 A CA 1.853 54.381 52.037 0.817 0.000 0.624 959 A CB -0.762 18.611 19.000 0.621 0.000 0.822 959 A HN 0.789 nan 8.150 nan 0.000 0.444 960 F N -0.414 119.759 119.950 0.372 0.000 2.216 960 F HA -0.085 4.439 4.527 -0.004 0.000 0.300 960 F C 1.689 177.669 175.800 0.301 0.000 1.085 960 F CA 1.303 59.491 58.000 0.313 0.000 1.326 960 F CB -0.074 39.058 39.000 0.221 0.000 1.027 960 F HN 0.191 nan 8.300 nan 0.000 0.497 961 L N -0.292 121.249 121.223 0.530 0.000 2.492 961 L HA 0.033 4.371 4.340 -0.004 0.000 0.223 961 L C 2.203 179.238 176.870 0.275 0.000 1.132 961 L CA 1.473 56.568 54.840 0.425 0.000 0.850 961 L CB -0.756 41.574 42.059 0.452 0.000 0.966 961 L HN 0.252 nan 8.230 nan 0.000 0.454 962 S N -3.124 112.701 115.700 0.209 0.000 2.540 962 S HA 0.108 4.575 4.470 -0.004 0.000 0.218 962 S C 0.881 175.423 174.600 -0.096 0.000 0.977 962 S CA -0.082 58.112 58.200 -0.009 0.000 0.918 962 S CB -0.176 62.906 63.200 -0.197 0.000 0.806 962 S HN 0.393 nan 8.310 nan 0.000 0.496 963 Y N 1.015 121.467 120.300 0.252 0.000 2.666 963 Y HA 0.302 4.849 4.550 -0.004 0.000 0.260 963 Y C 0.883 176.864 175.900 0.136 0.000 1.089 963 Y CA -1.651 56.694 58.100 0.409 0.000 1.246 963 Y CB -0.386 38.293 38.460 0.365 0.000 1.353 963 Y HN 0.447 nan 8.280 nan 0.000 0.558 964 C N 2.081 121.413 119.300 0.055 0.000 2.625 964 C HA 0.098 4.555 4.460 -0.004 0.000 0.398 964 C C -1.855 173.131 174.990 -0.006 0.000 1.405 964 C CA -2.070 56.882 59.018 -0.110 0.000 1.398 964 C CB -1.200 26.597 27.740 0.094 0.000 2.318 964 C HN 0.243 nan 8.230 nan 0.000 0.623 965 P HA 0.219 nan 4.420 nan 0.000 0.219 965 P C 1.181 178.499 177.300 0.031 0.000 1.501 965 P CA 1.866 64.973 63.100 0.011 0.000 1.124 965 P CB -0.619 31.126 31.700 0.075 0.000 1.848 966 G N 0.224 109.045 108.800 0.034 0.000 4.142 966 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.131 966 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.131 966 G C 0.926 175.880 174.900 0.089 0.000 2.153 966 G CA -0.212 44.928 45.100 0.066 0.000 0.993 966 G HN 0.130 nan 8.290 nan 0.000 0.294 967 M N 2.352 122.016 119.600 0.107 0.000 2.435 967 M HA 0.044 4.522 4.480 -0.004 0.000 0.262 967 M C 2.415 178.779 176.300 0.107 0.000 1.065 967 M CA 1.534 56.903 55.300 0.114 0.000 1.076 967 M CB -1.434 31.253 32.600 0.145 0.000 1.403 967 M HN 0.446 nan 8.290 nan 0.000 0.454 968 G N -0.200 108.667 108.800 0.111 0.000 2.564 968 G HA2 -0.009 3.949 3.960 -0.004 0.000 0.216 968 G HA3 -0.009 3.949 3.960 -0.004 0.000 0.216 968 G C 1.623 176.613 174.900 0.150 0.000 1.124 968 G CA 0.512 45.693 45.100 0.134 0.000 0.764 968 G HN 0.372 nan 8.290 nan 0.000 0.550 969 V N 1.047 121.032 119.914 0.119 0.000 2.255 969 V HA 0.010 4.128 4.120 -0.004 0.000 0.243 969 V C 2.984 179.045 176.094 -0.056 0.000 1.038 969 V CA 1.815 64.152 62.300 0.061 0.000 1.008 969 V CB -0.658 31.219 31.823 0.089 0.000 0.645 969 V HN 0.381 nan 8.190 nan 0.000 0.449 970 A N -1.401 121.424 122.820 0.009 0.000 2.261 970 A HA 0.372 4.690 4.320 -0.004 0.000 0.208 970 A C 0.681 178.261 177.584 -0.006 0.000 1.223 970 A CA 0.766 52.810 52.037 0.011 0.000 0.833 970 A CB -0.312 18.732 19.000 0.073 0.000 0.830 970 A HN 0.442 nan 8.150 nan 0.000 0.483 971 L N -2.664 118.539 121.223 -0.034 0.000 2.542 971 L HA 0.598 4.935 4.340 -0.004 0.000 0.239 971 L C -0.029 176.797 176.870 -0.073 0.000 1.256 971 L CA -1.113 53.722 54.840 -0.008 0.000 1.282 971 L CB 0.764 42.871 42.059 0.080 0.000 1.667 971 L HN 0.128 nan 8.230 nan 0.000 0.484 972 R N -0.172 120.358 120.500 0.049 0.000 2.562 972 R HA 0.667 5.005 4.340 -0.004 0.000 0.217 972 R C -0.794 175.643 176.300 0.228 0.000 1.234 972 R CA -0.165 55.986 56.100 0.086 0.000 1.027 972 R CB 0.193 30.597 30.300 0.174 0.000 1.525 972 R HN 0.484 nan 8.270 nan 0.000 0.527 973 M N -1.640 118.111 119.600 0.252 0.000 2.779 973 M HA 0.356 4.833 4.480 -0.004 0.000 0.277 973 M C -1.374 174.967 176.300 0.068 0.000 1.284 973 M CA -0.677 54.755 55.300 0.219 0.000 0.801 973 M CB 1.237 34.052 32.600 0.358 0.000 1.712 973 M HN 0.455 nan 8.290 nan 0.000 0.453 974 Y N 3.350 123.626 120.300 -0.041 0.000 2.857 974 Y HA 0.067 4.614 4.550 -0.004 0.000 0.373 974 Y C -1.814 174.106 175.900 0.033 0.000 1.346 974 Y CA -1.190 56.850 58.100 -0.099 0.000 1.736 974 Y CB -0.597 37.907 38.460 0.073 0.000 1.236 974 Y HN 0.288 nan 8.280 nan 0.000 0.507 975 P HA 0.121 nan 4.420 nan 0.000 0.283 975 P C -0.718 176.956 177.300 0.623 0.000 1.271 975 P CA -0.823 62.570 63.100 0.488 0.000 0.841 975 P CB 1.841 33.658 31.700 0.194 0.000 1.122 976 L N 1.588 123.184 121.223 0.623 0.000 2.382 976 L HA 0.040 4.378 4.340 -0.004 0.000 0.259 976 L C 1.776 178.865 176.870 0.365 0.000 1.291 976 L CA -0.061 54.878 54.840 0.164 0.000 1.176 976 L CB -0.580 41.156 42.059 -0.539 0.000 1.373 976 L HN 0.312 nan 8.230 nan 0.000 0.426 977 K N 3.386 124.087 120.400 0.501 0.000 2.162 977 K HA -0.237 4.081 4.320 -0.004 0.000 0.219 977 K C -0.985 175.784 176.600 0.282 0.000 1.038 977 K CA 2.843 59.366 56.287 0.393 0.000 0.946 977 K CB -1.385 31.173 32.500 0.096 0.000 0.783 977 K HN 0.408 nan 8.250 nan 0.000 0.470 978 P HA -0.089 nan 4.420 nan 0.000 0.217 978 P C 0.462 177.616 177.300 -0.243 0.000 1.148 978 P CA 2.153 65.174 63.100 -0.131 0.000 0.828 978 P CB 0.149 31.748 31.700 -0.168 0.000 0.783 979 T N -6.063 108.523 114.554 0.053 0.000 3.074 979 T HA 0.070 4.417 4.350 -0.004 0.000 0.258 979 T C 0.977 176.026 174.700 0.582 0.000 0.891 979 T CA -0.392 61.812 62.100 0.173 0.000 0.867 979 T CB -0.795 68.062 68.868 -0.018 0.000 1.261 979 T HN 0.145 nan 8.240 nan 0.000 0.537 980 W N 0.690 122.184 121.300 0.323 0.000 3.003 980 W HA 0.058 4.716 4.660 -0.004 0.000 0.244 980 W C 0.724 177.376 176.519 0.222 0.000 1.304 980 W CA -0.321 57.168 57.345 0.240 0.000 1.420 980 W CB -0.043 29.526 29.460 0.182 0.000 1.127 980 W HN 0.394 nan 8.180 nan 0.000 0.702 981 W N -2.534 119.087 121.300 0.536 0.000 3.875 981 W HA 0.188 4.846 4.660 -0.004 0.000 0.221 981 W C 1.652 178.415 176.519 0.407 0.000 0.947 981 W CA -0.100 57.494 57.345 0.415 0.000 2.039 981 W CB -1.215 28.498 29.460 0.423 0.000 0.954 981 W HN -0.296 nan 8.180 nan 0.000 0.792 982 F N 0.972 121.219 119.950 0.495 0.000 2.411 982 F HA -0.262 4.262 4.527 -0.004 0.000 0.299 982 F C 2.024 178.006 175.800 0.304 0.000 1.077 982 F CA 0.593 58.820 58.000 0.378 0.000 1.439 982 F CB -0.822 38.259 39.000 0.134 0.000 1.085 982 F HN -0.072 nan 8.300 nan 0.000 0.564 983 C N 0.451 120.027 119.300 0.460 0.000 2.367 983 C HA -0.291 4.166 4.460 -0.004 0.000 0.276 983 C C 3.140 178.221 174.990 0.152 0.000 1.195 983 C CA 1.321 60.544 59.018 0.341 0.000 1.756 983 C CB -1.546 26.423 27.740 0.382 0.000 2.046 983 C HN 0.576 nan 8.230 nan 0.000 0.453 984 A N -0.723 122.186 122.820 0.150 0.000 2.014 984 A HA -0.073 4.245 4.320 -0.004 0.000 0.218 984 A C 1.871 179.510 177.584 0.092 0.000 1.163 984 A CA 1.030 53.123 52.037 0.093 0.000 0.652 984 A CB -0.843 18.163 19.000 0.010 0.000 0.808 984 A HN 0.485 nan 8.150 nan 0.000 0.449 985 F N 1.240 121.165 119.950 -0.041 0.000 2.101 985 F HA -0.212 4.313 4.527 -0.004 0.000 0.298 985 F C -0.652 175.125 175.800 -0.038 0.000 1.076 985 F CA 2.557 60.532 58.000 -0.041 0.000 1.248 985 F CB -1.187 37.824 39.000 0.018 0.000 0.999 985 F HN 0.208 nan 8.300 nan 0.000 0.488 986 P HA -0.162 nan 4.420 nan 0.000 0.220 986 P C 1.061 178.244 177.300 -0.195 0.000 1.148 986 P CA 1.546 64.614 63.100 -0.054 0.000 0.803 986 P CB -0.155 31.370 31.700 -0.292 0.000 0.782 987 Y N -0.601 119.669 120.300 -0.050 0.000 2.201 987 Y HA -0.046 4.501 4.550 -0.004 0.000 0.292 987 Y C 2.641 178.527 175.900 -0.022 0.000 1.119 987 Y CA 1.104 59.174 58.100 -0.051 0.000 1.127 987 Y CB -1.080 37.329 38.460 -0.086 0.000 1.019 987 Y HN -0.161 nan 8.280 nan 0.000 0.514 988 S N 0.452 116.204 115.700 0.087 0.000 2.399 988 S HA -0.245 4.222 4.470 -0.004 0.000 0.235 988 S C 2.022 176.686 174.600 0.107 0.000 1.063 988 S CA 1.437 59.652 58.200 0.026 0.000 1.070 988 S CB -0.667 62.440 63.200 -0.156 0.000 0.904 988 S HN 0.249 nan 8.310 nan 0.000 0.456 989 L N 0.767 122.033 121.223 0.071 0.000 1.955 989 L HA -0.097 4.241 4.340 -0.004 0.000 0.213 989 L C 2.388 179.348 176.870 0.150 0.000 1.072 989 L CA 1.727 56.615 54.840 0.080 0.000 0.755 989 L CB -1.366 40.723 42.059 0.050 0.000 0.888 989 L HN 0.347 nan 8.230 nan 0.000 0.432 990 L N 0.059 121.363 121.223 0.135 0.000 2.064 990 L HA -0.285 4.052 4.340 -0.004 0.000 0.216 990 L C 2.404 179.424 176.870 0.250 0.000 1.077 990 L CA 1.715 56.657 54.840 0.170 0.000 0.766 990 L CB -0.556 41.596 42.059 0.155 0.000 0.890 990 L HN 0.193 nan 8.230 nan 0.000 0.435 991 I N -1.729 118.989 120.570 0.248 0.000 2.032 991 I HA -0.387 3.781 4.170 -0.004 0.000 0.231 991 I C 2.275 178.580 176.117 0.312 0.000 1.035 991 I CA 1.953 63.410 61.300 0.261 0.000 1.312 991 I CB -0.716 37.403 38.000 0.198 0.000 1.041 991 I HN 0.294 nan 8.210 nan 0.000 0.390 992 F N 1.760 121.776 119.950 0.110 0.000 2.106 992 F HA -0.286 4.239 4.527 -0.004 0.000 0.299 992 F C 2.462 178.314 175.800 0.088 0.000 1.082 992 F CA 2.166 60.213 58.000 0.079 0.000 1.244 992 F CB -0.855 38.186 39.000 0.068 0.000 0.997 992 F HN 0.081 nan 8.300 nan 0.000 0.486 993 V N -0.878 119.336 119.914 0.501 0.000 2.427 993 V HA -0.220 3.898 4.120 -0.004 0.000 0.248 993 V C 2.178 178.476 176.094 0.340 0.000 1.051 993 V CA 1.859 64.385 62.300 0.376 0.000 1.048 993 V CB -1.521 30.441 31.823 0.231 0.000 0.666 993 V HN 0.462 nan 8.190 nan 0.000 0.456 994 Y N 2.341 122.741 120.300 0.168 0.000 2.090 994 Y HA -0.103 4.444 4.550 -0.004 0.000 0.274 994 Y C 2.459 178.415 175.900 0.094 0.000 1.110 994 Y CA 2.083 60.254 58.100 0.118 0.000 1.092 994 Y CB -1.092 37.429 38.460 0.102 0.000 0.992 994 Y HN 0.411 nan 8.280 nan 0.000 0.479 995 D N 0.033 120.297 120.400 -0.227 0.000 2.265 995 D HA -0.188 4.450 4.640 -0.004 0.000 0.208 995 D C 1.939 178.136 176.300 -0.170 0.000 0.977 995 D CA 1.296 55.089 54.000 -0.344 0.000 0.871 995 D CB -0.200 40.475 40.800 -0.208 0.000 0.925 995 D HN 0.467 nan 8.370 nan 0.000 0.485 996 E N -0.153 120.013 120.200 -0.057 0.000 2.110 996 E HA -0.110 4.237 4.350 -0.004 0.000 0.193 996 E C 2.066 178.682 176.600 0.026 0.000 0.988 996 E CA 0.865 57.254 56.400 -0.019 0.000 0.804 996 E CB -0.202 29.555 29.700 0.095 0.000 0.745 996 E HN 0.177 nan 8.360 nan 0.000 0.458 997 V N 1.904 121.847 119.914 0.048 0.000 2.323 997 V HA -0.245 3.873 4.120 -0.004 0.000 0.244 997 V C 2.541 178.637 176.094 0.004 0.000 1.041 997 V CA 2.156 64.497 62.300 0.067 0.000 1.025 997 V CB -0.875 31.026 31.823 0.129 0.000 0.656 997 V HN 0.381 nan 8.190 nan 0.000 0.451 998 R N 1.369 121.819 120.500 -0.084 0.000 2.096 998 R HA -0.228 4.110 4.340 -0.004 0.000 0.240 998 R C 2.206 178.451 176.300 -0.091 0.000 1.139 998 R CA 1.891 57.929 56.100 -0.102 0.000 0.952 998 R CB -0.721 29.451 30.300 -0.214 0.000 0.854 998 R HN 0.396 nan 8.270 nan 0.000 0.436 999 K N 0.941 121.280 120.400 -0.101 0.000 2.020 999 K HA -0.110 4.207 4.320 -0.004 0.000 0.212 999 K C 2.228 178.783 176.600 -0.075 0.000 1.050 999 K CA 1.824 58.049 56.287 -0.103 0.000 0.929 999 K CB -0.317 32.132 32.500 -0.086 0.000 0.714 999 K HN 0.203 nan 8.250 nan 0.000 0.443 1000 L N 0.885 122.093 121.223 -0.025 0.000 2.362 1000 L HA -0.144 4.193 4.340 -0.004 0.000 0.219 1000 L C 2.169 179.036 176.870 -0.004 0.000 1.134 1000 L CA 0.276 55.119 54.840 0.005 0.000 0.807 1000 L CB -0.178 41.914 42.059 0.055 0.000 0.927 1000 L HN 0.221 nan 8.230 nan 0.000 0.447 1001 I N -0.551 120.011 120.570 -0.013 0.000 2.296 1001 I HA -0.211 3.957 4.170 -0.004 0.000 0.242 1001 I C 2.492 178.580 176.117 -0.047 0.000 1.087 1001 I CA 1.044 62.344 61.300 0.001 0.000 1.393 1001 I CB -0.596 37.418 38.000 0.023 0.000 1.093 1001 I HN 0.121 nan 8.210 nan 0.000 0.421 1002 I N 1.056 121.569 120.570 -0.096 0.000 2.236 1002 I HA -0.326 3.841 4.170 -0.004 0.000 0.249 1002 I C 2.673 178.689 176.117 -0.168 0.000 1.102 1002 I CA 1.598 62.795 61.300 -0.172 0.000 1.365 1002 I CB -0.929 36.900 38.000 -0.285 0.000 1.051 1002 I HN 0.331 nan 8.210 nan 0.000 0.420 1003 R N -0.204 120.222 120.500 -0.123 0.000 2.052 1003 R HA -0.012 4.325 4.340 -0.004 0.000 0.224 1003 R C 2.312 178.566 176.300 -0.076 0.000 1.165 1003 R CA 0.372 56.413 56.100 -0.099 0.000 0.939 1003 R CB -0.369 29.890 30.300 -0.068 0.000 0.834 1003 R HN 0.161 nan 8.270 nan 0.000 0.435 1004 R N 1.097 121.572 120.500 -0.042 0.000 2.174 1004 R HA -0.129 4.209 4.340 -0.004 0.000 0.253 1004 R C 0.465 176.737 176.300 -0.046 0.000 1.165 1004 R CA 1.346 57.433 56.100 -0.023 0.000 0.984 1004 R CB -0.306 30.000 30.300 0.010 0.000 0.873 1004 R HN 0.203 nan 8.270 nan 0.000 0.456 1005 R N 0.267 120.713 120.500 -0.091 0.000 2.402 1005 R HA 0.162 4.500 4.340 -0.004 0.000 0.290 1005 R C -1.663 174.483 176.300 -0.255 0.000 1.321 1005 R CA -1.401 54.584 56.100 -0.191 0.000 1.283 1005 R CB 1.457 31.618 30.300 -0.231 0.000 1.111 1005 R HN 0.023 nan 8.270 nan 0.000 0.578 1006 P HA -0.202 nan 4.420 nan 0.000 0.212 1006 P C 1.255 178.429 177.300 -0.210 0.000 1.178 1006 P CA 1.688 64.681 63.100 -0.177 0.000 0.915 1006 P CB 0.223 31.849 31.700 -0.123 0.000 0.788 1007 G N -0.433 108.214 108.800 -0.255 0.000 2.479 1007 G HA2 0.043 4.001 3.960 -0.004 0.000 0.220 1007 G HA3 0.043 4.001 3.960 -0.004 0.000 0.220 1007 G C 0.899 175.604 174.900 -0.325 0.000 1.115 1007 G CA 0.746 45.695 45.100 -0.251 0.000 0.757 1007 G HN 0.730 nan 8.290 nan 0.000 0.560 1008 G N -1.711 106.792 108.800 -0.495 0.000 3.044 1008 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.648 1008 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.648 1008 G C 0.166 174.797 174.900 -0.449 0.000 1.620 1008 G CA 0.097 44.904 45.100 -0.489 0.000 1.109 1008 G HN 0.476 nan 8.290 nan 0.000 0.587 1009 W N -0.300 121.018 121.300 0.031 0.000 2.783 1009 W HA 0.490 5.148 4.660 -0.004 0.000 0.629 1009 W C 1.920 178.467 176.519 0.046 0.000 1.705 1009 W CA -0.081 57.286 57.345 0.037 0.000 0.909 1009 W CB -0.687 28.794 29.460 0.034 0.000 3.260 1009 W HN 0.487 nan 8.180 nan 0.000 0.710 1010 V N 1.549 121.674 119.914 0.351 0.000 2.363 1010 V HA -0.370 3.747 4.120 -0.004 0.000 0.254 1010 V C 1.945 178.141 176.094 0.169 0.000 1.074 1010 V CA 2.562 64.987 62.300 0.208 0.000 1.069 1010 V CB -1.338 30.586 31.823 0.168 0.000 0.659 1010 V HN 0.478 nan 8.190 nan 0.000 0.455 1011 E N 1.067 121.367 120.200 0.167 0.000 2.072 1011 E HA -0.197 4.150 4.350 -0.004 0.000 0.191 1011 E C 2.070 178.722 176.600 0.087 0.000 0.985 1011 E CA 1.418 57.882 56.400 0.106 0.000 0.801 1011 E CB -0.479 29.265 29.700 0.074 0.000 0.750 1011 E HN 0.612 nan 8.360 nan 0.000 0.452 1012 K N 0.187 120.626 120.400 0.066 0.000 2.243 1012 K HA -0.050 4.267 4.320 -0.004 0.000 0.201 1012 K C 1.747 178.451 176.600 0.175 0.000 1.051 1012 K CA 0.589 56.927 56.287 0.085 0.000 0.970 1012 K CB 0.178 32.670 32.500 -0.013 0.000 0.755 1012 K HN -0.055 nan 8.250 nan 0.000 0.465 1013 E N 0.263 120.547 120.200 0.140 0.000 2.204 1013 E HA -0.066 4.282 4.350 -0.004 0.000 0.195 1013 E C -0.109 176.573 176.600 0.137 0.000 0.990 1013 E CA 1.088 57.569 56.400 0.134 0.000 0.821 1013 E CB 0.273 30.055 29.700 0.136 0.000 0.750 1013 E HN 0.109 nan 8.360 nan 0.000 0.477 1014 T N 0.355 114.999 114.554 0.150 0.000 3.532 1014 T HA 0.143 4.491 4.350 -0.004 0.000 0.241 1014 T C 0.139 174.956 174.700 0.196 0.000 1.238 1014 T CA -0.500 61.687 62.100 0.144 0.000 1.405 1014 T CB -0.172 68.762 68.868 0.111 0.000 0.971 1014 T HN 0.215 nan 8.240 nan 0.000 0.640 1015 Y N 1.607 121.948 120.300 0.068 0.000 2.473 1015 Y HA 0.200 4.748 4.550 -0.004 0.000 0.238 1015 Y C 0.480 176.484 175.900 0.173 0.000 1.006 1015 Y CA 0.721 58.866 58.100 0.075 0.000 1.016 1015 Y CB 0.243 38.728 38.460 0.042 0.000 1.034 1015 Y HN 0.320 nan 8.280 nan 0.000 0.476 1016 Y N 0.000 120.414 120.300 0.191 0.000 2.660 1016 Y HA 0.000 4.548 4.550 -0.004 0.000 0.201 1016 Y CA 0.000 58.088 58.100 -0.020 0.000 1.940 1016 Y CB 0.000 38.529 38.460 0.115 0.000 1.050 1016 Y HN 0.000 nan 8.280 nan 0.000 0.758