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 2eab_1_A DATA FIRST_RESID 9 DATA SEQUENCE GDGDTSKDDW LWYKQPASQT DATATAGGNY GNPDNNRWQQ TTLPFGNGKI DATA SEQUENCE GGTVWGEVSR ERVTFNEETL WTGGPGSSTS YNGGNNETKG QNGATLRALN DATA SEQUENCE KQLANGAETV NPGNLTGGEN AAEQGNYLNW GDIYLDYGFN DTTVTEYRRD DATA SEQUENCE LNLSKGKADV TFKHDGVTYT REYFASNPDN VMVARLTASK AGKLNFNVSM DATA SEQUENCE PTNTNYSKTG ETTTVKGDTL TVKGALGNNG LLYNSQIKVV LDNGEGTLSE DATA SEQUENCE GSDGASLKVS DAKAVTLYIA AATDYKQKYP SYRTGETAAE VNTRVAKVVQ DATA SEQUENCE DAANKGYTAV KKAHIDDHSA IYDRVKIDLG QSGHSSDGAV ATDALLKAYQ DATA SEQUENCE RGSATTAQKR ELETLVYKYG RYLTIGSSRE NSQLPSNLQG IWSVTAGDNA DATA SEQUENCE HGNTPWGSDF HMNVNLQMNY WPTYSANMGE LAEPLIEYVE GLVKPGRVTA DATA SEQUENCE KVYAGAETTN PETTPIGEGE GYMAHTENTA YGWTAPGQSF SWGWSPAAVP DATA SEQUENCE WILQNVYEAY EYSGDPALLD RVYALLKEES HFYVNYMLHK AGSSSGDRLT DATA SEQUENCE TGVAYSPEQG PLGTDGNTYE SSLVWQMLND AIEAAKAKGD PDGLVGNTTD DATA SEQUENCE cSADNWAKND SGNFTDANAN RSWScAKSLL KPIEVGDSGQ IKEWYFEGAL DATA SEQUENCE GKKKDGSTIS GYQADNQHRH MSHLLGLFPG DLITIDNSEY MDAAKTSLRY DATA SEQUENCE RCFKGNVLQS NTGWAIGQRI NSWARTGDGN TTYQLVELQL KNAMYANLFD DATA SEQUENCE YHAPFQIDGN FGNTSGVDEM LLQSNSTFTD TAGKKYVNYT NILPALPDAW DATA SEQUENCE AGGSVSGLVA RGNFTVGTTW KNGKATEVRL TSNKGKQAAV KITAGGAQNY DATA SEQUENCE EVKNGDTAVN AKVVTNADGA SLLVFDTTAG TTYTITKK 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.957 3.960 -0.005 0.000 0.244 9 G C 0.000 174.924 174.900 0.040 0.000 0.946 9 G CA 0.000 45.136 45.100 0.059 0.000 0.502 10 D N -0.468 119.955 120.400 0.038 0.000 2.271 10 D HA 0.309 4.945 4.640 -0.005 0.000 0.206 10 D C 1.897 178.216 176.300 0.032 0.000 0.967 10 D CA 1.890 55.911 54.000 0.035 0.000 0.867 10 D CB 0.224 41.056 40.800 0.053 0.000 0.960 10 D HN 1.326 nan 8.370 nan 0.000 0.509 11 G N 1.151 109.968 108.800 0.028 0.000 2.528 11 G HA2 -0.281 3.675 3.960 -0.005 0.000 0.262 11 G HA3 -0.281 3.675 3.960 -0.005 0.000 0.262 11 G C -0.288 174.624 174.900 0.021 0.000 1.200 11 G CA -0.022 45.089 45.100 0.019 0.000 0.951 11 G HN 0.260 nan 8.290 nan 0.000 0.566 12 D N 1.549 121.955 120.400 0.010 0.000 2.344 12 D HA 0.441 5.078 4.640 -0.005 0.000 0.253 12 D C 1.759 178.066 176.300 0.011 0.000 1.255 12 D CA 0.801 54.800 54.000 -0.002 0.000 0.894 12 D CB 0.336 41.127 40.800 -0.016 0.000 1.067 12 D HN 0.735 nan 8.370 nan 0.000 0.492 13 T N -0.768 113.800 114.554 0.022 0.000 3.105 13 T HA -0.010 4.337 4.350 -0.005 0.000 0.253 13 T C 1.710 176.382 174.700 -0.047 0.000 1.047 13 T CA 0.250 62.384 62.100 0.056 0.000 0.944 13 T CB -0.107 68.884 68.868 0.205 0.000 1.016 13 T HN 0.212 nan 8.240 nan 0.000 0.544 14 S N 2.099 117.726 115.700 -0.122 0.000 2.419 14 S HA -0.065 4.402 4.470 -0.005 0.000 0.235 14 S C 1.707 176.117 174.600 -0.315 0.000 1.019 14 S CA 0.373 58.399 58.200 -0.289 0.000 0.982 14 S CB -0.347 62.713 63.200 -0.235 0.000 0.789 14 S HN 0.348 nan 8.310 nan 0.000 0.490 15 K N 1.264 121.578 120.400 -0.143 0.000 2.374 15 K HA 0.300 4.616 4.320 -0.005 0.000 0.196 15 K C -0.586 176.011 176.600 -0.006 0.000 1.023 15 K CA -0.012 56.221 56.287 -0.091 0.000 1.103 15 K CB -0.162 32.310 32.500 -0.046 0.000 0.848 15 K HN 0.427 nan 8.250 nan 0.000 0.528 16 D N 1.950 122.371 120.400 0.035 0.000 2.339 16 D HA 0.072 4.709 4.640 -0.005 0.000 0.245 16 D C -0.202 176.187 176.300 0.149 0.000 1.115 16 D CA 0.099 54.174 54.000 0.125 0.000 0.917 16 D CB 0.771 41.691 40.800 0.199 0.000 1.192 16 D HN -0.077 nan 8.370 nan 0.000 0.428 17 D N 1.164 121.704 120.400 0.233 0.000 2.295 17 D HA 0.163 4.800 4.640 -0.005 0.000 0.248 17 D C -0.309 176.210 176.300 0.364 0.000 1.154 17 D CA -0.078 54.079 54.000 0.261 0.000 0.857 17 D CB 0.531 41.507 40.800 0.293 0.000 1.117 17 D HN 0.174 nan 8.370 nan 0.000 0.468 18 W N 2.072 123.370 121.300 -0.004 0.000 2.702 18 W HA 0.371 5.028 4.660 -0.005 0.000 0.331 18 W C -0.622 175.890 176.519 -0.012 0.000 1.049 18 W CA -0.843 56.440 57.345 -0.103 0.000 1.230 18 W CB 0.773 30.044 29.460 -0.315 0.000 1.408 18 W HN 0.100 nan 8.180 nan 0.000 0.492 19 L N 5.036 126.301 121.223 0.070 0.000 2.292 19 L HA 0.494 4.831 4.340 -0.005 0.000 0.284 19 L C -0.086 176.797 176.870 0.022 0.000 1.065 19 L CA -0.349 54.454 54.840 -0.062 0.000 0.806 19 L CB 0.267 42.210 42.059 -0.193 0.000 1.175 19 L HN 0.408 nan 8.230 nan 0.000 0.431 20 W N 3.470 124.482 121.300 -0.481 0.000 3.167 20 W HA 0.626 5.283 4.660 -0.005 0.000 0.324 20 W C -2.297 173.758 176.519 -0.773 0.000 1.230 20 W CA -1.172 55.943 57.345 -0.383 0.000 1.184 20 W CB 0.783 30.219 29.460 -0.040 0.000 1.414 20 W HN 0.374 nan 8.180 nan 0.000 0.551 21 Y N 0.981 121.345 120.300 0.106 0.000 2.513 21 Y HA 0.306 4.853 4.550 -0.005 0.000 0.340 21 Y C 0.849 176.873 175.900 0.207 0.000 1.055 21 Y CA -1.192 56.897 58.100 -0.018 0.000 1.020 21 Y CB 2.798 41.236 38.460 -0.037 0.000 1.301 21 Y HN 0.353 nan 8.280 nan 0.000 0.453 22 K N 1.588 122.145 120.400 0.262 0.000 2.417 22 K HA 0.103 4.420 4.320 -0.005 0.000 0.196 22 K C -0.211 176.556 176.600 0.278 0.000 1.023 22 K CA 0.083 56.571 56.287 0.334 0.000 1.122 22 K CB 0.347 32.967 32.500 0.199 0.000 0.850 22 K HN 0.581 nan 8.250 nan 0.000 0.521 23 Q N -0.157 119.741 119.800 0.163 0.000 2.482 23 Q HA 0.349 4.686 4.340 -0.005 0.000 0.286 23 Q C -3.290 172.561 176.000 -0.249 0.000 1.007 23 Q CA -2.595 53.040 55.803 -0.281 0.000 0.801 23 Q CB 1.381 30.010 28.738 -0.182 0.000 1.455 23 Q HN -0.251 nan 8.270 nan 0.000 0.398 24 P HA -0.007 nan 4.420 nan 0.000 0.270 24 P C 0.404 177.645 177.300 -0.099 0.000 1.227 24 P CA 0.713 63.721 63.100 -0.153 0.000 0.788 24 P CB 0.294 31.886 31.700 -0.179 0.000 0.926 25 A N 2.108 124.898 122.820 -0.050 0.000 1.917 25 A HA -0.239 4.078 4.320 -0.005 0.000 0.219 25 A C 2.293 179.851 177.584 -0.044 0.000 1.182 25 A CA 2.802 54.756 52.037 -0.138 0.000 0.633 25 A CB -1.958 16.929 19.000 -0.189 0.000 0.819 25 A HN 0.679 nan 8.150 nan 0.000 0.448 26 S N -0.861 114.892 115.700 0.089 0.000 2.440 26 S HA -0.200 4.267 4.470 -0.005 0.000 0.238 26 S C 1.491 176.081 174.600 -0.016 0.000 1.010 26 S CA 1.514 59.762 58.200 0.080 0.000 0.972 26 S CB -0.354 62.892 63.200 0.077 0.000 0.774 26 S HN 0.726 nan 8.310 nan 0.000 0.501 27 Q N 0.590 120.349 119.800 -0.069 0.000 2.194 27 Q HA 0.242 4.579 4.340 -0.005 0.000 0.214 27 Q C -0.486 175.458 176.000 -0.093 0.000 0.838 27 Q CA -0.046 55.705 55.803 -0.087 0.000 0.972 27 Q CB 0.914 29.581 28.738 -0.120 0.000 1.131 27 Q HN 0.414 nan 8.270 nan 0.000 0.498 28 T N 1.080 115.564 114.554 -0.117 0.000 2.875 28 T HA 0.051 4.397 4.350 -0.005 0.000 0.284 28 T C -0.286 174.336 174.700 -0.131 0.000 0.995 28 T CA -0.617 61.401 62.100 -0.136 0.000 1.060 28 T CB 1.264 69.990 68.868 -0.237 0.000 0.967 28 T HN 0.046 nan 8.240 nan 0.000 0.476 29 D N 1.904 122.242 120.400 -0.104 0.000 2.451 29 D HA 0.115 4.751 4.640 -0.005 0.000 0.254 29 D C -0.028 176.188 176.300 -0.140 0.000 1.204 29 D CA 0.025 53.969 54.000 -0.094 0.000 0.896 29 D CB 0.462 41.227 40.800 -0.060 0.000 1.136 29 D HN 0.644 nan 8.370 nan 0.000 0.499 30 A N 2.986 125.719 122.820 -0.145 0.000 2.705 30 A HA 0.139 4.456 4.320 -0.005 0.000 0.294 30 A C 1.177 178.659 177.584 -0.171 0.000 1.039 30 A CA -0.232 51.679 52.037 -0.210 0.000 1.005 30 A CB -0.070 18.800 19.000 -0.215 0.000 1.192 30 A HN 0.540 nan 8.150 nan 0.000 0.513 31 T N -2.969 111.518 114.554 -0.113 0.000 3.107 31 T HA 0.485 4.832 4.350 -0.005 0.000 0.249 31 T C 0.931 175.592 174.700 -0.064 0.000 1.096 31 T CA 0.605 62.661 62.100 -0.073 0.000 1.012 31 T CB -0.170 68.674 68.868 -0.040 0.000 0.977 31 T HN 0.678 nan 8.240 nan 0.000 0.527 32 A N 1.861 124.631 122.820 -0.082 0.000 2.386 32 A HA 0.491 4.807 4.320 -0.005 0.000 0.246 32 A C 0.712 178.224 177.584 -0.119 0.000 1.089 32 A CA -0.414 51.585 52.037 -0.064 0.000 0.790 32 A CB -0.374 18.618 19.000 -0.014 0.000 1.042 32 A HN 0.408 nan 8.150 nan 0.000 0.497 33 T N 1.556 116.043 114.554 -0.111 0.000 2.849 33 T HA 0.244 4.590 4.350 -0.005 0.000 0.289 33 T C 1.524 176.177 174.700 -0.078 0.000 1.010 33 T CA 0.537 62.602 62.100 -0.059 0.000 1.161 33 T CB 0.642 69.529 68.868 0.032 0.000 0.989 33 T HN 0.903 nan 8.240 nan 0.000 0.523 34 A N 3.550 126.353 122.820 -0.028 0.000 1.874 34 A HA 0.503 4.819 4.320 -0.005 0.000 0.214 34 A C 1.498 179.125 177.584 0.072 0.000 1.189 34 A CA 0.906 52.932 52.037 -0.017 0.000 0.615 34 A CB -1.043 17.980 19.000 0.037 0.000 0.830 34 A HN 1.703 nan 8.150 nan 0.000 0.443 35 G N -2.482 106.391 108.800 0.122 0.000 2.795 35 G HA2 0.334 4.291 3.960 -0.005 0.000 0.664 35 G HA3 0.334 4.291 3.960 -0.005 0.000 0.664 35 G C 0.390 175.399 174.900 0.181 0.000 1.381 35 G CA -0.317 44.889 45.100 0.176 0.000 0.853 35 G HN 1.493 nan 8.290 nan 0.000 0.545 36 G N -0.597 108.272 108.800 0.114 0.000 2.414 36 G HA2 0.446 4.403 3.960 -0.005 0.000 0.236 36 G HA3 0.446 4.403 3.960 -0.005 0.000 0.236 36 G C 0.892 175.826 174.900 0.056 0.000 1.293 36 G CA 1.180 46.290 45.100 0.017 0.000 0.869 36 G HN 1.815 nan 8.290 nan 0.000 0.556 37 N N -0.276 118.407 118.700 -0.028 0.000 2.965 37 N HA -0.192 4.545 4.740 -0.005 0.000 0.232 37 N C -0.095 175.275 175.510 -0.234 0.000 0.913 37 N CA 1.558 54.521 53.050 -0.145 0.000 0.981 37 N CB -1.113 37.228 38.487 -0.244 0.000 1.077 37 N HN 0.720 nan 8.380 nan 0.000 0.589 38 Y N -0.289 120.012 120.300 0.002 0.000 2.734 38 Y HA 0.419 4.965 4.550 -0.007 0.000 0.278 38 Y C 1.855 177.764 175.900 0.016 0.000 1.108 38 Y CA 0.132 58.250 58.100 0.030 0.000 1.211 38 Y CB 0.611 39.112 38.460 0.067 0.000 1.182 38 Y HN 0.114 nan 8.280 nan 0.000 0.547 39 G N 0.067 108.915 108.800 0.080 0.000 2.443 39 G HA2 -0.239 3.717 3.960 -0.005 0.000 0.219 39 G HA3 -0.239 3.717 3.960 -0.005 0.000 0.219 39 G C 0.757 175.681 174.900 0.040 0.000 1.131 39 G CA 0.098 45.228 45.100 0.050 0.000 0.775 39 G HN 0.224 nan 8.290 nan 0.000 0.547 40 N N 1.102 119.819 118.700 0.028 0.000 2.431 40 N HA 0.159 4.896 4.740 -0.005 0.000 0.265 40 N C -1.530 174.026 175.510 0.077 0.000 1.184 40 N CA -1.914 51.155 53.050 0.031 0.000 0.943 40 N CB 1.769 40.256 38.487 0.001 0.000 1.080 40 N HN -0.107 nan 8.380 nan 0.000 0.477 41 P HA -0.106 nan 4.420 nan 0.000 0.218 41 P C 0.636 178.011 177.300 0.125 0.000 1.148 41 P CA 1.030 64.176 63.100 0.076 0.000 0.822 41 P CB 0.347 32.075 31.700 0.047 0.000 0.784 42 D N -1.302 119.182 120.400 0.140 0.000 2.117 42 D HA -0.135 4.501 4.640 -0.005 0.000 0.198 42 D C 1.727 178.239 176.300 0.353 0.000 0.982 42 D CA 1.044 55.182 54.000 0.231 0.000 0.828 42 D CB -0.419 40.469 40.800 0.147 0.000 0.967 42 D HN -0.071 nan 8.370 nan 0.000 0.464 43 N N 0.226 119.084 118.700 0.263 0.000 2.142 43 N HA -0.158 4.579 4.740 -0.005 0.000 0.186 43 N C 1.519 177.366 175.510 0.562 0.000 1.023 43 N CA 0.789 54.044 53.050 0.342 0.000 0.852 43 N CB -0.655 37.882 38.487 0.082 0.000 0.998 43 N HN 0.264 nan 8.380 nan 0.000 0.424 44 N N 1.128 120.072 118.700 0.408 0.000 2.120 44 N HA -0.143 4.593 4.740 -0.005 0.000 0.188 44 N C 1.719 177.238 175.510 0.015 0.000 1.024 44 N CA 0.917 54.099 53.050 0.220 0.000 0.852 44 N CB -0.012 38.528 38.487 0.089 0.000 1.003 44 N HN 0.019 nan 8.380 nan 0.000 0.424 45 R N -0.533 120.012 120.500 0.074 0.000 2.091 45 R HA -0.132 4.205 4.340 -0.005 0.000 0.238 45 R C 1.921 178.077 176.300 -0.240 0.000 1.136 45 R CA 1.719 57.790 56.100 -0.049 0.000 0.959 45 R CB -1.069 29.308 30.300 0.128 0.000 0.856 45 R HN 0.541 nan 8.270 nan 0.000 0.437 46 W N 1.835 122.997 121.300 -0.231 0.000 2.317 46 W HA -0.321 4.334 4.660 -0.007 0.000 0.318 46 W C 2.072 178.380 176.519 -0.352 0.000 1.227 46 W CA 2.498 59.577 57.345 -0.444 0.000 1.269 46 W CB -0.516 28.983 29.460 0.065 0.000 1.155 46 W HN 0.421 nan 8.180 nan 0.000 0.484 47 Q N -0.697 118.995 119.800 -0.179 0.000 2.297 47 Q HA -0.178 4.158 4.340 -0.005 0.000 0.204 47 Q C 1.873 177.513 176.000 -0.601 0.000 0.962 47 Q CA 1.666 57.179 55.803 -0.482 0.000 0.879 47 Q CB -0.631 28.073 28.738 -0.057 0.000 0.947 47 Q HN 0.491 nan 8.270 nan 0.000 0.462 48 Q N 0.341 119.714 119.800 -0.712 0.000 2.402 48 Q HA 0.024 4.361 4.340 -0.005 0.000 0.206 48 Q C 1.176 176.831 176.000 -0.575 0.000 0.919 48 Q CA 1.472 56.826 55.803 -0.748 0.000 0.923 48 Q CB 0.941 29.173 28.738 -0.843 0.000 1.048 48 Q HN 0.659 nan 8.270 nan 0.000 0.515 49 T N -3.503 110.633 114.554 -0.696 0.000 2.993 49 T HA 0.041 4.388 4.350 -0.005 0.000 0.260 49 T C 0.979 175.170 174.700 -0.849 0.000 0.939 49 T CA 0.228 61.907 62.100 -0.702 0.000 0.886 49 T CB 0.205 68.735 68.868 -0.563 0.000 1.209 49 T HN 0.158 nan 8.240 nan 0.000 0.518 50 T N 1.312 115.256 114.554 -1.017 0.000 2.874 50 T HA 0.697 5.044 4.350 -0.005 0.000 0.281 50 T C -0.260 173.932 174.700 -0.847 0.000 0.994 50 T CA -0.843 60.674 62.100 -0.971 0.000 1.015 50 T CB 0.958 69.112 68.868 -1.190 0.000 1.028 50 T HN 0.279 nan 8.240 nan 0.000 0.523 51 L N 2.957 123.836 121.223 -0.573 0.000 2.305 51 L HA 0.471 4.808 4.340 -0.005 0.000 0.284 51 L C -2.232 174.471 176.870 -0.278 0.000 1.013 51 L CA -2.387 52.193 54.840 -0.433 0.000 0.819 51 L CB 2.166 44.068 42.059 -0.263 0.000 1.227 51 L HN 0.547 nan 8.230 nan 0.000 0.417 52 P HA 0.420 nan 4.420 nan 0.000 0.286 52 P C -1.292 176.047 177.300 0.066 0.000 1.261 52 P CA -0.314 62.494 63.100 -0.486 0.000 0.821 52 P CB 1.302 32.236 31.700 -1.277 0.000 1.013 53 F N -0.924 119.110 119.950 0.140 0.000 2.668 53 F HA 0.890 5.413 4.527 -0.006 0.000 0.309 53 F C -0.761 175.385 175.800 0.577 0.000 1.117 53 F CA -0.786 57.440 58.000 0.377 0.000 0.951 53 F CB 1.449 40.631 39.000 0.303 0.000 1.323 53 F HN 0.637 nan 8.300 nan 0.000 0.451 54 G N 0.876 109.975 108.800 0.498 0.000 2.506 54 G HA2 0.359 4.315 3.960 -0.005 0.000 0.292 54 G HA3 0.359 4.315 3.960 -0.005 0.000 0.292 54 G C -1.801 173.260 174.900 0.269 0.000 1.425 54 G CA -0.660 44.598 45.100 0.264 0.000 0.788 54 G HN 1.127 nan 8.290 nan 0.000 0.490 55 N N -1.037 117.757 118.700 0.156 0.000 2.282 55 N HA 0.367 5.103 4.740 -0.005 0.000 0.240 55 N C 1.334 176.899 175.510 0.092 0.000 1.182 55 N CA 0.708 53.862 53.050 0.173 0.000 0.874 55 N CB 0.872 39.473 38.487 0.190 0.000 1.126 55 N HN 2.025 nan 8.380 nan 0.000 0.516 56 G N 0.240 109.055 108.800 0.024 0.000 2.225 56 G HA2 -0.352 3.605 3.960 -0.005 0.000 0.254 56 G HA3 -0.352 3.605 3.960 -0.005 0.000 0.254 56 G C 0.826 175.690 174.900 -0.060 0.000 0.988 56 G CA 0.770 45.855 45.100 -0.025 0.000 0.625 56 G HN 0.495 nan 8.290 nan 0.000 0.527 57 K N -0.621 119.748 120.400 -0.053 0.000 2.509 57 K HA 0.398 4.715 4.320 -0.005 0.000 0.205 57 K C 1.192 177.724 176.600 -0.114 0.000 1.336 57 K CA 0.530 56.790 56.287 -0.044 0.000 0.912 57 K CB 0.473 32.986 32.500 0.021 0.000 1.568 57 K HN 0.561 nan 8.250 nan 0.000 0.475 58 I N -0.687 119.804 120.570 -0.132 0.000 2.498 58 I HA 0.645 4.812 4.170 -0.005 0.000 0.301 58 I C -0.191 175.719 176.117 -0.344 0.000 0.984 58 I CA -0.820 60.298 61.300 -0.303 0.000 1.204 58 I CB 1.836 39.700 38.000 -0.226 0.000 1.362 58 I HN 0.025 nan 8.210 nan 0.000 0.471 59 G N 2.279 110.745 108.800 -0.557 0.000 2.659 59 G HA2 0.699 4.656 3.960 -0.005 0.000 0.296 59 G HA3 0.699 4.656 3.960 -0.005 0.000 0.296 59 G C -1.164 173.443 174.900 -0.489 0.000 1.369 59 G CA -0.827 44.017 45.100 -0.426 0.000 0.937 59 G HN 1.025 nan 8.290 nan 0.000 0.485 60 G N -0.585 107.810 108.800 -0.676 0.000 2.533 60 G HA2 0.720 4.677 3.960 -0.005 0.000 0.304 60 G HA3 0.720 4.677 3.960 -0.005 0.000 0.304 60 G C -0.642 174.161 174.900 -0.160 0.000 1.263 60 G CA -0.552 44.257 45.100 -0.484 0.000 0.964 60 G HN 0.999 nan 8.290 nan 0.000 0.479 61 T N -1.131 113.500 114.554 0.128 0.000 2.847 61 T HA 0.531 4.878 4.350 -0.005 0.000 0.291 61 T C -0.462 174.288 174.700 0.083 0.000 0.998 61 T CA -0.586 61.565 62.100 0.084 0.000 0.967 61 T CB 1.506 70.493 68.868 0.198 0.000 0.954 61 T HN 0.385 nan 8.240 nan 0.000 0.441 62 V N 3.617 123.522 119.914 -0.015 0.000 2.432 62 V HA 0.210 4.327 4.120 -0.005 0.000 0.275 62 V C 0.276 176.339 176.094 -0.052 0.000 1.043 62 V CA -0.445 61.842 62.300 -0.021 0.000 0.925 62 V CB 0.765 32.539 31.823 -0.081 0.000 0.985 62 V HN 0.992 nan 8.190 nan 0.000 0.466 63 W N 2.351 123.603 121.300 -0.081 0.000 2.539 63 W HA 0.347 5.003 4.660 -0.007 0.000 0.281 63 W C 1.896 178.407 176.519 -0.013 0.000 1.220 63 W CA 0.686 57.994 57.345 -0.061 0.000 1.332 63 W CB -0.378 29.068 29.460 -0.023 0.000 1.095 63 W HN 0.860 nan 8.180 nan 0.000 0.571 64 G N 0.989 109.952 108.800 0.271 0.000 2.198 64 G HA2 -0.253 3.703 3.960 -0.005 0.000 0.257 64 G HA3 -0.253 3.703 3.960 -0.005 0.000 0.257 64 G C 0.051 175.123 174.900 0.287 0.000 1.042 64 G CA -0.144 45.129 45.100 0.289 0.000 0.791 64 G HN 0.093 nan 8.290 nan 0.000 0.502 65 E N -0.447 119.873 120.200 0.200 0.000 2.398 65 E HA 0.316 4.663 4.350 -0.005 0.000 0.263 65 E C 1.754 178.352 176.600 -0.004 0.000 1.046 65 E CA -0.117 56.331 56.400 0.079 0.000 0.908 65 E CB 1.284 31.017 29.700 0.055 0.000 0.963 65 E HN 0.084 nan 8.360 nan 0.000 0.431 66 V N 1.966 121.782 119.914 -0.162 0.000 2.244 66 V HA -0.230 3.887 4.120 -0.005 0.000 0.244 66 V C 2.147 178.130 176.094 -0.184 0.000 1.042 66 V CA 2.360 64.402 62.300 -0.431 0.000 1.006 66 V CB -0.298 31.194 31.823 -0.551 0.000 0.641 66 V HN 0.661 nan 8.190 nan 0.000 0.446 67 S N -1.111 114.556 115.700 -0.056 0.000 2.433 67 S HA 0.078 4.544 4.470 -0.005 0.000 0.216 67 S C 1.442 176.029 174.600 -0.022 0.000 1.031 67 S CA 0.032 58.209 58.200 -0.038 0.000 0.931 67 S CB -0.008 63.212 63.200 0.033 0.000 0.875 67 S HN 0.434 nan 8.310 nan 0.000 0.553 68 R N 2.034 122.537 120.500 0.006 0.000 2.825 68 R HA 0.260 4.597 4.340 -0.005 0.000 0.261 68 R C -0.682 175.681 176.300 0.105 0.000 1.341 68 R CA -0.245 55.891 56.100 0.060 0.000 1.353 68 R CB 0.180 30.483 30.300 0.004 0.000 1.191 68 R HN 0.242 nan 8.270 nan 0.000 0.590 69 E N 2.382 122.664 120.200 0.138 0.000 2.398 69 E HA 0.001 4.348 4.350 -0.005 0.000 0.263 69 E C -0.900 175.750 176.600 0.082 0.000 1.046 69 E CA 0.186 56.663 56.400 0.129 0.000 0.908 69 E CB 0.655 30.463 29.700 0.180 0.000 0.963 69 E HN 0.462 nan 8.360 nan 0.000 0.431 70 R N 2.835 123.316 120.500 -0.032 0.000 2.574 70 R HA 0.494 4.831 4.340 -0.005 0.000 0.288 70 R C -1.855 174.414 176.300 -0.052 0.000 1.004 70 R CA -0.760 55.155 56.100 -0.308 0.000 0.895 70 R CB 1.420 31.278 30.300 -0.737 0.000 1.191 70 R HN 0.395 nan 8.270 nan 0.000 0.444 71 V N 3.633 123.488 119.914 -0.098 0.000 2.349 71 V HA 0.261 4.378 4.120 -0.005 0.000 0.284 71 V C -0.041 176.126 176.094 0.122 0.000 1.014 71 V CA -0.721 61.612 62.300 0.055 0.000 0.826 71 V CB 1.670 33.459 31.823 -0.057 0.000 1.009 71 V HN 0.814 nan 8.190 nan 0.000 0.431 72 T N 5.800 120.545 114.554 0.319 0.000 2.916 72 T HA 0.340 4.687 4.350 -0.005 0.000 0.303 72 T C -0.576 174.289 174.700 0.276 0.000 1.025 72 T CA 0.582 62.867 62.100 0.307 0.000 1.142 72 T CB 0.162 69.330 68.868 0.499 0.000 0.947 72 T HN 0.431 nan 8.240 nan 0.000 0.544 73 F N 3.612 123.595 119.950 0.054 0.000 2.520 73 F HA 0.535 5.059 4.527 -0.006 0.000 0.322 73 F C -0.119 175.691 175.800 0.017 0.000 1.103 73 F CA -0.887 57.108 58.000 -0.008 0.000 0.926 73 F CB 1.358 40.304 39.000 -0.091 0.000 1.154 73 F HN 0.419 nan 8.300 nan 0.000 0.453 74 N N 3.578 121.820 118.700 -0.764 0.000 2.242 74 N HA 0.243 4.979 4.740 -0.005 0.000 0.292 74 N C -1.891 173.208 175.510 -0.686 0.000 1.125 74 N CA -0.615 52.159 53.050 -0.460 0.000 0.783 74 N CB 2.514 40.862 38.487 -0.231 0.000 1.558 74 N HN 0.584 nan 8.380 nan 0.000 0.472 75 E N 1.212 121.316 120.200 -0.161 0.000 2.272 75 E HA 0.090 4.437 4.350 -0.005 0.000 0.269 75 E C 0.223 176.935 176.600 0.187 0.000 0.877 75 E CA -0.231 56.149 56.400 -0.034 0.000 0.755 75 E CB 1.767 31.529 29.700 0.103 0.000 1.192 75 E HN 0.706 nan 8.360 nan 0.000 0.422 76 E N 1.308 121.584 120.200 0.126 0.000 2.267 76 E HA -0.178 4.169 4.350 -0.005 0.000 0.197 76 E C 1.010 177.784 176.600 0.289 0.000 0.998 76 E CA 1.774 58.273 56.400 0.166 0.000 0.830 76 E CB -0.161 29.541 29.700 0.003 0.000 0.751 76 E HN 0.414 nan 8.360 nan 0.000 0.491 77 T N -1.264 113.428 114.554 0.230 0.000 3.122 77 T HA 0.166 4.513 4.350 -0.005 0.000 0.250 77 T C 0.520 175.365 174.700 0.241 0.000 1.067 77 T CA -0.523 61.645 62.100 0.113 0.000 0.966 77 T CB 0.019 68.897 68.868 0.017 0.000 1.002 77 T HN 0.067 nan 8.240 nan 0.000 0.542 78 L N 2.315 123.686 121.223 0.247 0.000 2.415 78 L HA 0.478 4.815 4.340 -0.005 0.000 0.269 78 L C -1.327 175.486 176.870 -0.095 0.000 1.244 78 L CA -0.492 54.353 54.840 0.008 0.000 1.113 78 L CB -0.725 41.233 42.059 -0.168 0.000 1.352 78 L HN 0.373 nan 8.230 nan 0.000 0.433 79 W N 3.285 124.547 121.300 -0.065 0.000 2.683 79 W HA 0.469 5.127 4.660 -0.004 0.000 0.329 79 W C 0.468 177.040 176.519 0.089 0.000 1.037 79 W CA -0.469 56.874 57.345 -0.003 0.000 1.232 79 W CB 1.777 31.197 29.460 -0.067 0.000 1.390 79 W HN 0.497 nan 8.180 nan 0.000 0.465 80 T N 0.932 115.584 114.554 0.162 0.000 2.754 80 T HA 0.792 5.138 4.350 -0.005 0.000 0.286 80 T C 0.707 175.547 174.700 0.232 0.000 0.997 80 T CA 0.524 62.684 62.100 0.101 0.000 0.982 80 T CB 1.070 69.902 68.868 -0.061 0.000 1.027 80 T HN 1.286 nan 8.240 nan 0.000 0.529 81 G N -1.049 107.742 108.800 -0.016 0.000 2.685 81 G HA2 0.418 4.374 3.960 -0.005 0.000 0.387 81 G HA3 0.418 4.374 3.960 -0.005 0.000 0.387 81 G C 0.288 174.814 174.900 -0.624 0.000 1.324 81 G CA -0.019 44.995 45.100 -0.143 0.000 0.878 81 G HN 2.696 nan 8.290 nan 0.000 0.527 82 G N -0.959 107.326 108.800 -0.858 0.000 2.681 82 G HA2 0.268 4.225 3.960 -0.005 0.000 0.220 82 G HA3 0.268 4.225 3.960 -0.005 0.000 0.220 82 G C -2.096 171.942 174.900 -1.436 0.000 1.353 82 G CA 0.578 44.683 45.100 -1.658 0.000 0.872 82 G HN 1.575 nan 8.290 nan 0.000 0.557 83 P HA 0.335 nan 4.420 nan 0.000 0.265 83 P C 1.090 178.221 177.300 -0.281 0.000 1.193 83 P CA 1.996 64.875 63.100 -0.369 0.000 0.765 83 P CB 0.645 32.285 31.700 -0.100 0.000 0.823 84 G N 2.558 111.279 108.800 -0.132 0.000 2.213 84 G HA2 -0.310 3.647 3.960 -0.005 0.000 0.236 84 G HA3 -0.310 3.647 3.960 -0.005 0.000 0.236 84 G C 1.059 175.909 174.900 -0.084 0.000 0.991 84 G CA 0.468 45.513 45.100 -0.091 0.000 0.629 84 G HN 0.639 nan 8.290 nan 0.000 0.517 85 S N -0.444 115.182 115.700 -0.123 0.000 2.527 85 S HA 0.520 4.987 4.470 -0.005 0.000 0.222 85 S C 1.002 175.616 174.600 0.023 0.000 0.985 85 S CA 1.419 59.579 58.200 -0.066 0.000 0.921 85 S CB 0.048 63.181 63.200 -0.111 0.000 0.772 85 S HN 2.180 nan 8.310 nan 0.000 0.529 86 S N 0.054 115.791 115.700 0.063 0.000 2.672 86 S HA 0.460 4.927 4.470 -0.005 0.000 0.271 86 S C 0.385 175.038 174.600 0.088 0.000 1.171 86 S CA -0.034 58.222 58.200 0.093 0.000 0.817 86 S CB 0.734 64.023 63.200 0.149 0.000 1.150 86 S HN 0.321 nan 8.310 nan 0.000 0.478 87 T N -1.377 113.224 114.554 0.079 0.000 3.129 87 T HA 0.225 4.572 4.350 -0.005 0.000 0.251 87 T C 1.009 175.758 174.700 0.082 0.000 1.117 87 T CA 0.719 62.859 62.100 0.066 0.000 1.034 87 T CB -0.594 68.302 68.868 0.047 0.000 0.968 87 T HN 1.237 nan 8.240 nan 0.000 0.526 88 S N -0.798 114.970 115.700 0.113 0.000 3.031 88 S HA 0.258 4.725 4.470 -0.005 0.000 0.253 88 S C -0.182 174.501 174.600 0.138 0.000 0.996 88 S CA -0.910 57.353 58.200 0.104 0.000 1.098 88 S CB -0.898 62.346 63.200 0.074 0.000 1.042 88 S HN 0.429 nan 8.310 nan 0.000 0.593 89 Y N 3.268 123.615 120.300 0.079 0.000 2.805 89 Y HA 0.272 4.819 4.550 -0.005 0.000 0.331 89 Y C 0.575 176.548 175.900 0.121 0.000 1.241 89 Y CA 0.639 58.810 58.100 0.118 0.000 1.546 89 Y CB 0.286 38.805 38.460 0.099 0.000 1.248 89 Y HN 0.426 nan 8.280 nan 0.000 0.559 90 N N 3.819 122.219 118.700 -0.500 0.000 2.598 90 N HA 0.166 4.903 4.740 -0.005 0.000 0.295 90 N C 0.370 175.618 175.510 -0.438 0.000 1.729 90 N CA 0.515 53.378 53.050 -0.312 0.000 0.877 90 N CB 0.084 38.503 38.487 -0.112 0.000 1.405 90 N HN 0.937 nan 8.380 nan 0.000 0.491 91 G N -0.099 108.157 108.800 -0.906 0.000 2.187 91 G HA2 -0.208 3.749 3.960 -0.005 0.000 0.261 91 G HA3 -0.208 3.749 3.960 -0.005 0.000 0.261 91 G C 1.028 175.541 174.900 -0.646 0.000 1.000 91 G CA 0.682 45.525 45.100 -0.428 0.000 0.718 91 G HN 1.409 nan 8.290 nan 0.000 0.519 92 G N -1.375 106.993 108.800 -0.720 0.000 2.176 92 G HA2 -0.315 3.642 3.960 -0.005 0.000 0.253 92 G HA3 -0.315 3.642 3.960 -0.005 0.000 0.253 92 G C 0.255 174.925 174.900 -0.384 0.000 0.979 92 G CA 0.446 45.019 45.100 -0.879 0.000 0.641 92 G HN 1.059 nan 8.290 nan 0.000 0.530 93 N N 1.141 119.704 118.700 -0.229 0.000 2.483 93 N HA 0.180 4.917 4.740 -0.005 0.000 0.264 93 N C -0.534 174.963 175.510 -0.023 0.000 1.197 93 N CA 0.224 53.265 53.050 -0.015 0.000 0.927 93 N CB 0.686 39.172 38.487 -0.003 0.000 1.065 93 N HN 0.326 nan 8.380 nan 0.000 0.461 94 N N 2.000 120.719 118.700 0.031 0.000 2.558 94 N HA 0.073 4.809 4.740 -0.005 0.000 0.242 94 N C 0.493 175.902 175.510 -0.168 0.000 0.979 94 N CA -0.243 52.790 53.050 -0.028 0.000 0.931 94 N CB 0.695 39.215 38.487 0.054 0.000 1.122 94 N HN 0.422 nan 8.380 nan 0.000 0.508 95 E N 1.069 121.181 120.200 -0.146 0.000 2.153 95 E HA -0.114 4.232 4.350 -0.005 0.000 0.194 95 E C 0.758 177.275 176.600 -0.138 0.000 0.988 95 E CA 1.325 57.622 56.400 -0.171 0.000 0.811 95 E CB 0.245 29.881 29.700 -0.107 0.000 0.746 95 E HN 0.581 nan 8.360 nan 0.000 0.466 96 T N 1.251 115.754 114.554 -0.085 0.000 2.867 96 T HA -0.083 4.263 4.350 -0.005 0.000 0.268 96 T C 1.684 176.348 174.700 -0.059 0.000 1.057 96 T CA 0.806 62.871 62.100 -0.058 0.000 1.136 96 T CB 0.074 68.925 68.868 -0.029 0.000 0.874 96 T HN 0.012 nan 8.240 nan 0.000 0.466 97 K N 0.893 121.257 120.400 -0.060 0.000 2.044 97 K HA 0.111 4.428 4.320 -0.005 0.000 0.204 97 K C 2.658 179.218 176.600 -0.067 0.000 1.049 97 K CA 1.239 57.515 56.287 -0.018 0.000 0.945 97 K CB -0.930 31.626 32.500 0.092 0.000 0.724 97 K HN 0.408 nan 8.250 nan 0.000 0.440 98 G N 0.784 109.419 108.800 -0.275 0.000 2.403 98 G HA2 -0.186 3.770 3.960 -0.005 0.000 0.216 98 G HA3 -0.186 3.770 3.960 -0.005 0.000 0.216 98 G C 0.274 175.070 174.900 -0.174 0.000 1.154 98 G CA 0.087 44.965 45.100 -0.370 0.000 0.784 98 G HN 0.270 nan 8.290 nan 0.000 0.538 99 Q N -0.314 119.389 119.800 -0.161 0.000 2.453 99 Q HA -0.208 4.128 4.340 -0.005 0.000 0.294 99 Q C 0.231 176.188 176.000 -0.072 0.000 1.295 99 Q CA 1.036 56.784 55.803 -0.092 0.000 0.853 99 Q CB -2.529 26.174 28.738 -0.059 0.000 1.193 99 Q HN 0.870 nan 8.270 nan 0.000 0.461 100 N N -1.230 117.412 118.700 -0.095 0.000 2.716 100 N HA -0.290 4.447 4.740 -0.005 0.000 0.250 100 N C 0.769 176.274 175.510 -0.008 0.000 1.033 100 N CA 1.063 54.080 53.050 -0.054 0.000 0.727 100 N CB -0.999 37.467 38.487 -0.035 0.000 0.950 100 N HN 0.844 nan 8.380 nan 0.000 0.541 101 G N -1.840 106.964 108.800 0.006 0.000 2.217 101 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.246 101 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.246 101 G C 1.030 175.953 174.900 0.038 0.000 0.990 101 G CA 0.586 45.722 45.100 0.060 0.000 0.627 101 G HN 0.815 nan 8.290 nan 0.000 0.522 102 A N -0.123 122.701 122.820 0.007 0.000 1.969 102 A HA 0.207 4.524 4.320 -0.005 0.000 0.218 102 A C 2.416 179.994 177.584 -0.010 0.000 1.169 102 A CA 2.771 54.806 52.037 -0.003 0.000 0.635 102 A CB -0.766 18.226 19.000 -0.014 0.000 0.810 102 A HN 0.762 nan 8.150 nan 0.000 0.445 103 T N 0.188 114.733 114.554 -0.014 0.000 2.674 103 T HA -0.137 4.210 4.350 -0.005 0.000 0.265 103 T C 1.854 176.529 174.700 -0.043 0.000 1.039 103 T CA 1.532 63.612 62.100 -0.033 0.000 1.150 103 T CB -0.407 68.441 68.868 -0.033 0.000 0.864 103 T HN 0.319 nan 8.240 nan 0.000 0.427 104 L N 1.493 122.710 121.223 -0.010 0.000 2.012 104 L HA -0.003 4.334 4.340 -0.005 0.000 0.210 104 L C 2.526 179.385 176.870 -0.019 0.000 1.073 104 L CA 1.804 56.635 54.840 -0.014 0.000 0.748 104 L CB -0.629 41.484 42.059 0.090 0.000 0.891 104 L HN 0.088 nan 8.230 nan 0.000 0.431 105 R N -0.608 119.893 120.500 0.002 0.000 2.083 105 R HA -0.188 4.148 4.340 -0.005 0.000 0.237 105 R C 2.122 178.418 176.300 -0.005 0.000 1.137 105 R CA 1.622 57.722 56.100 -0.000 0.000 0.951 105 R CB -0.433 29.871 30.300 0.008 0.000 0.851 105 R HN 0.520 nan 8.270 nan 0.000 0.434 106 A N 0.738 123.549 122.820 -0.015 0.000 1.930 106 A HA -0.080 4.237 4.320 -0.005 0.000 0.217 106 A C 2.178 179.747 177.584 -0.024 0.000 1.175 106 A CA 1.004 53.031 52.037 -0.017 0.000 0.627 106 A CB -0.392 18.593 19.000 -0.025 0.000 0.815 106 A HN 0.343 nan 8.150 nan 0.000 0.443 107 L N -0.277 120.917 121.223 -0.050 0.000 2.056 107 L HA -0.193 4.143 4.340 -0.005 0.000 0.207 107 L C 2.257 179.109 176.870 -0.030 0.000 1.078 107 L CA 1.221 56.022 54.840 -0.065 0.000 0.749 107 L CB -0.587 41.398 42.059 -0.123 0.000 0.901 107 L HN 0.322 nan 8.230 nan 0.000 0.433 108 N N 0.111 118.789 118.700 -0.037 0.000 2.166 108 N HA -0.208 4.529 4.740 -0.005 0.000 0.186 108 N C 1.716 177.303 175.510 0.129 0.000 1.019 108 N CA 1.102 54.136 53.050 -0.027 0.000 0.856 108 N CB -0.181 38.206 38.487 -0.167 0.000 0.993 108 N HN 0.293 nan 8.380 nan 0.000 0.426 109 K N 1.077 121.526 120.400 0.082 0.000 2.057 109 K HA -0.110 4.207 4.320 -0.005 0.000 0.207 109 K C 1.823 178.463 176.600 0.067 0.000 1.049 109 K CA 1.129 57.465 56.287 0.083 0.000 0.931 109 K CB 0.050 32.576 32.500 0.044 0.000 0.714 109 K HN 0.230 nan 8.250 nan 0.000 0.440 110 Q N 0.413 120.239 119.800 0.042 0.000 2.061 110 Q HA -0.180 4.156 4.340 -0.005 0.000 0.204 110 Q C 2.247 178.280 176.000 0.055 0.000 0.984 110 Q CA 1.758 57.580 55.803 0.031 0.000 0.846 110 Q CB -0.150 28.591 28.738 0.004 0.000 0.902 110 Q HN 0.336 nan 8.270 nan 0.000 0.421 111 L N 0.022 121.299 121.223 0.090 0.000 2.017 111 L HA -0.171 4.166 4.340 -0.005 0.000 0.208 111 L C 2.527 179.474 176.870 0.129 0.000 1.073 111 L CA 1.011 55.930 54.840 0.131 0.000 0.745 111 L CB -0.618 41.553 42.059 0.186 0.000 0.894 111 L HN 0.201 nan 8.230 nan 0.000 0.432 112 A N 0.002 122.914 122.820 0.153 0.000 1.972 112 A HA -0.182 4.134 4.320 -0.005 0.000 0.219 112 A C 1.868 179.462 177.584 0.016 0.000 1.169 112 A CA 1.708 53.761 52.037 0.028 0.000 0.635 112 A CB -0.516 18.494 19.000 0.016 0.000 0.810 112 A HN 0.439 nan 8.150 nan 0.000 0.446 113 N N -0.946 117.775 118.700 0.036 0.000 2.521 113 N HA 0.151 4.888 4.740 -0.005 0.000 0.188 113 N C 1.074 176.597 175.510 0.022 0.000 1.146 113 N CA 1.133 54.197 53.050 0.022 0.000 0.893 113 N CB 0.464 38.964 38.487 0.021 0.000 0.975 113 N HN 0.671 nan 8.380 nan 0.000 0.451 114 G N -1.151 107.668 108.800 0.032 0.000 2.205 114 G HA2 -0.145 3.812 3.960 -0.005 0.000 0.180 114 G HA3 -0.145 3.812 3.960 -0.005 0.000 0.180 114 G C 0.173 175.098 174.900 0.042 0.000 1.004 114 G CA -0.096 45.025 45.100 0.034 0.000 0.670 114 G HN 0.524 nan 8.290 nan 0.000 0.496 115 A N 0.412 123.259 122.820 0.045 0.000 2.511 115 A HA 0.598 4.915 4.320 -0.005 0.000 0.242 115 A C 1.116 178.749 177.584 0.082 0.000 1.069 115 A CA 1.094 53.158 52.037 0.044 0.000 0.763 115 A CB 0.245 19.264 19.000 0.032 0.000 1.001 115 A HN 0.439 nan 8.150 nan 0.000 0.498 116 E N 0.310 120.557 120.200 0.077 0.000 2.170 116 E HA -0.007 4.340 4.350 -0.005 0.000 0.191 116 E C 0.560 177.275 176.600 0.193 0.000 0.981 116 E CA 1.325 57.818 56.400 0.156 0.000 0.830 116 E CB 0.132 29.854 29.700 0.037 0.000 0.775 116 E HN 0.878 nan 8.360 nan 0.000 0.470 117 T N -1.756 112.852 114.554 0.089 0.000 2.883 117 T HA 0.563 4.910 4.350 -0.005 0.000 0.301 117 T C -0.385 174.323 174.700 0.013 0.000 1.158 117 T CA -0.947 61.194 62.100 0.069 0.000 1.007 117 T CB 1.969 70.857 68.868 0.033 0.000 1.186 117 T HN -0.047 nan 8.240 nan 0.000 0.499 118 V N -0.705 119.197 119.914 -0.020 0.000 3.167 118 V HA 0.796 4.912 4.120 -0.005 0.000 0.310 118 V C -0.976 175.038 176.094 -0.134 0.000 1.207 118 V CA -1.249 61.009 62.300 -0.071 0.000 1.059 118 V CB 1.933 33.710 31.823 -0.077 0.000 1.079 118 V HN 0.993 nan 8.190 nan 0.000 0.446 119 N N 2.574 121.176 118.700 -0.164 0.000 2.527 119 N HA 0.524 5.261 4.740 -0.005 0.000 0.236 119 N C -1.915 173.392 175.510 -0.339 0.000 0.999 119 N CA -2.165 50.748 53.050 -0.227 0.000 0.935 119 N CB 1.336 39.725 38.487 -0.163 0.000 1.132 119 N HN 0.675 nan 8.380 nan 0.000 0.511 120 P HA 0.207 nan 4.420 nan 0.000 0.256 120 P C 1.029 177.849 177.300 -0.799 0.000 1.384 120 P CA -0.110 62.489 63.100 -0.836 0.000 0.879 120 P CB 0.022 30.825 31.700 -1.495 0.000 1.403 121 G N 1.481 109.993 108.800 -0.480 0.000 2.479 121 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.220 121 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.220 121 G C 1.296 176.101 174.900 -0.158 0.000 1.115 121 G CA 0.355 45.293 45.100 -0.271 0.000 0.757 121 G HN 0.246 nan 8.290 nan 0.000 0.560 122 N N 0.123 118.723 118.700 -0.167 0.000 2.515 122 N HA 0.048 4.785 4.740 -0.005 0.000 0.185 122 N C 0.809 176.296 175.510 -0.038 0.000 1.109 122 N CA 0.117 53.116 53.050 -0.086 0.000 0.903 122 N CB 0.012 38.450 38.487 -0.082 0.000 0.969 122 N HN 0.265 nan 8.380 nan 0.000 0.450 123 L N 1.747 122.916 121.223 -0.091 0.000 2.423 123 L HA 0.163 4.499 4.340 -0.005 0.000 0.249 123 L C 0.353 177.271 176.870 0.080 0.000 1.276 123 L CA -0.169 54.641 54.840 -0.050 0.000 1.199 123 L CB -0.723 41.030 42.059 -0.511 0.000 1.407 123 L HN 0.065 nan 8.230 nan 0.000 0.410 124 T N -2.209 112.418 114.554 0.123 0.000 2.865 124 T HA 0.930 5.277 4.350 -0.005 0.000 0.294 124 T C -0.115 174.646 174.700 0.101 0.000 1.119 124 T CA -0.374 61.747 62.100 0.035 0.000 1.007 124 T CB 2.743 71.609 68.868 -0.002 0.000 1.225 124 T HN 0.334 nan 8.240 nan 0.000 0.515 125 G N -1.711 107.091 108.800 0.004 0.000 2.570 125 G HA2 0.584 4.540 3.960 -0.005 0.000 0.310 125 G HA3 0.584 4.540 3.960 -0.005 0.000 0.310 125 G C 0.349 175.255 174.900 0.009 0.000 1.266 125 G CA -0.052 45.064 45.100 0.028 0.000 0.825 125 G HN 2.033 nan 8.290 nan 0.000 0.483 126 G N -0.747 108.021 108.800 -0.054 0.000 2.272 126 G HA2 -0.158 3.799 3.960 -0.005 0.000 0.280 126 G HA3 -0.158 3.799 3.960 -0.005 0.000 0.280 126 G C 0.561 175.753 174.900 0.486 0.000 1.067 126 G CA 1.184 46.370 45.100 0.144 0.000 0.902 126 G HN 0.780 nan 8.290 nan 0.000 0.500 127 E N -0.265 120.131 120.200 0.327 0.000 2.285 127 E HA 0.019 4.366 4.350 -0.005 0.000 0.194 127 E C 1.267 178.054 176.600 0.312 0.000 0.997 127 E CA 0.453 57.026 56.400 0.289 0.000 0.845 127 E CB 0.183 29.994 29.700 0.186 0.000 0.782 127 E HN 0.439 nan 8.360 nan 0.000 0.491 128 N N 0.545 119.469 118.700 0.374 0.000 2.462 128 N HA 0.176 4.912 4.740 -0.005 0.000 0.242 128 N C 0.249 175.909 175.510 0.251 0.000 1.010 128 N CA 0.023 53.246 53.050 0.289 0.000 0.939 128 N CB 1.147 39.798 38.487 0.274 0.000 1.127 128 N HN 0.048 nan 8.380 nan 0.000 0.509 129 A N 3.561 126.491 122.820 0.182 0.000 2.019 129 A HA -0.038 4.278 4.320 -0.005 0.000 0.219 129 A C 1.961 179.551 177.584 0.010 0.000 1.164 129 A CA 1.649 53.749 52.037 0.106 0.000 0.644 129 A CB -0.408 18.671 19.000 0.132 0.000 0.805 129 A HN 0.696 nan 8.150 nan 0.000 0.449 130 A N -0.305 122.540 122.820 0.041 0.000 1.968 130 A HA -0.084 4.232 4.320 -0.005 0.000 0.217 130 A C 1.906 179.490 177.584 0.001 0.000 1.169 130 A CA 1.383 53.428 52.037 0.013 0.000 0.638 130 A CB -0.328 18.694 19.000 0.035 0.000 0.812 130 A HN 0.614 nan 8.150 nan 0.000 0.446 131 E N -0.770 119.472 120.200 0.071 0.000 2.107 131 E HA -0.202 4.145 4.350 -0.005 0.000 0.191 131 E C 2.218 178.734 176.600 -0.140 0.000 0.982 131 E CA 1.108 57.609 56.400 0.167 0.000 0.809 131 E CB -0.123 29.903 29.700 0.544 0.000 0.756 131 E HN 0.795 nan 8.360 nan 0.000 0.459 132 Q N 0.393 119.814 119.800 -0.632 0.000 2.020 132 Q HA -0.097 4.240 4.340 -0.005 0.000 0.202 132 Q C 0.967 176.707 176.000 -0.434 0.000 0.982 132 Q CA 1.376 56.417 55.803 -1.270 0.000 0.838 132 Q CB -0.080 27.995 28.738 -1.105 0.000 0.899 132 Q HN 0.237 nan 8.270 nan 0.000 0.423 133 G N 1.046 109.721 108.800 -0.209 0.000 2.697 133 G HA2 -0.296 3.661 3.960 -0.005 0.000 0.240 133 G HA3 -0.296 3.661 3.960 -0.005 0.000 0.240 133 G C -0.678 174.204 174.900 -0.030 0.000 1.346 133 G CA -0.041 45.034 45.100 -0.042 0.000 0.887 133 G HN 0.842 nan 8.290 nan 0.000 0.569 134 N N -2.703 115.947 118.700 -0.083 0.000 3.227 134 N HA 0.452 5.189 4.740 -0.005 0.000 0.241 134 N C -1.262 173.600 175.510 -1.081 0.000 1.480 134 N CA -0.695 52.054 53.050 -0.502 0.000 0.886 134 N CB 0.634 38.899 38.487 -0.371 0.000 1.406 134 N HN 1.138 nan 8.380 nan 0.000 0.514 135 Y N 0.744 120.024 120.300 -1.700 0.000 2.359 135 Y HA 0.550 5.097 4.550 -0.005 0.000 0.330 135 Y C -0.456 174.975 175.900 -0.781 0.000 1.143 135 Y CA -0.456 56.712 58.100 -1.554 0.000 1.318 135 Y CB 0.466 38.160 38.460 -1.276 0.000 1.234 135 Y HN 0.487 nan 8.280 nan 0.000 0.522 136 L N 5.856 126.431 121.223 -1.080 0.000 2.317 136 L HA 0.289 4.626 4.340 -0.005 0.000 0.281 136 L C -0.155 176.198 176.870 -0.862 0.000 1.024 136 L CA -1.143 53.207 54.840 -0.817 0.000 0.810 136 L CB 1.410 42.995 42.059 -0.791 0.000 1.240 136 L HN 0.685 nan 8.230 nan 0.000 0.427 137 N N 1.818 120.205 118.700 -0.520 0.000 2.412 137 N HA -0.144 4.592 4.740 -0.005 0.000 0.258 137 N C 0.596 176.047 175.510 -0.099 0.000 1.236 137 N CA 0.195 53.063 53.050 -0.304 0.000 0.882 137 N CB 0.727 39.078 38.487 -0.227 0.000 1.066 137 N HN 0.631 nan 8.380 nan 0.000 0.465 138 W N 4.408 125.602 121.300 -0.177 0.000 2.408 138 W HA 0.132 4.789 4.660 -0.006 0.000 0.311 138 W C 0.556 177.131 176.519 0.093 0.000 1.190 138 W CA 1.969 59.304 57.345 -0.016 0.000 1.321 138 W CB -0.662 28.881 29.460 0.138 0.000 1.143 138 W HN 0.649 nan 8.180 nan 0.000 0.501 139 G N -0.348 108.730 108.800 0.463 0.000 2.512 139 G HA2 0.184 4.141 3.960 -0.005 0.000 0.181 139 G HA3 0.184 4.141 3.960 -0.005 0.000 0.181 139 G C -2.039 172.987 174.900 0.209 0.000 1.173 139 G CA -0.506 44.760 45.100 0.277 0.000 0.988 139 G HN 0.052 nan 8.290 nan 0.000 0.485 140 D N -0.748 119.727 120.400 0.124 0.000 2.661 140 D HA 0.602 5.238 4.640 -0.005 0.000 0.228 140 D C -0.724 175.523 176.300 -0.089 0.000 1.183 140 D CA -0.426 53.551 54.000 -0.038 0.000 0.844 140 D CB 2.607 43.216 40.800 -0.318 0.000 1.555 140 D HN 0.445 nan 8.370 nan 0.000 0.453 141 I N 1.889 122.370 120.570 -0.148 0.000 2.321 141 I HA 0.292 4.459 4.170 -0.005 0.000 0.291 141 I C -0.930 175.054 176.117 -0.222 0.000 0.998 141 I CA -0.577 60.654 61.300 -0.116 0.000 1.227 141 I CB 0.504 38.472 38.000 -0.054 0.000 1.368 141 I HN 0.223 nan 8.210 nan 0.000 0.466 142 Y N 6.442 126.748 120.300 0.009 0.000 2.341 142 Y HA 0.544 5.091 4.550 -0.005 0.000 0.337 142 Y C -0.252 175.672 175.900 0.040 0.000 1.014 142 Y CA -0.646 57.456 58.100 0.004 0.000 1.111 142 Y CB 1.550 39.995 38.460 -0.025 0.000 1.194 142 Y HN 0.337 nan 8.280 nan 0.000 0.462 143 L N 4.216 125.567 121.223 0.214 0.000 2.366 143 L HA 0.329 4.666 4.340 -0.005 0.000 0.266 143 L C -0.856 176.150 176.870 0.226 0.000 1.010 143 L CA -0.548 54.387 54.840 0.158 0.000 0.879 143 L CB 0.926 43.009 42.059 0.039 0.000 1.228 143 L HN 0.534 nan 8.230 nan 0.000 0.439 144 D N 1.483 121.985 120.400 0.169 0.000 2.396 144 D HA 0.130 4.767 4.640 -0.005 0.000 0.225 144 D C 0.346 176.662 176.300 0.027 0.000 1.121 144 D CA -0.184 53.878 54.000 0.104 0.000 0.853 144 D CB 0.920 41.733 40.800 0.022 0.000 1.043 144 D HN 0.258 nan 8.370 nan 0.000 0.500 145 Y N 1.926 122.068 120.300 -0.264 0.000 2.519 145 Y HA 0.165 4.712 4.550 -0.006 0.000 0.287 145 Y C 2.112 177.630 175.900 -0.636 0.000 1.128 145 Y CA 0.607 58.377 58.100 -0.551 0.000 1.282 145 Y CB 0.055 37.841 38.460 -1.124 0.000 1.027 145 Y HN 0.667 nan 8.280 nan 0.000 0.551 146 G N 0.317 108.954 108.800 -0.271 0.000 2.273 146 G HA2 -0.316 3.640 3.960 -0.005 0.000 0.280 146 G HA3 -0.316 3.640 3.960 -0.005 0.000 0.280 146 G C -0.249 174.590 174.900 -0.101 0.000 1.047 146 G CA -0.223 44.783 45.100 -0.156 0.000 0.869 146 G HN 0.120 nan 8.290 nan 0.000 0.502 147 F N 0.239 120.179 119.950 -0.017 0.000 2.518 147 F HA 0.264 4.786 4.527 -0.007 0.000 0.359 147 F C 1.669 177.473 175.800 0.007 0.000 1.118 147 F CA -0.820 57.147 58.000 -0.055 0.000 1.287 147 F CB 0.470 39.298 39.000 -0.287 0.000 1.132 147 F HN 0.031 nan 8.300 nan 0.000 0.587 148 N N 1.024 119.891 118.700 0.278 0.000 2.250 148 N HA -0.077 4.660 4.740 -0.005 0.000 0.181 148 N C -0.397 175.203 175.510 0.150 0.000 1.017 148 N CA 0.992 54.144 53.050 0.169 0.000 0.866 148 N CB 0.045 38.619 38.487 0.144 0.000 0.985 148 N HN 0.525 nan 8.380 nan 0.000 0.429 149 D N -0.517 120.009 120.400 0.210 0.000 2.649 149 D HA 0.209 4.845 4.640 -0.005 0.000 0.249 149 D C 0.276 176.680 176.300 0.173 0.000 1.112 149 D CA -0.192 53.899 54.000 0.152 0.000 0.850 149 D CB 1.924 42.787 40.800 0.105 0.000 1.399 149 D HN -0.058 nan 8.370 nan 0.000 0.503 150 T N -0.752 113.842 114.554 0.068 0.000 3.148 150 T HA 0.010 4.356 4.350 -0.005 0.000 0.253 150 T C 0.948 175.637 174.700 -0.018 0.000 1.134 150 T CA 0.186 62.284 62.100 -0.004 0.000 1.051 150 T CB -0.080 68.762 68.868 -0.043 0.000 0.959 150 T HN 0.256 nan 8.240 nan 0.000 0.525 151 T N 3.841 118.409 114.554 0.025 0.000 2.829 151 T HA 0.388 4.735 4.350 -0.005 0.000 0.293 151 T C 0.294 175.006 174.700 0.020 0.000 0.970 151 T CA -0.363 61.735 62.100 -0.003 0.000 1.168 151 T CB 0.401 69.258 68.868 -0.019 0.000 0.911 151 T HN 0.338 nan 8.240 nan 0.000 0.535 152 V N 0.764 120.685 119.914 0.013 0.000 3.160 152 V HA 0.983 5.099 4.120 -0.005 0.000 0.310 152 V C -0.164 175.989 176.094 0.098 0.000 1.181 152 V CA -1.135 61.215 62.300 0.082 0.000 1.047 152 V CB 2.119 34.003 31.823 0.103 0.000 1.068 152 V HN 0.920 nan 8.190 nan 0.000 0.441 153 T N -2.321 112.322 114.554 0.149 0.000 2.864 153 T HA 0.698 5.045 4.350 -0.005 0.000 0.289 153 T C -0.082 174.737 174.700 0.198 0.000 1.082 153 T CA 0.117 62.301 62.100 0.141 0.000 1.009 153 T CB 1.641 70.562 68.868 0.088 0.000 1.234 153 T HN 1.243 nan 8.240 nan 0.000 0.526 154 E N -1.030 119.271 120.200 0.170 0.000 2.539 154 E HA -0.237 4.109 4.350 -0.005 0.000 0.253 154 E C -1.058 175.668 176.600 0.210 0.000 1.145 154 E CA 0.299 56.795 56.400 0.159 0.000 0.738 154 E CB -1.767 27.995 29.700 0.103 0.000 1.308 154 E HN 0.628 nan 8.360 nan 0.000 0.409 155 Y N 1.144 121.543 120.300 0.166 0.000 2.377 155 Y HA 0.276 4.824 4.550 -0.003 0.000 0.330 155 Y C 0.380 176.393 175.900 0.188 0.000 1.108 155 Y CA 0.112 58.332 58.100 0.201 0.000 1.308 155 Y CB 0.635 39.183 38.460 0.148 0.000 1.216 155 Y HN 0.059 nan 8.280 nan 0.000 0.518 156 R N 6.193 126.490 120.500 -0.337 0.000 2.584 156 R HA 0.454 4.790 4.340 -0.005 0.000 0.276 156 R C -1.568 174.519 176.300 -0.354 0.000 1.046 156 R CA -1.021 55.020 56.100 -0.098 0.000 0.906 156 R CB 1.387 31.730 30.300 0.071 0.000 1.215 156 R HN 0.914 nan 8.270 nan 0.000 0.449 157 R N 1.323 121.825 120.500 0.004 0.000 2.670 157 R HA 0.556 4.893 4.340 -0.005 0.000 0.289 157 R C -1.546 174.804 176.300 0.084 0.000 0.965 157 R CA -0.812 55.299 56.100 0.018 0.000 0.899 157 R CB 1.925 32.319 30.300 0.157 0.000 1.173 157 R HN 0.684 nan 8.270 nan 0.000 0.456 158 D N 1.265 121.598 120.400 -0.111 0.000 2.583 158 D HA 0.386 5.023 4.640 -0.005 0.000 0.248 158 D C -1.525 174.600 176.300 -0.292 0.000 1.209 158 D CA -0.909 52.953 54.000 -0.230 0.000 0.848 158 D CB 1.598 41.962 40.800 -0.726 0.000 1.431 158 D HN 0.397 nan 8.370 nan 0.000 0.436 159 L N 1.389 122.430 121.223 -0.303 0.000 2.342 159 L HA 0.482 4.819 4.340 -0.005 0.000 0.276 159 L C -1.213 175.413 176.870 -0.406 0.000 0.997 159 L CA -0.541 54.113 54.840 -0.310 0.000 0.838 159 L CB 1.320 43.232 42.059 -0.245 0.000 1.224 159 L HN 0.568 nan 8.230 nan 0.000 0.416 160 N N 5.198 123.642 118.700 -0.427 0.000 2.439 160 N HA 0.174 4.910 4.740 -0.005 0.000 0.243 160 N C 0.829 176.213 175.510 -0.210 0.000 1.088 160 N CA -0.035 52.839 53.050 -0.293 0.000 0.940 160 N CB 0.639 38.981 38.487 -0.241 0.000 1.180 160 N HN 0.786 nan 8.380 nan 0.000 0.505 161 L N 1.564 122.654 121.223 -0.221 0.000 2.201 161 L HA -0.105 4.232 4.340 -0.005 0.000 0.212 161 L C 1.925 178.469 176.870 -0.543 0.000 1.105 161 L CA 0.693 55.315 54.840 -0.364 0.000 0.775 161 L CB -0.219 41.705 42.059 -0.225 0.000 0.913 161 L HN 0.412 nan 8.230 nan 0.000 0.440 162 S N -0.208 115.278 115.700 -0.357 0.000 2.387 162 S HA -0.090 4.377 4.470 -0.005 0.000 0.226 162 S C 1.809 176.395 174.600 -0.023 0.000 1.026 162 S CA 1.096 59.144 58.200 -0.253 0.000 0.972 162 S CB 0.016 63.263 63.200 0.079 0.000 0.814 162 S HN 0.389 nan 8.310 nan 0.000 0.477 163 K N 0.229 120.588 120.400 -0.068 0.000 2.353 163 K HA 0.240 4.557 4.320 -0.005 0.000 0.195 163 K C 0.764 177.169 176.600 -0.326 0.000 1.031 163 K CA 0.328 56.554 56.287 -0.103 0.000 1.079 163 K CB 0.542 33.008 32.500 -0.058 0.000 0.857 163 K HN 0.351 nan 8.250 nan 0.000 0.535 164 G N 3.412 111.899 108.800 -0.522 0.000 2.314 164 G HA2 -0.301 3.655 3.960 -0.005 0.000 0.292 164 G HA3 -0.301 3.655 3.960 -0.005 0.000 0.292 164 G C -0.439 174.489 174.900 0.047 0.000 1.059 164 G CA 0.911 45.684 45.100 -0.544 0.000 0.982 164 G HN 0.392 nan 8.290 nan 0.000 0.505 165 K N -1.585 118.811 120.400 -0.008 0.000 2.532 165 K HA 0.851 5.168 4.320 -0.005 0.000 0.265 165 K C -0.472 176.059 176.600 -0.115 0.000 0.948 165 K CA -0.609 55.669 56.287 -0.016 0.000 0.842 165 K CB 1.744 34.255 32.500 0.018 0.000 1.392 165 K HN 1.108 nan 8.250 nan 0.000 0.436 166 A N 1.954 124.684 122.820 -0.149 0.000 2.324 166 A HA 0.550 4.867 4.320 -0.005 0.000 0.330 166 A C -1.142 176.389 177.584 -0.088 0.000 1.165 166 A CA -0.664 51.304 52.037 -0.114 0.000 0.813 166 A CB 0.653 19.634 19.000 -0.031 0.000 1.197 166 A HN 0.782 nan 8.150 nan 0.000 0.484 167 D N 0.665 120.970 120.400 -0.159 0.000 2.575 167 D HA 0.570 5.207 4.640 -0.005 0.000 0.236 167 D C -1.148 175.073 176.300 -0.132 0.000 1.075 167 D CA -0.166 53.723 54.000 -0.185 0.000 0.860 167 D CB 2.239 42.858 40.800 -0.303 0.000 1.475 167 D HN 0.225 nan 8.370 nan 0.000 0.474 168 V N 0.487 120.327 119.914 -0.123 0.000 2.760 168 V HA 0.620 4.737 4.120 -0.005 0.000 0.309 168 V C -0.194 175.788 176.094 -0.188 0.000 1.077 168 V CA -0.502 61.726 62.300 -0.120 0.000 0.910 168 V CB 2.196 34.050 31.823 0.052 0.000 1.008 168 V HN 0.650 nan 8.190 nan 0.000 0.424 169 T N 4.337 118.735 114.554 -0.259 0.000 2.923 169 T HA 0.885 5.231 4.350 -0.005 0.000 0.311 169 T C -1.610 172.997 174.700 -0.156 0.000 1.183 169 T CA -0.358 61.590 62.100 -0.254 0.000 1.020 169 T CB 1.292 70.049 68.868 -0.185 0.000 1.165 169 T HN 0.969 nan 8.240 nan 0.000 0.482 170 F N 0.497 120.416 119.950 -0.053 0.000 2.770 170 F HA 0.681 5.206 4.527 -0.003 0.000 0.313 170 F C -1.414 174.460 175.800 0.123 0.000 1.154 170 F CA -1.300 56.734 58.000 0.058 0.000 0.923 170 F CB 1.345 40.459 39.000 0.191 0.000 1.301 170 F HN 0.571 nan 8.300 nan 0.000 0.449 171 K N 1.725 122.343 120.400 0.364 0.000 2.265 171 K HA 0.325 4.642 4.320 -0.005 0.000 0.267 171 K C -1.736 175.085 176.600 0.367 0.000 0.994 171 K CA -0.538 55.903 56.287 0.256 0.000 0.860 171 K CB 0.757 33.329 32.500 0.121 0.000 1.099 171 K HN 0.918 nan 8.250 nan 0.000 0.448 172 H N 3.928 123.165 119.070 0.278 0.000 2.658 172 H HA 0.098 4.650 4.556 -0.007 0.000 0.337 172 H C -0.907 174.466 175.328 0.076 0.000 1.009 172 H CA -0.113 56.006 56.048 0.118 0.000 1.231 172 H CB 1.248 30.963 29.762 -0.078 0.000 1.508 172 H HN 0.944 nan 8.280 nan 0.000 0.517 173 D N 3.794 123.960 120.400 -0.391 0.000 2.686 173 D HA -0.194 4.443 4.640 -0.005 0.000 0.235 173 D C 1.210 177.478 176.300 -0.053 0.000 1.160 173 D CA 2.331 56.181 54.000 -0.252 0.000 0.645 173 D CB -1.221 39.386 40.800 -0.322 0.000 1.039 173 D HN 1.148 nan 8.370 nan 0.000 0.423 174 G N -2.305 106.480 108.800 -0.025 0.000 2.225 174 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.254 174 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.254 174 G C 0.338 175.229 174.900 -0.015 0.000 0.988 174 G CA 0.191 45.285 45.100 -0.010 0.000 0.625 174 G HN 0.936 nan 8.290 nan 0.000 0.527 175 V N 1.706 121.620 119.914 -0.000 0.000 2.435 175 V HA 0.626 4.743 4.120 -0.005 0.000 0.290 175 V C 0.491 176.453 176.094 -0.220 0.000 1.030 175 V CA -0.205 62.010 62.300 -0.142 0.000 0.881 175 V CB 1.717 33.414 31.823 -0.211 0.000 0.983 175 V HN 0.239 nan 8.190 nan 0.000 0.445 176 T N 5.085 119.463 114.554 -0.294 0.000 2.749 176 T HA 0.508 4.855 4.350 -0.005 0.000 0.295 176 T C -0.772 173.625 174.700 -0.504 0.000 0.936 176 T CA 0.169 62.101 62.100 -0.281 0.000 1.060 176 T CB 0.016 68.779 68.868 -0.174 0.000 0.904 176 T HN 0.436 nan 8.240 nan 0.000 0.500 177 Y N 1.926 121.976 120.300 -0.416 0.000 2.352 177 Y HA 0.525 5.073 4.550 -0.004 0.000 0.339 177 Y C 1.058 176.623 175.900 -0.559 0.000 0.992 177 Y CA -0.940 56.873 58.100 -0.477 0.000 1.100 177 Y CB 1.639 39.710 38.460 -0.648 0.000 1.192 177 Y HN 0.640 nan 8.280 nan 0.000 0.458 178 T N 1.347 115.786 114.554 -0.192 0.000 2.908 178 T HA 0.809 5.156 4.350 -0.005 0.000 0.290 178 T C -0.717 173.876 174.700 -0.179 0.000 1.034 178 T CA -1.158 60.818 62.100 -0.207 0.000 1.010 178 T CB 1.784 70.549 68.868 -0.171 0.000 1.068 178 T HN 0.666 nan 8.240 nan 0.000 0.481 179 R N 1.071 121.438 120.500 -0.221 0.000 2.673 179 R HA 0.610 4.947 4.340 -0.005 0.000 0.281 179 R C -1.181 174.856 176.300 -0.438 0.000 0.991 179 R CA -0.857 55.031 56.100 -0.354 0.000 0.896 179 R CB 2.525 32.639 30.300 -0.309 0.000 1.201 179 R HN 0.856 nan 8.270 nan 0.000 0.457 180 E N 2.647 122.486 120.200 -0.602 0.000 2.275 180 E HA 0.354 4.701 4.350 -0.005 0.000 0.270 180 E C -1.647 174.576 176.600 -0.628 0.000 0.882 180 E CA -0.618 55.521 56.400 -0.435 0.000 0.758 180 E CB 1.503 31.120 29.700 -0.139 0.000 1.195 180 E HN 0.480 nan 8.360 nan 0.000 0.419 181 Y N 3.509 123.665 120.300 -0.241 0.000 2.425 181 Y HA 0.545 5.091 4.550 -0.006 0.000 0.344 181 Y C -0.455 175.056 175.900 -0.649 0.000 0.969 181 Y CA -0.879 56.917 58.100 -0.505 0.000 1.052 181 Y CB 1.374 39.437 38.460 -0.661 0.000 1.215 181 Y HN 0.439 nan 8.280 nan 0.000 0.451 182 F N -0.303 119.376 119.950 -0.452 0.000 2.686 182 F HA 0.970 5.494 4.527 -0.005 0.000 0.311 182 F C -1.487 174.308 175.800 -0.009 0.000 1.128 182 F CA -1.894 55.860 58.000 -0.410 0.000 0.946 182 F CB 1.315 40.036 39.000 -0.466 0.000 1.336 182 F HN 0.507 nan 8.300 nan 0.000 0.457 183 A N 1.684 124.735 122.820 0.384 0.000 2.340 183 A HA 0.628 4.945 4.320 -0.005 0.000 0.297 183 A C -0.685 177.061 177.584 0.269 0.000 1.195 183 A CA -0.565 51.674 52.037 0.338 0.000 0.769 183 A CB 0.792 20.033 19.000 0.402 0.000 1.163 183 A HN 0.991 nan 8.150 nan 0.000 0.472 184 S N 1.769 117.633 115.700 0.273 0.000 2.523 184 S HA 0.099 4.565 4.470 -0.005 0.000 0.275 184 S C 1.133 175.915 174.600 0.304 0.000 1.281 184 S CA -0.433 57.992 58.200 0.376 0.000 1.050 184 S CB 0.338 63.769 63.200 0.384 0.000 0.937 184 S HN 0.785 nan 8.310 nan 0.000 0.492 185 N N 4.892 123.782 118.700 0.316 0.000 2.148 185 N HA 0.026 4.763 4.740 -0.005 0.000 0.186 185 N C -1.128 174.486 175.510 0.173 0.000 1.031 185 N CA 1.063 54.239 53.050 0.211 0.000 0.848 185 N CB -0.966 37.632 38.487 0.185 0.000 1.005 185 N HN 0.474 nan 8.380 nan 0.000 0.427 186 P HA -0.064 nan 4.420 nan 0.000 0.216 186 P C 0.284 177.661 177.300 0.130 0.000 1.150 186 P CA 1.380 64.561 63.100 0.135 0.000 0.843 186 P CB -0.009 31.768 31.700 0.130 0.000 0.787 187 D N -2.715 117.780 120.400 0.160 0.000 2.369 187 D HA 0.034 4.671 4.640 -0.005 0.000 0.211 187 D C 0.150 176.533 176.300 0.139 0.000 1.077 187 D CA 0.012 54.097 54.000 0.141 0.000 0.842 187 D CB -0.596 40.299 40.800 0.158 0.000 0.947 187 D HN -0.025 nan 8.370 nan 0.000 0.509 188 N N 0.824 119.614 118.700 0.149 0.000 2.725 188 N HA -0.197 4.540 4.740 -0.005 0.000 0.251 188 N C -1.307 174.286 175.510 0.139 0.000 1.031 188 N CA 0.300 53.431 53.050 0.134 0.000 0.720 188 N CB -1.053 37.499 38.487 0.108 0.000 0.930 188 N HN 0.121 nan 8.380 nan 0.000 0.543 189 V N 0.612 120.626 119.914 0.166 0.000 2.969 189 V HA 0.565 4.682 4.120 -0.005 0.000 0.304 189 V C -0.509 175.681 176.094 0.160 0.000 1.192 189 V CA -0.919 61.483 62.300 0.171 0.000 0.962 189 V CB 2.022 33.965 31.823 0.199 0.000 1.045 189 V HN 0.298 nan 8.190 nan 0.000 0.428 190 M N 5.809 125.499 119.600 0.151 0.000 2.233 190 M HA 0.714 5.191 4.480 -0.005 0.000 0.355 190 M C -1.687 174.581 176.300 -0.054 0.000 1.191 190 M CA -0.275 55.096 55.300 0.118 0.000 1.101 190 M CB 1.461 34.222 32.600 0.268 0.000 1.592 190 M HN 0.523 nan 8.290 nan 0.000 0.461 191 V N 4.244 123.937 119.914 -0.369 0.000 2.540 191 V HA 0.776 4.893 4.120 -0.005 0.000 0.302 191 V C -0.515 175.297 176.094 -0.471 0.000 1.035 191 V CA -0.794 61.153 62.300 -0.589 0.000 0.873 191 V CB 1.559 32.737 31.823 -1.075 0.000 0.992 191 V HN 0.933 nan 8.190 nan 0.000 0.428 192 A N 4.439 127.062 122.820 -0.329 0.000 2.311 192 A HA 0.835 5.152 4.320 -0.005 0.000 0.306 192 A C -0.464 176.893 177.584 -0.378 0.000 1.189 192 A CA -0.694 51.156 52.037 -0.312 0.000 0.791 192 A CB 0.887 19.834 19.000 -0.087 0.000 1.172 192 A HN 0.755 nan 8.150 nan 0.000 0.481 193 R N 2.754 123.004 120.500 -0.416 0.000 2.229 193 R HA 0.669 5.006 4.340 -0.005 0.000 0.332 193 R C -1.557 174.528 176.300 -0.358 0.000 0.989 193 R CA -0.172 55.681 56.100 -0.411 0.000 0.842 193 R CB 0.116 30.152 30.300 -0.439 0.000 1.119 193 R HN 0.620 nan 8.270 nan 0.000 0.456 194 L N 3.967 125.026 121.223 -0.274 0.000 2.362 194 L HA 0.633 4.970 4.340 -0.005 0.000 0.275 194 L C -0.184 176.635 176.870 -0.086 0.000 0.998 194 L CA -0.878 53.855 54.840 -0.178 0.000 0.820 194 L CB 2.181 44.119 42.059 -0.201 0.000 1.270 194 L HN 0.821 nan 8.230 nan 0.000 0.415 195 T N -0.175 114.354 114.554 -0.043 0.000 2.896 195 T HA 0.891 5.238 4.350 -0.005 0.000 0.297 195 T C -0.753 173.963 174.700 0.026 0.000 1.108 195 T CA -0.708 61.378 62.100 -0.023 0.000 1.004 195 T CB 2.319 71.136 68.868 -0.085 0.000 1.159 195 T HN 0.715 nan 8.240 nan 0.000 0.499 196 A N 0.995 123.805 122.820 -0.017 0.000 2.374 196 A HA 0.713 5.030 4.320 -0.005 0.000 0.317 196 A C 1.118 178.589 177.584 -0.188 0.000 1.094 196 A CA -0.279 51.645 52.037 -0.189 0.000 0.765 196 A CB 1.468 20.411 19.000 -0.094 0.000 1.268 196 A HN 1.417 nan 8.150 nan 0.000 0.438 197 S N 0.712 116.250 115.700 -0.270 0.000 2.489 197 S HA 0.052 4.519 4.470 -0.005 0.000 0.228 197 S C 0.541 175.073 174.600 -0.113 0.000 0.995 197 S CA 0.799 58.898 58.200 -0.168 0.000 0.934 197 S CB -0.267 62.830 63.200 -0.171 0.000 0.771 197 S HN 0.596 nan 8.310 nan 0.000 0.522 198 K N 1.364 121.695 120.400 -0.114 0.000 2.292 198 K HA 0.675 4.992 4.320 -0.005 0.000 0.257 198 K C -0.614 175.971 176.600 -0.024 0.000 0.940 198 K CA -0.557 55.697 56.287 -0.055 0.000 0.811 198 K CB 1.919 34.394 32.500 -0.040 0.000 1.120 198 K HN 0.231 nan 8.250 nan 0.000 0.428 199 A N 1.221 124.035 122.820 -0.010 0.000 2.540 199 A HA 0.373 4.690 4.320 -0.005 0.000 0.239 199 A C 1.259 178.856 177.584 0.021 0.000 1.061 199 A CA 1.172 53.211 52.037 0.004 0.000 0.758 199 A CB -0.625 18.376 19.000 0.002 0.000 0.991 199 A HN 1.004 nan 8.150 nan 0.000 0.502 200 G N 1.449 110.267 108.800 0.030 0.000 2.179 200 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.260 200 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.260 200 G C 0.844 175.791 174.900 0.079 0.000 0.977 200 G CA 0.689 45.814 45.100 0.041 0.000 0.641 200 G HN 0.678 nan 8.290 nan 0.000 0.533 201 K N -0.696 119.768 120.400 0.105 0.000 2.393 201 K HA 0.308 4.625 4.320 -0.005 0.000 0.193 201 K C 0.893 177.691 176.600 0.330 0.000 1.026 201 K CA -0.138 56.272 56.287 0.205 0.000 1.064 201 K CB 0.176 32.776 32.500 0.167 0.000 0.833 201 K HN 0.448 nan 8.250 nan 0.000 0.521 202 L N 3.053 124.416 121.223 0.234 0.000 2.363 202 L HA 0.170 4.507 4.340 -0.005 0.000 0.286 202 L C -0.984 175.961 176.870 0.125 0.000 1.106 202 L CA 0.265 55.269 54.840 0.273 0.000 0.859 202 L CB -0.123 42.072 42.059 0.227 0.000 1.223 202 L HN 0.031 nan 8.230 nan 0.000 0.446 203 N N 6.559 125.312 118.700 0.089 0.000 2.430 203 N HA 0.571 5.308 4.740 -0.005 0.000 0.290 203 N C -1.315 174.081 175.510 -0.189 0.000 1.063 203 N CA -0.192 52.804 53.050 -0.090 0.000 0.883 203 N CB 1.983 40.453 38.487 -0.029 0.000 1.465 203 N HN 0.447 nan 8.380 nan 0.000 0.493 204 F N -0.560 119.174 119.950 -0.360 0.000 2.719 204 F HA 0.459 4.982 4.527 -0.006 0.000 0.309 204 F C -1.457 174.197 175.800 -0.244 0.000 1.138 204 F CA -1.148 56.589 58.000 -0.438 0.000 0.943 204 F CB 1.392 39.913 39.000 -0.798 0.000 1.304 204 F HN 0.106 nan 8.300 nan 0.000 0.445 205 N N 1.625 120.335 118.700 0.016 0.000 2.408 205 N HA 0.486 5.223 4.740 -0.005 0.000 0.280 205 N C -1.922 173.698 175.510 0.184 0.000 1.002 205 N CA -0.298 52.755 53.050 0.006 0.000 0.907 205 N CB 2.230 40.703 38.487 -0.023 0.000 1.161 205 N HN 0.799 nan 8.380 nan 0.000 0.488 206 V N 3.270 123.280 119.914 0.160 0.000 2.398 206 V HA 0.631 4.748 4.120 -0.005 0.000 0.286 206 V C -0.409 175.749 176.094 0.106 0.000 1.026 206 V CA -0.191 62.226 62.300 0.194 0.000 0.868 206 V CB 1.140 33.118 31.823 0.257 0.000 0.982 206 V HN 0.845 nan 8.190 nan 0.000 0.443 207 S N 5.902 121.674 115.700 0.120 0.000 2.627 207 S HA 0.732 5.198 4.470 -0.005 0.000 0.283 207 S C -0.578 174.084 174.600 0.103 0.000 1.127 207 S CA -0.824 57.434 58.200 0.097 0.000 0.863 207 S CB 1.999 65.253 63.200 0.090 0.000 1.121 207 S HN 0.908 nan 8.310 nan 0.000 0.479 208 M N 2.043 121.691 119.600 0.080 0.000 2.850 208 M HA 0.323 4.800 4.480 -0.005 0.000 0.288 208 M C -2.855 173.509 176.300 0.107 0.000 1.450 208 M CA -1.645 53.688 55.300 0.055 0.000 0.555 208 M CB 1.294 33.874 32.600 -0.033 0.000 1.507 208 M HN 0.503 nan 8.290 nan 0.000 0.415 209 P HA 0.157 nan 4.420 nan 0.000 0.271 209 P C -0.350 177.019 177.300 0.115 0.000 1.216 209 P CA 0.194 63.359 63.100 0.108 0.000 0.771 209 P CB 0.553 32.315 31.700 0.104 0.000 0.864 210 T N 0.254 114.849 114.554 0.068 0.000 2.860 210 T HA 0.074 4.421 4.350 -0.005 0.000 0.299 210 T C 0.671 175.280 174.700 -0.152 0.000 1.045 210 T CA -0.813 61.279 62.100 -0.013 0.000 1.071 210 T CB 0.165 68.941 68.868 -0.154 0.000 0.985 210 T HN 0.383 nan 8.240 nan 0.000 0.537 211 N N 1.284 119.867 118.700 -0.196 0.000 2.412 211 N HA -0.060 4.677 4.740 -0.005 0.000 0.258 211 N C 1.296 176.504 175.510 -0.503 0.000 1.236 211 N CA 0.502 53.399 53.050 -0.255 0.000 0.882 211 N CB 0.987 39.405 38.487 -0.114 0.000 1.066 211 N HN 0.886 nan 8.380 nan 0.000 0.465 212 T N 0.349 114.719 114.554 -0.307 0.000 3.194 212 T HA 0.109 4.455 4.350 -0.005 0.000 0.251 212 T C 0.692 175.226 174.700 -0.277 0.000 1.132 212 T CA 0.374 62.301 62.100 -0.288 0.000 1.028 212 T CB -0.327 68.440 68.868 -0.169 0.000 0.976 212 T HN 0.538 nan 8.240 nan 0.000 0.535 213 N N 0.124 118.649 118.700 -0.292 0.000 2.250 213 N HA 0.201 4.938 4.740 -0.005 0.000 0.190 213 N C -0.346 175.099 175.510 -0.108 0.000 1.116 213 N CA -0.489 52.459 53.050 -0.171 0.000 0.881 213 N CB 0.245 38.658 38.487 -0.124 0.000 1.006 213 N HN 0.688 nan 8.380 nan 0.000 0.491 214 Y N 0.619 120.830 120.300 -0.148 0.000 2.352 214 Y HA 0.604 5.151 4.550 -0.005 0.000 0.326 214 Y C 0.487 176.320 175.900 -0.113 0.000 1.166 214 Y CA -2.198 55.813 58.100 -0.149 0.000 1.182 214 Y CB 0.440 38.778 38.460 -0.203 0.000 1.216 214 Y HN -0.154 nan 8.280 nan 0.000 0.474 215 S N 2.279 118.048 115.700 0.115 0.000 2.585 215 S HA 0.550 5.016 4.470 -0.005 0.000 0.273 215 S C -0.797 173.883 174.600 0.133 0.000 1.339 215 S CA -0.814 57.423 58.200 0.062 0.000 1.028 215 S CB 0.703 63.923 63.200 0.035 0.000 0.906 215 S HN 0.764 nan 8.310 nan 0.000 0.528 216 K N 0.559 121.009 120.400 0.083 0.000 2.508 216 K HA 0.592 4.909 4.320 -0.005 0.000 0.260 216 K C -1.160 175.484 176.600 0.072 0.000 0.949 216 K CA -0.771 55.595 56.287 0.131 0.000 0.834 216 K CB 2.308 34.883 32.500 0.125 0.000 1.365 216 K HN 0.836 nan 8.250 nan 0.000 0.437 217 T N -2.113 112.483 114.554 0.070 0.000 2.841 217 T HA 0.509 4.856 4.350 -0.005 0.000 0.285 217 T C 0.693 175.391 174.700 -0.004 0.000 0.991 217 T CA -0.136 61.978 62.100 0.023 0.000 0.966 217 T CB 1.403 70.279 68.868 0.013 0.000 0.962 217 T HN 0.832 nan 8.240 nan 0.000 0.438 218 G N 1.990 110.783 108.800 -0.012 0.000 2.283 218 G HA2 -0.255 3.701 3.960 -0.005 0.000 0.280 218 G HA3 -0.255 3.701 3.960 -0.005 0.000 0.280 218 G C -0.089 174.784 174.900 -0.046 0.000 1.029 218 G CA 0.457 45.540 45.100 -0.029 0.000 0.840 218 G HN 1.130 nan 8.290 nan 0.000 0.505 219 E N 0.754 120.941 120.200 -0.021 0.000 2.360 219 E HA 0.457 4.804 4.350 -0.005 0.000 0.269 219 E C 0.753 177.349 176.600 -0.006 0.000 1.022 219 E CA 0.495 56.886 56.400 -0.014 0.000 0.887 219 E CB 0.380 30.126 29.700 0.075 0.000 0.990 219 E HN 0.465 nan 8.360 nan 0.000 0.426 220 T N 0.654 115.203 114.554 -0.008 0.000 2.900 220 T HA 0.470 4.817 4.350 -0.005 0.000 0.295 220 T C -0.511 174.206 174.700 0.027 0.000 1.044 220 T CA -0.902 61.201 62.100 0.005 0.000 0.995 220 T CB 1.855 70.720 68.868 -0.005 0.000 1.072 220 T HN 0.229 nan 8.240 nan 0.000 0.473 221 T N 2.794 117.364 114.554 0.027 0.000 2.815 221 T HA 0.726 5.072 4.350 -0.005 0.000 0.289 221 T C -0.273 174.440 174.700 0.022 0.000 1.000 221 T CA -0.683 61.439 62.100 0.036 0.000 0.958 221 T CB 1.190 70.081 68.868 0.038 0.000 0.944 221 T HN 1.068 nan 8.240 nan 0.000 0.442 222 T N -0.340 114.228 114.554 0.023 0.000 2.903 222 T HA 0.769 5.116 4.350 -0.005 0.000 0.299 222 T C -0.804 173.905 174.700 0.015 0.000 1.093 222 T CA -0.781 61.327 62.100 0.014 0.000 1.002 222 T CB 1.458 70.333 68.868 0.011 0.000 1.127 222 T HN 0.273 nan 8.240 nan 0.000 0.488 223 V N 1.719 121.638 119.914 0.008 0.000 2.495 223 V HA 0.704 4.821 4.120 -0.005 0.000 0.298 223 V C -0.260 175.837 176.094 0.004 0.000 1.031 223 V CA -0.739 61.565 62.300 0.006 0.000 0.871 223 V CB 1.681 33.503 31.823 -0.002 0.000 0.988 223 V HN 1.020 nan 8.190 nan 0.000 0.432 224 K N 3.232 123.637 120.400 0.007 0.000 2.613 224 K HA 0.593 4.910 4.320 -0.005 0.000 0.248 224 K C 0.644 177.247 176.600 0.006 0.000 0.959 224 K CA 0.403 56.693 56.287 0.006 0.000 0.855 224 K CB 1.408 33.913 32.500 0.008 0.000 1.143 224 K HN 0.966 nan 8.250 nan 0.000 0.437 225 G N 3.932 112.733 108.800 0.001 0.000 2.629 225 G HA2 -0.405 3.552 3.960 -0.005 0.000 0.313 225 G HA3 -0.405 3.552 3.960 -0.005 0.000 0.313 225 G C 0.306 175.207 174.900 0.001 0.000 1.217 225 G CA 0.779 45.880 45.100 0.001 0.000 0.994 225 G HN 0.853 nan 8.290 nan 0.000 0.549 226 D N 0.664 121.070 120.400 0.010 0.000 2.328 226 D HA 0.289 4.926 4.640 -0.005 0.000 0.226 226 D C 0.811 177.127 176.300 0.026 0.000 1.066 226 D CA 1.162 55.171 54.000 0.015 0.000 0.861 226 D CB -0.080 40.736 40.800 0.027 0.000 0.912 226 D HN 0.479 nan 8.370 nan 0.000 0.521 227 T N 0.824 115.392 114.554 0.023 0.000 2.848 227 T HA 0.428 4.775 4.350 -0.005 0.000 0.285 227 T C -0.831 173.884 174.700 0.025 0.000 0.995 227 T CA -0.769 61.349 62.100 0.031 0.000 0.970 227 T CB 1.961 70.850 68.868 0.035 0.000 0.976 227 T HN 0.050 nan 8.240 nan 0.000 0.441 228 L N 3.501 124.741 121.223 0.028 0.000 2.275 228 L HA 0.680 5.017 4.340 -0.005 0.000 0.288 228 L C -0.398 176.494 176.870 0.036 0.000 1.046 228 L CA 0.301 55.157 54.840 0.027 0.000 0.805 228 L CB 1.193 43.267 42.059 0.026 0.000 1.193 228 L HN 0.615 nan 8.230 nan 0.000 0.426 229 T N 4.606 119.185 114.554 0.042 0.000 2.812 229 T HA 0.599 4.946 4.350 -0.005 0.000 0.282 229 T C -0.877 173.870 174.700 0.078 0.000 0.990 229 T CA -0.414 61.722 62.100 0.060 0.000 0.960 229 T CB 1.500 70.398 68.868 0.051 0.000 0.948 229 T HN 0.334 nan 8.240 nan 0.000 0.438 230 V N 5.069 125.059 119.914 0.127 0.000 2.409 230 V HA 0.667 4.784 4.120 -0.005 0.000 0.291 230 V C -0.188 176.031 176.094 0.208 0.000 1.020 230 V CA -0.842 61.562 62.300 0.173 0.000 0.848 230 V CB 1.265 33.233 31.823 0.242 0.000 0.990 230 V HN 0.917 nan 8.190 nan 0.000 0.430 231 K N 3.220 123.668 120.400 0.081 0.000 2.532 231 K HA 0.944 5.261 4.320 -0.005 0.000 0.265 231 K C -0.377 176.013 176.600 -0.350 0.000 0.948 231 K CA -0.655 55.571 56.287 -0.102 0.000 0.842 231 K CB 2.853 35.323 32.500 -0.050 0.000 1.392 231 K HN 0.881 nan 8.250 nan 0.000 0.436 232 G N 0.040 108.314 108.800 -0.877 0.000 2.428 232 G HA2 0.605 4.562 3.960 -0.005 0.000 0.305 232 G HA3 0.605 4.562 3.960 -0.005 0.000 0.305 232 G C -1.912 172.467 174.900 -0.869 0.000 1.260 232 G CA -0.418 44.229 45.100 -0.754 0.000 0.853 232 G HN 0.825 nan 8.290 nan 0.000 0.480 233 A N -0.650 121.960 122.820 -0.351 0.000 2.414 233 A HA 0.781 5.098 4.320 -0.005 0.000 0.306 233 A C -0.368 177.345 177.584 0.215 0.000 1.054 233 A CA -0.604 51.399 52.037 -0.057 0.000 0.724 233 A CB 1.171 20.149 19.000 -0.036 0.000 1.267 233 A HN 0.896 nan 8.150 nan 0.000 0.418 234 L N 2.091 123.459 121.223 0.242 0.000 2.499 234 L HA 0.180 4.517 4.340 -0.005 0.000 0.273 234 L C 1.771 178.692 176.870 0.086 0.000 1.195 234 L CA 0.280 55.208 54.840 0.147 0.000 0.882 234 L CB 0.664 42.723 42.059 0.001 0.000 1.133 234 L HN 1.037 nan 8.230 nan 0.000 0.483 235 G N 2.220 111.073 108.800 0.088 0.000 2.422 235 G HA2 -0.265 3.692 3.960 -0.005 0.000 0.218 235 G HA3 -0.265 3.692 3.960 -0.005 0.000 0.218 235 G C 1.346 176.257 174.900 0.018 0.000 1.140 235 G CA 0.520 45.648 45.100 0.048 0.000 0.775 235 G HN 0.838 nan 8.290 nan 0.000 0.545 236 N N 1.953 120.655 118.700 0.004 0.000 2.188 236 N HA -0.124 4.612 4.740 -0.005 0.000 0.184 236 N C 1.336 176.822 175.510 -0.039 0.000 1.018 236 N CA 1.833 54.871 53.050 -0.020 0.000 0.858 236 N CB -0.100 38.366 38.487 -0.036 0.000 0.989 236 N HN 0.452 nan 8.380 nan 0.000 0.426 237 N N -2.318 116.355 118.700 -0.045 0.000 2.036 237 N HA 0.138 4.874 4.740 -0.005 0.000 0.228 237 N C 0.848 176.330 175.510 -0.047 0.000 1.368 237 N CA 0.646 53.648 53.050 -0.081 0.000 0.846 237 N CB -0.108 38.278 38.487 -0.168 0.000 1.145 237 N HN 0.172 nan 8.380 nan 0.000 0.502 238 G N 0.723 109.519 108.800 -0.008 0.000 2.162 238 G HA2 -0.299 3.657 3.960 -0.005 0.000 0.260 238 G HA3 -0.299 3.657 3.960 -0.005 0.000 0.260 238 G C -0.167 174.753 174.900 0.033 0.000 0.976 238 G CA 0.362 45.468 45.100 0.009 0.000 0.655 238 G HN 0.490 nan 8.290 nan 0.000 0.533 239 L N 1.212 122.470 121.223 0.058 0.000 2.559 239 L HA 0.438 4.775 4.340 -0.005 0.000 0.274 239 L C 0.860 177.809 176.870 0.130 0.000 1.205 239 L CA 0.217 55.129 54.840 0.119 0.000 0.907 239 L CB 0.323 42.483 42.059 0.169 0.000 1.153 239 L HN 0.217 nan 8.230 nan 0.000 0.490 240 L N 6.829 128.120 121.223 0.114 0.000 2.371 240 L HA 0.335 4.671 4.340 -0.005 0.000 0.272 240 L C -0.651 176.309 176.870 0.150 0.000 1.124 240 L CA -0.500 54.373 54.840 0.055 0.000 0.816 240 L CB 0.435 42.516 42.059 0.037 0.000 1.129 240 L HN 0.664 nan 8.230 nan 0.000 0.448 241 Y N 1.056 121.378 120.300 0.037 0.000 2.553 241 Y HA 0.666 5.213 4.550 -0.005 0.000 0.347 241 Y C -0.879 175.139 175.900 0.196 0.000 1.019 241 Y CA -1.247 56.896 58.100 0.071 0.000 1.032 241 Y CB 1.549 39.813 38.460 -0.327 0.000 1.284 241 Y HN 0.501 nan 8.280 nan 0.000 0.466 242 N N 1.582 120.634 118.700 0.587 0.000 2.493 242 N HA 0.394 5.131 4.740 -0.005 0.000 0.279 242 N C -1.987 173.838 175.510 0.525 0.000 1.082 242 N CA -0.191 53.116 53.050 0.427 0.000 0.963 242 N CB 2.371 40.991 38.487 0.222 0.000 1.627 242 N HN 1.000 nan 8.380 nan 0.000 0.499 243 S N 2.265 118.225 115.700 0.434 0.000 2.548 243 S HA 0.671 5.137 4.470 -0.005 0.000 0.286 243 S C -0.916 173.730 174.600 0.077 0.000 1.098 243 S CA -0.632 57.661 58.200 0.156 0.000 0.930 243 S CB 2.550 65.740 63.200 -0.018 0.000 1.070 243 S HN 0.556 nan 8.310 nan 0.000 0.480 244 Q N 1.206 121.007 119.800 0.003 0.000 2.359 244 Q HA 0.567 4.904 4.340 -0.005 0.000 0.274 244 Q C -1.390 174.606 176.000 -0.006 0.000 1.074 244 Q CA -0.547 55.267 55.803 0.018 0.000 0.810 244 Q CB 2.534 31.300 28.738 0.046 0.000 1.342 244 Q HN 0.753 nan 8.270 nan 0.000 0.427 245 I N 1.996 122.572 120.570 0.009 0.000 2.410 245 I HA 0.368 4.535 4.170 -0.005 0.000 0.286 245 I C -0.555 175.598 176.117 0.060 0.000 1.009 245 I CA -0.640 60.675 61.300 0.025 0.000 1.111 245 I CB 1.565 39.571 38.000 0.009 0.000 1.262 245 I HN 0.311 nan 8.210 nan 0.000 0.443 246 K N 6.402 126.864 120.400 0.103 0.000 2.240 246 K HA 0.548 4.865 4.320 -0.005 0.000 0.271 246 K C -1.211 175.474 176.600 0.143 0.000 1.018 246 K CA -0.481 55.881 56.287 0.124 0.000 0.874 246 K CB 1.491 34.084 32.500 0.154 0.000 1.098 246 K HN 0.398 nan 8.250 nan 0.000 0.458 247 V N 5.206 125.178 119.914 0.096 0.000 2.350 247 V HA 0.244 4.361 4.120 -0.005 0.000 0.276 247 V C -0.458 175.684 176.094 0.080 0.000 1.028 247 V CA -0.850 61.498 62.300 0.079 0.000 0.860 247 V CB 1.377 33.226 31.823 0.043 0.000 0.990 247 V HN 0.485 nan 8.190 nan 0.000 0.453 248 V N 6.808 126.780 119.914 0.096 0.000 2.350 248 V HA 0.408 4.524 4.120 -0.005 0.000 0.285 248 V C 0.004 176.129 176.094 0.052 0.000 1.014 248 V CA -0.522 61.838 62.300 0.100 0.000 0.831 248 V CB 1.411 33.355 31.823 0.201 0.000 1.000 248 V HN 0.655 nan 8.190 nan 0.000 0.433 249 L N 3.501 124.742 121.223 0.031 0.000 2.380 249 L HA 0.348 4.684 4.340 -0.005 0.000 0.273 249 L C 0.269 177.150 176.870 0.018 0.000 1.138 249 L CA -0.409 54.438 54.840 0.012 0.000 0.832 249 L CB 0.377 42.434 42.059 -0.005 0.000 1.124 249 L HN 0.523 nan 8.230 nan 0.000 0.454 250 D N 3.481 123.885 120.400 0.007 0.000 2.458 250 D HA -0.018 4.618 4.640 -0.005 0.000 0.243 250 D C 0.693 177.001 176.300 0.012 0.000 1.146 250 D CA 0.562 54.568 54.000 0.009 0.000 0.877 250 D CB 0.211 41.007 40.800 -0.007 0.000 1.176 250 D HN 0.483 nan 8.370 nan 0.000 0.461 251 N N 2.187 120.900 118.700 0.021 0.000 2.678 251 N HA -0.237 4.499 4.740 -0.005 0.000 0.250 251 N C 0.995 176.513 175.510 0.013 0.000 1.136 251 N CA 1.142 54.203 53.050 0.018 0.000 0.757 251 N CB -1.296 37.199 38.487 0.014 0.000 1.135 251 N HN 0.793 nan 8.380 nan 0.000 0.565 252 G N -0.177 108.631 108.800 0.013 0.000 2.168 252 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.257 252 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.257 252 G C -0.192 174.707 174.900 -0.001 0.000 0.997 252 G CA 0.815 45.919 45.100 0.007 0.000 0.708 252 G HN 0.644 nan 8.290 nan 0.000 0.520 253 E N 0.189 120.388 120.200 -0.001 0.000 2.194 253 E HA 0.519 4.866 4.350 -0.005 0.000 0.284 253 E C 0.803 177.396 176.600 -0.012 0.000 1.035 253 E CA 0.439 56.836 56.400 -0.004 0.000 0.836 253 E CB 1.046 30.745 29.700 -0.001 0.000 1.070 253 E HN 1.366 nan 8.360 nan 0.000 0.401 254 G N 2.275 111.064 108.800 -0.018 0.000 2.462 254 G HA2 -0.130 3.827 3.960 -0.005 0.000 0.685 254 G HA3 -0.130 3.827 3.960 -0.005 0.000 0.685 254 G C -0.693 174.182 174.900 -0.042 0.000 1.295 254 G CA -0.997 44.084 45.100 -0.032 0.000 0.941 254 G HN 0.412 nan 8.290 nan 0.000 0.554 255 T N 0.326 114.843 114.554 -0.062 0.000 2.824 255 T HA 0.596 4.943 4.350 -0.005 0.000 0.282 255 T C -0.687 173.956 174.700 -0.094 0.000 0.993 255 T CA -0.399 61.663 62.100 -0.064 0.000 0.967 255 T CB 1.773 70.608 68.868 -0.056 0.000 0.960 255 T HN 0.960 nan 8.240 nan 0.000 0.441 256 L N 4.066 125.241 121.223 -0.080 0.000 2.305 256 L HA 0.750 5.087 4.340 -0.005 0.000 0.284 256 L C -0.137 176.689 176.870 -0.075 0.000 1.013 256 L CA 0.030 54.813 54.840 -0.094 0.000 0.819 256 L CB 1.030 43.046 42.059 -0.071 0.000 1.227 256 L HN 0.824 nan 8.230 nan 0.000 0.417 257 S N 2.184 117.831 115.700 -0.088 0.000 2.595 257 S HA 0.561 5.028 4.470 -0.005 0.000 0.281 257 S C -0.649 173.912 174.600 -0.065 0.000 1.117 257 S CA -0.923 57.237 58.200 -0.066 0.000 0.873 257 S CB 1.370 64.532 63.200 -0.063 0.000 1.108 257 S HN 0.648 nan 8.310 nan 0.000 0.477 258 E N 0.650 120.822 120.200 -0.047 0.000 2.344 258 E HA 0.415 4.762 4.350 -0.005 0.000 0.270 258 E C 0.725 177.298 176.600 -0.045 0.000 1.021 258 E CA -0.286 56.090 56.400 -0.039 0.000 0.887 258 E CB 0.246 29.929 29.700 -0.027 0.000 0.997 258 E HN 0.853 nan 8.360 nan 0.000 0.429 259 G N 2.284 111.058 108.800 -0.045 0.000 2.484 259 G HA2 -0.072 3.884 3.960 -0.005 0.000 0.235 259 G HA3 -0.072 3.884 3.960 -0.005 0.000 0.235 259 G C 1.007 175.884 174.900 -0.037 0.000 1.282 259 G CA 0.156 45.229 45.100 -0.046 0.000 0.857 259 G HN 0.668 nan 8.290 nan 0.000 0.571 260 S N 0.451 116.128 115.700 -0.039 0.000 2.440 260 S HA -0.184 4.283 4.470 -0.005 0.000 0.238 260 S C 1.576 176.158 174.600 -0.030 0.000 1.010 260 S CA 1.570 59.750 58.200 -0.033 0.000 0.972 260 S CB -0.137 63.042 63.200 -0.034 0.000 0.774 260 S HN 0.727 nan 8.310 nan 0.000 0.501 261 D N 0.821 121.202 120.400 -0.031 0.000 2.355 261 D HA 0.185 4.822 4.640 -0.005 0.000 0.218 261 D C 1.471 177.757 176.300 -0.023 0.000 1.004 261 D CA 0.633 54.616 54.000 -0.029 0.000 0.880 261 D CB -1.052 39.728 40.800 -0.033 0.000 0.911 261 D HN 0.578 nan 8.370 nan 0.000 0.528 262 G N -0.222 108.566 108.800 -0.021 0.000 2.168 262 G HA2 -0.172 3.784 3.960 -0.005 0.000 0.257 262 G HA3 -0.172 3.784 3.960 -0.005 0.000 0.257 262 G C 0.698 175.592 174.900 -0.009 0.000 0.997 262 G CA 0.418 45.509 45.100 -0.015 0.000 0.708 262 G HN 1.072 nan 8.290 nan 0.000 0.520 263 A N -0.901 121.914 122.820 -0.009 0.000 2.568 263 A HA 0.767 5.084 4.320 -0.005 0.000 0.287 263 A C 0.567 178.155 177.584 0.006 0.000 0.967 263 A CA 1.290 53.328 52.037 0.001 0.000 1.004 263 A CB 0.215 19.215 19.000 -0.001 0.000 1.233 263 A HN 2.026 nan 8.150 nan 0.000 0.513 264 S N -1.254 114.445 115.700 -0.002 0.000 2.615 264 S HA 0.775 5.241 4.470 -0.005 0.000 0.269 264 S C -1.747 172.844 174.600 -0.015 0.000 1.161 264 S CA -0.671 57.529 58.200 0.001 0.000 0.817 264 S CB 1.190 64.388 63.200 -0.003 0.000 1.131 264 S HN 0.477 nan 8.310 nan 0.000 0.467 265 L N 1.433 122.645 121.223 -0.019 0.000 2.346 265 L HA 0.660 4.997 4.340 -0.005 0.000 0.276 265 L C -0.465 176.337 176.870 -0.113 0.000 1.006 265 L CA -0.496 54.312 54.840 -0.053 0.000 0.817 265 L CB 1.718 43.756 42.059 -0.035 0.000 1.272 265 L HN 0.953 nan 8.230 nan 0.000 0.421 266 K N 3.367 123.676 120.400 -0.152 0.000 2.265 266 K HA 0.625 4.942 4.320 -0.005 0.000 0.267 266 K C -1.567 174.841 176.600 -0.320 0.000 0.994 266 K CA -0.552 55.598 56.287 -0.228 0.000 0.860 266 K CB 1.408 33.814 32.500 -0.156 0.000 1.099 266 K HN 0.431 nan 8.250 nan 0.000 0.448 267 V N 3.808 123.384 119.914 -0.564 0.000 2.370 267 V HA 0.317 4.433 4.120 -0.005 0.000 0.279 267 V C -0.423 175.418 176.094 -0.422 0.000 1.029 267 V CA -0.512 61.432 62.300 -0.593 0.000 0.870 267 V CB 1.231 32.397 31.823 -1.096 0.000 0.984 267 V HN 0.927 nan 8.190 nan 0.000 0.451 268 S N 2.273 117.828 115.700 -0.241 0.000 2.536 268 S HA 0.577 5.043 4.470 -0.005 0.000 0.287 268 S C -0.445 174.103 174.600 -0.086 0.000 1.101 268 S CA -0.671 57.443 58.200 -0.144 0.000 0.950 268 S CB 1.877 65.013 63.200 -0.107 0.000 1.056 268 S HN 0.792 nan 8.310 nan 0.000 0.481 269 D N -0.354 120.022 120.400 -0.040 0.000 2.870 269 D HA -0.147 4.489 4.640 -0.005 0.000 0.228 269 D C 0.359 176.655 176.300 -0.007 0.000 1.147 269 D CA 1.402 55.397 54.000 -0.009 0.000 0.757 269 D CB -1.686 39.107 40.800 -0.012 0.000 1.091 269 D HN 0.932 nan 8.370 nan 0.000 0.429 270 A N -0.305 122.511 122.820 -0.007 0.000 2.247 270 A HA 0.589 4.906 4.320 -0.005 0.000 0.313 270 A C 1.219 178.823 177.584 0.034 0.000 1.109 270 A CA -0.019 52.020 52.037 0.003 0.000 0.890 270 A CB 1.773 20.766 19.000 -0.012 0.000 1.239 270 A HN 0.049 nan 8.150 nan 0.000 0.506 271 K N -1.723 118.692 120.400 0.026 0.000 2.424 271 K HA 0.503 4.820 4.320 -0.005 0.000 0.200 271 K C 0.035 176.646 176.600 0.018 0.000 1.279 271 K CA 0.898 57.198 56.287 0.021 0.000 0.918 271 K CB 0.762 33.262 32.500 -0.000 0.000 1.287 271 K HN 0.872 nan 8.250 nan 0.000 0.502 272 A N 1.240 124.064 122.820 0.006 0.000 2.488 272 A HA 0.563 4.880 4.320 -0.005 0.000 0.298 272 A C -1.226 176.346 177.584 -0.020 0.000 1.044 272 A CA -0.638 51.386 52.037 -0.022 0.000 0.693 272 A CB 1.661 20.622 19.000 -0.064 0.000 1.272 272 A HN 0.059 nan 8.150 nan 0.000 0.402 273 V N -1.027 118.868 119.914 -0.032 0.000 3.007 273 V HA 0.938 5.055 4.120 -0.005 0.000 0.311 273 V C -0.571 175.445 176.094 -0.131 0.000 1.120 273 V CA -0.536 61.751 62.300 -0.023 0.000 0.980 273 V CB 1.627 33.514 31.823 0.106 0.000 1.033 273 V HN 0.865 nan 8.190 nan 0.000 0.429 274 T N 4.908 119.377 114.554 -0.143 0.000 2.792 274 T HA 0.732 5.079 4.350 -0.005 0.000 0.280 274 T C -0.793 173.743 174.700 -0.274 0.000 0.990 274 T CA -0.247 61.677 62.100 -0.293 0.000 0.960 274 T CB 1.234 69.900 68.868 -0.338 0.000 0.939 274 T HN 0.582 nan 8.240 nan 0.000 0.439 275 L N 3.588 124.621 121.223 -0.318 0.000 2.295 275 L HA 0.481 4.818 4.340 -0.005 0.000 0.285 275 L C -0.905 175.737 176.870 -0.380 0.000 1.035 275 L CA -0.548 54.169 54.840 -0.204 0.000 0.806 275 L CB 0.439 42.453 42.059 -0.075 0.000 1.214 275 L HN 0.608 nan 8.230 nan 0.000 0.426 276 Y N 4.369 124.677 120.300 0.013 0.000 2.328 276 Y HA 0.617 5.164 4.550 -0.005 0.000 0.337 276 Y C -0.171 175.735 175.900 0.009 0.000 0.966 276 Y CA -0.498 57.608 58.100 0.011 0.000 1.136 276 Y CB 1.183 39.660 38.460 0.029 0.000 1.170 276 Y HN 0.353 nan 8.280 nan 0.000 0.470 277 I N 3.335 123.985 120.570 0.133 0.000 2.436 277 I HA 0.769 4.936 4.170 -0.005 0.000 0.289 277 I C -0.375 175.795 176.117 0.088 0.000 1.010 277 I CA -0.554 60.781 61.300 0.058 0.000 1.098 277 I CB 1.643 39.648 38.000 0.008 0.000 1.266 277 I HN 0.681 nan 8.210 nan 0.000 0.434 278 A N 4.711 127.559 122.820 0.046 0.000 2.469 278 A HA 1.025 5.342 4.320 -0.005 0.000 0.299 278 A C -1.186 176.407 177.584 0.016 0.000 1.098 278 A CA -0.568 51.512 52.037 0.071 0.000 0.737 278 A CB 1.916 20.967 19.000 0.084 0.000 1.312 278 A HN 0.871 nan 8.150 nan 0.000 0.414 279 A N -0.440 122.405 122.820 0.042 0.000 2.594 279 A HA 1.010 5.326 4.320 -0.005 0.000 0.295 279 A C -0.571 177.077 177.584 0.107 0.000 1.071 279 A CA 0.066 52.088 52.037 -0.024 0.000 0.685 279 A CB 1.197 19.956 19.000 -0.401 0.000 1.285 279 A HN 2.705 nan 8.150 nan 0.000 0.405 280 A N 0.034 123.020 122.820 0.277 0.000 2.601 280 A HA 0.948 5.264 4.320 -0.005 0.000 0.291 280 A C -0.265 177.600 177.584 0.468 0.000 1.075 280 A CA 0.196 52.429 52.037 0.326 0.000 0.671 280 A CB 0.911 20.047 19.000 0.225 0.000 1.277 280 A HN 2.354 nan 8.150 nan 0.000 0.417 281 T N -2.032 112.759 114.554 0.395 0.000 2.883 281 T HA 0.600 4.947 4.350 -0.005 0.000 0.284 281 T C -0.191 174.674 174.700 0.276 0.000 1.041 281 T CA 0.272 62.584 62.100 0.353 0.000 1.007 281 T CB 1.591 70.678 68.868 0.366 0.000 1.220 281 T HN 0.765 nan 8.240 nan 0.000 0.552 282 D N -0.481 120.061 120.400 0.237 0.000 2.370 282 D HA 0.026 4.663 4.640 -0.005 0.000 0.230 282 D C 0.194 176.621 176.300 0.211 0.000 1.143 282 D CA -0.542 53.568 54.000 0.184 0.000 0.834 282 D CB -0.888 39.986 40.800 0.122 0.000 0.944 282 D HN 0.586 nan 8.370 nan 0.000 0.504 283 Y N 1.965 122.375 120.300 0.183 0.000 2.702 283 Y HA 0.154 4.701 4.550 -0.005 0.000 0.336 283 Y C 0.104 176.101 175.900 0.162 0.000 1.235 283 Y CA 0.332 58.556 58.100 0.207 0.000 1.492 283 Y CB 0.546 39.132 38.460 0.210 0.000 1.308 283 Y HN -0.125 nan 8.280 nan 0.000 0.589 284 K N 4.803 124.751 120.400 -0.754 0.000 2.523 284 K HA 0.173 4.490 4.320 -0.005 0.000 0.257 284 K C -1.421 174.657 176.600 -0.870 0.000 0.932 284 K CA -0.834 55.090 56.287 -0.604 0.000 0.812 284 K CB 1.662 34.018 32.500 -0.240 0.000 1.326 284 K HN 0.766 nan 8.250 nan 0.000 0.433 285 Q N 3.902 123.448 119.800 -0.424 0.000 2.664 285 Q HA 0.077 4.414 4.340 -0.005 0.000 0.223 285 Q C -1.288 174.580 176.000 -0.219 0.000 1.298 285 Q CA 0.271 56.006 55.803 -0.113 0.000 0.965 285 Q CB 0.224 29.039 28.738 0.129 0.000 1.510 285 Q HN 0.343 nan 8.270 nan 0.000 0.567 286 K N 3.412 123.517 120.400 -0.491 0.000 2.687 286 K HA 0.112 4.429 4.320 -0.005 0.000 0.249 286 K C -1.904 174.220 176.600 -0.794 0.000 0.994 286 K CA -0.670 55.340 56.287 -0.462 0.000 0.913 286 K CB 0.890 33.206 32.500 -0.305 0.000 1.202 286 K HN 0.399 nan 8.250 nan 0.000 0.460 287 Y N 5.858 125.733 120.300 -0.708 0.000 2.359 287 Y HA 0.236 4.782 4.550 -0.006 0.000 0.330 287 Y C -1.613 174.118 175.900 -0.282 0.000 1.143 287 Y CA -1.076 56.683 58.100 -0.569 0.000 1.318 287 Y CB 1.136 39.461 38.460 -0.224 0.000 1.234 287 Y HN 0.535 nan 8.280 nan 0.000 0.522 288 P HA 0.024 nan 4.420 nan 0.000 0.264 288 P C 0.720 177.847 177.300 -0.288 0.000 1.259 288 P CA 0.819 63.339 63.100 -0.966 0.000 0.841 288 P CB 0.418 31.517 31.700 -1.000 0.000 1.232 289 S N -1.123 114.419 115.700 -0.263 0.000 2.446 289 S HA -0.092 4.375 4.470 -0.005 0.000 0.225 289 S C 0.750 175.381 174.600 0.052 0.000 1.016 289 S CA -0.139 58.014 58.200 -0.080 0.000 0.943 289 S CB -1.303 61.837 63.200 -0.099 0.000 0.786 289 S HN 0.036 nan 8.310 nan 0.000 0.508 290 Y N 1.717 121.971 120.300 -0.077 0.000 3.491 290 Y HA -0.181 4.366 4.550 -0.005 0.000 0.215 290 Y C 0.422 176.239 175.900 -0.138 0.000 1.219 290 Y CA 0.504 58.544 58.100 -0.100 0.000 1.485 290 Y CB -1.706 36.855 38.460 0.169 0.000 1.450 290 Y HN 0.310 nan 8.280 nan 0.000 0.603 291 R N -1.057 119.411 120.500 -0.054 0.000 2.771 291 R HA 0.440 4.777 4.340 -0.005 0.000 0.274 291 R C 1.183 177.452 176.300 -0.052 0.000 0.987 291 R CA 0.019 56.105 56.100 -0.023 0.000 0.908 291 R CB 1.099 31.408 30.300 0.015 0.000 1.213 291 R HN 0.125 nan 8.270 nan 0.000 0.468 292 T N -2.368 112.178 114.554 -0.013 0.000 2.951 292 T HA 0.032 4.378 4.350 -0.005 0.000 0.268 292 T C 1.294 175.990 174.700 -0.007 0.000 1.073 292 T CA 1.164 63.259 62.100 -0.008 0.000 1.134 292 T CB 0.027 68.912 68.868 0.028 0.000 0.884 292 T HN 0.895 nan 8.240 nan 0.000 0.479 293 G N 1.029 109.829 108.800 0.000 0.000 2.175 293 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.244 293 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.244 293 G C -0.175 174.731 174.900 0.010 0.000 0.982 293 G CA 0.064 45.164 45.100 -0.001 0.000 0.641 293 G HN 0.668 nan 8.290 nan 0.000 0.527 294 E N 1.531 121.744 120.200 0.022 0.000 2.404 294 E HA 0.431 4.778 4.350 -0.005 0.000 0.261 294 E C 1.239 177.854 176.600 0.025 0.000 1.074 294 E CA 0.510 56.927 56.400 0.028 0.000 0.917 294 E CB 0.546 30.272 29.700 0.043 0.000 0.965 294 E HN 0.460 nan 8.360 nan 0.000 0.433 295 T N -1.168 113.398 114.554 0.020 0.000 2.816 295 T HA 0.352 4.699 4.350 -0.005 0.000 0.282 295 T C 1.175 175.886 174.700 0.018 0.000 0.993 295 T CA -0.306 61.803 62.100 0.015 0.000 0.994 295 T CB 1.407 70.281 68.868 0.010 0.000 1.025 295 T HN 0.475 nan 8.240 nan 0.000 0.529 296 A N 0.997 123.822 122.820 0.007 0.000 1.908 296 A HA 0.107 4.423 4.320 -0.005 0.000 0.218 296 A C 2.654 180.245 177.584 0.012 0.000 1.181 296 A CA 2.033 54.071 52.037 0.002 0.000 0.627 296 A CB -1.608 17.379 19.000 -0.023 0.000 0.818 296 A HN 1.264 nan 8.150 nan 0.000 0.445 297 A N -0.304 122.522 122.820 0.010 0.000 1.902 297 A HA -0.190 4.126 4.320 -0.005 0.000 0.217 297 A C 1.927 179.526 177.584 0.024 0.000 1.181 297 A CA 1.731 53.776 52.037 0.014 0.000 0.623 297 A CB -0.525 18.481 19.000 0.010 0.000 0.818 297 A HN 0.653 nan 8.150 nan 0.000 0.443 298 E N -0.440 119.776 120.200 0.026 0.000 2.072 298 E HA -0.107 4.240 4.350 -0.005 0.000 0.191 298 E C 1.987 178.615 176.600 0.046 0.000 0.985 298 E CA 1.213 57.632 56.400 0.032 0.000 0.801 298 E CB -0.252 29.466 29.700 0.030 0.000 0.750 298 E HN 0.401 nan 8.360 nan 0.000 0.452 299 V N 1.760 121.706 119.914 0.054 0.000 2.343 299 V HA -0.291 3.826 4.120 -0.005 0.000 0.247 299 V C 2.151 178.291 176.094 0.078 0.000 1.051 299 V CA 2.053 64.399 62.300 0.078 0.000 1.036 299 V CB -0.687 31.192 31.823 0.094 0.000 0.654 299 V HN 0.289 nan 8.190 nan 0.000 0.451 300 N N 0.249 118.985 118.700 0.060 0.000 2.069 300 N HA -0.185 4.551 4.740 -0.005 0.000 0.191 300 N C 1.781 177.322 175.510 0.051 0.000 1.031 300 N CA 2.244 55.327 53.050 0.056 0.000 0.852 300 N CB -0.329 38.181 38.487 0.038 0.000 1.018 300 N HN 0.461 nan 8.380 nan 0.000 0.423 301 T N -0.118 114.462 114.554 0.043 0.000 2.746 301 T HA -0.150 4.197 4.350 -0.005 0.000 0.267 301 T C 1.841 176.567 174.700 0.043 0.000 1.039 301 T CA 1.276 63.398 62.100 0.037 0.000 1.142 301 T CB -0.275 68.611 68.868 0.030 0.000 0.866 301 T HN 0.313 nan 8.240 nan 0.000 0.444 302 R N 0.607 121.138 120.500 0.052 0.000 2.073 302 R HA -0.077 4.260 4.340 -0.005 0.000 0.234 302 R C 2.304 178.643 176.300 0.065 0.000 1.134 302 R CA 1.330 57.465 56.100 0.059 0.000 0.952 302 R CB -0.565 29.776 30.300 0.069 0.000 0.850 302 R HN 0.219 nan 8.270 nan 0.000 0.433 303 V N 1.135 121.095 119.914 0.077 0.000 2.427 303 V HA -0.192 3.925 4.120 -0.005 0.000 0.248 303 V C 2.480 178.612 176.094 0.063 0.000 1.051 303 V CA 1.813 64.162 62.300 0.081 0.000 1.048 303 V CB -0.729 31.155 31.823 0.102 0.000 0.666 303 V HN 0.577 nan 8.190 nan 0.000 0.456 304 A N -0.223 122.629 122.820 0.054 0.000 1.908 304 A HA -0.287 4.030 4.320 -0.005 0.000 0.218 304 A C 2.351 179.953 177.584 0.030 0.000 1.181 304 A CA 2.264 54.326 52.037 0.040 0.000 0.627 304 A CB -0.484 18.537 19.000 0.035 0.000 0.818 304 A HN 0.520 nan 8.150 nan 0.000 0.445 305 K N -0.332 120.087 120.400 0.031 0.000 2.148 305 K HA -0.046 4.271 4.320 -0.005 0.000 0.204 305 K C 1.785 178.396 176.600 0.018 0.000 1.050 305 K CA 1.229 57.529 56.287 0.021 0.000 0.942 305 K CB -0.202 32.313 32.500 0.026 0.000 0.724 305 K HN 0.263 nan 8.250 nan 0.000 0.446 306 V N 1.206 121.141 119.914 0.034 0.000 2.255 306 V HA -0.264 3.853 4.120 -0.005 0.000 0.247 306 V C 2.363 178.466 176.094 0.015 0.000 1.051 306 V CA 1.991 64.314 62.300 0.039 0.000 1.018 306 V CB -0.446 31.416 31.823 0.065 0.000 0.641 306 V HN 0.376 nan 8.190 nan 0.000 0.445 307 V N -1.561 118.365 119.914 0.021 0.000 2.427 307 V HA -0.247 3.870 4.120 -0.005 0.000 0.248 307 V C 2.318 178.351 176.094 -0.101 0.000 1.051 307 V CA 2.191 64.491 62.300 -0.000 0.000 1.048 307 V CB -0.890 30.975 31.823 0.069 0.000 0.666 307 V HN 0.506 nan 8.190 nan 0.000 0.456 308 Q N 1.053 120.819 119.800 -0.057 0.000 2.046 308 Q HA -0.178 4.158 4.340 -0.005 0.000 0.200 308 Q C 1.906 177.845 176.000 -0.102 0.000 0.975 308 Q CA 2.319 58.079 55.803 -0.072 0.000 0.836 308 Q CB -0.592 28.130 28.738 -0.027 0.000 0.896 308 Q HN 0.688 nan 8.270 nan 0.000 0.428 309 D N -0.282 120.075 120.400 -0.071 0.000 2.123 309 D HA -0.148 4.489 4.640 -0.005 0.000 0.196 309 D C 1.589 177.823 176.300 -0.110 0.000 0.992 309 D CA 1.516 55.479 54.000 -0.061 0.000 0.833 309 D CB -0.353 40.436 40.800 -0.019 0.000 0.954 309 D HN 0.401 nan 8.370 nan 0.000 0.455 310 A N 0.997 123.707 122.820 -0.183 0.000 1.873 310 A HA -0.026 4.290 4.320 -0.005 0.000 0.215 310 A C 2.331 179.562 177.584 -0.589 0.000 1.186 310 A CA 2.246 54.103 52.037 -0.300 0.000 0.616 310 A CB -0.803 18.026 19.000 -0.286 0.000 0.823 310 A HN 0.231 nan 8.150 nan 0.000 0.442 311 A N 0.288 122.621 122.820 -0.812 0.000 1.940 311 A HA -0.215 4.102 4.320 -0.005 0.000 0.219 311 A C 1.887 179.352 177.584 -0.198 0.000 1.176 311 A CA 1.935 53.598 52.037 -0.623 0.000 0.631 311 A CB -0.685 18.104 19.000 -0.351 0.000 0.814 311 A HN 0.544 nan 8.150 nan 0.000 0.446 312 N N 0.062 118.676 118.700 -0.143 0.000 2.166 312 N HA -0.120 4.617 4.740 -0.005 0.000 0.186 312 N C 1.587 177.083 175.510 -0.022 0.000 1.019 312 N CA 1.507 54.525 53.050 -0.054 0.000 0.856 312 N CB -0.306 38.156 38.487 -0.040 0.000 0.993 312 N HN 0.576 nan 8.380 nan 0.000 0.426 313 K N -0.044 120.337 120.400 -0.031 0.000 2.097 313 K HA 0.069 4.386 4.320 -0.005 0.000 0.205 313 K C 0.783 177.418 176.600 0.058 0.000 1.050 313 K CA 0.749 57.045 56.287 0.016 0.000 0.938 313 K CB -0.148 32.367 32.500 0.025 0.000 0.718 313 K HN 0.293 nan 8.250 nan 0.000 0.442 314 G N 0.039 108.888 108.800 0.081 0.000 2.690 314 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.686 314 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.686 314 G C -0.028 175.057 174.900 0.308 0.000 1.277 314 G CA -0.109 45.110 45.100 0.199 0.000 0.799 314 G HN 0.201 nan 8.290 nan 0.000 0.613 315 Y N 0.786 121.247 120.300 0.269 0.000 2.097 315 Y HA -0.150 4.397 4.550 -0.005 0.000 0.282 315 Y C 3.107 179.128 175.900 0.201 0.000 1.152 315 Y CA 3.375 61.626 58.100 0.252 0.000 1.136 315 Y CB -0.544 38.006 38.460 0.150 0.000 0.975 315 Y HN 0.714 nan 8.280 nan 0.000 0.498 316 T N 0.856 115.415 114.554 0.007 0.000 2.684 316 T HA -0.236 4.111 4.350 -0.005 0.000 0.267 316 T C 2.109 176.752 174.700 -0.095 0.000 1.036 316 T CA 1.833 63.861 62.100 -0.120 0.000 1.148 316 T CB -0.896 67.992 68.868 0.032 0.000 0.863 316 T HN 0.515 nan 8.240 nan 0.000 0.436 317 A N 0.762 123.584 122.820 0.003 0.000 1.898 317 A HA -0.002 4.315 4.320 -0.005 0.000 0.216 317 A C 2.599 180.206 177.584 0.039 0.000 1.181 317 A CA 1.181 53.231 52.037 0.021 0.000 0.620 317 A CB -0.923 18.105 19.000 0.046 0.000 0.819 317 A HN 0.350 nan 8.150 nan 0.000 0.442 318 V N 0.315 120.284 119.914 0.093 0.000 2.343 318 V HA -0.264 3.853 4.120 -0.005 0.000 0.247 318 V C 2.543 178.728 176.094 0.153 0.000 1.051 318 V CA 2.386 64.798 62.300 0.186 0.000 1.036 318 V CB -0.633 31.393 31.823 0.338 0.000 0.654 318 V HN 0.700 nan 8.190 nan 0.000 0.451 319 K N 0.448 120.838 120.400 -0.017 0.000 2.026 319 K HA -0.247 4.070 4.320 -0.005 0.000 0.208 319 K C 2.312 178.778 176.600 -0.225 0.000 1.048 319 K CA 1.893 58.002 56.287 -0.297 0.000 0.929 319 K CB -0.193 31.990 32.500 -0.529 0.000 0.713 319 K HN 0.379 nan 8.250 nan 0.000 0.439 320 K N 0.167 120.485 120.400 -0.137 0.000 2.009 320 K HA -0.161 4.156 4.320 -0.005 0.000 0.210 320 K C 2.004 178.576 176.600 -0.046 0.000 1.049 320 K CA 1.450 57.686 56.287 -0.085 0.000 0.929 320 K CB -0.261 32.209 32.500 -0.050 0.000 0.714 320 K HN 0.235 nan 8.250 nan 0.000 0.440 321 A N 1.236 124.058 122.820 0.003 0.000 1.933 321 A HA -0.234 4.083 4.320 -0.005 0.000 0.218 321 A C 2.182 179.799 177.584 0.055 0.000 1.175 321 A CA 1.746 53.807 52.037 0.040 0.000 0.628 321 A CB -1.002 18.043 19.000 0.076 0.000 0.814 321 A HN 0.633 nan 8.150 nan 0.000 0.444 322 H N -0.133 118.916 119.070 -0.034 0.000 2.293 322 H HA -0.084 4.469 4.556 -0.005 0.000 0.300 322 H C 1.997 177.293 175.328 -0.053 0.000 1.082 322 H CA 2.033 58.055 56.048 -0.043 0.000 1.308 322 H CB -0.158 29.483 29.762 -0.201 0.000 1.375 322 H HN 0.453 nan 8.280 nan 0.000 0.495 323 I N 1.027 121.386 120.570 -0.352 0.000 2.226 323 I HA -0.248 3.919 4.170 -0.005 0.000 0.245 323 I C 2.134 178.165 176.117 -0.144 0.000 1.100 323 I CA 1.222 62.331 61.300 -0.320 0.000 1.374 323 I CB -0.301 37.581 38.000 -0.197 0.000 1.057 323 I HN 0.249 nan 8.210 nan 0.000 0.413 324 D N 0.729 121.078 120.400 -0.085 0.000 2.104 324 D HA -0.247 4.390 4.640 -0.005 0.000 0.194 324 D C 1.732 178.024 176.300 -0.014 0.000 0.994 324 D CA 1.717 55.701 54.000 -0.028 0.000 0.830 324 D CB -0.417 40.377 40.800 -0.010 0.000 0.959 324 D HN 0.399 nan 8.370 nan 0.000 0.452 325 D N -0.711 119.676 120.400 -0.021 0.000 2.097 325 D HA -0.200 4.437 4.640 -0.005 0.000 0.197 325 D C 2.014 178.320 176.300 0.010 0.000 0.984 325 D CA 1.148 55.155 54.000 0.011 0.000 0.826 325 D CB -0.038 40.792 40.800 0.049 0.000 0.973 325 D HN 0.214 nan 8.370 nan 0.000 0.460 326 H N -0.088 118.896 119.070 -0.144 0.000 2.293 326 H HA -0.103 4.449 4.556 -0.005 0.000 0.300 326 H C 2.092 177.433 175.328 0.022 0.000 1.082 326 H CA 2.111 58.103 56.048 -0.093 0.000 1.308 326 H CB -0.267 29.336 29.762 -0.265 0.000 1.375 326 H HN 0.298 nan 8.280 nan 0.000 0.495 327 S N 0.509 116.260 115.700 0.085 0.000 2.423 327 S HA -0.018 4.449 4.470 -0.005 0.000 0.231 327 S C 2.438 177.084 174.600 0.076 0.000 1.014 327 S CA 0.817 59.093 58.200 0.126 0.000 0.965 327 S CB -0.481 62.796 63.200 0.128 0.000 0.785 327 S HN 0.542 nan 8.310 nan 0.000 0.495 328 A N 1.954 124.795 122.820 0.034 0.000 1.940 328 A HA 0.025 4.342 4.320 -0.005 0.000 0.219 328 A C 2.170 179.766 177.584 0.020 0.000 1.176 328 A CA 1.662 53.716 52.037 0.028 0.000 0.631 328 A CB -0.725 18.288 19.000 0.021 0.000 0.814 328 A HN 0.634 nan 8.150 nan 0.000 0.446 329 I N -3.047 117.519 120.570 -0.006 0.000 2.339 329 I HA -0.104 4.062 4.170 -0.005 0.000 0.245 329 I C 2.397 178.510 176.117 -0.007 0.000 1.096 329 I CA 1.105 62.395 61.300 -0.016 0.000 1.408 329 I CB -0.433 37.542 38.000 -0.042 0.000 1.092 329 I HN 0.431 nan 8.210 nan 0.000 0.423 330 Y N 1.988 122.197 120.300 -0.151 0.000 2.181 330 Y HA -0.271 4.276 4.550 -0.005 0.000 0.288 330 Y C 1.843 177.757 175.900 0.025 0.000 1.146 330 Y CA 1.695 59.748 58.100 -0.079 0.000 1.164 330 Y CB -0.131 38.260 38.460 -0.114 0.000 0.982 330 Y HN 0.167 nan 8.280 nan 0.000 0.515 331 D N -0.354 120.115 120.400 0.116 0.000 2.349 331 D HA -0.013 4.624 4.640 -0.005 0.000 0.224 331 D C 1.839 178.146 176.300 0.011 0.000 1.029 331 D CA 0.410 54.455 54.000 0.075 0.000 0.879 331 D CB -0.110 40.773 40.800 0.139 0.000 0.906 331 D HN 0.449 nan 8.370 nan 0.000 0.528 332 R N -0.189 120.305 120.500 -0.011 0.000 2.120 332 R HA -0.000 4.336 4.340 -0.005 0.000 0.234 332 R C 0.513 176.819 176.300 0.011 0.000 1.123 332 R CA 0.597 56.702 56.100 0.007 0.000 0.975 332 R CB 0.330 30.636 30.300 0.011 0.000 0.866 332 R HN -0.025 nan 8.270 nan 0.000 0.446 333 V N 1.749 121.650 119.914 -0.023 0.000 2.495 333 V HA 0.275 4.392 4.120 -0.005 0.000 0.298 333 V C -0.336 175.759 176.094 0.002 0.000 1.031 333 V CA -0.792 61.520 62.300 0.020 0.000 0.871 333 V CB 1.875 33.742 31.823 0.073 0.000 0.988 333 V HN 0.022 nan 8.190 nan 0.000 0.432 334 K N 4.574 124.992 120.400 0.030 0.000 2.371 334 K HA 0.674 4.990 4.320 -0.005 0.000 0.251 334 K C -1.190 175.415 176.600 0.009 0.000 0.934 334 K CA -0.549 55.750 56.287 0.020 0.000 0.798 334 K CB 3.173 35.682 32.500 0.015 0.000 1.204 334 K HN 0.673 nan 8.250 nan 0.000 0.427 335 I N 1.137 121.698 120.570 -0.016 0.000 2.571 335 I HA 0.239 4.406 4.170 -0.005 0.000 0.289 335 I C -1.625 174.427 176.117 -0.109 0.000 1.115 335 I CA -0.443 60.809 61.300 -0.080 0.000 1.045 335 I CB 1.874 39.769 38.000 -0.174 0.000 1.238 335 I HN 0.423 nan 8.210 nan 0.000 0.424 336 D N 7.628 127.932 120.400 -0.159 0.000 2.469 336 D HA 0.369 5.005 4.640 -0.005 0.000 0.251 336 D C -0.197 175.933 176.300 -0.283 0.000 1.173 336 D CA -0.196 53.690 54.000 -0.190 0.000 0.882 336 D CB 1.493 42.190 40.800 -0.171 0.000 1.129 336 D HN 0.549 nan 8.370 nan 0.000 0.549 337 L N 2.424 123.479 121.223 -0.280 0.000 2.857 337 L HA 0.370 4.707 4.340 -0.005 0.000 0.249 337 L C 1.329 178.065 176.870 -0.222 0.000 1.172 337 L CA 0.040 54.678 54.840 -0.337 0.000 0.980 337 L CB 0.516 42.245 42.059 -0.550 0.000 1.299 337 L HN 0.679 nan 8.230 nan 0.000 0.535 338 G N 0.686 109.384 108.800 -0.171 0.000 2.130 338 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.216 338 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.216 338 G C 0.210 175.066 174.900 -0.075 0.000 0.999 338 G CA -0.071 44.961 45.100 -0.112 0.000 0.686 338 G HN 0.424 nan 8.290 nan 0.000 0.515 339 Q N 1.000 120.754 119.800 -0.076 0.000 2.392 339 Q HA 0.530 4.867 4.340 -0.005 0.000 0.262 339 Q C 0.721 176.703 176.000 -0.030 0.000 1.003 339 Q CA 0.433 56.214 55.803 -0.037 0.000 0.888 339 Q CB 1.012 29.733 28.738 -0.030 0.000 1.260 339 Q HN 0.960 nan 8.270 nan 0.000 0.435 340 S N 0.869 116.564 115.700 -0.008 0.000 2.641 340 S HA 0.804 5.270 4.470 -0.005 0.000 0.261 340 S C 0.377 174.976 174.600 -0.001 0.000 1.257 340 S CA -0.110 58.084 58.200 -0.010 0.000 0.983 340 S CB 1.152 64.359 63.200 0.012 0.000 0.990 340 S HN 0.997 nan 8.310 nan 0.000 0.572 341 G N -1.075 107.715 108.800 -0.017 0.000 2.682 341 G HA2 0.406 4.362 3.960 -0.005 0.000 0.303 341 G HA3 0.406 4.362 3.960 -0.005 0.000 0.303 341 G C 0.280 175.166 174.900 -0.024 0.000 1.341 341 G CA -0.204 44.894 45.100 -0.004 0.000 0.784 341 G HN 0.916 nan 8.290 nan 0.000 0.497 342 H N -0.907 118.102 119.070 -0.101 0.000 2.521 342 H HA 0.054 4.607 4.556 -0.005 0.000 0.286 342 H C 1.318 176.402 175.328 -0.406 0.000 1.034 342 H CA 1.627 57.514 56.048 -0.268 0.000 1.278 342 H CB 0.103 29.475 29.762 -0.651 0.000 1.386 342 H HN 0.190 nan 8.280 nan 0.000 0.567 343 S N 0.372 115.549 115.700 -0.873 0.000 2.575 343 S HA 0.084 4.551 4.470 -0.005 0.000 0.215 343 S C 0.610 175.016 174.600 -0.324 0.000 0.966 343 S CA -0.306 57.505 58.200 -0.649 0.000 0.911 343 S CB 0.243 63.014 63.200 -0.715 0.000 0.780 343 S HN 0.306 nan 8.310 nan 0.000 0.514 344 S N 2.796 118.361 115.700 -0.224 0.000 2.579 344 S HA 0.098 4.565 4.470 -0.005 0.000 0.275 344 S C -0.150 174.401 174.600 -0.081 0.000 1.345 344 S CA -0.410 57.717 58.200 -0.121 0.000 1.031 344 S CB 0.219 63.380 63.200 -0.066 0.000 0.892 344 S HN 0.288 nan 8.310 nan 0.000 0.529 345 D N 1.391 121.754 120.400 -0.062 0.000 2.450 345 D HA 0.334 4.971 4.640 -0.005 0.000 0.247 345 D C 1.168 177.463 176.300 -0.007 0.000 1.162 345 D CA 1.171 55.149 54.000 -0.036 0.000 0.879 345 D CB 0.119 40.899 40.800 -0.033 0.000 1.163 345 D HN 0.845 nan 8.370 nan 0.000 0.472 346 G N 1.710 110.518 108.800 0.013 0.000 2.246 346 G HA2 -0.140 3.816 3.960 -0.005 0.000 0.273 346 G HA3 -0.140 3.816 3.960 -0.005 0.000 0.273 346 G C 0.495 175.441 174.900 0.077 0.000 1.055 346 G CA 0.114 45.239 45.100 0.042 0.000 0.851 346 G HN 0.826 nan 8.290 nan 0.000 0.500 347 A N -0.822 122.060 122.820 0.105 0.000 2.511 347 A HA 0.616 4.933 4.320 -0.005 0.000 0.242 347 A C 0.927 178.719 177.584 0.346 0.000 1.069 347 A CA 0.559 52.722 52.037 0.210 0.000 0.763 347 A CB 0.545 19.665 19.000 0.200 0.000 1.001 347 A HN 1.943 nan 8.150 nan 0.000 0.498 348 V N 0.258 120.327 119.914 0.258 0.000 2.581 348 V HA 0.819 4.936 4.120 -0.005 0.000 0.303 348 V C 0.579 176.467 176.094 -0.343 0.000 1.041 348 V CA -0.631 61.688 62.300 0.032 0.000 0.907 348 V CB 0.743 32.545 31.823 -0.035 0.000 0.994 348 V HN 1.545 nan 8.190 nan 0.000 0.442 349 A N 3.153 125.417 122.820 -0.926 0.000 2.466 349 A HA 0.394 4.711 4.320 -0.005 0.000 0.238 349 A C 1.377 178.382 177.584 -0.965 0.000 1.074 349 A CA 0.617 51.660 52.037 -1.656 0.000 0.774 349 A CB -0.125 18.145 19.000 -1.216 0.000 1.015 349 A HN 1.099 nan 8.150 nan 0.000 0.498 350 T N 0.866 114.744 114.554 -1.128 0.000 2.788 350 T HA -0.149 4.198 4.350 -0.005 0.000 0.268 350 T C 1.447 175.908 174.700 -0.399 0.000 1.044 350 T CA 1.831 63.516 62.100 -0.691 0.000 1.139 350 T CB -0.399 68.008 68.868 -0.767 0.000 0.867 350 T HN 0.902 nan 8.240 nan 0.000 0.454 351 D N 2.185 122.382 120.400 -0.339 0.000 2.117 351 D HA -0.012 4.624 4.640 -0.005 0.000 0.198 351 D C 2.228 178.460 176.300 -0.112 0.000 0.982 351 D CA 1.230 55.186 54.000 -0.074 0.000 0.828 351 D CB -0.846 40.003 40.800 0.082 0.000 0.967 351 D HN 0.420 nan 8.370 nan 0.000 0.464 352 A N 0.480 123.191 122.820 -0.182 0.000 1.933 352 A HA -0.062 4.254 4.320 -0.005 0.000 0.218 352 A C 2.239 179.766 177.584 -0.095 0.000 1.175 352 A CA 1.481 53.440 52.037 -0.131 0.000 0.628 352 A CB -0.892 18.012 19.000 -0.160 0.000 0.814 352 A HN 0.282 nan 8.150 nan 0.000 0.444 353 L N -0.713 120.428 121.223 -0.136 0.000 2.017 353 L HA -0.125 4.212 4.340 -0.005 0.000 0.208 353 L C 2.268 179.137 176.870 -0.002 0.000 1.073 353 L CA 2.116 56.917 54.840 -0.064 0.000 0.745 353 L CB -0.590 41.408 42.059 -0.102 0.000 0.894 353 L HN 0.365 nan 8.230 nan 0.000 0.432 354 L N -0.148 121.049 121.223 -0.042 0.000 2.042 354 L HA -0.240 4.097 4.340 -0.005 0.000 0.210 354 L C 2.568 179.472 176.870 0.056 0.000 1.076 354 L CA 2.128 56.964 54.840 -0.006 0.000 0.749 354 L CB -0.817 41.223 42.059 -0.032 0.000 0.893 354 L HN 0.366 nan 8.230 nan 0.000 0.432 355 K N -0.844 119.571 120.400 0.024 0.000 2.057 355 K HA -0.167 4.150 4.320 -0.005 0.000 0.207 355 K C 2.013 178.642 176.600 0.048 0.000 1.049 355 K CA 1.369 57.675 56.287 0.031 0.000 0.931 355 K CB -0.272 32.230 32.500 0.003 0.000 0.714 355 K HN 0.480 nan 8.250 nan 0.000 0.440 356 A N 0.094 122.942 122.820 0.046 0.000 1.902 356 A HA -0.197 4.120 4.320 -0.005 0.000 0.217 356 A C 2.040 179.670 177.584 0.076 0.000 1.181 356 A CA 1.370 53.435 52.037 0.046 0.000 0.623 356 A CB -0.883 18.138 19.000 0.035 0.000 0.818 356 A HN 0.546 nan 8.150 nan 0.000 0.443 357 Y N 0.441 120.736 120.300 -0.007 0.000 2.145 357 Y HA -0.278 4.268 4.550 -0.006 0.000 0.286 357 Y C 2.662 178.559 175.900 -0.005 0.000 1.145 357 Y CA 2.388 60.488 58.100 0.001 0.000 1.148 357 Y CB -0.215 38.247 38.460 0.003 0.000 0.981 357 Y HN 0.432 nan 8.280 nan 0.000 0.507 358 Q N -0.476 119.446 119.800 0.203 0.000 2.124 358 Q HA -0.184 4.153 4.340 -0.005 0.000 0.202 358 Q C 2.120 178.142 176.000 0.035 0.000 0.977 358 Q CA 1.584 57.456 55.803 0.115 0.000 0.850 358 Q CB -0.126 28.668 28.738 0.093 0.000 0.901 358 Q HN 0.457 nan 8.270 nan 0.000 0.429 359 R N -0.914 119.599 120.500 0.022 0.000 2.275 359 R HA 0.061 4.398 4.340 -0.005 0.000 0.199 359 R C 0.933 177.218 176.300 -0.026 0.000 0.989 359 R CA 0.578 56.677 56.100 -0.001 0.000 1.016 359 R CB 0.412 30.714 30.300 0.003 0.000 0.918 359 R HN 0.363 nan 8.270 nan 0.000 0.473 360 G N 0.911 109.678 108.800 -0.054 0.000 2.137 360 G HA2 -0.283 3.674 3.960 -0.005 0.000 0.237 360 G HA3 -0.283 3.674 3.960 -0.005 0.000 0.237 360 G C 0.633 175.497 174.900 -0.061 0.000 1.002 360 G CA 0.563 45.611 45.100 -0.087 0.000 0.702 360 G HN 0.453 nan 8.290 nan 0.000 0.515 361 S N -1.398 114.279 115.700 -0.039 0.000 2.539 361 S HA 0.691 5.158 4.470 -0.005 0.000 0.221 361 S C 1.219 175.811 174.600 -0.014 0.000 0.987 361 S CA 1.094 59.281 58.200 -0.022 0.000 0.929 361 S CB 0.738 63.932 63.200 -0.010 0.000 0.832 361 S HN 1.855 nan 8.310 nan 0.000 0.492 362 A N 3.004 125.812 122.820 -0.019 0.000 2.488 362 A HA 0.516 4.833 4.320 -0.005 0.000 0.249 362 A C 0.920 178.504 177.584 0.001 0.000 1.083 362 A CA -0.054 51.988 52.037 0.009 0.000 0.768 362 A CB -0.236 18.793 19.000 0.048 0.000 1.017 362 A HN 0.609 nan 8.150 nan 0.000 0.496 363 T N 0.431 114.997 114.554 0.020 0.000 2.766 363 T HA 0.207 4.554 4.350 -0.005 0.000 0.295 363 T C 1.364 176.085 174.700 0.036 0.000 1.024 363 T CA 0.441 62.553 62.100 0.019 0.000 1.018 363 T CB 0.196 69.075 68.868 0.019 0.000 1.002 363 T HN 0.555 nan 8.240 nan 0.000 0.532 364 T N 1.430 116.004 114.554 0.034 0.000 2.665 364 T HA -0.117 4.230 4.350 -0.005 0.000 0.268 364 T C 2.406 177.144 174.700 0.063 0.000 1.035 364 T CA 1.657 63.789 62.100 0.053 0.000 1.151 364 T CB -0.986 67.906 68.868 0.041 0.000 0.862 364 T HN 0.810 nan 8.240 nan 0.000 0.438 365 A N 1.192 124.036 122.820 0.038 0.000 1.940 365 A HA -0.200 4.117 4.320 -0.005 0.000 0.219 365 A C 2.285 179.901 177.584 0.053 0.000 1.176 365 A CA 1.740 53.794 52.037 0.029 0.000 0.631 365 A CB -0.666 18.341 19.000 0.010 0.000 0.814 365 A HN 0.580 nan 8.150 nan 0.000 0.446 366 Q N -0.517 119.324 119.800 0.068 0.000 2.079 366 Q HA -0.127 4.210 4.340 -0.005 0.000 0.200 366 Q C 2.086 178.188 176.000 0.170 0.000 0.974 366 Q CA 1.484 57.343 55.803 0.095 0.000 0.840 366 Q CB -0.150 28.637 28.738 0.081 0.000 0.898 366 Q HN 0.634 nan 8.270 nan 0.000 0.430 367 K N 0.211 120.736 120.400 0.208 0.000 2.032 367 K HA -0.116 4.201 4.320 -0.005 0.000 0.209 367 K C 2.070 178.871 176.600 0.335 0.000 1.048 367 K CA 0.907 57.423 56.287 0.381 0.000 0.927 367 K CB 0.002 32.669 32.500 0.278 0.000 0.712 367 K HN 0.054 nan 8.250 nan 0.000 0.441 368 R N 1.089 121.706 120.500 0.195 0.000 2.120 368 R HA -0.126 4.210 4.340 -0.005 0.000 0.234 368 R C 2.082 178.418 176.300 0.060 0.000 1.123 368 R CA 1.152 57.310 56.100 0.096 0.000 0.975 368 R CB -0.453 29.843 30.300 -0.005 0.000 0.866 368 R HN 0.479 nan 8.270 nan 0.000 0.446 369 E N 0.613 120.855 120.200 0.070 0.000 2.031 369 E HA -0.191 4.156 4.350 -0.005 0.000 0.193 369 E C 1.869 178.497 176.600 0.047 0.000 0.994 369 E CA 1.009 57.440 56.400 0.053 0.000 0.800 369 E CB -0.061 29.673 29.700 0.056 0.000 0.752 369 E HN 0.080 nan 8.360 nan 0.000 0.447 370 L N 1.435 122.686 121.223 0.045 0.000 2.046 370 L HA -0.152 4.185 4.340 -0.005 0.000 0.208 370 L C 1.940 178.788 176.870 -0.037 0.000 1.077 370 L CA 1.883 56.691 54.840 -0.052 0.000 0.747 370 L CB -0.325 41.617 42.059 -0.195 0.000 0.896 370 L HN 0.147 nan 8.230 nan 0.000 0.432 371 E N -1.117 119.116 120.200 0.054 0.000 2.051 371 E HA -0.217 4.130 4.350 -0.005 0.000 0.192 371 E C 2.007 178.692 176.600 0.142 0.000 0.991 371 E CA 1.933 58.417 56.400 0.139 0.000 0.799 371 E CB -0.313 29.583 29.700 0.327 0.000 0.748 371 E HN 0.704 nan 8.360 nan 0.000 0.449 372 T N -0.503 114.102 114.554 0.083 0.000 2.904 372 T HA -0.038 4.308 4.350 -0.005 0.000 0.267 372 T C 1.992 176.802 174.700 0.184 0.000 1.059 372 T CA 0.477 62.640 62.100 0.104 0.000 1.137 372 T CB -0.266 68.608 68.868 0.010 0.000 0.879 372 T HN 0.024 nan 8.240 nan 0.000 0.467 373 L N 0.664 121.956 121.223 0.115 0.000 2.017 373 L HA -0.046 4.290 4.340 -0.005 0.000 0.208 373 L C 2.955 179.894 176.870 0.115 0.000 1.073 373 L CA 0.983 55.880 54.840 0.095 0.000 0.745 373 L CB -0.583 41.478 42.059 0.003 0.000 0.894 373 L HN 0.174 nan 8.230 nan 0.000 0.432 374 V N -0.898 119.075 119.914 0.099 0.000 2.343 374 V HA -0.348 3.769 4.120 -0.005 0.000 0.247 374 V C 2.203 178.429 176.094 0.220 0.000 1.051 374 V CA 1.939 64.323 62.300 0.140 0.000 1.036 374 V CB -0.736 31.132 31.823 0.075 0.000 0.654 374 V HN 0.426 nan 8.190 nan 0.000 0.451 375 Y N 1.470 121.853 120.300 0.138 0.000 2.081 375 Y HA -0.309 4.238 4.550 -0.006 0.000 0.280 375 Y C 2.519 178.530 175.900 0.184 0.000 1.163 375 Y CA 2.156 60.348 58.100 0.153 0.000 1.135 375 Y CB -0.277 38.257 38.460 0.124 0.000 0.970 375 Y HN 0.153 nan 8.280 nan 0.000 0.498 376 K N -1.316 119.196 120.400 0.187 0.000 2.148 376 K HA -0.213 4.103 4.320 -0.005 0.000 0.204 376 K C 1.959 178.740 176.600 0.302 0.000 1.050 376 K CA 1.343 57.735 56.287 0.176 0.000 0.942 376 K CB -0.503 32.201 32.500 0.339 0.000 0.724 376 K HN 0.334 nan 8.250 nan 0.000 0.446 377 Y N 1.367 121.749 120.300 0.136 0.000 2.224 377 Y HA -0.123 4.423 4.550 -0.006 0.000 0.289 377 Y C 2.259 178.265 175.900 0.177 0.000 1.146 377 Y CA 1.241 59.440 58.100 0.164 0.000 1.182 377 Y CB -0.794 37.705 38.460 0.065 0.000 0.983 377 Y HN 0.054 nan 8.280 nan 0.000 0.524 378 G N -0.317 108.558 108.800 0.126 0.000 2.422 378 G HA2 -0.229 3.728 3.960 -0.005 0.000 0.218 378 G HA3 -0.229 3.728 3.960 -0.005 0.000 0.218 378 G C 1.882 176.886 174.900 0.173 0.000 1.146 378 G CA 0.698 45.828 45.100 0.049 0.000 0.769 378 G HN 0.335 nan 8.290 nan 0.000 0.547 379 R N -1.031 119.517 120.500 0.080 0.000 2.066 379 R HA -0.043 4.294 4.340 -0.005 0.000 0.232 379 R C 2.315 178.767 176.300 0.253 0.000 1.131 379 R CA 1.215 57.371 56.100 0.094 0.000 0.955 379 R CB -0.718 29.555 30.300 -0.045 0.000 0.851 379 R HN 0.462 nan 8.270 nan 0.000 0.432 380 Y N 1.928 122.406 120.300 0.297 0.000 2.114 380 Y HA -0.246 4.301 4.550 -0.005 0.000 0.282 380 Y C 1.944 178.009 175.900 0.275 0.000 1.165 380 Y CA 1.647 59.967 58.100 0.367 0.000 1.148 380 Y CB -0.312 38.391 38.460 0.404 0.000 0.972 380 Y HN -0.035 nan 8.280 nan 0.000 0.504 381 L N -0.877 120.466 121.223 0.200 0.000 2.201 381 L HA -0.191 4.146 4.340 -0.005 0.000 0.212 381 L C 2.267 179.379 176.870 0.402 0.000 1.105 381 L CA 1.490 56.447 54.840 0.194 0.000 0.775 381 L CB -0.736 41.302 42.059 -0.034 0.000 0.913 381 L HN 0.249 nan 8.230 nan 0.000 0.440 382 T N 0.254 115.028 114.554 0.366 0.000 2.737 382 T HA -0.130 4.217 4.350 -0.005 0.000 0.265 382 T C 1.916 176.648 174.700 0.054 0.000 1.038 382 T CA 1.324 63.492 62.100 0.114 0.000 1.144 382 T CB -0.194 68.637 68.868 -0.063 0.000 0.866 382 T HN 0.194 nan 8.240 nan 0.000 0.434 383 I N 1.370 121.968 120.570 0.047 0.000 2.208 383 I HA -0.128 4.038 4.170 -0.005 0.000 0.245 383 I C 2.875 179.036 176.117 0.073 0.000 1.097 383 I CA 1.400 62.719 61.300 0.033 0.000 1.363 383 I CB -0.711 37.287 38.000 -0.002 0.000 1.051 383 I HN 0.319 nan 8.210 nan 0.000 0.413 384 G N -0.078 108.768 108.800 0.076 0.000 2.448 384 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.218 384 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.218 384 G C 1.665 176.642 174.900 0.128 0.000 1.135 384 G CA 1.039 46.277 45.100 0.229 0.000 0.784 384 G HN 0.526 nan 8.290 nan 0.000 0.543 385 S N -2.222 113.518 115.700 0.065 0.000 2.520 385 S HA 0.371 4.838 4.470 -0.005 0.000 0.219 385 S C 0.694 175.239 174.600 -0.093 0.000 1.028 385 S CA 0.531 58.626 58.200 -0.175 0.000 0.921 385 S CB 0.600 63.700 63.200 -0.168 0.000 0.844 385 S HN 0.149 nan 8.310 nan 0.000 0.495 386 S N 1.733 117.417 115.700 -0.027 0.000 2.496 386 S HA 0.552 5.019 4.470 -0.005 0.000 0.221 386 S C -0.963 173.647 174.600 0.017 0.000 1.260 386 S CA -0.716 57.482 58.200 -0.003 0.000 1.181 386 S CB 0.289 63.481 63.200 -0.014 0.000 1.136 386 S HN 0.266 nan 8.310 nan 0.000 0.467 387 R N 1.947 122.462 120.500 0.026 0.000 2.782 387 R HA 0.430 4.766 4.340 -0.005 0.000 0.258 387 R C 1.161 177.484 176.300 0.038 0.000 1.055 387 R CA -0.725 55.398 56.100 0.038 0.000 1.065 387 R CB 0.312 30.645 30.300 0.056 0.000 1.172 387 R HN 0.645 nan 8.270 nan 0.000 0.510 388 E N 0.939 121.163 120.200 0.040 0.000 2.171 388 E HA -0.231 4.116 4.350 -0.005 0.000 0.197 388 E C 0.778 177.401 176.600 0.038 0.000 0.997 388 E CA 1.757 58.179 56.400 0.038 0.000 0.810 388 E CB 0.051 29.775 29.700 0.040 0.000 0.738 388 E HN 0.476 nan 8.360 nan 0.000 0.467 389 N N -0.201 118.527 118.700 0.046 0.000 2.235 389 N HA 0.014 4.750 4.740 -0.005 0.000 0.209 389 N C -0.443 175.098 175.510 0.053 0.000 1.122 389 N CA -0.087 52.993 53.050 0.050 0.000 0.845 389 N CB 0.421 38.943 38.487 0.057 0.000 1.004 389 N HN -0.214 nan 8.380 nan 0.000 0.499 390 S N 0.871 116.597 115.700 0.043 0.000 2.560 390 S HA 0.029 4.496 4.470 -0.005 0.000 0.284 390 S C 1.118 175.747 174.600 0.049 0.000 1.327 390 S CA -0.305 57.917 58.200 0.038 0.000 1.055 390 S CB 1.083 64.294 63.200 0.017 0.000 0.868 390 S HN 0.339 nan 8.310 nan 0.000 0.506 391 Q N 0.818 120.659 119.800 0.070 0.000 2.245 391 Q HA 0.153 4.490 4.340 -0.005 0.000 0.201 391 Q C -0.189 175.858 176.000 0.078 0.000 0.955 391 Q CA 0.786 56.655 55.803 0.110 0.000 0.870 391 Q CB 0.036 28.892 28.738 0.196 0.000 0.945 391 Q HN 0.531 nan 8.270 nan 0.000 0.461 392 L N 0.754 121.987 121.223 0.017 0.000 2.371 392 L HA 0.459 4.796 4.340 -0.005 0.000 0.262 392 L C -2.398 174.431 176.870 -0.067 0.000 1.006 392 L CA -2.471 52.336 54.840 -0.055 0.000 0.818 392 L CB 2.205 44.246 42.059 -0.029 0.000 1.354 392 L HN -0.128 nan 8.230 nan 0.000 0.415 393 P HA 0.093 nan 4.420 nan 0.000 0.275 393 P C -0.698 176.666 177.300 0.106 0.000 1.266 393 P CA -0.472 62.597 63.100 -0.051 0.000 0.793 393 P CB 0.500 32.043 31.700 -0.262 0.000 1.074 394 S N 0.270 116.050 115.700 0.133 0.000 2.552 394 S HA 0.078 4.544 4.470 -0.005 0.000 0.289 394 S C 0.482 175.132 174.600 0.083 0.000 1.304 394 S CA -0.419 57.797 58.200 0.027 0.000 1.063 394 S CB -0.818 62.337 63.200 -0.075 0.000 0.848 394 S HN 0.582 nan 8.310 nan 0.000 0.499 395 N N 2.554 121.182 118.700 -0.121 0.000 2.593 395 N HA 0.299 5.036 4.740 -0.005 0.000 0.304 395 N C 0.816 176.184 175.510 -0.236 0.000 1.296 395 N CA -0.957 51.883 53.050 -0.351 0.000 0.950 395 N CB -0.309 37.684 38.487 -0.823 0.000 1.127 395 N HN 0.478 nan 8.380 nan 0.000 0.587 396 L N -1.533 119.523 121.223 -0.279 0.000 2.349 396 L HA -0.111 4.225 4.340 -0.005 0.000 0.220 396 L C 1.100 177.772 176.870 -0.330 0.000 1.130 396 L CA 1.363 56.054 54.840 -0.250 0.000 0.791 396 L CB -0.402 41.522 42.059 -0.226 0.000 0.918 396 L HN 0.583 nan 8.230 nan 0.000 0.444 397 Q N -1.504 118.130 119.800 -0.276 0.000 2.135 397 Q HA 0.228 4.565 4.340 -0.005 0.000 0.222 397 Q C 1.162 177.218 176.000 0.093 0.000 0.808 397 Q CA 0.349 56.001 55.803 -0.252 0.000 1.049 397 Q CB 1.376 30.104 28.738 -0.016 0.000 1.168 397 Q HN 0.438 nan 8.270 nan 0.000 0.483 398 G N 2.639 111.442 108.800 0.004 0.000 3.377 398 G HA2 -0.380 3.577 3.960 -0.005 0.000 0.304 398 G HA3 -0.380 3.577 3.960 -0.005 0.000 0.304 398 G C 0.642 175.352 174.900 -0.318 0.000 1.366 398 G CA 0.608 45.715 45.100 0.011 0.000 1.020 398 G HN 0.526 nan 8.290 nan 0.000 0.621 399 I N -4.473 115.722 120.570 -0.625 0.000 4.442 399 I HA 0.465 4.631 4.170 -0.005 0.000 0.331 399 I C -0.107 175.823 176.117 -0.312 0.000 1.364 399 I CA -0.668 60.260 61.300 -0.620 0.000 1.207 399 I CB 0.407 37.935 38.000 -0.788 0.000 1.298 399 I HN 0.270 nan 8.210 nan 0.000 0.463 400 W N 3.626 125.105 121.300 0.298 0.000 2.349 400 W HA 0.655 5.311 4.660 -0.006 0.000 0.309 400 W C 0.076 176.942 176.519 0.579 0.000 1.083 400 W CA -0.561 57.049 57.345 0.442 0.000 1.224 400 W CB 1.578 31.352 29.460 0.523 0.000 1.256 400 W HN 0.227 nan 8.180 nan 0.000 0.461 401 S N 0.585 116.551 115.700 0.443 0.000 2.565 401 S HA 0.453 4.920 4.470 -0.005 0.000 0.269 401 S C -0.982 173.220 174.600 -0.664 0.000 1.153 401 S CA -0.703 57.446 58.200 -0.085 0.000 0.835 401 S CB 2.554 65.740 63.200 -0.022 0.000 1.122 401 S HN 0.208 nan 8.310 nan 0.000 0.462 402 V N 1.125 120.370 119.914 -1.116 0.000 3.572 402 V HA 0.279 4.396 4.120 -0.005 0.000 0.260 402 V C 0.730 176.553 176.094 -0.452 0.000 1.324 402 V CA 1.449 63.214 62.300 -0.892 0.000 1.068 402 V CB 0.099 31.187 31.823 -1.225 0.000 0.837 402 V HN 1.161 nan 8.190 nan 0.000 0.450 403 T N 0.163 114.475 114.554 -0.404 0.000 2.909 403 T HA 0.794 5.141 4.350 -0.005 0.000 0.289 403 T C -0.287 174.256 174.700 -0.261 0.000 1.005 403 T CA 0.154 62.068 62.100 -0.310 0.000 1.084 403 T CB 1.769 70.429 68.868 -0.347 0.000 0.975 403 T HN 0.749 nan 8.240 nan 0.000 0.509 404 A N 0.800 123.501 122.820 -0.198 0.000 2.574 404 A HA 0.952 5.269 4.320 -0.005 0.000 0.297 404 A C -0.171 177.348 177.584 -0.107 0.000 1.062 404 A CA -0.397 51.549 52.037 -0.152 0.000 0.686 404 A CB 1.605 20.600 19.000 -0.008 0.000 1.285 404 A HN 1.604 nan 8.150 nan 0.000 0.403 405 G N -0.262 108.470 108.800 -0.112 0.000 2.559 405 G HA2 0.487 4.444 3.960 -0.005 0.000 0.291 405 G HA3 0.487 4.444 3.960 -0.005 0.000 0.291 405 G C -0.722 174.124 174.900 -0.091 0.000 1.424 405 G CA -0.188 44.867 45.100 -0.075 0.000 0.786 405 G HN 0.371 nan 8.290 nan 0.000 0.485 406 D N -0.377 119.988 120.400 -0.057 0.000 2.123 406 D HA 0.044 4.681 4.640 -0.005 0.000 0.200 406 D C 0.661 176.912 176.300 -0.083 0.000 0.976 406 D CA 1.036 54.998 54.000 -0.063 0.000 0.831 406 D CB 0.192 40.976 40.800 -0.027 0.000 0.974 406 D HN 0.228 nan 8.370 nan 0.000 0.469 407 N N -0.217 118.439 118.700 -0.074 0.000 2.443 407 N HA 0.526 5.263 4.740 -0.005 0.000 0.293 407 N C -0.510 174.939 175.510 -0.101 0.000 1.159 407 N CA -0.552 52.459 53.050 -0.065 0.000 0.904 407 N CB 1.414 39.890 38.487 -0.019 0.000 1.214 407 N HN -0.054 nan 8.380 nan 0.000 0.513 408 A N 0.518 123.267 122.820 -0.119 0.000 2.507 408 A HA 0.101 4.417 4.320 -0.005 0.000 0.235 408 A C 0.046 177.547 177.584 -0.137 0.000 1.070 408 A CA 0.188 52.086 52.037 -0.231 0.000 0.768 408 A CB -0.440 18.378 19.000 -0.303 0.000 1.011 408 A HN 0.894 nan 8.150 nan 0.000 0.502 409 H N -0.589 118.444 119.070 -0.062 0.000 2.713 409 H HA -0.200 4.352 4.556 -0.006 0.000 0.311 409 H C 0.948 176.210 175.328 -0.110 0.000 1.175 409 H CA 1.007 56.995 56.048 -0.100 0.000 1.143 409 H CB -1.783 27.935 29.762 -0.074 0.000 1.434 409 H HN 1.007 nan 8.280 nan 0.000 0.418 410 G N 0.228 108.985 108.800 -0.070 0.000 3.157 410 G HA2 0.028 3.985 3.960 -0.005 0.000 0.206 410 G HA3 0.028 3.985 3.960 -0.005 0.000 0.206 410 G C 1.180 176.006 174.900 -0.124 0.000 1.903 410 G CA 0.042 45.093 45.100 -0.081 0.000 0.771 410 G HN 0.219 nan 8.290 nan 0.000 0.750 411 N N 0.413 119.028 118.700 -0.142 0.000 2.463 411 N HA 0.091 4.828 4.740 -0.005 0.000 0.181 411 N C -0.048 175.329 175.510 -0.221 0.000 1.078 411 N CA 0.514 53.461 53.050 -0.172 0.000 0.902 411 N CB 0.398 38.789 38.487 -0.160 0.000 0.970 411 N HN 0.175 nan 8.380 nan 0.000 0.451 412 T N 2.910 117.336 114.554 -0.214 0.000 2.792 412 T HA 0.301 4.648 4.350 -0.005 0.000 0.280 412 T C -2.723 171.858 174.700 -0.198 0.000 0.990 412 T CA -1.431 60.542 62.100 -0.211 0.000 0.960 412 T CB 2.724 71.466 68.868 -0.211 0.000 0.939 412 T HN -0.038 nan 8.240 nan 0.000 0.439 413 P HA -0.037 nan 4.420 nan 0.000 0.267 413 P C 0.328 177.539 177.300 -0.147 0.000 1.209 413 P CA 0.037 62.919 63.100 -0.362 0.000 0.763 413 P CB 0.283 31.791 31.700 -0.320 0.000 0.816 414 W N 2.515 123.755 121.300 -0.099 0.000 4.973 414 W HA -0.199 4.458 4.660 -0.005 0.000 0.350 414 W C 1.172 177.611 176.519 -0.133 0.000 1.280 414 W CA 1.118 58.400 57.345 -0.105 0.000 0.854 414 W CB -2.762 26.551 29.460 -0.245 0.000 2.367 414 W HN 0.833 nan 8.180 nan 0.000 1.511 415 G N -0.357 108.403 108.800 -0.067 0.000 2.180 415 G HA2 -0.332 3.624 3.960 -0.005 0.000 0.263 415 G HA3 -0.332 3.624 3.960 -0.005 0.000 0.263 415 G C 0.678 175.462 174.900 -0.193 0.000 0.989 415 G CA 1.460 46.459 45.100 -0.168 0.000 0.692 415 G HN 1.434 nan 8.290 nan 0.000 0.526 416 S N -0.275 115.376 115.700 -0.083 0.000 3.559 416 S HA -0.221 4.245 4.470 -0.005 0.000 0.369 416 S C 0.879 175.326 174.600 -0.254 0.000 0.987 416 S CA 2.056 60.183 58.200 -0.122 0.000 1.187 416 S CB -1.494 61.673 63.200 -0.055 0.000 0.914 416 S HN 1.725 nan 8.310 nan 0.000 0.480 417 D N 0.034 120.365 120.400 -0.116 0.000 2.496 417 D HA 0.414 5.050 4.640 -0.005 0.000 0.283 417 D C 0.005 176.117 176.300 -0.313 0.000 1.214 417 D CA -0.663 53.302 54.000 -0.057 0.000 1.089 417 D CB -0.099 40.853 40.800 0.253 0.000 1.141 417 D HN 0.309 nan 8.370 nan 0.000 0.580 418 F N -0.360 119.703 119.950 0.188 0.000 2.313 418 F HA 0.213 4.737 4.527 -0.005 0.000 0.369 418 F C 0.556 176.402 175.800 0.077 0.000 1.109 418 F CA -0.634 57.380 58.000 0.024 0.000 1.132 418 F CB 0.526 39.448 39.000 -0.131 0.000 1.291 418 F HN 0.129 nan 8.300 nan 0.000 0.496 419 H N 5.254 124.349 119.070 0.041 0.000 2.685 419 H HA 0.246 4.798 4.556 -0.005 0.000 0.286 419 H C 0.107 175.391 175.328 -0.074 0.000 1.102 419 H CA -0.104 55.933 56.048 -0.018 0.000 1.254 419 H CB 1.323 30.996 29.762 -0.148 0.000 1.397 419 H HN 0.707 nan 8.280 nan 0.000 0.473 420 M N 3.840 123.424 119.600 -0.027 0.000 2.637 420 M HA 0.045 4.522 4.480 -0.005 0.000 0.286 420 M C 0.061 176.295 176.300 -0.110 0.000 1.246 420 M CA 0.080 55.341 55.300 -0.067 0.000 0.978 420 M CB 0.020 32.632 32.600 0.020 0.000 1.417 420 M HN 0.239 nan 8.290 nan 0.000 0.487 421 N N -0.291 118.342 118.700 -0.111 0.000 2.497 421 N HA 0.236 4.973 4.740 -0.005 0.000 0.284 421 N C -0.054 175.361 175.510 -0.158 0.000 1.459 421 N CA -0.008 53.045 53.050 0.005 0.000 0.899 421 N CB 0.966 39.554 38.487 0.168 0.000 1.316 421 N HN 0.225 nan 8.380 nan 0.000 0.500 422 V N -1.387 118.178 119.914 -0.581 0.000 3.274 422 V HA -0.111 4.006 4.120 -0.005 0.000 0.323 422 V C 0.632 176.386 176.094 -0.566 0.000 2.208 422 V CA 0.463 62.368 62.300 -0.659 0.000 2.270 422 V CB -1.065 30.625 31.823 -0.222 0.000 0.961 422 V HN 0.298 nan 8.190 nan 0.000 0.699 423 N N 0.482 118.935 118.700 -0.412 0.000 2.109 423 N HA -0.054 4.683 4.740 -0.005 0.000 0.188 423 N C 1.536 176.868 175.510 -0.296 0.000 1.034 423 N CA 1.895 54.756 53.050 -0.314 0.000 0.846 423 N CB -0.016 38.324 38.487 -0.246 0.000 1.010 423 N HN 0.504 nan 8.380 nan 0.000 0.425 424 L N 2.201 123.287 121.223 -0.229 0.000 2.083 424 L HA -0.147 4.190 4.340 -0.005 0.000 0.209 424 L C 2.149 178.887 176.870 -0.220 0.000 1.083 424 L CA 1.584 56.338 54.840 -0.142 0.000 0.752 424 L CB -0.620 41.402 42.059 -0.062 0.000 0.899 424 L HN 0.020 nan 8.230 nan 0.000 0.433 425 Q N -1.069 118.463 119.800 -0.446 0.000 2.061 425 Q HA -0.274 4.062 4.340 -0.005 0.000 0.204 425 Q C 2.325 177.775 176.000 -0.916 0.000 0.984 425 Q CA 2.582 58.055 55.803 -0.549 0.000 0.846 425 Q CB -0.493 27.742 28.738 -0.838 0.000 0.902 425 Q HN 0.571 nan 8.270 nan 0.000 0.421 426 M N 0.225 119.100 119.600 -1.208 0.000 2.159 426 M HA -0.205 4.272 4.480 -0.005 0.000 0.263 426 M C 0.919 176.893 176.300 -0.544 0.000 1.063 426 M CA 1.392 55.866 55.300 -1.376 0.000 1.110 426 M CB -0.014 32.052 32.600 -0.890 0.000 1.374 426 M HN 0.168 nan 8.290 nan 0.000 0.411 427 N N -0.231 118.234 118.700 -0.392 0.000 2.272 427 N HA -0.168 4.568 4.740 -0.005 0.000 0.185 427 N C 0.210 175.107 175.510 -1.020 0.000 1.014 427 N CA 1.344 54.045 53.050 -0.583 0.000 0.870 427 N CB -0.314 37.865 38.487 -0.514 0.000 0.975 427 N HN 0.524 nan 8.380 nan 0.000 0.433 428 Y N -1.854 118.225 120.300 -0.368 0.000 2.720 428 Y HA 0.185 4.732 4.550 -0.005 0.000 0.277 428 Y C 0.581 176.514 175.900 0.055 0.000 1.144 428 Y CA -0.859 57.097 58.100 -0.240 0.000 1.221 428 Y CB -0.061 38.283 38.460 -0.193 0.000 1.163 428 Y HN 0.021 nan 8.280 nan 0.000 0.537 429 W N 1.089 122.418 121.300 0.048 0.000 2.494 429 W HA 0.094 4.751 4.660 -0.005 0.000 0.286 429 W C -0.735 175.855 176.519 0.117 0.000 1.218 429 W CA 0.301 57.754 57.345 0.179 0.000 1.313 429 W CB -1.676 27.978 29.460 0.323 0.000 1.105 429 W HN 0.093 nan 8.180 nan 0.000 0.561 430 P HA 0.076 nan 4.420 nan 0.000 0.255 430 P C 1.150 178.414 177.300 -0.060 0.000 1.248 430 P CA 1.024 64.198 63.100 0.124 0.000 0.807 430 P CB 0.066 31.840 31.700 0.122 0.000 1.150 431 T N -0.768 113.649 114.554 -0.229 0.000 2.788 431 T HA -0.149 4.197 4.350 -0.005 0.000 0.268 431 T C 1.355 175.767 174.700 -0.479 0.000 1.044 431 T CA 1.667 63.509 62.100 -0.430 0.000 1.139 431 T CB -0.726 67.781 68.868 -0.602 0.000 0.867 431 T HN 0.148 nan 8.240 nan 0.000 0.454 432 Y N 1.525 121.680 120.300 -0.241 0.000 2.301 432 Y HA 0.084 4.631 4.550 -0.005 0.000 0.295 432 Y C 3.015 178.626 175.900 -0.481 0.000 1.126 432 Y CA 0.547 58.337 58.100 -0.516 0.000 1.154 432 Y CB -0.860 36.911 38.460 -1.149 0.000 1.075 432 Y HN 0.226 nan 8.280 nan 0.000 0.534 433 S N 0.449 116.001 115.700 -0.246 0.000 2.399 433 S HA -0.089 4.378 4.470 -0.005 0.000 0.231 433 S C 1.822 176.485 174.600 0.105 0.000 1.022 433 S CA 0.795 59.020 58.200 0.041 0.000 0.983 433 S CB -0.665 62.651 63.200 0.192 0.000 0.803 433 S HN 0.301 nan 8.310 nan 0.000 0.480 434 A N 1.191 124.048 122.820 0.063 0.000 2.411 434 A HA 0.380 4.697 4.320 -0.005 0.000 0.251 434 A C 0.736 178.340 177.584 0.033 0.000 1.317 434 A CA -0.095 51.992 52.037 0.084 0.000 0.904 434 A CB -0.825 18.206 19.000 0.052 0.000 0.993 434 A HN 0.480 nan 8.150 nan 0.000 0.504 435 N N -0.826 117.890 118.700 0.027 0.000 2.756 435 N HA -0.147 4.590 4.740 -0.005 0.000 0.248 435 N C -0.037 175.473 175.510 -0.000 0.000 1.062 435 N CA 1.172 54.242 53.050 0.032 0.000 0.696 435 N CB -1.393 37.127 38.487 0.054 0.000 0.946 435 N HN 0.626 nan 8.380 nan 0.000 0.548 436 M N -1.330 118.247 119.600 -0.038 0.000 3.002 436 M HA 0.249 4.726 4.480 -0.005 0.000 0.398 436 M C 1.662 177.921 176.300 -0.068 0.000 1.366 436 M CA 0.053 55.320 55.300 -0.055 0.000 0.824 436 M CB 0.603 33.151 32.600 -0.087 0.000 1.414 436 M HN 0.173 nan 8.290 nan 0.000 0.501 437 G N 1.512 110.312 108.800 -0.000 0.000 2.442 437 G HA2 -0.228 3.729 3.960 -0.005 0.000 0.219 437 G HA3 -0.228 3.729 3.960 -0.005 0.000 0.219 437 G C 1.391 176.342 174.900 0.085 0.000 1.141 437 G CA 1.206 46.362 45.100 0.094 0.000 0.763 437 G HN 0.652 nan 8.290 nan 0.000 0.554 438 E N 0.949 121.184 120.200 0.057 0.000 2.265 438 E HA -0.093 4.253 4.350 -0.005 0.000 0.196 438 E C 2.189 178.810 176.600 0.035 0.000 0.996 438 E CA 0.576 57.009 56.400 0.054 0.000 0.832 438 E CB -0.507 29.219 29.700 0.044 0.000 0.756 438 E HN 0.498 nan 8.360 nan 0.000 0.491 439 L N 0.466 121.693 121.223 0.007 0.000 2.610 439 L HA 0.129 4.466 4.340 -0.005 0.000 0.232 439 L C 2.362 179.262 176.870 0.051 0.000 1.149 439 L CA 0.498 55.343 54.840 0.010 0.000 0.872 439 L CB -0.331 41.712 42.059 -0.025 0.000 0.992 439 L HN 0.123 nan 8.230 nan 0.000 0.447 440 A N -0.000 122.829 122.820 0.015 0.000 2.167 440 A HA -0.138 4.179 4.320 -0.005 0.000 0.214 440 A C 2.113 179.664 177.584 -0.054 0.000 1.151 440 A CA 0.840 52.868 52.037 -0.014 0.000 0.735 440 A CB -0.143 18.863 19.000 0.009 0.000 0.802 440 A HN 0.326 nan 8.150 nan 0.000 0.467 441 E N 1.357 121.559 120.200 0.003 0.000 2.086 441 E HA -0.171 4.176 4.350 -0.005 0.000 0.200 441 E C -0.597 175.978 176.600 -0.042 0.000 1.012 441 E CA 2.399 58.797 56.400 -0.003 0.000 0.812 441 E CB -0.931 28.781 29.700 0.020 0.000 0.743 441 E HN 0.478 nan 8.360 nan 0.000 0.453 442 P HA -0.137 nan 4.420 nan 0.000 0.220 442 P C 1.629 178.840 177.300 -0.148 0.000 1.148 442 P CA 0.894 63.955 63.100 -0.065 0.000 0.803 442 P CB -0.048 31.631 31.700 -0.035 0.000 0.782 443 L N -0.197 120.832 121.223 -0.323 0.000 2.056 443 L HA -0.091 4.245 4.340 -0.005 0.000 0.207 443 L C 2.507 179.267 176.870 -0.183 0.000 1.078 443 L CA 1.590 56.169 54.840 -0.435 0.000 0.749 443 L CB -1.167 40.315 42.059 -0.962 0.000 0.901 443 L HN -0.205 nan 8.230 nan 0.000 0.433 444 I N -0.557 119.936 120.570 -0.128 0.000 2.179 444 I HA -0.306 3.861 4.170 -0.005 0.000 0.242 444 I C 2.520 178.606 176.117 -0.051 0.000 1.088 444 I CA 1.777 63.045 61.300 -0.053 0.000 1.357 444 I CB -0.537 37.456 38.000 -0.012 0.000 1.051 444 I HN 0.414 nan 8.210 nan 0.000 0.409 445 E N 0.472 120.645 120.200 -0.044 0.000 2.110 445 E HA -0.288 4.059 4.350 -0.005 0.000 0.193 445 E C 2.255 178.822 176.600 -0.055 0.000 0.988 445 E CA 1.319 57.693 56.400 -0.043 0.000 0.804 445 E CB -0.153 29.535 29.700 -0.020 0.000 0.745 445 E HN 0.500 nan 8.360 nan 0.000 0.458 446 Y N 0.424 120.613 120.300 -0.184 0.000 2.181 446 Y HA -0.211 4.335 4.550 -0.005 0.000 0.288 446 Y C 2.036 177.817 175.900 -0.199 0.000 1.146 446 Y CA 1.525 59.484 58.100 -0.234 0.000 1.164 446 Y CB -0.165 38.079 38.460 -0.359 0.000 0.982 446 Y HN -0.091 nan 8.280 nan 0.000 0.515 447 V N 0.381 120.235 119.914 -0.099 0.000 2.358 447 V HA -0.259 3.858 4.120 -0.005 0.000 0.246 447 V C 2.059 178.015 176.094 -0.230 0.000 1.047 447 V CA 2.147 64.367 62.300 -0.133 0.000 1.035 447 V CB -0.599 31.212 31.823 -0.021 0.000 0.658 447 V HN 0.389 nan 8.190 nan 0.000 0.452 448 E N 0.593 120.673 120.200 -0.201 0.000 2.118 448 E HA -0.193 4.154 4.350 -0.005 0.000 0.195 448 E C 2.274 178.701 176.600 -0.288 0.000 0.992 448 E CA 1.303 57.557 56.400 -0.245 0.000 0.804 448 E CB -0.480 29.124 29.700 -0.160 0.000 0.741 448 E HN 0.651 nan 8.360 nan 0.000 0.458 449 G N 0.763 109.397 108.800 -0.276 0.000 2.509 449 G HA2 -0.186 3.770 3.960 -0.005 0.000 0.218 449 G HA3 -0.186 3.770 3.960 -0.005 0.000 0.218 449 G C 1.424 176.135 174.900 -0.316 0.000 1.124 449 G CA 0.233 45.170 45.100 -0.272 0.000 0.776 449 G HN 0.117 nan 8.290 nan 0.000 0.547 450 L N 0.351 121.340 121.223 -0.389 0.000 2.478 450 L HA 0.038 4.375 4.340 -0.005 0.000 0.223 450 L C 2.657 179.340 176.870 -0.312 0.000 1.140 450 L CA -0.194 54.459 54.840 -0.311 0.000 0.842 450 L CB -0.077 41.843 42.059 -0.233 0.000 0.953 450 L HN 0.059 nan 8.230 nan 0.000 0.452 451 V N 0.120 119.747 119.914 -0.478 0.000 2.270 451 V HA -0.269 3.847 4.120 -0.005 0.000 0.245 451 V C 2.465 178.333 176.094 -0.377 0.000 1.043 451 V CA 1.738 63.679 62.300 -0.597 0.000 1.014 451 V CB -0.444 30.939 31.823 -0.732 0.000 0.645 451 V HN 0.407 nan 8.190 nan 0.000 0.447 452 K N 0.309 120.472 120.400 -0.395 0.000 1.991 452 K HA -0.132 4.184 4.320 -0.005 0.000 0.212 452 K C 0.056 176.225 176.600 -0.719 0.000 1.049 452 K CA 1.984 57.955 56.287 -0.528 0.000 0.932 452 K CB -1.468 30.690 32.500 -0.570 0.000 0.717 452 K HN 0.460 nan 8.250 nan 0.000 0.441 453 P HA -0.135 nan 4.420 nan 0.000 0.218 453 P C 1.380 178.551 177.300 -0.216 0.000 1.149 453 P CA 1.705 64.553 63.100 -0.419 0.000 0.817 453 P CB -0.186 31.477 31.700 -0.062 0.000 0.785 454 G N 0.191 108.880 108.800 -0.185 0.000 2.471 454 G HA2 -0.199 3.758 3.960 -0.005 0.000 0.219 454 G HA3 -0.199 3.758 3.960 -0.005 0.000 0.219 454 G C 1.789 176.600 174.900 -0.148 0.000 1.125 454 G CA 0.165 45.196 45.100 -0.115 0.000 0.775 454 G HN 0.237 nan 8.290 nan 0.000 0.548 455 R N -0.306 120.091 120.500 -0.173 0.000 2.115 455 R HA 0.011 4.348 4.340 -0.005 0.000 0.230 455 R C 2.589 178.804 176.300 -0.142 0.000 1.111 455 R CA 0.867 56.863 56.100 -0.174 0.000 0.976 455 R CB -0.263 29.940 30.300 -0.160 0.000 0.870 455 R HN 0.312 nan 8.270 nan 0.000 0.445 456 V N 0.268 120.109 119.914 -0.122 0.000 2.307 456 V HA -0.238 3.879 4.120 -0.005 0.000 0.245 456 V C 2.085 178.162 176.094 -0.029 0.000 1.045 456 V CA 2.223 64.486 62.300 -0.062 0.000 1.024 456 V CB -0.616 31.191 31.823 -0.027 0.000 0.651 456 V HN 0.368 nan 8.190 nan 0.000 0.449 457 T N 0.617 115.165 114.554 -0.010 0.000 2.746 457 T HA -0.169 4.178 4.350 -0.005 0.000 0.267 457 T C 2.087 176.864 174.700 0.128 0.000 1.039 457 T CA 1.659 63.829 62.100 0.117 0.000 1.142 457 T CB -0.485 68.421 68.868 0.063 0.000 0.866 457 T HN 0.567 nan 8.240 nan 0.000 0.444 458 A N 1.589 124.366 122.820 -0.072 0.000 1.940 458 A HA -0.147 4.170 4.320 -0.005 0.000 0.219 458 A C 2.230 179.788 177.584 -0.043 0.000 1.176 458 A CA 2.027 53.975 52.037 -0.148 0.000 0.631 458 A CB -0.547 18.116 19.000 -0.562 0.000 0.814 458 A HN 0.510 nan 8.150 nan 0.000 0.446 459 K N -0.370 119.987 120.400 -0.072 0.000 2.025 459 K HA -0.081 4.236 4.320 -0.005 0.000 0.207 459 K C 1.821 178.396 176.600 -0.042 0.000 1.049 459 K CA 1.643 57.894 56.287 -0.061 0.000 0.933 459 K CB -0.275 32.188 32.500 -0.061 0.000 0.714 459 K HN 0.211 nan 8.250 nan 0.000 0.438 460 V N 0.404 120.281 119.914 -0.062 0.000 2.358 460 V HA -0.222 3.895 4.120 -0.005 0.000 0.246 460 V C 1.760 177.693 176.094 -0.268 0.000 1.047 460 V CA 1.687 63.858 62.300 -0.215 0.000 1.035 460 V CB -0.494 31.116 31.823 -0.355 0.000 0.658 460 V HN 0.334 nan 8.190 nan 0.000 0.452 461 Y N -0.874 119.481 120.300 0.092 0.000 2.509 461 Y HA 0.461 5.008 4.550 -0.005 0.000 0.270 461 Y C 1.981 177.999 175.900 0.198 0.000 1.103 461 Y CA 0.733 58.945 58.100 0.186 0.000 1.278 461 Y CB 0.118 38.780 38.460 0.337 0.000 1.087 461 Y HN 0.186 nan 8.280 nan 0.000 0.542 462 A N -1.113 121.872 122.820 0.275 0.000 2.551 462 A HA 0.526 4.843 4.320 -0.005 0.000 0.252 462 A C 1.689 179.343 177.584 0.116 0.000 1.199 462 A CA 0.442 52.608 52.037 0.215 0.000 0.972 462 A CB -0.367 18.806 19.000 0.289 0.000 1.153 462 A HN 0.414 nan 8.150 nan 0.000 0.559 463 G N -0.803 108.029 108.800 0.054 0.000 2.160 463 G HA2 0.078 4.034 3.960 -0.005 0.000 0.251 463 G HA3 0.078 4.034 3.960 -0.005 0.000 0.251 463 G C 0.381 175.249 174.900 -0.055 0.000 1.008 463 G CA 0.335 45.456 45.100 0.035 0.000 0.724 463 G HN 1.726 nan 8.290 nan 0.000 0.514 464 A N 0.298 122.943 122.820 -0.291 0.000 2.478 464 A HA 0.669 4.986 4.320 -0.005 0.000 0.327 464 A C 0.223 177.671 177.584 -0.226 0.000 1.431 464 A CA 0.245 51.907 52.037 -0.625 0.000 1.014 464 A CB 0.350 18.768 19.000 -0.970 0.000 1.143 464 A HN 0.595 nan 8.150 nan 0.000 0.532 465 E N 2.449 122.604 120.200 -0.075 0.000 2.146 465 E HA 0.342 4.688 4.350 -0.005 0.000 0.282 465 E C -0.685 175.915 176.600 0.000 0.000 0.989 465 E CA -0.321 56.061 56.400 -0.031 0.000 0.799 465 E CB 0.737 30.437 29.700 0.000 0.000 1.088 465 E HN 0.450 nan 8.360 nan 0.000 0.397 466 T N 4.055 118.595 114.554 -0.024 0.000 2.749 466 T HA 0.144 4.491 4.350 -0.005 0.000 0.295 466 T C -0.007 174.690 174.700 -0.006 0.000 0.936 466 T CA -0.483 61.610 62.100 -0.010 0.000 1.060 466 T CB 0.758 69.605 68.868 -0.036 0.000 0.904 466 T HN 0.586 nan 8.240 nan 0.000 0.500 467 T N 1.915 116.474 114.554 0.007 0.000 2.913 467 T HA 0.202 4.549 4.350 -0.005 0.000 0.297 467 T C 0.507 175.207 174.700 -0.001 0.000 1.029 467 T CA -0.988 61.116 62.100 0.007 0.000 1.104 467 T CB 0.212 69.089 68.868 0.014 0.000 0.964 467 T HN 0.633 nan 8.240 nan 0.000 0.532 468 N N 1.794 120.494 118.700 0.000 0.000 2.705 468 N HA -0.112 4.625 4.740 -0.005 0.000 0.255 468 N C -1.815 173.690 175.510 -0.009 0.000 1.008 468 N CA 0.622 53.671 53.050 -0.002 0.000 0.742 468 N CB -0.886 37.600 38.487 -0.003 0.000 0.906 468 N HN 0.616 nan 8.380 nan 0.000 0.541 469 P HA -0.141 nan 4.420 nan 0.000 0.220 469 P C 1.285 178.567 177.300 -0.029 0.000 1.148 469 P CA 1.238 64.320 63.100 -0.029 0.000 0.803 469 P CB 0.411 32.092 31.700 -0.033 0.000 0.782 470 E N 0.722 120.921 120.200 -0.001 0.000 2.072 470 E HA -0.118 4.229 4.350 -0.005 0.000 0.191 470 E C 1.844 178.435 176.600 -0.015 0.000 0.985 470 E CA 2.125 58.529 56.400 0.007 0.000 0.801 470 E CB -1.073 28.642 29.700 0.026 0.000 0.750 470 E HN 0.286 nan 8.360 nan 0.000 0.452 471 T N -3.281 111.263 114.554 -0.015 0.000 3.044 471 T HA 0.137 4.483 4.350 -0.005 0.000 0.250 471 T C 0.693 175.378 174.700 -0.025 0.000 1.081 471 T CA 0.080 62.168 62.100 -0.019 0.000 1.040 471 T CB -0.241 68.620 68.868 -0.012 0.000 0.962 471 T HN -0.105 nan 8.240 nan 0.000 0.506 472 T N 5.051 119.587 114.554 -0.030 0.000 2.751 472 T HA 0.327 4.674 4.350 -0.005 0.000 0.290 472 T C -2.427 172.245 174.700 -0.047 0.000 0.919 472 T CA -0.820 61.259 62.100 -0.034 0.000 1.136 472 T CB 0.671 69.519 68.868 -0.034 0.000 0.875 472 T HN 0.256 nan 8.240 nan 0.000 0.532 473 P HA 0.150 nan 4.420 nan 0.000 0.269 473 P C 0.267 177.528 177.300 -0.065 0.000 1.215 473 P CA -0.501 62.570 63.100 -0.049 0.000 0.780 473 P CB 0.350 32.032 31.700 -0.030 0.000 0.898 474 I N 1.315 121.831 120.570 -0.090 0.000 2.826 474 I HA 0.008 4.175 4.170 -0.005 0.000 0.295 474 I C 1.705 177.782 176.117 -0.066 0.000 1.213 474 I CA 1.649 62.880 61.300 -0.115 0.000 1.436 474 I CB -0.694 37.212 38.000 -0.155 0.000 1.348 474 I HN 0.777 nan 8.210 nan 0.000 0.570 475 G N 4.451 113.225 108.800 -0.045 0.000 2.284 475 G HA2 -0.192 3.764 3.960 -0.005 0.000 0.216 475 G HA3 -0.192 3.764 3.960 -0.005 0.000 0.216 475 G C 0.698 175.580 174.900 -0.031 0.000 1.009 475 G CA -0.248 44.830 45.100 -0.036 0.000 0.625 475 G HN 0.565 nan 8.290 nan 0.000 0.501 476 E N 1.054 121.231 120.200 -0.038 0.000 2.498 476 E HA 0.304 4.651 4.350 -0.005 0.000 0.203 476 E C 1.475 178.034 176.600 -0.068 0.000 1.013 476 E CA 0.596 56.965 56.400 -0.051 0.000 0.927 476 E CB 0.623 30.304 29.700 -0.033 0.000 1.012 476 E HN 0.621 nan 8.360 nan 0.000 0.482 477 G N 0.831 109.601 108.800 -0.050 0.000 2.557 477 G HA2 0.130 4.087 3.960 -0.005 0.000 0.292 477 G HA3 0.130 4.087 3.960 -0.005 0.000 0.292 477 G C 0.624 175.511 174.900 -0.023 0.000 1.237 477 G CA -0.326 44.754 45.100 -0.034 0.000 0.978 477 G HN -0.151 nan 8.290 nan 0.000 0.498 478 E N -0.488 119.739 120.200 0.045 0.000 2.442 478 E HA 0.221 4.568 4.350 -0.005 0.000 0.195 478 E C 1.088 177.851 176.600 0.271 0.000 1.030 478 E CA 0.885 57.420 56.400 0.224 0.000 0.869 478 E CB 0.510 30.328 29.700 0.196 0.000 0.857 478 E HN 0.838 nan 8.360 nan 0.000 0.505 479 G N 0.801 109.623 108.800 0.035 0.000 2.316 479 G HA2 0.108 4.065 3.960 -0.005 0.000 0.468 479 G HA3 0.108 4.065 3.960 -0.005 0.000 0.468 479 G C -1.573 173.035 174.900 -0.487 0.000 1.523 479 G CA -0.757 44.190 45.100 -0.254 0.000 0.972 479 G HN 0.115 nan 8.290 nan 0.000 0.667 480 Y N -1.000 118.895 120.300 -0.674 0.000 2.425 480 Y HA 0.862 5.409 4.550 -0.006 0.000 0.344 480 Y C -0.113 175.421 175.900 -0.609 0.000 0.969 480 Y CA -1.680 56.090 58.100 -0.549 0.000 1.052 480 Y CB 2.074 40.341 38.460 -0.321 0.000 1.215 480 Y HN 0.738 nan 8.280 nan 0.000 0.451 481 M N 4.057 123.385 119.600 -0.454 0.000 2.393 481 M HA 0.902 5.379 4.480 -0.005 0.000 0.316 481 M C -1.620 174.532 176.300 -0.246 0.000 1.087 481 M CA -0.564 54.512 55.300 -0.373 0.000 0.937 481 M CB 1.878 34.314 32.600 -0.274 0.000 1.668 481 M HN 1.059 nan 8.290 nan 0.000 0.438 482 A N 2.640 125.260 122.820 -0.333 0.000 2.593 482 A HA 0.801 5.118 4.320 -0.005 0.000 0.290 482 A C -1.832 175.439 177.584 -0.521 0.000 1.126 482 A CA -0.579 51.307 52.037 -0.251 0.000 0.695 482 A CB 1.390 20.339 19.000 -0.085 0.000 1.290 482 A HN 1.011 nan 8.150 nan 0.000 0.414 483 H N -1.222 117.763 119.070 -0.141 0.000 4.003 483 H HA 0.556 5.109 4.556 -0.006 0.000 0.368 483 H C 1.211 176.512 175.328 -0.047 0.000 1.587 483 H CA 0.575 56.526 56.048 -0.161 0.000 1.281 483 H CB 0.331 29.938 29.762 -0.258 0.000 1.104 483 H HN 0.530 nan 8.280 nan 0.000 0.776 484 T N 0.159 114.789 114.554 0.125 0.000 2.706 484 T HA -0.002 4.345 4.350 -0.005 0.000 0.255 484 T C -0.060 174.616 174.700 -0.039 0.000 1.048 484 T CA 0.891 63.010 62.100 0.031 0.000 1.153 484 T CB -0.166 68.728 68.868 0.043 0.000 0.865 484 T HN 0.330 nan 8.240 nan 0.000 0.414 485 E N 2.539 122.776 120.200 0.061 0.000 2.129 485 E HA 0.239 4.586 4.350 -0.005 0.000 0.283 485 E C -0.454 176.363 176.600 0.363 0.000 1.080 485 E CA -0.119 56.357 56.400 0.126 0.000 0.867 485 E CB 0.421 30.322 29.700 0.334 0.000 1.056 485 E HN 0.306 nan 8.360 nan 0.000 0.404 486 N N 1.496 120.400 118.700 0.339 0.000 2.381 486 N HA 0.395 5.132 4.740 -0.005 0.000 0.294 486 N C -0.341 175.438 175.510 0.448 0.000 1.216 486 N CA -0.318 52.990 53.050 0.429 0.000 0.803 486 N CB 2.260 40.982 38.487 0.391 0.000 1.372 486 N HN 0.491 nan 8.380 nan 0.000 0.500 487 T N -3.766 110.989 114.554 0.335 0.000 2.654 487 T HA 0.550 4.896 4.350 -0.005 0.000 0.289 487 T C 0.610 175.079 174.700 -0.385 0.000 1.062 487 T CA -0.459 61.565 62.100 -0.126 0.000 1.041 487 T CB 0.828 69.619 68.868 -0.127 0.000 1.417 487 T HN 0.321 nan 8.240 nan 0.000 0.510 488 A N -0.666 121.391 122.820 -1.273 0.000 2.206 488 A HA 0.262 4.579 4.320 -0.005 0.000 0.211 488 A C 0.448 177.511 177.584 -0.868 0.000 1.158 488 A CA 0.537 51.885 52.037 -1.148 0.000 0.761 488 A CB -0.887 16.968 19.000 -1.909 0.000 0.801 488 A HN 0.734 nan 8.150 nan 0.000 0.473 489 Y N -0.965 119.097 120.300 -0.398 0.000 2.698 489 Y HA 0.431 4.977 4.550 -0.006 0.000 0.261 489 Y C 1.324 177.055 175.900 -0.281 0.000 1.104 489 Y CA -0.795 56.853 58.100 -0.754 0.000 1.145 489 Y CB -0.081 38.051 38.460 -0.547 0.000 1.191 489 Y HN 0.299 nan 8.280 nan 0.000 0.564 490 G N 0.240 109.072 108.800 0.053 0.000 2.295 490 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.287 490 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.287 490 G C 0.117 175.217 174.900 0.333 0.000 1.055 490 G CA -0.014 45.224 45.100 0.230 0.000 0.922 490 G HN 0.657 nan 8.290 nan 0.000 0.503 491 W N 2.065 123.457 121.300 0.153 0.000 1.606 491 W HA 0.349 5.007 4.660 -0.005 0.000 0.455 491 W C 1.136 177.724 176.519 0.116 0.000 0.711 491 W CA 0.315 57.764 57.345 0.173 0.000 1.876 491 W CB -0.223 29.372 29.460 0.225 0.000 1.776 491 W HN 0.392 nan 8.180 nan 0.000 0.229 492 T N 0.175 114.727 114.554 -0.004 0.000 3.060 492 T HA 0.271 4.618 4.350 -0.005 0.000 0.249 492 T C 1.050 175.700 174.700 -0.083 0.000 1.079 492 T CA 0.018 62.103 62.100 -0.025 0.000 1.013 492 T CB 0.221 69.072 68.868 -0.029 0.000 0.975 492 T HN 0.238 nan 8.240 nan 0.000 0.518 493 A N 3.515 126.161 122.820 -0.290 0.000 2.448 493 A HA 0.511 4.827 4.320 -0.005 0.000 0.239 493 A C -1.987 175.349 177.584 -0.412 0.000 1.080 493 A CA -1.239 50.591 52.037 -0.345 0.000 0.779 493 A CB -0.159 18.561 19.000 -0.466 0.000 1.026 493 A HN 0.329 nan 8.150 nan 0.000 0.499 494 P HA 0.245 nan 4.420 nan 0.000 0.274 494 P C 0.449 177.545 177.300 -0.341 0.000 1.246 494 P CA 0.196 62.821 63.100 -0.792 0.000 0.795 494 P CB 0.523 31.631 31.700 -0.987 0.000 1.006 495 G N 0.529 109.210 108.800 -0.198 0.000 0.000 495 G HA2 0.029 3.986 3.960 -0.005 0.000 0.000 495 G HA3 0.029 3.986 3.960 -0.005 0.000 0.000 495 G C 0.705 175.469 174.900 -0.226 0.000 0.000 495 G CA -0.327 44.745 45.100 -0.047 0.000 0.000 495 G HN 0.499 nan 8.290 nan 0.000 0.000 496 Q N -1.259 118.471 119.800 -0.117 0.000 2.369 496 Q HA 0.046 4.382 4.340 -0.005 0.000 0.206 496 Q C 0.802 176.679 176.000 -0.206 0.000 0.963 496 Q CA 0.653 56.434 55.803 -0.037 0.000 0.894 496 Q CB 0.229 29.090 28.738 0.206 0.000 0.965 496 Q HN 0.274 nan 8.270 nan 0.000 0.475 497 S N -1.198 114.108 115.700 -0.658 0.000 2.557 497 S HA 0.234 4.701 4.470 -0.005 0.000 0.291 497 S C -0.073 174.107 174.600 -0.700 0.000 1.116 497 S CA -0.765 57.100 58.200 -0.560 0.000 0.992 497 S CB 0.721 63.678 63.200 -0.405 0.000 1.028 497 S HN 0.271 nan 8.310 nan 0.000 0.484 498 F N 4.519 124.204 119.950 -0.441 0.000 2.095 498 F HA -0.132 4.391 4.527 -0.005 0.000 0.298 498 F C 2.599 178.232 175.800 -0.278 0.000 1.104 498 F CA 2.639 60.453 58.000 -0.311 0.000 1.232 498 F CB -0.445 38.391 39.000 -0.273 0.000 0.987 498 F HN 0.744 nan 8.300 nan 0.000 0.475 499 S N 1.009 116.600 115.700 -0.181 0.000 2.374 499 S HA -0.274 4.193 4.470 -0.005 0.000 0.227 499 S C 1.955 176.582 174.600 0.044 0.000 1.037 499 S CA 1.567 59.626 58.200 -0.236 0.000 1.024 499 S CB -1.491 61.593 63.200 -0.193 0.000 0.861 499 S HN 0.759 nan 8.310 nan 0.000 0.456 500 W N 0.751 122.108 121.300 0.093 0.000 3.107 500 W HA 0.557 5.214 4.660 -0.004 0.000 0.293 500 W C 1.679 178.257 176.519 0.098 0.000 1.239 500 W CA 0.088 57.518 57.345 0.141 0.000 1.653 500 W CB -0.494 29.077 29.460 0.186 0.000 1.068 500 W HN 0.397 nan 8.180 nan 0.000 0.615 501 G N 0.237 108.825 108.800 -0.354 0.000 2.656 501 G HA2 -0.092 3.865 3.960 -0.005 0.000 0.211 501 G HA3 -0.092 3.865 3.960 -0.005 0.000 0.211 501 G C 0.006 174.789 174.900 -0.196 0.000 1.137 501 G CA -0.104 44.806 45.100 -0.317 0.000 0.802 501 G HN 0.200 nan 8.290 nan 0.000 0.527 502 W N 2.562 123.557 121.300 -0.509 0.000 2.376 502 W HA 0.549 5.206 4.660 -0.006 0.000 0.312 502 W C -0.631 175.809 176.519 -0.131 0.000 1.060 502 W CA -0.654 56.390 57.345 -0.503 0.000 1.221 502 W CB 1.475 30.278 29.460 -1.094 0.000 1.281 502 W HN 0.115 nan 8.180 nan 0.000 0.456 503 S N 5.561 121.202 115.700 -0.097 0.000 2.849 503 S HA 0.156 4.623 4.470 -0.005 0.000 0.141 503 S C -2.121 172.316 174.600 -0.271 0.000 1.109 503 S CA -0.777 57.393 58.200 -0.051 0.000 1.106 503 S CB 1.032 64.322 63.200 0.150 0.000 1.637 503 S HN 0.381 nan 8.310 nan 0.000 0.457 504 P HA 0.078 nan 4.420 nan 0.000 0.226 504 P C 1.407 178.622 177.300 -0.141 0.000 1.153 504 P CA 1.006 63.746 63.100 -0.600 0.000 0.777 504 P CB -0.087 31.294 31.700 -0.530 0.000 0.794 505 A N 0.333 123.125 122.820 -0.045 0.000 2.209 505 A HA 0.144 4.461 4.320 -0.005 0.000 0.212 505 A C 2.318 179.916 177.584 0.025 0.000 1.158 505 A CA 1.109 53.097 52.037 -0.081 0.000 0.742 505 A CB -1.161 17.669 19.000 -0.284 0.000 0.790 505 A HN 0.206 nan 8.150 nan 0.000 0.472 506 A N -0.324 122.542 122.820 0.076 0.000 1.940 506 A HA -0.064 4.253 4.320 -0.005 0.000 0.219 506 A C 2.163 179.807 177.584 0.100 0.000 1.176 506 A CA 1.952 54.080 52.037 0.152 0.000 0.631 506 A CB -0.710 18.325 19.000 0.059 0.000 0.814 506 A HN 0.373 nan 8.150 nan 0.000 0.446 507 V N 0.194 120.113 119.914 0.010 0.000 2.283 507 V HA -0.130 3.987 4.120 -0.005 0.000 0.243 507 V C -0.043 176.066 176.094 0.024 0.000 1.039 507 V CA 2.237 64.543 62.300 0.009 0.000 1.016 507 V CB -1.581 30.201 31.823 -0.068 0.000 0.650 507 V HN 0.327 nan 8.190 nan 0.000 0.449 508 P HA -0.235 nan 4.420 nan 0.000 0.217 508 P C 1.414 178.768 177.300 0.090 0.000 1.158 508 P CA 1.934 64.983 63.100 -0.085 0.000 0.887 508 P CB -0.182 31.349 31.700 -0.282 0.000 0.792 509 W N 0.169 121.430 121.300 -0.064 0.000 2.354 509 W HA -0.134 4.523 4.660 -0.005 0.000 0.315 509 W C 2.093 178.652 176.519 0.068 0.000 1.206 509 W CA 0.749 58.105 57.345 0.018 0.000 1.290 509 W CB -1.361 28.135 29.460 0.060 0.000 1.152 509 W HN -0.155 nan 8.180 nan 0.000 0.489 510 I N 0.584 121.275 120.570 0.201 0.000 2.454 510 I HA -0.253 3.914 4.170 -0.005 0.000 0.254 510 I C 2.364 178.559 176.117 0.129 0.000 1.156 510 I CA 1.355 62.702 61.300 0.078 0.000 1.433 510 I CB -0.682 37.330 38.000 0.020 0.000 1.082 510 I HN -0.104 nan 8.210 nan 0.000 0.432 511 L N -0.463 120.843 121.223 0.138 0.000 2.191 511 L HA -0.247 4.090 4.340 -0.005 0.000 0.212 511 L C 2.448 179.423 176.870 0.176 0.000 1.103 511 L CA 1.088 56.006 54.840 0.130 0.000 0.769 511 L CB -0.625 41.479 42.059 0.076 0.000 0.908 511 L HN 0.350 nan 8.230 nan 0.000 0.438 512 Q N -0.181 119.751 119.800 0.220 0.000 2.050 512 Q HA -0.199 4.138 4.340 -0.005 0.000 0.202 512 Q C 1.975 178.151 176.000 0.294 0.000 0.980 512 Q CA 1.507 57.467 55.803 0.261 0.000 0.840 512 Q CB -0.207 28.718 28.738 0.312 0.000 0.898 512 Q HN 0.613 nan 8.270 nan 0.000 0.424 513 N N 0.091 118.972 118.700 0.301 0.000 2.149 513 N HA -0.139 4.597 4.740 -0.005 0.000 0.188 513 N C 1.929 177.610 175.510 0.286 0.000 1.019 513 N CA 1.297 54.548 53.050 0.336 0.000 0.857 513 N CB -0.035 38.607 38.487 0.258 0.000 0.997 513 N HN 0.067 nan 8.380 nan 0.000 0.426 514 V N 0.809 120.841 119.914 0.196 0.000 2.307 514 V HA -0.233 3.883 4.120 -0.005 0.000 0.245 514 V C 2.070 178.259 176.094 0.157 0.000 1.045 514 V CA 1.402 63.794 62.300 0.154 0.000 1.024 514 V CB -0.762 31.130 31.823 0.114 0.000 0.651 514 V HN 0.264 nan 8.190 nan 0.000 0.449 515 Y N 1.244 121.593 120.300 0.081 0.000 2.274 515 Y HA -0.202 4.344 4.550 -0.006 0.000 0.290 515 Y C 2.516 178.445 175.900 0.048 0.000 1.145 515 Y CA 1.722 59.869 58.100 0.078 0.000 1.203 515 Y CB -0.193 38.306 38.460 0.064 0.000 0.984 515 Y HN 0.372 nan 8.280 nan 0.000 0.533 516 E N -0.209 119.961 120.200 -0.049 0.000 2.209 516 E HA -0.239 4.108 4.350 -0.005 0.000 0.196 516 E C 2.328 178.515 176.600 -0.689 0.000 0.993 516 E CA 0.808 57.050 56.400 -0.264 0.000 0.819 516 E CB -0.280 29.375 29.700 -0.075 0.000 0.745 516 E HN 0.599 nan 8.360 nan 0.000 0.477 517 A N 0.863 123.328 122.820 -0.592 0.000 1.940 517 A HA -0.226 4.090 4.320 -0.005 0.000 0.219 517 A C 1.994 179.461 177.584 -0.195 0.000 1.176 517 A CA 1.400 53.212 52.037 -0.375 0.000 0.631 517 A CB -0.610 18.422 19.000 0.053 0.000 0.814 517 A HN 0.379 nan 8.150 nan 0.000 0.446 518 Y N 0.482 120.571 120.300 -0.351 0.000 2.206 518 Y HA -0.071 4.475 4.550 -0.006 0.000 0.292 518 Y C 2.215 177.892 175.900 -0.372 0.000 1.123 518 Y CA 1.751 59.643 58.100 -0.347 0.000 1.142 518 Y CB -0.387 37.822 38.460 -0.418 0.000 1.006 518 Y HN 0.463 nan 8.280 nan 0.000 0.518 519 E N -0.898 118.920 120.200 -0.636 0.000 2.070 519 E HA -0.292 4.055 4.350 -0.005 0.000 0.197 519 E C 1.735 178.050 176.600 -0.476 0.000 1.004 519 E CA 2.006 58.069 56.400 -0.562 0.000 0.805 519 E CB -0.431 29.013 29.700 -0.427 0.000 0.744 519 E HN 0.587 nan 8.360 nan 0.000 0.451 520 Y N -0.385 119.685 120.300 -0.383 0.000 2.544 520 Y HA -0.051 4.496 4.550 -0.005 0.000 0.286 520 Y C 2.459 178.241 175.900 -0.196 0.000 1.141 520 Y CA 0.916 58.882 58.100 -0.223 0.000 1.299 520 Y CB 0.467 38.837 38.460 -0.150 0.000 1.030 520 Y HN 0.088 nan 8.280 nan 0.000 0.543 521 S N -2.486 113.127 115.700 -0.145 0.000 2.599 521 S HA 0.285 4.751 4.470 -0.005 0.000 0.236 521 S C 1.831 176.300 174.600 -0.218 0.000 1.077 521 S CA 0.405 58.534 58.200 -0.118 0.000 0.906 521 S CB 0.104 63.281 63.200 -0.037 0.000 0.804 521 S HN 0.387 nan 8.310 nan 0.000 0.497 522 G N 2.067 110.587 108.800 -0.466 0.000 2.179 522 G HA2 -0.241 3.716 3.960 -0.005 0.000 0.257 522 G HA3 -0.241 3.716 3.960 -0.005 0.000 0.257 522 G C -0.303 174.580 174.900 -0.028 0.000 1.010 522 G CA 0.368 45.195 45.100 -0.455 0.000 0.736 522 G HN 0.694 nan 8.290 nan 0.000 0.513 523 D N 0.462 120.909 120.400 0.077 0.000 2.339 523 D HA 0.311 4.948 4.640 -0.005 0.000 0.256 523 D C -0.011 176.437 176.300 0.247 0.000 1.214 523 D CA -1.855 52.233 54.000 0.147 0.000 0.877 523 D CB 1.295 42.157 40.800 0.103 0.000 1.111 523 D HN 0.191 nan 8.370 nan 0.000 0.478 524 P HA -0.105 nan 4.420 nan 0.000 0.220 524 P C 0.953 178.274 177.300 0.035 0.000 1.148 524 P CA 0.711 63.864 63.100 0.087 0.000 0.803 524 P CB 0.247 31.980 31.700 0.055 0.000 0.782 525 A N 0.172 123.022 122.820 0.049 0.000 1.930 525 A HA -0.091 4.226 4.320 -0.005 0.000 0.217 525 A C 2.389 179.994 177.584 0.036 0.000 1.175 525 A CA 1.111 53.168 52.037 0.034 0.000 0.627 525 A CB -1.507 17.515 19.000 0.036 0.000 0.815 525 A HN 0.124 nan 8.150 nan 0.000 0.443 526 L N -0.989 120.274 121.223 0.066 0.000 2.093 526 L HA -0.138 4.199 4.340 -0.005 0.000 0.208 526 L C 2.509 179.383 176.870 0.008 0.000 1.085 526 L CA 0.920 55.803 54.840 0.072 0.000 0.755 526 L CB -0.493 41.644 42.059 0.129 0.000 0.904 526 L HN 0.465 nan 8.230 nan 0.000 0.435 527 L N 0.185 121.344 121.223 -0.107 0.000 2.013 527 L HA -0.280 4.057 4.340 -0.005 0.000 0.212 527 L C 1.999 178.798 176.870 -0.118 0.000 1.073 527 L CA 2.005 56.602 54.840 -0.405 0.000 0.753 527 L CB -0.720 40.940 42.059 -0.666 0.000 0.890 527 L HN 0.211 nan 8.230 nan 0.000 0.432 528 D N -0.621 119.754 120.400 -0.042 0.000 2.117 528 D HA -0.166 4.471 4.640 -0.005 0.000 0.197 528 D C 2.357 178.708 176.300 0.086 0.000 0.987 528 D CA 1.352 55.377 54.000 0.042 0.000 0.829 528 D CB -0.089 40.726 40.800 0.026 0.000 0.961 528 D HN 0.391 nan 8.370 nan 0.000 0.460 529 R N 0.228 120.756 120.500 0.047 0.000 2.075 529 R HA -0.070 4.267 4.340 -0.005 0.000 0.232 529 R C 2.474 178.807 176.300 0.055 0.000 1.126 529 R CA 1.253 57.377 56.100 0.039 0.000 0.963 529 R CB -0.367 29.947 30.300 0.024 0.000 0.858 529 R HN 0.242 nan 8.270 nan 0.000 0.435 530 V N -1.584 118.379 119.914 0.081 0.000 2.453 530 V HA -0.192 3.925 4.120 -0.005 0.000 0.247 530 V C 2.005 178.187 176.094 0.147 0.000 1.048 530 V CA 1.297 63.674 62.300 0.129 0.000 1.049 530 V CB -0.915 31.028 31.823 0.199 0.000 0.672 530 V HN 0.237 nan 8.190 nan 0.000 0.457 531 Y N 2.312 122.638 120.300 0.042 0.000 2.145 531 Y HA -0.076 4.470 4.550 -0.005 0.000 0.286 531 Y C 2.610 178.556 175.900 0.077 0.000 1.145 531 Y CA 2.014 60.148 58.100 0.056 0.000 1.148 531 Y CB -0.880 37.598 38.460 0.031 0.000 0.981 531 Y HN 0.300 nan 8.280 nan 0.000 0.507 532 A N 0.465 123.257 122.820 -0.046 0.000 1.883 532 A HA -0.200 4.117 4.320 -0.005 0.000 0.217 532 A C 2.347 179.870 177.584 -0.103 0.000 1.186 532 A CA 2.055 54.021 52.037 -0.118 0.000 0.624 532 A CB -1.249 17.742 19.000 -0.014 0.000 0.822 532 A HN 0.569 nan 8.150 nan 0.000 0.444 533 L N -0.926 120.275 121.223 -0.036 0.000 2.017 533 L HA -0.181 4.156 4.340 -0.005 0.000 0.208 533 L C 2.599 179.515 176.870 0.077 0.000 1.073 533 L CA 1.193 56.062 54.840 0.048 0.000 0.745 533 L CB -0.472 41.622 42.059 0.058 0.000 0.894 533 L HN 0.371 nan 8.230 nan 0.000 0.432 534 L N -0.367 120.829 121.223 -0.044 0.000 2.093 534 L HA -0.214 4.123 4.340 -0.005 0.000 0.208 534 L C 2.694 179.425 176.870 -0.231 0.000 1.085 534 L CA 1.140 55.891 54.840 -0.149 0.000 0.755 534 L CB -0.438 41.507 42.059 -0.190 0.000 0.904 534 L HN 0.250 nan 8.230 nan 0.000 0.435 535 K N 0.542 120.798 120.400 -0.239 0.000 2.032 535 K HA -0.279 4.037 4.320 -0.005 0.000 0.209 535 K C 2.069 178.749 176.600 0.134 0.000 1.048 535 K CA 2.042 58.304 56.287 -0.042 0.000 0.927 535 K CB -0.027 32.287 32.500 -0.309 0.000 0.712 535 K HN 0.277 nan 8.250 nan 0.000 0.441 536 E N 0.048 120.311 120.200 0.104 0.000 2.107 536 E HA -0.206 4.141 4.350 -0.005 0.000 0.191 536 E C 1.840 178.570 176.600 0.217 0.000 0.982 536 E CA 1.123 57.646 56.400 0.206 0.000 0.809 536 E CB 0.081 29.919 29.700 0.231 0.000 0.756 536 E HN 0.277 nan 8.360 nan 0.000 0.459 537 E N 0.071 120.320 120.200 0.081 0.000 2.150 537 E HA -0.083 4.264 4.350 -0.005 0.000 0.193 537 E C 1.896 178.573 176.600 0.127 0.000 0.985 537 E CA 1.365 57.743 56.400 -0.037 0.000 0.814 537 E CB -0.069 29.498 29.700 -0.221 0.000 0.752 537 E HN 0.110 nan 8.360 nan 0.000 0.466 538 S N -0.317 115.368 115.700 -0.026 0.000 2.368 538 S HA -0.169 4.297 4.470 -0.005 0.000 0.224 538 S C 1.755 176.479 174.600 0.207 0.000 1.029 538 S CA 1.025 59.143 58.200 -0.136 0.000 0.988 538 S CB -0.539 62.154 63.200 -0.845 0.000 0.838 538 S HN 0.470 nan 8.310 nan 0.000 0.462 539 H N 0.274 119.520 119.070 0.292 0.000 2.319 539 H HA -0.159 4.393 4.556 -0.006 0.000 0.297 539 H C 2.103 177.674 175.328 0.405 0.000 1.097 539 H CA 1.892 58.166 56.048 0.378 0.000 1.285 539 H CB -0.430 29.534 29.762 0.337 0.000 1.368 539 H HN 0.420 nan 8.280 nan 0.000 0.495 540 F N 0.863 120.996 119.950 0.305 0.000 2.069 540 F HA -0.241 4.283 4.527 -0.006 0.000 0.298 540 F C 2.132 178.025 175.800 0.155 0.000 1.113 540 F CA 1.539 59.687 58.000 0.248 0.000 1.214 540 F CB -1.121 37.904 39.000 0.043 0.000 0.978 540 F HN 0.088 nan 8.300 nan 0.000 0.474 541 Y N -0.360 119.911 120.300 -0.047 0.000 2.163 541 Y HA -0.191 4.356 4.550 -0.006 0.000 0.288 541 Y C 2.574 178.466 175.900 -0.013 0.000 1.136 541 Y CA 1.933 59.935 58.100 -0.163 0.000 1.147 541 Y CB -0.855 37.533 38.460 -0.120 0.000 0.987 541 Y HN -0.109 nan 8.280 nan 0.000 0.509 542 V N 0.473 120.528 119.914 0.235 0.000 2.295 542 V HA -0.312 3.805 4.120 -0.005 0.000 0.246 542 V C 1.812 178.132 176.094 0.377 0.000 1.049 542 V CA 2.213 64.736 62.300 0.372 0.000 1.024 542 V CB -0.473 31.573 31.823 0.372 0.000 0.648 542 V HN 0.507 nan 8.190 nan 0.000 0.447 543 N N -1.840 116.904 118.700 0.074 0.000 2.395 543 N HA -0.013 4.724 4.740 -0.005 0.000 0.175 543 N C 1.492 176.720 175.510 -0.470 0.000 1.029 543 N CA 1.105 54.078 53.050 -0.128 0.000 0.897 543 N CB 0.284 38.456 38.487 -0.525 0.000 0.991 543 N HN 0.567 nan 8.380 nan 0.000 0.441 544 Y N -0.792 119.428 120.300 -0.133 0.000 2.585 544 Y HA 0.294 4.841 4.550 -0.005 0.000 0.272 544 Y C 2.046 177.759 175.900 -0.312 0.000 1.119 544 Y CA -0.050 57.903 58.100 -0.245 0.000 1.255 544 Y CB 0.204 38.486 38.460 -0.296 0.000 1.284 544 Y HN -0.127 nan 8.280 nan 0.000 0.499 545 M N -0.191 119.218 119.600 -0.317 0.000 2.552 545 M HA 0.208 4.685 4.480 -0.005 0.000 0.264 545 M C 0.430 176.653 176.300 -0.128 0.000 1.159 545 M CA 0.704 55.775 55.300 -0.382 0.000 1.176 545 M CB -0.476 31.540 32.600 -0.974 0.000 1.327 545 M HN -0.008 nan 8.290 nan 0.000 0.481 546 L N 1.384 122.599 121.223 -0.012 0.000 2.397 546 L HA 0.140 4.477 4.340 -0.005 0.000 0.271 546 L C 0.245 177.165 176.870 0.083 0.000 1.148 546 L CA -0.052 54.786 54.840 -0.002 0.000 0.825 546 L CB 0.241 42.217 42.059 -0.140 0.000 1.117 546 L HN 0.417 nan 8.230 nan 0.000 0.456 547 H N 0.370 119.384 119.070 -0.093 0.000 2.985 547 H HA 0.409 4.962 4.556 -0.005 0.000 0.360 547 H C -1.106 174.167 175.328 -0.092 0.000 1.221 547 H CA -1.319 54.713 56.048 -0.026 0.000 1.121 547 H CB 1.670 31.453 29.762 0.034 0.000 1.854 547 H HN 0.410 nan 8.280 nan 0.000 0.551 548 K N 1.915 122.220 120.400 -0.158 0.000 2.379 548 K HA 0.370 4.687 4.320 -0.005 0.000 0.284 548 K C -0.085 176.184 176.600 -0.552 0.000 1.044 548 K CA -0.067 56.066 56.287 -0.256 0.000 0.974 548 K CB 0.488 32.925 32.500 -0.105 0.000 0.962 548 K HN 0.647 nan 8.250 nan 0.000 0.474 549 A N 3.758 126.362 122.820 -0.360 0.000 2.483 549 A HA 0.289 4.606 4.320 -0.005 0.000 0.238 549 A C 0.643 178.103 177.584 -0.207 0.000 1.070 549 A CA 0.262 52.131 52.037 -0.280 0.000 0.770 549 A CB 0.249 19.185 19.000 -0.108 0.000 1.008 549 A HN 0.940 nan 8.150 nan 0.000 0.497 550 G N -0.209 108.521 108.800 -0.117 0.000 2.588 550 G HA2 0.358 4.314 3.960 -0.005 0.000 0.278 550 G HA3 0.358 4.314 3.960 -0.005 0.000 0.278 550 G C 1.247 176.149 174.900 0.003 0.000 1.307 550 G CA 0.354 45.432 45.100 -0.036 0.000 1.016 550 G HN 1.477 nan 8.290 nan 0.000 0.503 551 S N -1.013 114.699 115.700 0.019 0.000 2.440 551 S HA -0.203 4.263 4.470 -0.005 0.000 0.238 551 S C 2.346 176.986 174.600 0.067 0.000 1.010 551 S CA 1.739 59.957 58.200 0.031 0.000 0.972 551 S CB -0.546 62.670 63.200 0.026 0.000 0.774 551 S HN 1.000 nan 8.310 nan 0.000 0.501 552 S N 0.865 116.627 115.700 0.104 0.000 2.447 552 S HA 0.094 4.561 4.470 -0.005 0.000 0.233 552 S C 1.455 176.176 174.600 0.201 0.000 1.006 552 S CA 0.814 59.124 58.200 0.183 0.000 0.957 552 S CB -0.461 62.893 63.200 0.256 0.000 0.773 552 S HN 0.435 nan 8.310 nan 0.000 0.507 553 S N 0.580 116.359 115.700 0.131 0.000 2.663 553 S HA 0.601 5.068 4.470 -0.005 0.000 0.243 553 S C 0.897 175.498 174.600 0.002 0.000 1.009 553 S CA -0.077 58.194 58.200 0.117 0.000 0.988 553 S CB 0.281 63.556 63.200 0.126 0.000 0.896 553 S HN 1.066 nan 8.310 nan 0.000 0.502 554 G N 2.394 111.202 108.800 0.013 0.000 2.553 554 G HA2 -0.235 3.721 3.960 -0.005 0.000 0.242 554 G HA3 -0.235 3.721 3.960 -0.005 0.000 0.242 554 G C -0.819 174.044 174.900 -0.061 0.000 1.277 554 G CA -0.076 45.011 45.100 -0.021 0.000 0.910 554 G HN 0.385 nan 8.290 nan 0.000 0.576 555 D N 1.598 121.955 120.400 -0.072 0.000 2.485 555 D HA 0.572 5.209 4.640 -0.005 0.000 0.221 555 D C 0.652 176.885 176.300 -0.112 0.000 1.112 555 D CA -0.148 53.807 54.000 -0.076 0.000 0.911 555 D CB -0.332 40.440 40.800 -0.047 0.000 1.019 555 D HN 0.824 nan 8.370 nan 0.000 0.516 556 R N 1.581 121.995 120.500 -0.143 0.000 2.765 556 R HA 0.376 4.713 4.340 -0.005 0.000 0.277 556 R C -1.094 175.087 176.300 -0.197 0.000 1.028 556 R CA -0.947 55.043 56.100 -0.183 0.000 0.860 556 R CB 0.466 30.605 30.300 -0.268 0.000 1.270 556 R HN 0.042 nan 8.270 nan 0.000 0.484 557 L N 1.716 122.799 121.223 -0.233 0.000 2.397 557 L HA 0.429 4.766 4.340 -0.005 0.000 0.271 557 L C 0.426 177.197 176.870 -0.164 0.000 1.148 557 L CA -0.019 54.664 54.840 -0.262 0.000 0.825 557 L CB 1.244 43.032 42.059 -0.453 0.000 1.117 557 L HN 0.956 nan 8.230 nan 0.000 0.456 558 T N -3.010 111.526 114.554 -0.030 0.000 2.858 558 T HA 0.292 4.639 4.350 -0.005 0.000 0.285 558 T C 0.668 175.430 174.700 0.102 0.000 1.052 558 T CA -0.130 62.002 62.100 0.053 0.000 1.009 558 T CB 1.615 70.564 68.868 0.135 0.000 1.241 558 T HN 0.603 nan 8.240 nan 0.000 0.542 559 T N -1.922 112.694 114.554 0.103 0.000 3.219 559 T HA 0.507 4.853 4.350 -0.005 0.000 0.249 559 T C 1.393 176.106 174.700 0.023 0.000 1.099 559 T CA 0.315 62.476 62.100 0.102 0.000 0.988 559 T CB -1.190 67.783 68.868 0.175 0.000 0.999 559 T HN 1.770 nan 8.240 nan 0.000 0.550 560 G N 1.154 109.916 108.800 -0.063 0.000 2.562 560 G HA2 -0.225 3.732 3.960 -0.005 0.000 0.250 560 G HA3 -0.225 3.732 3.960 -0.005 0.000 0.250 560 G C -0.056 174.854 174.900 0.017 0.000 1.269 560 G CA -0.427 44.516 45.100 -0.262 0.000 0.919 560 G HN 0.983 nan 8.290 nan 0.000 0.574 561 V N 1.198 121.120 119.914 0.012 0.000 2.557 561 V HA 0.432 4.549 4.120 -0.005 0.000 0.301 561 V C 0.892 177.153 176.094 0.277 0.000 1.026 561 V CA 1.759 64.117 62.300 0.096 0.000 1.137 561 V CB 0.184 31.990 31.823 -0.029 0.000 0.917 561 V HN 2.475 nan 8.190 nan 0.000 0.484 562 A N 5.998 129.022 122.820 0.339 0.000 2.594 562 A HA 0.686 5.003 4.320 -0.005 0.000 0.295 562 A C -1.724 176.200 177.584 0.567 0.000 1.071 562 A CA -0.579 51.750 52.037 0.487 0.000 0.685 562 A CB 1.445 20.671 19.000 0.376 0.000 1.285 562 A HN 1.042 nan 8.150 nan 0.000 0.405 563 Y N 1.179 121.767 120.300 0.479 0.000 2.377 563 Y HA 0.663 5.210 4.550 -0.006 0.000 0.339 563 Y C 0.275 176.357 175.900 0.304 0.000 1.011 563 Y CA -0.948 57.396 58.100 0.407 0.000 1.093 563 Y CB 2.155 40.864 38.460 0.414 0.000 1.201 563 Y HN 0.610 nan 8.280 nan 0.000 0.455 564 S N 8.291 123.869 115.700 -0.202 0.000 2.415 564 S HA 0.450 4.917 4.470 -0.005 0.000 0.313 564 S C -2.755 171.357 174.600 -0.813 0.000 1.067 564 S CA -1.729 56.227 58.200 -0.408 0.000 1.099 564 S CB -0.051 62.922 63.200 -0.377 0.000 0.991 564 S HN 0.435 nan 8.310 nan 0.000 0.491 565 P HA 0.121 nan 4.420 nan 0.000 0.264 565 P C -0.556 176.444 177.300 -0.501 0.000 1.193 565 P CA 0.185 62.872 63.100 -0.688 0.000 0.763 565 P CB 0.313 31.697 31.700 -0.528 0.000 0.810 566 E N 2.245 122.350 120.200 -0.158 0.000 3.846 566 E HA 0.106 4.453 4.350 -0.005 0.000 0.216 566 E C -0.079 176.530 176.600 0.015 0.000 1.092 566 E CA -0.246 56.124 56.400 -0.050 0.000 1.370 566 E CB 0.473 30.262 29.700 0.149 0.000 1.227 566 E HN 0.506 nan 8.360 nan 0.000 0.442 567 Q N -1.211 118.436 119.800 -0.256 0.000 2.615 567 Q HA 0.734 5.071 4.340 -0.005 0.000 0.298 567 Q C 0.254 176.370 176.000 0.193 0.000 1.023 567 Q CA -0.775 54.943 55.803 -0.143 0.000 0.768 567 Q CB 1.658 30.037 28.738 -0.597 0.000 1.500 567 Q HN 0.133 nan 8.270 nan 0.000 0.441 568 G N 0.199 109.110 108.800 0.184 0.000 2.741 568 G HA2 -0.146 3.811 3.960 -0.005 0.000 0.222 568 G HA3 -0.146 3.811 3.960 -0.005 0.000 0.222 568 G C -2.701 172.297 174.900 0.162 0.000 1.364 568 G CA -0.481 44.640 45.100 0.036 0.000 0.866 568 G HN 0.649 nan 8.290 nan 0.000 0.555 569 P HA 0.361 nan 4.420 nan 0.000 0.272 569 P C 1.127 178.622 177.300 0.326 0.000 1.223 569 P CA -0.684 62.491 63.100 0.125 0.000 0.784 569 P CB 0.599 32.330 31.700 0.052 0.000 0.923 570 L N 1.578 122.905 121.223 0.172 0.000 2.083 570 L HA 0.091 4.428 4.340 -0.005 0.000 0.209 570 L C 1.168 178.161 176.870 0.205 0.000 1.083 570 L CA 1.883 56.775 54.840 0.085 0.000 0.752 570 L CB -1.105 40.865 42.059 -0.148 0.000 0.899 570 L HN 0.565 nan 8.230 nan 0.000 0.433 571 G N -1.279 107.584 108.800 0.105 0.000 2.845 571 G HA2 0.494 4.451 3.960 -0.005 0.000 0.282 571 G HA3 0.494 4.451 3.960 -0.005 0.000 0.282 571 G C -0.487 174.492 174.900 0.130 0.000 1.546 571 G CA 0.222 45.368 45.100 0.077 0.000 1.089 571 G HN 0.154 nan 8.290 nan 0.000 0.558 572 T N -1.266 113.416 114.554 0.213 0.000 2.938 572 T HA 0.527 4.873 4.350 -0.005 0.000 0.285 572 T C -0.585 174.224 174.700 0.182 0.000 1.028 572 T CA -0.712 61.507 62.100 0.198 0.000 1.005 572 T CB 2.301 71.266 68.868 0.162 0.000 1.157 572 T HN 0.126 nan 8.240 nan 0.000 0.550 573 D N 0.641 121.147 120.400 0.176 0.000 2.508 573 D HA 0.424 5.060 4.640 -0.005 0.000 0.224 573 D C 1.120 177.557 176.300 0.228 0.000 1.171 573 D CA 1.246 55.370 54.000 0.207 0.000 1.006 573 D CB -0.889 40.038 40.800 0.213 0.000 1.073 573 D HN 1.096 nan 8.370 nan 0.000 0.513 574 G N 2.928 111.858 108.800 0.218 0.000 2.804 574 G HA2 -0.153 3.804 3.960 -0.005 0.000 0.230 574 G HA3 -0.153 3.804 3.960 -0.005 0.000 0.230 574 G C -0.362 174.669 174.900 0.217 0.000 1.386 574 G CA -0.119 45.121 45.100 0.233 0.000 0.875 574 G HN 0.890 nan 8.290 nan 0.000 0.557 575 N N -4.045 114.757 118.700 0.170 0.000 3.227 575 N HA 0.509 5.246 4.740 -0.005 0.000 0.241 575 N C 0.557 175.970 175.510 -0.163 0.000 1.480 575 N CA 0.279 53.250 53.050 -0.131 0.000 0.886 575 N CB 0.219 38.623 38.487 -0.140 0.000 1.406 575 N HN 0.550 nan 8.380 nan 0.000 0.514 576 T N -0.719 113.565 114.554 -0.451 0.000 2.821 576 T HA -0.148 4.199 4.350 -0.005 0.000 0.267 576 T C 1.214 175.844 174.700 -0.117 0.000 1.046 576 T CA 1.723 63.667 62.100 -0.261 0.000 1.139 576 T CB -0.628 68.038 68.868 -0.335 0.000 0.871 576 T HN 0.519 nan 8.240 nan 0.000 0.454 577 Y N 2.420 122.587 120.300 -0.222 0.000 2.053 577 Y HA -0.215 4.332 4.550 -0.005 0.000 0.277 577 Y C 2.217 178.030 175.900 -0.144 0.000 1.159 577 Y CA 1.607 59.597 58.100 -0.183 0.000 1.125 577 Y CB -0.517 37.843 38.460 -0.167 0.000 0.969 577 Y HN 0.245 nan 8.280 nan 0.000 0.492 578 E N -0.444 119.470 120.200 -0.476 0.000 2.072 578 E HA -0.135 4.212 4.350 -0.005 0.000 0.190 578 E C 2.339 178.781 176.600 -0.263 0.000 0.982 578 E CA 1.254 57.351 56.400 -0.504 0.000 0.803 578 E CB -0.189 29.382 29.700 -0.215 0.000 0.755 578 E HN 0.449 nan 8.360 nan 0.000 0.453 579 S N 0.803 116.442 115.700 -0.103 0.000 2.382 579 S HA -0.102 4.365 4.470 -0.005 0.000 0.228 579 S C 2.177 176.745 174.600 -0.054 0.000 1.027 579 S CA 0.850 59.030 58.200 -0.033 0.000 0.991 579 S CB -0.061 63.190 63.200 0.085 0.000 0.823 579 S HN 0.132 nan 8.310 nan 0.000 0.469 580 S N 1.704 117.333 115.700 -0.118 0.000 2.368 580 S HA 0.047 4.514 4.470 -0.005 0.000 0.225 580 S C 1.784 176.326 174.600 -0.097 0.000 1.030 580 S CA 0.876 59.001 58.200 -0.126 0.000 0.999 580 S CB -0.364 62.721 63.200 -0.191 0.000 0.844 580 S HN 0.369 nan 8.310 nan 0.000 0.459 581 L N 0.852 121.929 121.223 -0.242 0.000 2.056 581 L HA -0.053 4.284 4.340 -0.005 0.000 0.207 581 L C 2.312 179.043 176.870 -0.232 0.000 1.078 581 L CA 0.845 55.517 54.840 -0.279 0.000 0.749 581 L CB -0.586 41.220 42.059 -0.421 0.000 0.901 581 L HN 0.199 nan 8.230 nan 0.000 0.433 582 V N -1.295 118.461 119.914 -0.263 0.000 2.427 582 V HA -0.282 3.835 4.120 -0.005 0.000 0.248 582 V C 2.055 178.056 176.094 -0.155 0.000 1.051 582 V CA 1.695 63.807 62.300 -0.314 0.000 1.048 582 V CB -0.592 31.017 31.823 -0.356 0.000 0.666 582 V HN 0.607 nan 8.190 nan 0.000 0.456 583 W N 0.874 122.042 121.300 -0.220 0.000 2.335 583 W HA -0.297 4.360 4.660 -0.006 0.000 0.311 583 W C 2.606 179.026 176.519 -0.165 0.000 1.213 583 W CA 2.241 59.488 57.345 -0.163 0.000 1.274 583 W CB -0.129 29.257 29.460 -0.124 0.000 1.148 583 W HN 0.177 nan 8.180 nan 0.000 0.498 584 Q N 0.105 119.977 119.800 0.122 0.000 2.119 584 Q HA -0.237 4.100 4.340 -0.005 0.000 0.201 584 Q C 2.393 178.247 176.000 -0.244 0.000 0.972 584 Q CA 2.428 58.204 55.803 -0.045 0.000 0.847 584 Q CB -0.725 28.045 28.738 0.055 0.000 0.903 584 Q HN 0.485 nan 8.270 nan 0.000 0.433 585 M N -0.836 118.617 119.600 -0.245 0.000 2.086 585 M HA -0.168 4.309 4.480 -0.005 0.000 0.261 585 M C 1.586 177.636 176.300 -0.417 0.000 1.067 585 M CA 1.471 56.588 55.300 -0.305 0.000 1.116 585 M CB -0.056 32.356 32.600 -0.313 0.000 1.348 585 M HN 0.322 nan 8.290 nan 0.000 0.407 586 L N 0.197 121.157 121.223 -0.438 0.000 2.083 586 L HA -0.245 4.091 4.340 -0.005 0.000 0.209 586 L C 2.375 178.974 176.870 -0.452 0.000 1.083 586 L CA 1.027 55.578 54.840 -0.482 0.000 0.752 586 L CB -1.087 40.749 42.059 -0.372 0.000 0.899 586 L HN 0.435 nan 8.230 nan 0.000 0.433 587 N N 0.437 118.802 118.700 -0.559 0.000 2.043 587 N HA -0.210 4.527 4.740 -0.005 0.000 0.193 587 N C 1.482 176.746 175.510 -0.410 0.000 1.037 587 N CA 1.754 54.474 53.050 -0.550 0.000 0.851 587 N CB -0.153 37.852 38.487 -0.804 0.000 1.027 587 N HN 0.213 nan 8.380 nan 0.000 0.422 588 D N 0.188 120.307 120.400 -0.467 0.000 2.117 588 D HA -0.070 4.566 4.640 -0.005 0.000 0.197 588 D C 1.771 177.695 176.300 -0.626 0.000 0.987 588 D CA 1.352 54.933 54.000 -0.699 0.000 0.829 588 D CB -0.542 39.809 40.800 -0.749 0.000 0.961 588 D HN 0.382 nan 8.370 nan 0.000 0.460 589 A N 0.582 123.124 122.820 -0.464 0.000 1.902 589 A HA -0.146 4.171 4.320 -0.005 0.000 0.217 589 A C 2.381 179.976 177.584 0.019 0.000 1.181 589 A CA 0.960 52.782 52.037 -0.358 0.000 0.623 589 A CB -0.747 17.737 19.000 -0.859 0.000 0.818 589 A HN 0.205 nan 8.150 nan 0.000 0.443 590 I N -0.332 120.255 120.570 0.028 0.000 2.226 590 I HA -0.227 3.940 4.170 -0.005 0.000 0.245 590 I C 2.442 178.617 176.117 0.097 0.000 1.100 590 I CA 1.290 62.706 61.300 0.192 0.000 1.374 590 I CB -0.297 37.757 38.000 0.089 0.000 1.057 590 I HN 0.282 nan 8.210 nan 0.000 0.413 591 E N 0.867 121.058 120.200 -0.015 0.000 2.077 591 E HA -0.182 4.164 4.350 -0.005 0.000 0.193 591 E C 2.337 179.014 176.600 0.128 0.000 0.989 591 E CA 1.426 57.853 56.400 0.044 0.000 0.800 591 E CB -0.369 29.353 29.700 0.037 0.000 0.746 591 E HN 0.505 nan 8.360 nan 0.000 0.452 592 A N 1.576 124.463 122.820 0.112 0.000 1.902 592 A HA -0.095 4.222 4.320 -0.005 0.000 0.217 592 A C 2.443 180.077 177.584 0.083 0.000 1.181 592 A CA 2.158 54.313 52.037 0.196 0.000 0.623 592 A CB -0.647 18.534 19.000 0.302 0.000 0.818 592 A HN 0.269 nan 8.150 nan 0.000 0.443 593 A N -0.139 122.795 122.820 0.190 0.000 1.883 593 A HA -0.194 4.122 4.320 -0.005 0.000 0.217 593 A C 2.119 179.668 177.584 -0.058 0.000 1.186 593 A CA 1.916 53.970 52.037 0.028 0.000 0.624 593 A CB -0.502 18.668 19.000 0.284 0.000 0.822 593 A HN 0.540 nan 8.150 nan 0.000 0.444 594 K N -0.415 119.998 120.400 0.021 0.000 2.103 594 K HA -0.094 4.223 4.320 -0.005 0.000 0.207 594 K C 2.176 178.771 176.600 -0.009 0.000 1.048 594 K CA 1.133 57.423 56.287 0.005 0.000 0.930 594 K CB -0.331 32.188 32.500 0.032 0.000 0.716 594 K HN 0.457 nan 8.250 nan 0.000 0.444 595 A N 1.405 124.230 122.820 0.009 0.000 2.070 595 A HA -0.148 4.169 4.320 -0.005 0.000 0.220 595 A C 1.560 179.107 177.584 -0.062 0.000 1.159 595 A CA 1.346 53.392 52.037 0.015 0.000 0.656 595 A CB -0.113 18.927 19.000 0.066 0.000 0.800 595 A HN 0.197 nan 8.150 nan 0.000 0.453 596 K N -1.681 118.634 120.400 -0.142 0.000 2.358 596 K HA 0.279 4.596 4.320 -0.005 0.000 0.197 596 K C 0.859 177.373 176.600 -0.144 0.000 1.025 596 K CA 0.421 56.595 56.287 -0.187 0.000 1.104 596 K CB 0.253 32.536 32.500 -0.361 0.000 0.855 596 K HN 0.574 nan 8.250 nan 0.000 0.531 597 G N 2.668 111.406 108.800 -0.103 0.000 2.137 597 G HA2 -0.285 3.672 3.960 -0.005 0.000 0.237 597 G HA3 -0.285 3.672 3.960 -0.005 0.000 0.237 597 G C -0.194 174.651 174.900 -0.092 0.000 1.002 597 G CA 0.254 45.307 45.100 -0.078 0.000 0.702 597 G HN 0.449 nan 8.290 nan 0.000 0.515 598 D N -0.834 119.494 120.400 -0.120 0.000 2.740 598 D HA -0.158 4.479 4.640 -0.005 0.000 0.231 598 D C 0.201 176.434 176.300 -0.111 0.000 1.194 598 D CA 1.168 55.097 54.000 -0.118 0.000 0.673 598 D CB -0.112 40.637 40.800 -0.085 0.000 0.995 598 D HN 0.429 nan 8.370 nan 0.000 0.411 599 P HA -0.101 nan 4.420 nan 0.000 0.222 599 P C 0.658 177.926 177.300 -0.053 0.000 1.147 599 P CA 0.853 63.903 63.100 -0.083 0.000 0.790 599 P CB 0.294 31.942 31.700 -0.087 0.000 0.780 600 D N -0.902 119.474 120.400 -0.040 0.000 2.349 600 D HA 0.131 4.768 4.640 -0.005 0.000 0.214 600 D C 1.219 177.460 176.300 -0.098 0.000 1.063 600 D CA 0.520 54.502 54.000 -0.030 0.000 0.847 600 D CB -0.287 40.541 40.800 0.047 0.000 0.933 600 D HN 0.131 nan 8.370 nan 0.000 0.513 601 G N 1.730 110.457 108.800 -0.121 0.000 2.338 601 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.296 601 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.296 601 G C 0.746 175.501 174.900 -0.241 0.000 1.040 601 G CA 0.205 45.216 45.100 -0.149 0.000 1.004 601 G HN 0.397 nan 8.290 nan 0.000 0.509 602 L N -0.965 120.029 121.223 -0.381 0.000 2.638 602 L HA 0.121 4.458 4.340 -0.005 0.000 0.232 602 L C 2.606 179.024 176.870 -0.753 0.000 1.099 602 L CA 0.087 54.478 54.840 -0.748 0.000 0.883 602 L CB 0.129 41.416 42.059 -1.286 0.000 1.136 602 L HN 0.254 nan 8.230 nan 0.000 0.492 603 V N 0.391 120.086 119.914 -0.364 0.000 2.295 603 V HA -0.076 4.040 4.120 -0.005 0.000 0.246 603 V C 1.816 177.866 176.094 -0.074 0.000 1.049 603 V CA 1.636 63.872 62.300 -0.106 0.000 1.024 603 V CB -1.157 30.653 31.823 -0.021 0.000 0.648 603 V HN 0.645 nan 8.190 nan 0.000 0.447 604 G N 1.171 109.907 108.800 -0.107 0.000 2.566 604 G HA2 -0.312 3.645 3.960 -0.005 0.000 0.280 604 G HA3 -0.312 3.645 3.960 -0.005 0.000 0.280 604 G C -0.158 174.725 174.900 -0.028 0.000 1.225 604 G CA 0.691 45.748 45.100 -0.073 0.000 0.966 604 G HN 1.170 nan 8.290 nan 0.000 0.560 605 N N -3.650 115.044 118.700 -0.011 0.000 3.378 605 N HA 0.548 5.284 4.740 -0.005 0.000 0.294 605 N C 0.126 175.648 175.510 0.020 0.000 1.544 605 N CA 0.568 53.620 53.050 0.003 0.000 0.872 605 N CB 0.544 39.025 38.487 -0.009 0.000 1.670 605 N HN 1.254 nan 8.380 nan 0.000 0.551 606 T N -3.718 110.849 114.554 0.021 0.000 3.243 606 T HA 0.308 4.655 4.350 -0.005 0.000 0.264 606 T C -0.399 174.314 174.700 0.021 0.000 1.000 606 T CA -0.244 61.875 62.100 0.033 0.000 0.901 606 T CB -1.059 67.832 68.868 0.037 0.000 1.083 606 T HN 0.482 nan 8.240 nan 0.000 0.559 607 T N 3.429 117.987 114.554 0.008 0.000 2.794 607 T HA 0.240 4.586 4.350 -0.005 0.000 0.296 607 T C -0.105 174.593 174.700 -0.003 0.000 0.949 607 T CA -0.256 61.843 62.100 -0.000 0.000 1.101 607 T CB 0.371 69.233 68.868 -0.010 0.000 0.905 607 T HN 0.382 nan 8.240 nan 0.000 0.516 608 D N 0.439 120.839 120.400 0.000 0.000 2.689 608 D HA -0.159 4.478 4.640 -0.005 0.000 0.237 608 D C -0.114 176.193 176.300 0.011 0.000 1.148 608 D CA 0.357 54.356 54.000 -0.001 0.000 0.656 608 D CB -1.318 39.472 40.800 -0.017 0.000 1.050 608 D HN 0.559 nan 8.370 nan 0.000 0.426 609 c N 1.300 119.920 118.600 0.034 0.000 2.264 609 c HA 0.675 5.241 4.570 -0.005 0.000 0.324 609 c C 0.216 174.360 174.090 0.090 0.000 1.267 609 c CA -0.051 56.323 56.329 0.075 0.000 1.618 609 c CB 0.700 43.258 42.510 0.081 0.000 2.278 609 c HN 0.416 nan 8.230 nan 0.000 0.499 610 S N 3.571 119.354 115.700 0.138 0.000 2.537 610 S HA 0.634 5.101 4.470 -0.005 0.000 0.270 610 S C 0.556 175.286 174.600 0.217 0.000 1.142 610 S CA 0.195 58.469 58.200 0.123 0.000 0.870 610 S CB 1.613 64.861 63.200 0.079 0.000 1.112 610 S HN 1.400 nan 8.310 nan 0.000 0.466 611 A N 2.325 125.220 122.820 0.125 0.000 2.070 611 A HA -0.020 4.297 4.320 -0.005 0.000 0.220 611 A C 1.396 179.115 177.584 0.226 0.000 1.159 611 A CA 1.812 53.920 52.037 0.118 0.000 0.656 611 A CB -0.690 18.290 19.000 -0.033 0.000 0.800 611 A HN 0.845 nan 8.150 nan 0.000 0.453 612 D N 0.477 120.972 120.400 0.157 0.000 2.263 612 D HA -0.110 4.527 4.640 -0.005 0.000 0.208 612 D C 1.065 177.458 176.300 0.156 0.000 0.971 612 D CA 0.777 54.856 54.000 0.132 0.000 0.867 612 D CB -0.332 40.510 40.800 0.071 0.000 0.929 612 D HN 0.374 nan 8.370 nan 0.000 0.492 613 N N -0.325 118.491 118.700 0.194 0.000 2.520 613 N HA -0.122 4.615 4.740 -0.005 0.000 0.185 613 N C 1.080 176.505 175.510 -0.141 0.000 1.068 613 N CA 0.364 53.407 53.050 -0.012 0.000 0.911 613 N CB -0.163 38.239 38.487 -0.142 0.000 0.961 613 N HN 0.442 nan 8.380 nan 0.000 0.446 614 W N 1.182 122.495 121.300 0.021 0.000 3.316 614 W HA 0.373 5.029 4.660 -0.005 0.000 0.327 614 W C 0.210 176.916 176.519 0.311 0.000 1.232 614 W CA -0.826 56.636 57.345 0.196 0.000 1.805 614 W CB 0.012 29.584 29.460 0.188 0.000 1.090 614 W HN -0.089 nan 8.180 nan 0.000 0.654 615 A N 2.050 125.059 122.820 0.316 0.000 2.546 615 A HA 0.158 4.475 4.320 -0.005 0.000 0.243 615 A C 0.164 177.879 177.584 0.219 0.000 1.063 615 A CA 0.757 52.923 52.037 0.215 0.000 0.757 615 A CB 0.172 19.246 19.000 0.125 0.000 0.991 615 A HN 0.230 nan 8.150 nan 0.000 0.503 616 K N 1.371 121.837 120.400 0.110 0.000 2.395 616 K HA 0.343 4.659 4.320 -0.005 0.000 0.247 616 K C -0.310 176.291 176.600 0.001 0.000 0.973 616 K CA -0.937 55.350 56.287 -0.000 0.000 0.828 616 K CB 1.518 33.947 32.500 -0.118 0.000 1.272 616 K HN 0.886 nan 8.250 nan 0.000 0.439 617 N N -0.257 118.429 118.700 -0.023 0.000 2.366 617 N HA 0.045 4.782 4.740 -0.005 0.000 0.277 617 N C 0.122 175.621 175.510 -0.018 0.000 1.275 617 N CA -0.162 52.880 53.050 -0.012 0.000 0.964 617 N CB 0.244 38.725 38.487 -0.010 0.000 1.167 617 N HN 0.384 nan 8.380 nan 0.000 0.568 618 D N -1.162 119.232 120.400 -0.010 0.000 2.182 618 D HA -0.143 4.494 4.640 -0.005 0.000 0.201 618 D C 1.412 177.704 176.300 -0.014 0.000 0.986 618 D CA 1.642 55.637 54.000 -0.008 0.000 0.847 618 D CB -0.431 40.366 40.800 -0.004 0.000 0.942 618 D HN 0.678 nan 8.370 nan 0.000 0.467 619 S N -1.187 114.502 115.700 -0.019 0.000 2.527 619 S HA 0.206 4.673 4.470 -0.005 0.000 0.222 619 S C 1.699 176.279 174.600 -0.033 0.000 0.985 619 S CA 0.703 58.892 58.200 -0.019 0.000 0.921 619 S CB 0.400 63.591 63.200 -0.015 0.000 0.772 619 S HN 0.303 nan 8.310 nan 0.000 0.529 620 G N 0.774 109.537 108.800 -0.062 0.000 2.134 620 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.209 620 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.209 620 G C -0.413 174.350 174.900 -0.228 0.000 0.993 620 G CA -0.237 44.795 45.100 -0.113 0.000 0.669 620 G HN 0.614 nan 8.290 nan 0.000 0.519 621 N N -0.427 118.157 118.700 -0.193 0.000 2.456 621 N HA 0.654 5.390 4.740 -0.005 0.000 0.296 621 N C -0.151 175.221 175.510 -0.229 0.000 1.102 621 N CA -0.816 52.088 53.050 -0.244 0.000 0.924 621 N CB 0.740 39.168 38.487 -0.097 0.000 1.186 621 N HN 0.032 nan 8.380 nan 0.000 0.492 622 F N 0.553 120.449 119.950 -0.090 0.000 2.572 622 F HA 0.003 4.527 4.527 -0.005 0.000 0.370 622 F C 2.165 177.922 175.800 -0.073 0.000 1.103 622 F CA -0.185 57.755 58.000 -0.101 0.000 1.286 622 F CB 0.316 39.215 39.000 -0.168 0.000 1.105 622 F HN 0.568 nan 8.300 nan 0.000 0.583 623 T N -2.631 112.009 114.554 0.143 0.000 3.043 623 T HA -0.043 4.304 4.350 -0.005 0.000 0.263 623 T C 0.331 175.054 174.700 0.039 0.000 1.094 623 T CA 0.447 62.585 62.100 0.065 0.000 1.127 623 T CB -0.082 68.814 68.868 0.047 0.000 0.905 623 T HN 0.417 nan 8.240 nan 0.000 0.490 624 D N 0.804 121.220 120.400 0.027 0.000 2.441 624 D HA 0.627 5.264 4.640 -0.005 0.000 0.231 624 D C 0.938 177.191 176.300 -0.077 0.000 1.073 624 D CA -0.444 53.535 54.000 -0.035 0.000 0.850 624 D CB 1.397 42.159 40.800 -0.064 0.000 1.062 624 D HN 0.138 nan 8.370 nan 0.000 0.524 625 A N 4.139 126.927 122.820 -0.052 0.000 2.067 625 A HA -0.134 4.183 4.320 -0.005 0.000 0.219 625 A C 1.431 178.941 177.584 -0.124 0.000 1.158 625 A CA 0.918 52.915 52.037 -0.067 0.000 0.661 625 A CB -0.008 18.974 19.000 -0.030 0.000 0.801 625 A HN 0.549 nan 8.150 nan 0.000 0.452 626 N N -0.327 118.300 118.700 -0.122 0.000 2.205 626 N HA 0.249 4.986 4.740 -0.005 0.000 0.201 626 N C 0.463 175.876 175.510 -0.161 0.000 1.128 626 N CA 0.641 53.615 53.050 -0.126 0.000 0.867 626 N CB 0.072 38.508 38.487 -0.085 0.000 0.996 626 N HN 0.413 nan 8.380 nan 0.000 0.503 627 A N 1.197 123.890 122.820 -0.211 0.000 2.425 627 A HA 0.093 4.409 4.320 -0.005 0.000 0.242 627 A C 0.607 178.011 177.584 -0.299 0.000 1.077 627 A CA -0.266 51.630 52.037 -0.235 0.000 0.781 627 A CB 0.063 18.904 19.000 -0.264 0.000 1.020 627 A HN 0.136 nan 8.150 nan 0.000 0.494 628 N N 0.765 119.330 118.700 -0.227 0.000 2.416 628 N HA 0.060 4.796 4.740 -0.005 0.000 0.271 628 N C 0.124 175.438 175.510 -0.328 0.000 1.245 628 N CA 0.412 53.340 53.050 -0.205 0.000 0.940 628 N CB -0.079 38.354 38.487 -0.091 0.000 1.175 628 N HN 0.553 nan 8.380 nan 0.000 0.483 629 R N 1.204 121.448 120.500 -0.428 0.000 2.700 629 R HA 0.113 4.450 4.340 -0.005 0.000 0.399 629 R C 0.212 176.453 176.300 -0.099 0.000 1.115 629 R CA -0.384 55.373 56.100 -0.571 0.000 1.058 629 R CB 0.160 29.779 30.300 -1.134 0.000 1.389 629 R HN 0.584 nan 8.270 nan 0.000 0.582 630 S N -0.926 114.756 115.700 -0.030 0.000 2.589 630 S HA 0.017 4.484 4.470 -0.005 0.000 0.265 630 S C 1.002 175.742 174.600 0.233 0.000 1.342 630 S CA -0.626 57.578 58.200 0.007 0.000 1.005 630 S CB 0.650 63.819 63.200 -0.051 0.000 0.909 630 S HN 0.265 nan 8.310 nan 0.000 0.555 631 W N 1.042 122.367 121.300 0.041 0.000 2.338 631 W HA -0.048 4.609 4.660 -0.005 0.000 0.304 631 W C 2.854 179.374 176.519 0.003 0.000 1.212 631 W CA 0.762 58.124 57.345 0.028 0.000 1.264 631 W CB -2.069 27.391 29.460 -0.000 0.000 1.142 631 W HN 0.724 nan 8.180 nan 0.000 0.512 632 S N -0.346 115.484 115.700 0.216 0.000 2.368 632 S HA -0.217 4.250 4.470 -0.005 0.000 0.225 632 S C 2.003 176.668 174.600 0.109 0.000 1.030 632 S CA 1.519 59.785 58.200 0.109 0.000 0.999 632 S CB -1.000 62.239 63.200 0.066 0.000 0.844 632 S HN 0.386 nan 8.310 nan 0.000 0.459 633 c N 2.019 120.705 118.600 0.143 0.000 2.436 633 c HA 0.016 4.582 4.570 -0.005 0.000 0.277 633 c C 2.979 177.190 174.090 0.200 0.000 1.241 633 c CA 0.934 57.367 56.329 0.173 0.000 1.721 633 c CB -1.503 41.130 42.510 0.204 0.000 2.043 633 c HN 0.575 nan 8.230 nan 0.000 0.472 634 A N 0.394 123.385 122.820 0.284 0.000 1.883 634 A HA -0.250 4.067 4.320 -0.005 0.000 0.217 634 A C 2.306 179.899 177.584 0.014 0.000 1.186 634 A CA 2.245 54.359 52.037 0.128 0.000 0.624 634 A CB -0.884 18.271 19.000 0.259 0.000 0.822 634 A HN 0.795 nan 8.150 nan 0.000 0.444 635 K N 0.287 120.710 120.400 0.038 0.000 2.063 635 K HA -0.170 4.147 4.320 -0.005 0.000 0.208 635 K C 2.183 178.847 176.600 0.107 0.000 1.048 635 K CA 1.912 58.192 56.287 -0.010 0.000 0.928 635 K CB -0.237 32.168 32.500 -0.158 0.000 0.713 635 K HN 0.601 nan 8.250 nan 0.000 0.442 636 S N 0.208 115.961 115.700 0.088 0.000 2.474 636 S HA -0.059 4.408 4.470 -0.005 0.000 0.235 636 S C 1.714 176.352 174.600 0.063 0.000 0.997 636 S CA 0.666 58.928 58.200 0.104 0.000 0.949 636 S CB -0.195 63.052 63.200 0.079 0.000 0.766 636 S HN 0.354 nan 8.310 nan 0.000 0.517 637 L N 0.148 121.377 121.223 0.010 0.000 2.585 637 L HA 0.337 4.674 4.340 -0.005 0.000 0.226 637 L C 1.988 178.799 176.870 -0.099 0.000 1.113 637 L CA 0.069 54.871 54.840 -0.063 0.000 0.876 637 L CB -0.209 41.765 42.059 -0.142 0.000 1.072 637 L HN 0.282 nan 8.230 nan 0.000 0.468 638 L N -0.227 120.971 121.223 -0.042 0.000 2.109 638 L HA -0.088 4.248 4.340 -0.005 0.000 0.207 638 L C 0.753 177.547 176.870 -0.127 0.000 1.086 638 L CA 0.520 55.319 54.840 -0.068 0.000 0.760 638 L CB -0.312 41.775 42.059 0.047 0.000 0.910 638 L HN 0.157 nan 8.230 nan 0.000 0.437 639 K N -0.635 119.722 120.400 -0.072 0.000 3.490 639 K HA -0.187 4.129 4.320 -0.005 0.000 0.273 639 K C -1.807 174.699 176.600 -0.157 0.000 0.916 639 K CA 0.166 56.388 56.287 -0.109 0.000 0.718 639 K CB -0.808 31.622 32.500 -0.117 0.000 1.477 639 K HN 0.286 nan 8.250 nan 0.000 0.452 640 P HA -0.113 nan 4.420 nan 0.000 0.219 640 P C 0.339 177.611 177.300 -0.047 0.000 1.150 640 P CA 0.993 64.038 63.100 -0.092 0.000 0.814 640 P CB 0.173 31.732 31.700 -0.235 0.000 0.787 641 I N 0.975 121.417 120.570 -0.213 0.000 2.336 641 I HA 0.305 4.472 4.170 -0.005 0.000 0.292 641 I C 0.430 176.416 176.117 -0.218 0.000 0.991 641 I CA -0.786 60.308 61.300 -0.344 0.000 1.227 641 I CB 1.040 38.519 38.000 -0.868 0.000 1.366 641 I HN -0.072 nan 8.210 nan 0.000 0.466 642 E N 4.815 124.939 120.200 -0.127 0.000 2.256 642 E HA 0.451 4.797 4.350 -0.005 0.000 0.268 642 E C -1.208 175.346 176.600 -0.076 0.000 0.877 642 E CA -0.749 55.622 56.400 -0.048 0.000 0.757 642 E CB 3.273 33.014 29.700 0.068 0.000 1.183 642 E HN 0.221 nan 8.360 nan 0.000 0.418 643 V N 2.530 122.420 119.914 -0.039 0.000 2.432 643 V HA 0.353 4.470 4.120 -0.005 0.000 0.275 643 V C 0.787 176.889 176.094 0.013 0.000 1.043 643 V CA -0.229 62.062 62.300 -0.015 0.000 0.925 643 V CB 1.182 33.019 31.823 0.023 0.000 0.985 643 V HN 0.791 nan 8.190 nan 0.000 0.466 644 G N 2.306 111.113 108.800 0.013 0.000 2.532 644 G HA2 0.229 4.186 3.960 -0.005 0.000 0.291 644 G HA3 0.229 4.186 3.960 -0.005 0.000 0.291 644 G C 0.365 175.279 174.900 0.024 0.000 1.349 644 G CA -0.327 44.785 45.100 0.020 0.000 1.038 644 G HN 0.663 nan 8.290 nan 0.000 0.518 645 D N -0.507 119.904 120.400 0.018 0.000 2.363 645 D HA -0.014 4.623 4.640 -0.005 0.000 0.220 645 D C 1.795 178.110 176.300 0.025 0.000 0.994 645 D CA 0.712 54.723 54.000 0.020 0.000 0.890 645 D CB 0.359 41.166 40.800 0.012 0.000 0.906 645 D HN 0.182 nan 8.370 nan 0.000 0.530 646 S N -0.653 115.063 115.700 0.026 0.000 2.572 646 S HA 0.306 4.772 4.470 -0.005 0.000 0.228 646 S C 1.460 176.121 174.600 0.102 0.000 0.963 646 S CA 0.205 58.440 58.200 0.058 0.000 0.939 646 S CB 1.036 64.243 63.200 0.010 0.000 0.804 646 S HN 0.369 nan 8.310 nan 0.000 0.480 647 G N 2.750 111.592 108.800 0.071 0.000 2.160 647 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.251 647 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.251 647 G C -0.009 174.938 174.900 0.078 0.000 1.008 647 G CA 0.340 45.483 45.100 0.072 0.000 0.724 647 G HN 0.582 nan 8.290 nan 0.000 0.514 648 Q N 0.374 120.218 119.800 0.073 0.000 2.205 648 Q HA 0.616 4.953 4.340 -0.005 0.000 0.249 648 Q C 0.230 176.245 176.000 0.025 0.000 0.948 648 Q CA -1.139 54.711 55.803 0.078 0.000 0.895 648 Q CB 1.295 30.085 28.738 0.088 0.000 1.249 648 Q HN 0.260 nan 8.270 nan 0.000 0.458 649 I N 2.287 122.863 120.570 0.011 0.000 2.517 649 I HA 0.068 4.235 4.170 -0.005 0.000 0.285 649 I C 0.774 176.913 176.117 0.037 0.000 1.106 649 I CA 0.108 61.387 61.300 -0.036 0.000 1.402 649 I CB -0.189 37.747 38.000 -0.108 0.000 1.399 649 I HN 0.511 nan 8.210 nan 0.000 0.535 650 K N 5.335 125.707 120.400 -0.046 0.000 2.448 650 K HA -0.037 4.280 4.320 -0.005 0.000 0.278 650 K C 0.985 177.442 176.600 -0.239 0.000 1.009 650 K CA 0.063 56.288 56.287 -0.103 0.000 0.995 650 K CB 1.136 33.578 32.500 -0.096 0.000 0.917 650 K HN 0.546 nan 8.250 nan 0.000 0.481 651 E N 3.028 122.954 120.200 -0.456 0.000 2.216 651 E HA -0.007 4.339 4.350 -0.005 0.000 0.192 651 E C -0.440 175.475 176.600 -1.142 0.000 0.973 651 E CA 0.373 56.196 56.400 -0.961 0.000 0.851 651 E CB 0.476 29.227 29.700 -1.581 0.000 0.804 651 E HN 0.425 nan 8.360 nan 0.000 0.477 652 W N -0.545 120.471 121.300 -0.472 0.000 2.864 652 W HA 0.218 4.874 4.660 -0.006 0.000 0.343 652 W C -0.158 175.967 176.519 -0.658 0.000 1.109 652 W CA -0.852 56.077 57.345 -0.693 0.000 1.192 652 W CB 0.404 29.357 29.460 -0.846 0.000 1.426 652 W HN 0.033 nan 8.180 nan 0.000 0.529 653 Y N 0.729 120.945 120.300 -0.140 0.000 2.571 653 Y HA -0.173 4.373 4.550 -0.005 0.000 0.294 653 Y C 2.031 177.954 175.900 0.037 0.000 1.141 653 Y CA 0.784 58.847 58.100 -0.061 0.000 1.308 653 Y CB -0.635 37.792 38.460 -0.055 0.000 1.002 653 Y HN 0.217 nan 8.280 nan 0.000 0.551 654 F N -0.090 119.978 119.950 0.197 0.000 2.797 654 F HA 0.228 4.752 4.527 -0.006 0.000 0.302 654 F C 0.577 176.412 175.800 0.059 0.000 1.130 654 F CA -1.298 56.764 58.000 0.103 0.000 1.387 654 F CB -1.294 37.738 39.000 0.053 0.000 1.107 654 F HN -0.053 nan 8.300 nan 0.000 0.577 655 E N 0.734 121.188 120.200 0.424 0.000 2.373 655 E HA 0.419 4.766 4.350 -0.005 0.000 0.267 655 E C 0.805 177.486 176.600 0.136 0.000 1.032 655 E CA 0.303 56.868 56.400 0.276 0.000 0.889 655 E CB 0.862 30.690 29.700 0.214 0.000 0.984 655 E HN 0.335 nan 8.360 nan 0.000 0.425 656 G N 3.041 111.882 108.800 0.067 0.000 2.583 656 G HA2 0.428 4.385 3.960 -0.005 0.000 0.214 656 G HA3 0.428 4.385 3.960 -0.005 0.000 0.214 656 G C -0.108 174.793 174.900 0.001 0.000 2.072 656 G CA 0.309 45.427 45.100 0.031 0.000 0.745 656 G HN 0.731 nan 8.290 nan 0.000 0.762 657 A N -0.318 122.486 122.820 -0.026 0.000 2.346 657 A HA 0.539 4.856 4.320 -0.005 0.000 0.252 657 A C 0.093 177.612 177.584 -0.108 0.000 1.089 657 A CA -0.393 51.612 52.037 -0.053 0.000 0.797 657 A CB 0.208 19.176 19.000 -0.053 0.000 1.047 657 A HN 0.889 nan 8.150 nan 0.000 0.494 658 L N 1.315 122.443 121.223 -0.157 0.000 2.559 658 L HA 0.394 4.731 4.340 -0.005 0.000 0.274 658 L C 1.358 177.979 176.870 -0.415 0.000 1.205 658 L CA 2.037 56.723 54.840 -0.257 0.000 0.907 658 L CB -0.289 41.557 42.059 -0.356 0.000 1.153 658 L HN 1.608 nan 8.230 nan 0.000 0.490 659 G N 2.519 110.911 108.800 -0.681 0.000 2.155 659 G HA2 -0.242 3.714 3.960 -0.005 0.000 0.257 659 G HA3 -0.242 3.714 3.960 -0.005 0.000 0.257 659 G C 0.288 174.881 174.900 -0.512 0.000 0.983 659 G CA 0.523 44.885 45.100 -1.229 0.000 0.676 659 G HN 0.589 nan 8.290 nan 0.000 0.528 660 K N -0.081 120.154 120.400 -0.275 0.000 2.385 660 K HA 0.526 4.842 4.320 -0.005 0.000 0.248 660 K C 0.304 176.846 176.600 -0.096 0.000 0.955 660 K CA -0.829 55.359 56.287 -0.166 0.000 0.816 660 K CB 1.834 34.261 32.500 -0.122 0.000 1.250 660 K HN 0.199 nan 8.250 nan 0.000 0.434 661 K N 1.173 121.498 120.400 -0.124 0.000 2.102 661 K HA 0.208 4.525 4.320 -0.005 0.000 0.244 661 K C 1.157 177.734 176.600 -0.039 0.000 1.021 661 K CA -0.364 55.866 56.287 -0.095 0.000 0.913 661 K CB 0.694 33.050 32.500 -0.240 0.000 1.062 661 K HN 0.363 nan 8.250 nan 0.000 0.485 662 K N 1.065 121.466 120.400 0.002 0.000 2.211 662 K HA -0.163 4.153 4.320 -0.005 0.000 0.204 662 K C 1.120 177.712 176.600 -0.013 0.000 1.047 662 K CA 1.701 57.995 56.287 0.012 0.000 0.935 662 K CB -0.072 32.450 32.500 0.038 0.000 0.728 662 K HN 0.603 nan 8.250 nan 0.000 0.452 663 D N -0.607 119.773 120.400 -0.034 0.000 2.349 663 D HA -0.018 4.619 4.640 -0.005 0.000 0.224 663 D C 1.147 177.422 176.300 -0.043 0.000 1.029 663 D CA 0.904 54.882 54.000 -0.038 0.000 0.879 663 D CB 0.201 40.973 40.800 -0.048 0.000 0.906 663 D HN 0.297 nan 8.370 nan 0.000 0.528 664 G N 0.181 108.951 108.800 -0.049 0.000 2.195 664 G HA2 -0.287 3.670 3.960 -0.005 0.000 0.246 664 G HA3 -0.287 3.670 3.960 -0.005 0.000 0.246 664 G C 0.430 175.290 174.900 -0.066 0.000 0.984 664 G CA 0.412 45.482 45.100 -0.050 0.000 0.633 664 G HN 0.819 nan 8.290 nan 0.000 0.525 665 S N 0.191 115.840 115.700 -0.085 0.000 2.614 665 S HA 0.602 5.069 4.470 -0.005 0.000 0.265 665 S C 0.461 174.986 174.600 -0.124 0.000 1.303 665 S CA 0.574 58.715 58.200 -0.098 0.000 1.000 665 S CB 1.300 64.433 63.200 -0.110 0.000 0.935 665 S HN 0.650 nan 8.310 nan 0.000 0.551 666 T N 2.035 116.523 114.554 -0.110 0.000 2.928 666 T HA 0.187 4.534 4.350 -0.005 0.000 0.305 666 T C 0.329 174.924 174.700 -0.175 0.000 1.035 666 T CA 0.009 62.042 62.100 -0.112 0.000 1.145 666 T CB -0.308 68.523 68.868 -0.062 0.000 0.963 666 T HN 0.511 nan 8.240 nan 0.000 0.545 667 I N 3.269 123.720 120.570 -0.198 0.000 2.347 667 I HA 0.047 4.214 4.170 -0.005 0.000 0.294 667 I C 0.884 176.903 176.117 -0.163 0.000 1.090 667 I CA -0.179 60.958 61.300 -0.272 0.000 1.314 667 I CB 0.320 38.118 38.000 -0.337 0.000 1.423 667 I HN 0.558 nan 8.210 nan 0.000 0.503 668 S N 4.927 120.524 115.700 -0.172 0.000 2.537 668 S HA 0.226 4.693 4.470 -0.005 0.000 0.286 668 S C 1.194 175.764 174.600 -0.050 0.000 1.299 668 S CA 0.640 58.788 58.200 -0.086 0.000 1.067 668 S CB 0.815 63.962 63.200 -0.088 0.000 0.864 668 S HN 1.074 nan 8.310 nan 0.000 0.494 669 G N 2.195 111.003 108.800 0.013 0.000 2.195 669 G HA2 -0.292 3.665 3.960 -0.005 0.000 0.246 669 G HA3 -0.292 3.665 3.960 -0.005 0.000 0.246 669 G C -0.036 174.902 174.900 0.064 0.000 0.984 669 G CA 0.102 45.230 45.100 0.047 0.000 0.633 669 G HN 0.766 nan 8.290 nan 0.000 0.525 670 Y N 2.030 122.300 120.300 -0.051 0.000 2.526 670 Y HA 0.459 5.006 4.550 -0.005 0.000 0.330 670 Y C 0.855 176.776 175.900 0.035 0.000 1.156 670 Y CA 0.283 58.386 58.100 0.004 0.000 1.419 670 Y CB 0.662 39.122 38.460 0.000 0.000 1.250 670 Y HN 0.325 nan 8.280 nan 0.000 0.540 671 Q N 5.858 125.309 119.800 -0.582 0.000 2.300 671 Q HA 0.244 4.581 4.340 -0.005 0.000 0.262 671 Q C 0.764 176.546 176.000 -0.364 0.000 1.109 671 Q CA 0.221 55.821 55.803 -0.338 0.000 0.905 671 Q CB 0.793 29.431 28.738 -0.166 0.000 1.280 671 Q HN 1.006 nan 8.270 nan 0.000 0.426 672 A N 4.037 126.848 122.820 -0.015 0.000 2.024 672 A HA -0.201 4.116 4.320 -0.005 0.000 0.220 672 A C 1.280 178.956 177.584 0.153 0.000 1.164 672 A CA 1.730 53.866 52.037 0.164 0.000 0.643 672 A CB -0.277 18.806 19.000 0.140 0.000 0.806 672 A HN 0.958 nan 8.150 nan 0.000 0.451 673 D N -1.341 119.112 120.400 0.087 0.000 2.363 673 D HA -0.082 4.554 4.640 -0.005 0.000 0.226 673 D C 0.354 176.743 176.300 0.149 0.000 1.020 673 D CA 0.646 54.715 54.000 0.115 0.000 0.892 673 D CB -0.608 40.248 40.800 0.094 0.000 0.900 673 D HN 0.396 nan 8.370 nan 0.000 0.531 674 N N -0.473 118.299 118.700 0.120 0.000 2.936 674 N HA -0.209 4.527 4.740 -0.005 0.000 0.236 674 N C -0.209 175.410 175.510 0.181 0.000 0.930 674 N CA 0.972 54.134 53.050 0.187 0.000 0.966 674 N CB -1.423 37.241 38.487 0.295 0.000 1.090 674 N HN 0.512 nan 8.380 nan 0.000 0.592 675 Q N 0.304 120.182 119.800 0.129 0.000 2.225 675 Q HA 0.092 4.429 4.340 -0.005 0.000 0.259 675 Q C -0.111 175.961 176.000 0.120 0.000 0.872 675 Q CA -0.325 55.560 55.803 0.138 0.000 1.042 675 Q CB 0.128 28.933 28.738 0.111 0.000 1.142 675 Q HN 0.372 nan 8.270 nan 0.000 0.463 676 H N 0.859 119.943 119.070 0.023 0.000 3.064 676 H HA -0.049 4.504 4.556 -0.005 0.000 0.329 676 H C 1.249 176.652 175.328 0.124 0.000 1.020 676 H CA 0.921 57.002 56.048 0.055 0.000 1.402 676 H CB 0.646 30.419 29.762 0.020 0.000 1.379 676 H HN 0.118 nan 8.280 nan 0.000 0.594 677 R N 2.400 122.626 120.500 -0.456 0.000 2.075 677 R HA -0.090 4.246 4.340 -0.005 0.000 0.232 677 R C 0.058 176.268 176.300 -0.150 0.000 1.126 677 R CA 0.937 56.866 56.100 -0.286 0.000 0.963 677 R CB -0.052 30.093 30.300 -0.260 0.000 0.858 677 R HN 0.733 nan 8.270 nan 0.000 0.435 678 H N -0.650 118.306 119.070 -0.191 0.000 2.615 678 H HA 0.164 4.717 4.556 -0.005 0.000 0.363 678 H C -0.164 175.324 175.328 0.267 0.000 1.148 678 H CA 0.571 56.767 56.048 0.246 0.000 1.401 678 H CB 0.985 30.908 29.762 0.269 0.000 1.461 678 H HN 0.082 nan 8.280 nan 0.000 0.588 679 M N 1.775 121.608 119.600 0.388 0.000 2.952 679 M HA 0.154 4.630 4.480 -0.005 0.000 0.259 679 M C 0.459 176.911 176.300 0.254 0.000 1.306 679 M CA -0.079 55.413 55.300 0.319 0.000 0.626 679 M CB 1.007 33.716 32.600 0.181 0.000 1.423 679 M HN 0.470 nan 8.290 nan 0.000 0.459 680 S N 0.058 115.905 115.700 0.246 0.000 2.447 680 S HA -0.109 4.358 4.470 -0.005 0.000 0.233 680 S C 1.666 176.332 174.600 0.110 0.000 1.006 680 S CA 1.183 59.421 58.200 0.063 0.000 0.957 680 S CB -0.375 62.665 63.200 -0.267 0.000 0.773 680 S HN 0.676 nan 8.310 nan 0.000 0.507 681 H N 0.322 119.319 119.070 -0.122 0.000 2.547 681 H HA 0.268 4.821 4.556 -0.006 0.000 0.266 681 H C 0.981 176.223 175.328 -0.143 0.000 0.988 681 H CA 0.096 56.039 56.048 -0.175 0.000 1.147 681 H CB -0.488 29.097 29.762 -0.294 0.000 1.365 681 H HN 0.354 nan 8.280 nan 0.000 0.589 682 L N 0.984 122.000 121.223 -0.344 0.000 2.769 682 L HA 0.198 4.535 4.340 -0.005 0.000 0.240 682 L C 1.651 178.427 176.870 -0.157 0.000 1.163 682 L CA -0.097 54.551 54.840 -0.319 0.000 0.962 682 L CB 0.218 42.069 42.059 -0.347 0.000 1.258 682 L HN 0.119 nan 8.230 nan 0.000 0.513 683 L N -0.002 121.133 121.223 -0.146 0.000 2.265 683 L HA -0.070 4.267 4.340 -0.005 0.000 0.215 683 L C 2.454 179.214 176.870 -0.183 0.000 1.117 683 L CA 1.178 55.912 54.840 -0.176 0.000 0.782 683 L CB -0.703 41.129 42.059 -0.380 0.000 0.914 683 L HN 0.392 nan 8.230 nan 0.000 0.441 684 G N 0.219 108.910 108.800 -0.182 0.000 2.484 684 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.218 684 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.218 684 G C 1.555 176.382 174.900 -0.122 0.000 1.130 684 G CA 0.342 45.343 45.100 -0.165 0.000 0.784 684 G HN 0.255 nan 8.290 nan 0.000 0.543 685 L N -1.491 119.665 121.223 -0.110 0.000 2.102 685 L HA 0.509 4.845 4.340 -0.005 0.000 0.202 685 L C 0.130 177.015 176.870 0.026 0.000 1.076 685 L CA 0.887 55.693 54.840 -0.056 0.000 0.761 685 L CB 0.069 42.073 42.059 -0.091 0.000 0.921 685 L HN 0.079 nan 8.230 nan 0.000 0.444 686 F N 0.076 119.952 119.950 -0.123 0.000 2.588 686 F HA 0.469 4.993 4.527 -0.005 0.000 0.318 686 F C -2.190 173.539 175.800 -0.117 0.000 1.155 686 F CA -1.720 56.193 58.000 -0.145 0.000 0.967 686 F CB 1.605 40.495 39.000 -0.183 0.000 1.236 686 F HN -0.168 nan 8.300 nan 0.000 0.455 687 P HA 0.170 nan 4.420 nan 0.000 0.245 687 P C 0.664 177.634 177.300 -0.551 0.000 1.206 687 P CA 0.403 62.655 63.100 -1.414 0.000 0.781 687 P CB 0.323 31.424 31.700 -0.998 0.000 0.994 688 G N 1.852 110.487 108.800 -0.275 0.000 2.611 688 G HA2 0.130 4.087 3.960 -0.005 0.000 0.273 688 G HA3 0.130 4.087 3.960 -0.005 0.000 0.273 688 G C 0.112 174.991 174.900 -0.036 0.000 1.305 688 G CA 0.009 45.051 45.100 -0.096 0.000 1.010 688 G HN 0.164 nan 8.290 nan 0.000 0.509 689 D N -1.256 119.191 120.400 0.078 0.000 2.571 689 D HA 0.043 4.679 4.640 -0.005 0.000 0.239 689 D C 1.492 177.874 176.300 0.137 0.000 1.267 689 D CA -0.516 53.545 54.000 0.103 0.000 0.823 689 D CB 0.260 41.130 40.800 0.117 0.000 1.056 689 D HN 0.174 nan 8.370 nan 0.000 0.494 690 L N 0.157 121.395 121.223 0.024 0.000 2.179 690 L HA 0.342 4.679 4.340 -0.005 0.000 0.208 690 L C 0.261 177.098 176.870 -0.055 0.000 1.096 690 L CA 1.249 55.951 54.840 -0.230 0.000 0.779 690 L CB -0.002 41.764 42.059 -0.489 0.000 0.922 690 L HN 0.080 nan 8.230 nan 0.000 0.443 691 I N 0.218 120.776 120.570 -0.020 0.000 2.439 691 I HA 0.306 4.473 4.170 -0.005 0.000 0.283 691 I C -0.384 175.752 176.117 0.032 0.000 1.023 691 I CA -0.308 61.017 61.300 0.041 0.000 1.100 691 I CB 1.366 39.343 38.000 -0.039 0.000 1.238 691 I HN 0.089 nan 8.210 nan 0.000 0.445 692 T N 1.596 116.182 114.554 0.053 0.000 2.887 692 T HA 0.404 4.751 4.350 -0.005 0.000 0.292 692 T C 0.656 175.390 174.700 0.056 0.000 1.087 692 T CA -0.656 61.476 62.100 0.053 0.000 1.009 692 T CB 1.894 70.805 68.868 0.072 0.000 1.203 692 T HN 0.317 nan 8.240 nan 0.000 0.518 693 I N 0.766 121.380 120.570 0.074 0.000 2.530 693 I HA -0.091 4.076 4.170 -0.005 0.000 0.257 693 I C 1.504 177.663 176.117 0.071 0.000 1.179 693 I CA 1.553 62.900 61.300 0.078 0.000 1.440 693 I CB -0.414 37.649 38.000 0.106 0.000 1.087 693 I HN 0.676 nan 8.210 nan 0.000 0.440 694 D N 0.155 120.606 120.400 0.085 0.000 2.363 694 D HA -0.058 4.578 4.640 -0.005 0.000 0.226 694 D C 0.394 176.671 176.300 -0.037 0.000 1.020 694 D CA 0.351 54.369 54.000 0.030 0.000 0.892 694 D CB -0.179 40.666 40.800 0.076 0.000 0.900 694 D HN 0.299 nan 8.370 nan 0.000 0.531 695 N N 0.419 119.100 118.700 -0.032 0.000 2.682 695 N HA 0.059 4.795 4.740 -0.005 0.000 0.252 695 N C 0.393 175.875 175.510 -0.046 0.000 1.081 695 N CA -0.204 52.791 53.050 -0.093 0.000 0.844 695 N CB 1.263 39.647 38.487 -0.173 0.000 1.167 695 N HN -0.357 nan 8.380 nan 0.000 0.523 696 S N 1.602 117.277 115.700 -0.042 0.000 2.382 696 S HA -0.144 4.322 4.470 -0.005 0.000 0.228 696 S C 1.462 176.070 174.600 0.012 0.000 1.027 696 S CA 0.888 59.082 58.200 -0.010 0.000 0.991 696 S CB 0.019 63.210 63.200 -0.015 0.000 0.823 696 S HN 0.739 nan 8.310 nan 0.000 0.469 697 E N -0.063 120.134 120.200 -0.005 0.000 2.038 697 E HA -0.201 4.146 4.350 -0.005 0.000 0.195 697 E C 1.615 178.326 176.600 0.185 0.000 1.000 697 E CA 1.312 57.746 56.400 0.056 0.000 0.803 697 E CB -0.159 29.551 29.700 0.017 0.000 0.750 697 E HN 0.511 nan 8.360 nan 0.000 0.448 698 Y N -0.225 120.047 120.300 -0.047 0.000 2.220 698 Y HA -0.124 4.423 4.550 -0.005 0.000 0.291 698 Y C 2.277 178.137 175.900 -0.066 0.000 1.129 698 Y CA 1.109 59.171 58.100 -0.064 0.000 1.161 698 Y CB -0.814 37.595 38.460 -0.085 0.000 0.997 698 Y HN 0.206 nan 8.280 nan 0.000 0.522 699 M N 0.589 120.255 119.600 0.111 0.000 2.117 699 M HA -0.164 4.313 4.480 -0.005 0.000 0.262 699 M C 1.406 177.706 176.300 -0.000 0.000 1.065 699 M CA 1.698 57.014 55.300 0.027 0.000 1.114 699 M CB -0.616 31.997 32.600 0.021 0.000 1.361 699 M HN 0.000 nan 8.290 nan 0.000 0.408 700 D N 0.137 120.550 120.400 0.021 0.000 2.123 700 D HA -0.100 4.536 4.640 -0.005 0.000 0.196 700 D C 1.970 178.274 176.300 0.006 0.000 0.992 700 D CA 1.803 55.810 54.000 0.013 0.000 0.833 700 D CB -0.431 40.383 40.800 0.024 0.000 0.954 700 D HN 0.500 nan 8.370 nan 0.000 0.455 701 A N 0.836 123.666 122.820 0.017 0.000 1.930 701 A HA 0.013 4.330 4.320 -0.005 0.000 0.217 701 A C 2.294 179.859 177.584 -0.033 0.000 1.175 701 A CA 2.020 54.060 52.037 0.006 0.000 0.627 701 A CB -0.628 18.371 19.000 -0.001 0.000 0.815 701 A HN 0.230 nan 8.150 nan 0.000 0.443 702 A N -0.077 122.697 122.820 -0.077 0.000 1.898 702 A HA -0.138 4.179 4.320 -0.005 0.000 0.216 702 A C 2.094 179.563 177.584 -0.191 0.000 1.181 702 A CA 1.748 53.697 52.037 -0.147 0.000 0.620 702 A CB -0.407 18.494 19.000 -0.166 0.000 0.819 702 A HN 0.534 nan 8.150 nan 0.000 0.442 703 K N -0.832 119.463 120.400 -0.174 0.000 2.057 703 K HA -0.103 4.214 4.320 -0.005 0.000 0.207 703 K C 2.099 178.640 176.600 -0.098 0.000 1.049 703 K CA 1.757 57.911 56.287 -0.221 0.000 0.931 703 K CB -0.405 32.032 32.500 -0.105 0.000 0.714 703 K HN 0.465 nan 8.250 nan 0.000 0.440 704 T N 0.701 115.243 114.554 -0.021 0.000 2.708 704 T HA -0.123 4.224 4.350 -0.005 0.000 0.266 704 T C 2.082 176.883 174.700 0.167 0.000 1.037 704 T CA 1.565 63.696 62.100 0.051 0.000 1.146 704 T CB -0.197 68.732 68.868 0.102 0.000 0.865 704 T HN 0.145 nan 8.240 nan 0.000 0.435 705 S N 1.285 117.067 115.700 0.138 0.000 2.359 705 S HA -0.012 4.454 4.470 -0.005 0.000 0.224 705 S C 2.044 176.750 174.600 0.178 0.000 1.035 705 S CA 0.967 59.285 58.200 0.198 0.000 1.018 705 S CB -0.520 62.724 63.200 0.073 0.000 0.876 705 S HN 0.342 nan 8.310 nan 0.000 0.448 706 L N 0.865 122.089 121.223 0.002 0.000 2.046 706 L HA -0.129 4.208 4.340 -0.005 0.000 0.208 706 L C 2.764 179.850 176.870 0.360 0.000 1.077 706 L CA 1.273 56.119 54.840 0.010 0.000 0.747 706 L CB -0.423 41.282 42.059 -0.589 0.000 0.896 706 L HN 0.235 nan 8.230 nan 0.000 0.432 707 R N -1.120 119.575 120.500 0.324 0.000 2.073 707 R HA -0.191 4.145 4.340 -0.005 0.000 0.234 707 R C 2.330 178.808 176.300 0.297 0.000 1.134 707 R CA 1.674 57.987 56.100 0.355 0.000 0.952 707 R CB -0.527 29.748 30.300 -0.042 0.000 0.850 707 R HN 0.257 nan 8.270 nan 0.000 0.433 708 Y N 0.292 120.736 120.300 0.241 0.000 2.181 708 Y HA -0.203 4.343 4.550 -0.006 0.000 0.288 708 Y C 2.554 178.603 175.900 0.249 0.000 1.146 708 Y CA 1.415 59.650 58.100 0.225 0.000 1.164 708 Y CB -0.192 38.386 38.460 0.197 0.000 0.982 708 Y HN -0.103 nan 8.280 nan 0.000 0.515 709 R N -1.039 119.707 120.500 0.410 0.000 2.115 709 R HA -0.029 4.307 4.340 -0.005 0.000 0.226 709 R C 1.688 178.137 176.300 0.250 0.000 1.100 709 R CA 1.381 57.664 56.100 0.306 0.000 0.980 709 R CB -0.616 29.846 30.300 0.270 0.000 0.875 709 R HN 0.328 nan 8.270 nan 0.000 0.445 710 C N -1.257 118.235 119.300 0.319 0.000 3.065 710 C HA 0.422 4.879 4.460 -0.005 0.000 0.285 710 C C -0.208 174.740 174.990 -0.069 0.000 1.257 710 C CA -0.669 58.443 59.018 0.157 0.000 1.691 710 C CB -0.484 27.420 27.740 0.273 0.000 2.089 710 C HN 0.127 nan 8.230 nan 0.000 0.630 711 F N 1.008 121.012 119.950 0.090 0.000 2.508 711 F HA 0.405 4.929 4.527 -0.005 0.000 0.325 711 F C 0.160 175.992 175.800 0.052 0.000 1.090 711 F CA -0.666 57.359 58.000 0.040 0.000 0.945 711 F CB 1.023 40.036 39.000 0.021 0.000 1.156 711 F HN -0.244 nan 8.300 nan 0.000 0.463 712 K N 2.500 123.014 120.400 0.189 0.000 2.389 712 K HA 0.542 4.859 4.320 -0.005 0.000 0.261 712 K C 0.561 177.250 176.600 0.147 0.000 1.014 712 K CA 0.210 56.583 56.287 0.143 0.000 0.920 712 K CB 0.763 33.310 32.500 0.078 0.000 1.149 712 K HN 0.862 nan 8.250 nan 0.000 0.444 713 G N 4.008 112.891 108.800 0.139 0.000 2.596 713 G HA2 -0.356 3.600 3.960 -0.005 0.000 0.304 713 G HA3 -0.356 3.600 3.960 -0.005 0.000 0.304 713 G C 0.314 175.282 174.900 0.114 0.000 1.189 713 G CA 0.296 45.456 45.100 0.101 0.000 0.986 713 G HN 0.699 nan 8.290 nan 0.000 0.548 714 N N 0.539 119.302 118.700 0.106 0.000 2.230 714 N HA 0.274 5.011 4.740 -0.005 0.000 0.202 714 N C 0.079 175.756 175.510 0.278 0.000 1.119 714 N CA 0.606 53.725 53.050 0.114 0.000 0.851 714 N CB 1.017 39.523 38.487 0.032 0.000 0.990 714 N HN 0.405 nan 8.380 nan 0.000 0.497 715 V N 2.127 122.200 119.914 0.264 0.000 2.350 715 V HA 0.224 4.341 4.120 -0.005 0.000 0.276 715 V C 0.211 176.290 176.094 -0.025 0.000 1.028 715 V CA -1.027 61.353 62.300 0.132 0.000 0.860 715 V CB 1.629 33.476 31.823 0.040 0.000 0.990 715 V HN 0.061 nan 8.190 nan 0.000 0.453 716 L N 5.820 126.847 121.223 -0.327 0.000 2.513 716 L HA 0.224 4.560 4.340 -0.005 0.000 0.272 716 L C 0.323 176.920 176.870 -0.455 0.000 1.187 716 L CA 0.811 55.122 54.840 -0.882 0.000 0.895 716 L CB 0.431 41.995 42.059 -0.825 0.000 1.147 716 L HN 0.602 nan 8.230 nan 0.000 0.483 717 Q N 3.336 122.885 119.800 -0.419 0.000 2.235 717 Q HA 0.269 4.605 4.340 -0.005 0.000 0.250 717 Q C -0.109 175.754 176.000 -0.229 0.000 0.909 717 Q CA -0.223 55.439 55.803 -0.235 0.000 0.910 717 Q CB 1.609 30.256 28.738 -0.152 0.000 1.223 717 Q HN 0.779 nan 8.270 nan 0.000 0.432 718 S N 1.996 117.587 115.700 -0.181 0.000 2.593 718 S HA 0.288 4.755 4.470 -0.005 0.000 0.269 718 S C -0.105 174.380 174.600 -0.192 0.000 1.334 718 S CA -0.162 57.929 58.200 -0.182 0.000 1.015 718 S CB 0.434 63.544 63.200 -0.150 0.000 0.912 718 S HN 0.633 nan 8.310 nan 0.000 0.541 719 N N -0.793 117.772 118.700 -0.225 0.000 3.344 719 N HA 0.500 5.236 4.740 -0.005 0.000 0.296 719 N C -1.583 173.729 175.510 -0.331 0.000 1.571 719 N CA -0.239 52.645 53.050 -0.277 0.000 0.844 719 N CB 1.838 40.146 38.487 -0.298 0.000 1.718 719 N HN 0.788 nan 8.380 nan 0.000 0.589 720 T N -2.772 111.527 114.554 -0.425 0.000 2.865 720 T HA 0.671 5.018 4.350 -0.005 0.000 0.294 720 T C 0.770 175.173 174.700 -0.495 0.000 1.119 720 T CA 0.251 62.071 62.100 -0.467 0.000 1.007 720 T CB 1.356 69.937 68.868 -0.479 0.000 1.225 720 T HN 0.861 nan 8.240 nan 0.000 0.515 721 G N 1.278 109.853 108.800 -0.375 0.000 2.634 721 G HA2 -0.339 3.618 3.960 -0.005 0.000 0.309 721 G HA3 -0.339 3.618 3.960 -0.005 0.000 0.309 721 G C 1.027 175.802 174.900 -0.209 0.000 1.265 721 G CA 0.988 45.947 45.100 -0.234 0.000 0.998 721 G HN 1.467 nan 8.290 nan 0.000 0.551 722 W N 0.457 121.707 121.300 -0.083 0.000 2.374 722 W HA 0.209 4.866 4.660 -0.005 0.000 0.288 722 W C 2.341 178.837 176.519 -0.040 0.000 1.218 722 W CA 2.177 59.476 57.345 -0.078 0.000 1.245 722 W CB -1.432 27.960 29.460 -0.113 0.000 1.126 722 W HN 0.890 nan 8.180 nan 0.000 0.545 723 A N 1.670 123.944 122.820 -0.910 0.000 1.873 723 A HA -0.126 4.190 4.320 -0.005 0.000 0.215 723 A C 2.088 179.504 177.584 -0.279 0.000 1.186 723 A CA 1.876 53.439 52.037 -0.790 0.000 0.616 723 A CB -0.935 17.349 19.000 -1.193 0.000 0.823 723 A HN 0.211 nan 8.150 nan 0.000 0.442 724 I N 0.214 120.610 120.570 -0.289 0.000 2.315 724 I HA -0.080 4.087 4.170 -0.005 0.000 0.248 724 I C 2.339 178.433 176.117 -0.039 0.000 1.117 724 I CA 1.398 62.601 61.300 -0.162 0.000 1.404 724 I CB -0.683 37.191 38.000 -0.209 0.000 1.071 724 I HN 0.239 nan 8.210 nan 0.000 0.419 725 G N -0.622 108.185 108.800 0.012 0.000 2.446 725 G HA2 -0.351 3.606 3.960 -0.005 0.000 0.217 725 G HA3 -0.351 3.606 3.960 -0.005 0.000 0.217 725 G C 1.583 176.635 174.900 0.253 0.000 1.168 725 G CA 0.922 46.107 45.100 0.141 0.000 0.771 725 G HN 0.522 nan 8.290 nan 0.000 0.551 726 Q N -0.016 119.984 119.800 0.334 0.000 2.084 726 Q HA -0.093 4.244 4.340 -0.005 0.000 0.202 726 Q C 2.739 178.839 176.000 0.168 0.000 0.978 726 Q CA 1.148 57.191 55.803 0.400 0.000 0.844 726 Q CB -0.098 28.953 28.738 0.521 0.000 0.898 726 Q HN 0.461 nan 8.270 nan 0.000 0.426 727 R N -0.059 120.524 120.500 0.138 0.000 2.081 727 R HA -0.085 4.252 4.340 -0.005 0.000 0.235 727 R C 2.374 178.787 176.300 0.189 0.000 1.131 727 R CA 1.488 57.691 56.100 0.172 0.000 0.960 727 R CB -0.299 30.093 30.300 0.153 0.000 0.856 727 R HN 0.337 nan 8.270 nan 0.000 0.436 728 I N 1.218 121.835 120.570 0.079 0.000 2.127 728 I HA -0.332 3.835 4.170 -0.005 0.000 0.241 728 I C 2.001 178.100 176.117 -0.030 0.000 1.075 728 I CA 1.339 62.664 61.300 0.043 0.000 1.334 728 I CB -0.410 37.602 38.000 0.020 0.000 1.040 728 I HN 0.236 nan 8.210 nan 0.000 0.405 729 N N 0.322 118.889 118.700 -0.222 0.000 2.166 729 N HA -0.126 4.611 4.740 -0.005 0.000 0.186 729 N C 2.024 177.203 175.510 -0.552 0.000 1.019 729 N CA 1.575 54.221 53.050 -0.672 0.000 0.856 729 N CB -0.099 37.397 38.487 -1.651 0.000 0.993 729 N HN 0.285 nan 8.380 nan 0.000 0.426 730 S N 0.242 115.767 115.700 -0.291 0.000 2.356 730 S HA -0.107 4.360 4.470 -0.005 0.000 0.223 730 S C 1.617 176.156 174.600 -0.101 0.000 1.032 730 S CA 0.838 58.968 58.200 -0.116 0.000 1.005 730 S CB -0.417 62.730 63.200 -0.088 0.000 0.867 730 S HN 0.460 nan 8.310 nan 0.000 0.449 731 W N 1.806 123.072 121.300 -0.056 0.000 2.363 731 W HA -0.012 4.645 4.660 -0.005 0.000 0.296 731 W C 2.693 179.193 176.519 -0.032 0.000 1.212 731 W CA 0.733 58.062 57.345 -0.027 0.000 1.260 731 W CB -0.495 28.951 29.460 -0.024 0.000 1.131 731 W HN 0.297 nan 8.180 nan 0.000 0.530 732 A N 0.334 123.241 122.820 0.145 0.000 1.908 732 A HA -0.202 4.115 4.320 -0.005 0.000 0.218 732 A C 2.027 179.655 177.584 0.073 0.000 1.181 732 A CA 1.387 53.473 52.037 0.082 0.000 0.627 732 A CB -0.566 18.450 19.000 0.027 0.000 0.818 732 A HN 0.111 nan 8.150 nan 0.000 0.445 733 R N -0.108 120.427 120.500 0.059 0.000 2.193 733 R HA -0.088 4.249 4.340 -0.005 0.000 0.229 733 R C 2.193 178.519 176.300 0.043 0.000 1.110 733 R CA 1.677 57.819 56.100 0.069 0.000 0.988 733 R CB -1.351 29.010 30.300 0.101 0.000 0.871 733 R HN 0.796 nan 8.270 nan 0.000 0.458 734 T N -3.347 111.226 114.554 0.032 0.000 3.055 734 T HA 0.068 4.415 4.350 -0.005 0.000 0.265 734 T C 1.488 176.232 174.700 0.074 0.000 1.111 734 T CA 1.079 63.194 62.100 0.026 0.000 1.118 734 T CB 0.172 69.037 68.868 -0.005 0.000 0.909 734 T HN 0.385 nan 8.240 nan 0.000 0.501 735 G N 1.239 110.091 108.800 0.086 0.000 2.199 735 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.254 735 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.254 735 G C -0.039 174.912 174.900 0.084 0.000 0.982 735 G CA 0.131 45.275 45.100 0.073 0.000 0.632 735 G HN 0.689 nan 8.290 nan 0.000 0.529 736 D N 1.260 121.751 120.400 0.153 0.000 2.470 736 D HA 0.469 5.105 4.640 -0.005 0.000 0.226 736 D C 1.696 178.050 176.300 0.089 0.000 1.196 736 D CA 0.526 54.619 54.000 0.155 0.000 0.979 736 D CB 0.055 41.040 40.800 0.308 0.000 1.059 736 D HN 0.226 nan 8.370 nan 0.000 0.515 737 G N 3.438 112.243 108.800 0.008 0.000 2.422 737 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.218 737 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.218 737 G C 1.534 176.377 174.900 -0.094 0.000 1.140 737 G CA 0.111 45.172 45.100 -0.065 0.000 0.775 737 G HN 0.381 nan 8.290 nan 0.000 0.545 738 N N 0.637 119.292 118.700 -0.075 0.000 2.106 738 N HA -0.084 4.653 4.740 -0.005 0.000 0.188 738 N C 2.381 177.837 175.510 -0.090 0.000 1.029 738 N CA 1.681 54.689 53.050 -0.070 0.000 0.848 738 N CB -0.827 37.626 38.487 -0.056 0.000 1.007 738 N HN 0.195 nan 8.380 nan 0.000 0.423 739 T N 0.607 115.065 114.554 -0.160 0.000 2.746 739 T HA -0.074 4.273 4.350 -0.005 0.000 0.267 739 T C 1.896 176.379 174.700 -0.362 0.000 1.039 739 T CA 1.553 63.429 62.100 -0.372 0.000 1.142 739 T CB -0.520 67.897 68.868 -0.751 0.000 0.866 739 T HN 0.309 nan 8.240 nan 0.000 0.444 740 T N 1.140 115.592 114.554 -0.170 0.000 2.684 740 T HA -0.143 4.204 4.350 -0.005 0.000 0.267 740 T C 1.638 176.267 174.700 -0.117 0.000 1.036 740 T CA 1.415 63.467 62.100 -0.080 0.000 1.148 740 T CB -0.569 68.312 68.868 0.021 0.000 0.863 740 T HN 0.479 nan 8.240 nan 0.000 0.436 741 Y N 1.890 122.043 120.300 -0.245 0.000 2.181 741 Y HA -0.170 4.377 4.550 -0.005 0.000 0.288 741 Y C 2.534 178.327 175.900 -0.178 0.000 1.146 741 Y CA 1.346 59.280 58.100 -0.276 0.000 1.164 741 Y CB -0.487 37.710 38.460 -0.439 0.000 0.982 741 Y HN 0.243 nan 8.280 nan 0.000 0.515 742 Q N -0.161 119.449 119.800 -0.316 0.000 2.181 742 Q HA -0.189 4.148 4.340 -0.005 0.000 0.205 742 Q C 2.255 178.040 176.000 -0.358 0.000 0.980 742 Q CA 1.851 57.441 55.803 -0.356 0.000 0.862 742 Q CB -0.215 28.374 28.738 -0.249 0.000 0.905 742 Q HN 0.532 nan 8.270 nan 0.000 0.429 743 L N -0.512 120.517 121.223 -0.324 0.000 2.109 743 L HA -0.146 4.190 4.340 -0.005 0.000 0.207 743 L C 2.283 179.025 176.870 -0.213 0.000 1.086 743 L CA 0.503 55.188 54.840 -0.260 0.000 0.760 743 L CB -0.325 41.603 42.059 -0.217 0.000 0.910 743 L HN 0.068 nan 8.230 nan 0.000 0.437 744 V N -0.084 119.698 119.914 -0.220 0.000 2.287 744 V HA -0.299 3.817 4.120 -0.005 0.000 0.248 744 V C 2.402 178.385 176.094 -0.184 0.000 1.053 744 V CA 1.852 64.058 62.300 -0.156 0.000 1.027 744 V CB -0.479 31.300 31.823 -0.072 0.000 0.646 744 V HN 0.457 nan 8.190 nan 0.000 0.447 745 E N -0.105 119.898 120.200 -0.329 0.000 2.058 745 E HA -0.235 4.112 4.350 -0.005 0.000 0.194 745 E C 2.230 178.802 176.600 -0.046 0.000 0.997 745 E CA 1.487 57.804 56.400 -0.138 0.000 0.801 745 E CB -0.234 29.285 29.700 -0.302 0.000 0.746 745 E HN 0.510 nan 8.360 nan 0.000 0.450 746 L N 0.685 121.820 121.223 -0.146 0.000 2.093 746 L HA -0.216 4.121 4.340 -0.005 0.000 0.208 746 L C 2.793 179.579 176.870 -0.142 0.000 1.085 746 L CA 1.085 55.844 54.840 -0.135 0.000 0.755 746 L CB -0.336 41.614 42.059 -0.182 0.000 0.904 746 L HN 0.200 nan 8.230 nan 0.000 0.435 747 Q N 0.121 119.828 119.800 -0.156 0.000 2.050 747 Q HA -0.239 4.098 4.340 -0.005 0.000 0.202 747 Q C 2.276 178.172 176.000 -0.174 0.000 0.980 747 Q CA 1.576 57.271 55.803 -0.180 0.000 0.840 747 Q CB 0.024 28.675 28.738 -0.146 0.000 0.898 747 Q HN 0.328 nan 8.270 nan 0.000 0.424 748 L N 0.850 121.988 121.223 -0.142 0.000 2.083 748 L HA -0.150 4.187 4.340 -0.005 0.000 0.209 748 L C 2.151 178.959 176.870 -0.104 0.000 1.083 748 L CA 1.754 56.477 54.840 -0.196 0.000 0.752 748 L CB -0.304 41.493 42.059 -0.437 0.000 0.899 748 L HN 0.106 nan 8.230 nan 0.000 0.433 749 K N -0.919 119.483 120.400 0.004 0.000 2.167 749 K HA 0.036 4.353 4.320 -0.005 0.000 0.203 749 K C 1.007 177.606 176.600 -0.002 0.000 1.052 749 K CA 0.900 57.224 56.287 0.061 0.000 0.956 749 K CB 0.090 32.639 32.500 0.082 0.000 0.735 749 K HN 0.307 nan 8.250 nan 0.000 0.451 750 N N -1.160 117.483 118.700 -0.094 0.000 2.143 750 N HA 0.120 4.857 4.740 -0.005 0.000 0.222 750 N C -0.132 175.119 175.510 -0.431 0.000 1.264 750 N CA 0.219 53.187 53.050 -0.137 0.000 0.897 750 N CB 1.983 40.388 38.487 -0.136 0.000 1.092 750 N HN 0.013 nan 8.380 nan 0.000 0.516 751 A N 0.145 122.618 122.820 -0.578 0.000 2.538 751 A HA 0.401 4.718 4.320 -0.005 0.000 0.276 751 A C -0.267 176.860 177.584 -0.761 0.000 0.908 751 A CA -0.143 51.217 52.037 -1.128 0.000 1.042 751 A CB 0.442 19.021 19.000 -0.701 0.000 1.218 751 A HN -0.053 nan 8.150 nan 0.000 0.517 752 M N 0.767 120.187 119.600 -0.300 0.000 2.259 752 M HA 0.471 4.947 4.480 -0.005 0.000 0.304 752 M C -1.179 175.241 176.300 0.200 0.000 1.019 752 M CA -0.534 54.744 55.300 -0.037 0.000 0.922 752 M CB 1.140 33.708 32.600 -0.054 0.000 1.600 752 M HN 0.249 nan 8.290 nan 0.000 0.433 753 Y N 0.623 121.069 120.300 0.245 0.000 2.260 753 Y HA 0.341 4.889 4.550 -0.004 0.000 0.339 753 Y C 1.619 177.491 175.900 -0.046 0.000 1.317 753 Y CA -0.092 58.043 58.100 0.058 0.000 1.514 753 Y CB 0.255 38.691 38.460 -0.040 0.000 1.382 753 Y HN 0.816 nan 8.280 nan 0.000 0.581 754 A N 0.910 123.774 122.820 0.072 0.000 2.019 754 A HA -0.223 4.094 4.320 -0.005 0.000 0.219 754 A C 1.497 179.051 177.584 -0.051 0.000 1.164 754 A CA 1.777 53.806 52.037 -0.013 0.000 0.644 754 A CB -0.957 17.998 19.000 -0.074 0.000 0.805 754 A HN 0.781 nan 8.150 nan 0.000 0.449 755 N N -0.051 118.523 118.700 -0.211 0.000 2.314 755 N HA 0.147 4.883 4.740 -0.005 0.000 0.200 755 N C 0.391 175.711 175.510 -0.315 0.000 1.135 755 N CA 0.427 53.260 53.050 -0.362 0.000 0.835 755 N CB -0.536 37.528 38.487 -0.706 0.000 0.989 755 N HN 0.473 nan 8.380 nan 0.000 0.478 756 L N -1.633 119.514 121.223 -0.126 0.000 4.429 756 L HA -0.220 4.117 4.340 -0.005 0.000 0.422 756 L C -0.690 176.357 176.870 0.294 0.000 1.149 756 L CA 0.293 55.124 54.840 -0.014 0.000 0.972 756 L CB -2.136 39.764 42.059 -0.266 0.000 2.059 756 L HN 0.043 nan 8.230 nan 0.000 0.870 757 F N 1.864 121.855 119.950 0.068 0.000 2.495 757 F HA 0.171 4.695 4.527 -0.006 0.000 0.365 757 F C 1.290 177.110 175.800 0.033 0.000 1.090 757 F CA -0.755 57.244 58.000 -0.002 0.000 1.235 757 F CB 0.401 39.215 39.000 -0.310 0.000 1.119 757 F HN 0.049 nan 8.300 nan 0.000 0.562 758 D N 3.294 123.836 120.400 0.237 0.000 2.443 758 D HA 0.175 4.812 4.640 -0.005 0.000 0.239 758 D C -0.951 175.373 176.300 0.040 0.000 1.136 758 D CA 0.243 54.259 54.000 0.027 0.000 0.879 758 D CB 0.358 41.139 40.800 -0.031 0.000 1.195 758 D HN 0.373 nan 8.370 nan 0.000 0.443 759 Y N 0.916 121.059 120.300 -0.261 0.000 2.545 759 Y HA 0.355 4.902 4.550 -0.004 0.000 0.348 759 Y C 0.120 175.945 175.900 -0.125 0.000 1.002 759 Y CA -0.945 56.990 58.100 -0.276 0.000 1.039 759 Y CB 1.169 39.152 38.460 -0.794 0.000 1.271 759 Y HN 0.531 nan 8.280 nan 0.000 0.467 760 H N 2.126 121.272 119.070 0.126 0.000 2.451 760 H HA 0.427 4.980 4.556 -0.006 0.000 0.294 760 H C 0.288 175.715 175.328 0.164 0.000 1.028 760 H CA 0.962 57.050 56.048 0.066 0.000 1.349 760 H CB 0.209 30.047 29.762 0.126 0.000 1.444 760 H HN 0.884 nan 8.280 nan 0.000 0.538 761 A N 2.609 125.686 122.820 0.428 0.000 2.313 761 A HA 0.364 4.681 4.320 -0.005 0.000 0.261 761 A C -1.909 175.986 177.584 0.519 0.000 1.090 761 A CA -1.057 51.269 52.037 0.483 0.000 0.807 761 A CB 0.186 19.362 19.000 0.293 0.000 1.055 761 A HN 0.303 nan 8.150 nan 0.000 0.492 762 P HA 0.208 nan 4.420 nan 0.000 0.312 762 P C -0.040 177.466 177.300 0.343 0.000 1.308 762 P CA -0.566 62.697 63.100 0.271 0.000 0.743 762 P CB 0.149 31.924 31.700 0.125 0.000 1.364 763 F N 0.971 121.028 119.950 0.178 0.000 2.604 763 F HA 0.018 4.542 4.527 -0.005 0.000 0.393 763 F C -0.193 175.657 175.800 0.082 0.000 1.043 763 F CA 0.755 58.833 58.000 0.130 0.000 1.227 763 F CB -0.387 38.683 39.000 0.116 0.000 1.016 763 F HN 0.073 nan 8.300 nan 0.000 0.556 764 Q N 7.474 127.075 119.800 -0.331 0.000 2.263 764 Q HA 0.245 4.582 4.340 -0.005 0.000 0.266 764 Q C 0.729 176.438 176.000 -0.486 0.000 1.002 764 Q CA -0.400 55.091 55.803 -0.520 0.000 0.790 764 Q CB 1.936 30.563 28.738 -0.185 0.000 1.272 764 Q HN 0.992 nan 8.270 nan 0.000 0.435 765 I N 1.999 122.190 120.570 -0.632 0.000 2.676 765 I HA -0.236 3.930 4.170 -0.005 0.000 0.259 765 I C 1.128 177.071 176.117 -0.290 0.000 1.194 765 I CA 1.192 62.265 61.300 -0.377 0.000 1.473 765 I CB 0.410 38.235 38.000 -0.291 0.000 1.096 765 I HN 0.639 nan 8.210 nan 0.000 0.443 766 D N 0.597 120.906 120.400 -0.153 0.000 2.126 766 D HA -0.255 4.382 4.640 -0.005 0.000 0.190 766 D C 2.112 178.396 176.300 -0.027 0.000 1.001 766 D CA 1.612 55.589 54.000 -0.039 0.000 0.841 766 D CB -1.329 39.431 40.800 -0.067 0.000 0.949 766 D HN 0.332 nan 8.370 nan 0.000 0.446 767 G N -0.390 108.376 108.800 -0.056 0.000 2.448 767 G HA2 -0.291 3.666 3.960 -0.005 0.000 0.219 767 G HA3 -0.291 3.666 3.960 -0.005 0.000 0.219 767 G C 1.542 176.415 174.900 -0.045 0.000 1.127 767 G CA 0.808 45.887 45.100 -0.035 0.000 0.766 767 G HN 0.346 nan 8.290 nan 0.000 0.552 768 N N -0.081 118.533 118.700 -0.143 0.000 2.084 768 N HA -0.071 4.666 4.740 -0.005 0.000 0.190 768 N C 1.775 177.200 175.510 -0.142 0.000 1.030 768 N CA 1.280 54.217 53.050 -0.189 0.000 0.849 768 N CB -0.247 38.009 38.487 -0.385 0.000 1.012 768 N HN 0.287 nan 8.380 nan 0.000 0.423 769 F N 0.458 120.403 119.950 -0.009 0.000 2.186 769 F HA 0.098 4.622 4.527 -0.005 0.000 0.299 769 F C 2.510 178.356 175.800 0.078 0.000 1.090 769 F CA 0.812 58.801 58.000 -0.019 0.000 1.307 769 F CB -1.164 37.767 39.000 -0.115 0.000 1.019 769 F HN 0.054 nan 8.300 nan 0.000 0.489 770 G N -0.203 108.754 108.800 0.261 0.000 2.422 770 G HA2 -0.305 3.652 3.960 -0.005 0.000 0.218 770 G HA3 -0.305 3.652 3.960 -0.005 0.000 0.218 770 G C 1.751 176.800 174.900 0.248 0.000 1.146 770 G CA 0.917 46.210 45.100 0.322 0.000 0.769 770 G HN 0.349 nan 8.290 nan 0.000 0.547 771 N N 0.580 119.382 118.700 0.170 0.000 2.058 771 N HA -0.134 4.603 4.740 -0.005 0.000 0.191 771 N C 2.163 177.820 175.510 0.246 0.000 1.037 771 N CA 1.990 55.141 53.050 0.168 0.000 0.848 771 N CB -0.519 38.041 38.487 0.122 0.000 1.021 771 N HN 0.215 nan 8.380 nan 0.000 0.422 772 T N -0.061 114.620 114.554 0.211 0.000 2.684 772 T HA -0.137 4.209 4.350 -0.005 0.000 0.267 772 T C 2.027 176.917 174.700 0.318 0.000 1.036 772 T CA 1.664 63.874 62.100 0.184 0.000 1.148 772 T CB -0.533 68.304 68.868 -0.052 0.000 0.863 772 T HN 0.316 nan 8.240 nan 0.000 0.436 773 S N 0.510 116.387 115.700 0.295 0.000 2.368 773 S HA -0.054 4.413 4.470 -0.005 0.000 0.225 773 S C 2.387 177.135 174.600 0.247 0.000 1.030 773 S CA 1.694 60.083 58.200 0.315 0.000 0.999 773 S CB -0.877 62.584 63.200 0.435 0.000 0.844 773 S HN 0.594 nan 8.310 nan 0.000 0.459 774 G N 0.758 109.677 108.800 0.198 0.000 2.418 774 G HA2 -0.132 3.825 3.960 -0.005 0.000 0.217 774 G HA3 -0.132 3.825 3.960 -0.005 0.000 0.217 774 G C 1.490 176.497 174.900 0.179 0.000 1.158 774 G CA 1.086 46.253 45.100 0.112 0.000 0.771 774 G HN 0.472 nan 8.290 nan 0.000 0.545 775 V N 1.377 121.463 119.914 0.286 0.000 2.295 775 V HA -0.167 3.950 4.120 -0.005 0.000 0.246 775 V C 2.598 178.842 176.094 0.250 0.000 1.049 775 V CA 2.189 64.680 62.300 0.318 0.000 1.024 775 V CB -0.481 31.566 31.823 0.373 0.000 0.648 775 V HN 0.250 nan 8.190 nan 0.000 0.447 776 D N -0.083 120.502 120.400 0.307 0.000 2.116 776 D HA -0.162 4.475 4.640 -0.005 0.000 0.193 776 D C 2.266 178.678 176.300 0.186 0.000 0.998 776 D CA 1.227 55.380 54.000 0.254 0.000 0.836 776 D CB -0.238 40.739 40.800 0.295 0.000 0.951 776 D HN 0.424 nan 8.370 nan 0.000 0.449 777 E N -0.195 120.110 120.200 0.174 0.000 2.204 777 E HA -0.071 4.275 4.350 -0.005 0.000 0.194 777 E C 2.183 178.836 176.600 0.089 0.000 0.989 777 E CA 0.306 56.786 56.400 0.133 0.000 0.824 777 E CB -0.177 29.591 29.700 0.112 0.000 0.756 777 E HN 0.446 nan 8.360 nan 0.000 0.477 778 M N -0.079 119.575 119.600 0.091 0.000 2.175 778 M HA -0.088 4.389 4.480 -0.005 0.000 0.264 778 M C 2.070 178.376 176.300 0.010 0.000 1.063 778 M CA 1.191 56.519 55.300 0.048 0.000 1.119 778 M CB -0.062 32.574 32.600 0.060 0.000 1.377 778 M HN 0.066 nan 8.290 nan 0.000 0.415 779 L N -1.017 120.229 121.223 0.038 0.000 2.416 779 L HA 0.198 4.535 4.340 -0.005 0.000 0.216 779 L C 0.006 176.873 176.870 -0.004 0.000 1.098 779 L CA -0.090 54.733 54.840 -0.027 0.000 0.840 779 L CB 0.292 42.358 42.059 0.010 0.000 0.981 779 L HN 0.202 nan 8.230 nan 0.000 0.462 780 L N -0.105 121.146 121.223 0.047 0.000 2.588 780 L HA 0.411 4.748 4.340 -0.005 0.000 0.263 780 L C -1.398 175.514 176.870 0.071 0.000 0.935 780 L CA -0.090 54.784 54.840 0.057 0.000 0.891 780 L CB 1.929 44.045 42.059 0.094 0.000 1.318 780 L HN -0.040 nan 8.230 nan 0.000 0.409 781 Q N 1.711 121.528 119.800 0.028 0.000 2.387 781 Q HA 0.780 5.117 4.340 -0.005 0.000 0.273 781 Q C -0.427 175.524 176.000 -0.082 0.000 1.089 781 Q CA -0.109 55.698 55.803 0.007 0.000 0.824 781 Q CB 2.318 31.052 28.738 -0.006 0.000 1.367 781 Q HN 0.706 nan 8.270 nan 0.000 0.443 782 S N -0.906 114.728 115.700 -0.109 0.000 3.088 782 S HA 0.046 4.513 4.470 -0.005 0.000 0.249 782 S C 0.117 174.578 174.600 -0.232 0.000 0.877 782 S CA -0.465 57.610 58.200 -0.208 0.000 1.184 782 S CB -0.134 62.981 63.200 -0.141 0.000 1.170 782 S HN 0.761 nan 8.310 nan 0.000 0.603 783 N N 0.892 119.476 118.700 -0.193 0.000 2.282 783 N HA 0.130 4.867 4.740 -0.005 0.000 0.185 783 N C 0.366 175.805 175.510 -0.118 0.000 1.099 783 N CA -0.052 52.922 53.050 -0.127 0.000 0.878 783 N CB 0.455 38.905 38.487 -0.062 0.000 0.993 783 N HN 0.310 nan 8.380 nan 0.000 0.481 784 S N -0.250 115.308 115.700 -0.237 0.000 2.707 784 S HA 0.486 4.953 4.470 -0.005 0.000 0.276 784 S C -0.564 174.071 174.600 0.057 0.000 1.179 784 S CA -0.164 57.981 58.200 -0.090 0.000 0.992 784 S CB 1.039 64.216 63.200 -0.038 0.000 1.030 784 S HN 0.229 nan 8.310 nan 0.000 0.554 785 T N 2.442 117.161 114.554 0.275 0.000 2.812 785 T HA 0.431 4.778 4.350 -0.005 0.000 0.282 785 T C -1.179 173.797 174.700 0.460 0.000 0.990 785 T CA -0.216 62.109 62.100 0.375 0.000 0.960 785 T CB 0.501 69.494 68.868 0.208 0.000 0.948 785 T HN 0.457 nan 8.240 nan 0.000 0.438 786 F N 2.693 122.832 119.950 0.315 0.000 2.399 786 F HA 0.558 5.082 4.527 -0.006 0.000 0.334 786 F C 0.092 175.981 175.800 0.148 0.000 1.097 786 F CA -0.257 57.785 58.000 0.070 0.000 1.076 786 F CB 1.210 40.023 39.000 -0.311 0.000 1.162 786 F HN 0.381 nan 8.300 nan 0.000 0.495 787 T N 5.164 119.549 114.554 -0.282 0.000 2.815 787 T HA 0.229 4.575 4.350 -0.005 0.000 0.289 787 T C -0.906 173.631 174.700 -0.271 0.000 1.000 787 T CA -0.813 61.215 62.100 -0.120 0.000 0.958 787 T CB 0.756 69.555 68.868 -0.115 0.000 0.944 787 T HN 0.615 nan 8.240 nan 0.000 0.442 788 D N 1.447 121.912 120.400 0.109 0.000 2.398 788 D HA 0.094 4.730 4.640 -0.005 0.000 0.247 788 D C 1.586 177.899 176.300 0.022 0.000 1.227 788 D CA -0.421 53.657 54.000 0.131 0.000 0.980 788 D CB 0.325 41.353 40.800 0.380 0.000 1.106 788 D HN 0.434 nan 8.370 nan 0.000 0.493 789 T N -3.438 111.130 114.554 0.024 0.000 3.007 789 T HA 0.007 4.354 4.350 -0.005 0.000 0.270 789 T C 1.674 176.382 174.700 0.012 0.000 1.107 789 T CA 0.728 62.827 62.100 -0.001 0.000 1.118 789 T CB -0.500 68.369 68.868 0.001 0.000 0.889 789 T HN 0.518 nan 8.240 nan 0.000 0.506 790 A N 0.721 123.564 122.820 0.038 0.000 2.208 790 A HA 0.585 4.902 4.320 -0.005 0.000 0.209 790 A C 2.090 179.684 177.584 0.018 0.000 1.161 790 A CA 0.626 52.682 52.037 0.031 0.000 0.782 790 A CB -0.947 18.082 19.000 0.048 0.000 0.816 790 A HN 1.306 nan 8.150 nan 0.000 0.477 791 G N -0.940 107.869 108.800 0.015 0.000 2.176 791 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.232 791 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.232 791 G C 0.247 175.138 174.900 -0.015 0.000 0.986 791 G CA 0.392 45.489 45.100 -0.006 0.000 0.643 791 G HN 0.674 nan 8.290 nan 0.000 0.522 792 K N 1.459 121.861 120.400 0.002 0.000 2.322 792 K HA 0.557 4.874 4.320 -0.005 0.000 0.283 792 K C 0.399 176.896 176.600 -0.171 0.000 1.042 792 K CA 0.001 56.226 56.287 -0.103 0.000 0.958 792 K CB 0.341 32.784 32.500 -0.094 0.000 0.984 792 K HN 0.262 nan 8.250 nan 0.000 0.473 793 K N 3.657 123.875 120.400 -0.303 0.000 2.164 793 K HA 0.284 4.600 4.320 -0.005 0.000 0.258 793 K C -1.112 175.220 176.600 -0.446 0.000 0.951 793 K CA -0.721 55.450 56.287 -0.194 0.000 0.844 793 K CB 1.190 33.655 32.500 -0.059 0.000 1.099 793 K HN 0.469 nan 8.250 nan 0.000 0.435 794 Y N 0.832 121.225 120.300 0.155 0.000 2.363 794 Y HA 0.239 4.785 4.550 -0.005 0.000 0.325 794 Y C -0.239 175.782 175.900 0.201 0.000 0.984 794 Y CA -1.140 57.038 58.100 0.132 0.000 1.248 794 Y CB 1.248 39.747 38.460 0.066 0.000 1.116 794 Y HN 0.139 nan 8.280 nan 0.000 0.470 795 V N 3.774 123.817 119.914 0.215 0.000 2.546 795 V HA 0.149 4.266 4.120 -0.005 0.000 0.284 795 V C 0.067 176.239 176.094 0.130 0.000 1.050 795 V CA -0.797 61.602 62.300 0.165 0.000 0.981 795 V CB 0.967 32.844 31.823 0.090 0.000 0.990 795 V HN 0.938 nan 8.190 nan 0.000 0.474 796 N N 2.317 121.056 118.700 0.065 0.000 2.740 796 N HA -0.207 4.530 4.740 -0.005 0.000 0.248 796 N C -0.404 175.064 175.510 -0.070 0.000 1.062 796 N CA 0.955 53.969 53.050 -0.060 0.000 0.704 796 N CB -1.470 36.980 38.487 -0.062 0.000 0.968 796 N HN 0.876 nan 8.380 nan 0.000 0.547 797 Y N -1.733 118.562 120.300 -0.009 0.000 2.480 797 Y HA 0.378 4.924 4.550 -0.005 0.000 0.338 797 Y C 0.816 176.644 175.900 -0.119 0.000 1.220 797 Y CA -0.662 57.386 58.100 -0.087 0.000 1.430 797 Y CB 0.425 38.831 38.460 -0.090 0.000 1.311 797 Y HN 0.049 nan 8.280 nan 0.000 0.575 798 T N 4.499 119.010 114.554 -0.072 0.000 2.752 798 T HA 0.081 4.428 4.350 -0.005 0.000 0.295 798 T C -0.340 174.359 174.700 -0.001 0.000 0.923 798 T CA -0.442 61.582 62.100 -0.126 0.000 1.112 798 T CB -0.310 68.410 68.868 -0.247 0.000 0.884 798 T HN 0.611 nan 8.240 nan 0.000 0.525 799 N N 4.202 122.886 118.700 -0.028 0.000 2.511 799 N HA 0.211 4.948 4.740 -0.005 0.000 0.249 799 N C -0.738 174.773 175.510 0.003 0.000 0.971 799 N CA -0.766 52.313 53.050 0.049 0.000 0.938 799 N CB 0.325 38.843 38.487 0.052 0.000 1.131 799 N HN 0.368 nan 8.380 nan 0.000 0.505 800 I N 4.639 125.198 120.570 -0.019 0.000 2.416 800 I HA 0.188 4.354 4.170 -0.005 0.000 0.288 800 I C 0.984 177.063 176.117 -0.063 0.000 1.051 800 I CA -0.366 60.908 61.300 -0.043 0.000 1.375 800 I CB 0.120 38.076 38.000 -0.073 0.000 1.407 800 I HN 0.590 nan 8.210 nan 0.000 0.516 801 L N 7.446 128.616 121.223 -0.089 0.000 3.713 801 L HA -0.185 4.151 4.340 -0.005 0.000 0.499 801 L C -1.434 175.378 176.870 -0.096 0.000 1.281 801 L CA -0.311 54.436 54.840 -0.156 0.000 0.796 801 L CB -1.087 40.823 42.059 -0.249 0.000 1.535 801 L HN 0.523 nan 8.230 nan 0.000 0.851 802 P HA -0.041 nan 4.420 nan 0.000 0.225 802 P C 0.684 177.979 177.300 -0.009 0.000 1.156 802 P CA 1.681 64.778 63.100 -0.004 0.000 0.787 802 P CB 0.420 32.134 31.700 0.024 0.000 0.802 803 A N -0.069 122.730 122.820 -0.035 0.000 3.415 803 A HA 0.378 4.694 4.320 -0.005 0.000 0.244 803 A C -0.616 176.909 177.584 -0.098 0.000 0.988 803 A CA -0.425 51.591 52.037 -0.035 0.000 0.991 803 A CB -0.641 18.365 19.000 0.010 0.000 1.240 803 A HN 0.093 nan 8.150 nan 0.000 0.541 804 L N 1.829 122.965 121.223 -0.144 0.000 2.361 804 L HA 0.532 4.869 4.340 -0.005 0.000 0.278 804 L C -2.476 174.265 176.870 -0.216 0.000 1.113 804 L CA -1.442 53.267 54.840 -0.218 0.000 0.849 804 L CB 0.337 42.207 42.059 -0.315 0.000 1.155 804 L HN 0.178 nan 8.230 nan 0.000 0.452 805 P HA 0.159 nan 4.420 nan 0.000 0.271 805 P C -0.283 176.847 177.300 -0.283 0.000 1.216 805 P CA -0.199 62.652 63.100 -0.414 0.000 0.776 805 P CB 0.625 31.783 31.700 -0.904 0.000 0.881 806 D N 1.956 122.237 120.400 -0.198 0.000 2.218 806 D HA -0.141 4.496 4.640 -0.005 0.000 0.204 806 D C 1.839 178.070 176.300 -0.115 0.000 0.976 806 D CA 1.364 55.301 54.000 -0.104 0.000 0.853 806 D CB -0.467 40.291 40.800 -0.070 0.000 0.939 806 D HN 0.381 nan 8.370 nan 0.000 0.481 807 A N 0.182 122.820 122.820 -0.304 0.000 2.070 807 A HA -0.137 4.179 4.320 -0.005 0.000 0.220 807 A C 0.442 178.037 177.584 0.019 0.000 1.159 807 A CA 0.603 52.452 52.037 -0.313 0.000 0.656 807 A CB -0.353 18.124 19.000 -0.872 0.000 0.800 807 A HN 0.163 nan 8.150 nan 0.000 0.453 808 W N -0.571 120.662 121.300 -0.112 0.000 2.147 808 W HA 0.668 5.324 4.660 -0.006 0.000 0.325 808 W C 1.075 177.753 176.519 0.265 0.000 0.855 808 W CA -1.310 56.086 57.345 0.087 0.000 1.642 808 W CB -0.895 28.670 29.460 0.176 0.000 1.750 808 W HN 0.340 nan 8.180 nan 0.000 0.359 809 A N 1.394 124.417 122.820 0.338 0.000 1.972 809 A HA 0.263 4.580 4.320 -0.005 0.000 0.219 809 A C 1.245 179.031 177.584 0.336 0.000 1.169 809 A CA 1.595 53.798 52.037 0.276 0.000 0.635 809 A CB -0.248 18.835 19.000 0.139 0.000 0.810 809 A HN 0.388 nan 8.150 nan 0.000 0.446 810 G N -3.355 105.533 108.800 0.145 0.000 2.659 810 G HA2 0.638 4.595 3.960 -0.005 0.000 0.296 810 G HA3 0.638 4.595 3.960 -0.005 0.000 0.296 810 G C -0.407 174.055 174.900 -0.730 0.000 1.369 810 G CA -0.062 44.860 45.100 -0.296 0.000 0.937 810 G HN 1.256 nan 8.290 nan 0.000 0.485 811 G N -0.940 106.969 108.800 -1.485 0.000 2.315 811 G HA2 0.707 4.664 3.960 -0.005 0.000 0.294 811 G HA3 0.707 4.664 3.960 -0.005 0.000 0.294 811 G C -0.789 173.167 174.900 -1.574 0.000 1.300 811 G CA 0.568 44.804 45.100 -1.439 0.000 0.843 811 G HN 1.975 nan 8.290 nan 0.000 0.527 812 S N -2.197 112.949 115.700 -0.923 0.000 2.550 812 S HA 0.848 5.315 4.470 -0.005 0.000 0.270 812 S C -1.534 173.014 174.600 -0.086 0.000 1.145 812 S CA -0.355 57.610 58.200 -0.392 0.000 0.852 812 S CB 1.880 64.948 63.200 -0.220 0.000 1.119 812 S HN 2.121 nan 8.310 nan 0.000 0.465 813 V N 1.447 121.433 119.914 0.119 0.000 2.971 813 V HA 0.918 5.035 4.120 -0.005 0.000 0.309 813 V C -1.169 174.984 176.094 0.098 0.000 1.130 813 V CA 0.147 62.512 62.300 0.108 0.000 0.964 813 V CB 2.213 34.134 31.823 0.164 0.000 1.029 813 V HN 1.638 nan 8.190 nan 0.000 0.427 814 S N 3.107 118.850 115.700 0.072 0.000 2.549 814 S HA 0.827 5.294 4.470 -0.005 0.000 0.280 814 S C 0.408 175.057 174.600 0.081 0.000 1.109 814 S CA 0.105 58.351 58.200 0.076 0.000 0.905 814 S CB 1.660 64.892 63.200 0.054 0.000 1.081 814 S HN 2.583 nan 8.310 nan 0.000 0.477 815 G N 0.879 109.735 108.800 0.092 0.000 2.157 815 G HA2 -0.187 3.770 3.960 -0.005 0.000 0.239 815 G HA3 -0.187 3.770 3.960 -0.005 0.000 0.239 815 G C -0.074 174.894 174.900 0.114 0.000 0.982 815 G CA 0.035 45.190 45.100 0.092 0.000 0.650 815 G HN 0.825 nan 8.290 nan 0.000 0.527 816 L N 0.102 121.405 121.223 0.134 0.000 2.476 816 L HA 0.539 4.876 4.340 -0.005 0.000 0.264 816 L C 0.746 177.723 176.870 0.179 0.000 1.224 816 L CA -0.516 54.420 54.840 0.160 0.000 0.821 816 L CB 0.935 43.094 42.059 0.167 0.000 1.101 816 L HN -0.029 nan 8.230 nan 0.000 0.488 817 V N 0.604 120.649 119.914 0.217 0.000 2.540 817 V HA 0.656 4.773 4.120 -0.005 0.000 0.302 817 V C 0.072 176.409 176.094 0.405 0.000 1.035 817 V CA -0.659 61.811 62.300 0.284 0.000 0.873 817 V CB 1.579 33.566 31.823 0.273 0.000 0.992 817 V HN 0.878 nan 8.190 nan 0.000 0.428 818 A N 4.342 127.364 122.820 0.335 0.000 2.320 818 A HA 0.759 5.075 4.320 -0.005 0.000 0.334 818 A C 0.162 177.784 177.584 0.064 0.000 1.147 818 A CA -0.798 51.371 52.037 0.220 0.000 0.820 818 A CB 0.713 19.798 19.000 0.141 0.000 1.218 818 A HN 0.851 nan 8.150 nan 0.000 0.482 819 R N 0.045 120.346 120.500 -0.332 0.000 2.638 819 R HA 0.311 4.648 4.340 -0.005 0.000 0.268 819 R C 1.290 177.545 176.300 -0.075 0.000 1.006 819 R CA 1.542 57.350 56.100 -0.488 0.000 1.088 819 R CB 0.119 30.091 30.300 -0.547 0.000 0.950 819 R HN 1.630 nan 8.270 nan 0.000 0.419 820 G N 1.465 110.182 108.800 -0.138 0.000 2.195 820 G HA2 -0.336 3.621 3.960 -0.005 0.000 0.246 820 G HA3 -0.336 3.621 3.960 -0.005 0.000 0.246 820 G C 0.096 174.810 174.900 -0.311 0.000 0.984 820 G CA 0.061 45.116 45.100 -0.076 0.000 0.633 820 G HN 0.727 nan 8.290 nan 0.000 0.525 821 N N -1.206 117.384 118.700 -0.182 0.000 2.729 821 N HA -0.143 4.594 4.740 -0.005 0.000 0.259 821 N C -0.606 174.684 175.510 -0.366 0.000 1.119 821 N CA 1.227 54.161 53.050 -0.192 0.000 0.679 821 N CB -1.637 36.721 38.487 -0.214 0.000 0.892 821 N HN 0.638 nan 8.380 nan 0.000 0.558 822 F N 0.058 120.028 119.950 0.033 0.000 2.507 822 F HA 0.412 4.936 4.527 -0.006 0.000 0.325 822 F C 1.044 176.896 175.800 0.088 0.000 1.116 822 F CA -0.570 57.464 58.000 0.056 0.000 0.930 822 F CB 1.771 40.791 39.000 0.035 0.000 1.146 822 F HN -0.115 nan 8.300 nan 0.000 0.447 823 T N 3.139 117.846 114.554 0.254 0.000 2.845 823 T HA 0.559 4.906 4.350 -0.005 0.000 0.288 823 T C -0.442 174.379 174.700 0.202 0.000 0.980 823 T CA -0.511 61.708 62.100 0.197 0.000 1.071 823 T CB 1.230 70.182 68.868 0.141 0.000 0.941 823 T HN 0.276 nan 8.240 nan 0.000 0.487 824 V N 2.403 122.420 119.914 0.172 0.000 2.487 824 V HA 0.780 4.897 4.120 -0.005 0.000 0.298 824 V C 0.473 176.645 176.094 0.130 0.000 1.028 824 V CA -0.780 61.609 62.300 0.149 0.000 0.860 824 V CB 1.887 33.790 31.823 0.134 0.000 0.991 824 V HN 1.052 nan 8.190 nan 0.000 0.427 825 G N 1.497 110.371 108.800 0.122 0.000 2.495 825 G HA2 0.678 4.635 3.960 -0.005 0.000 0.318 825 G HA3 0.678 4.635 3.960 -0.005 0.000 0.318 825 G C -0.928 174.049 174.900 0.129 0.000 1.257 825 G CA -0.570 44.600 45.100 0.117 0.000 0.962 825 G HN 0.659 nan 8.290 nan 0.000 0.483 826 T N -0.173 114.482 114.554 0.168 0.000 2.956 826 T HA 0.688 5.035 4.350 -0.005 0.000 0.312 826 T C -0.760 174.115 174.700 0.292 0.000 1.151 826 T CA -0.311 61.919 62.100 0.216 0.000 1.024 826 T CB 1.723 70.718 68.868 0.212 0.000 1.140 826 T HN 0.474 nan 8.240 nan 0.000 0.473 827 T N 4.404 119.104 114.554 0.244 0.000 2.841 827 T HA 0.743 5.090 4.350 -0.005 0.000 0.283 827 T C -1.214 173.663 174.700 0.296 0.000 1.000 827 T CA -0.613 61.572 62.100 0.142 0.000 0.977 827 T CB 0.642 69.523 68.868 0.022 0.000 0.979 827 T HN 0.705 nan 8.240 nan 0.000 0.446 828 W N 1.454 122.776 121.300 0.038 0.000 3.031 828 W HA 0.864 5.521 4.660 -0.006 0.000 0.337 828 W C -1.365 175.178 176.519 0.041 0.000 1.187 828 W CA -1.129 56.247 57.345 0.051 0.000 1.166 828 W CB 1.367 30.863 29.460 0.060 0.000 1.437 828 W HN 0.605 nan 8.180 nan 0.000 0.551 829 K N 1.643 122.170 120.400 0.212 0.000 2.523 829 K HA 0.288 4.605 4.320 -0.005 0.000 0.257 829 K C -0.421 176.274 176.600 0.158 0.000 0.932 829 K CA -0.761 55.583 56.287 0.096 0.000 0.812 829 K CB 1.208 33.728 32.500 0.032 0.000 1.326 829 K HN 0.821 nan 8.250 nan 0.000 0.433 830 N N 2.048 120.825 118.700 0.129 0.000 2.716 830 N HA -0.257 4.480 4.740 -0.005 0.000 0.250 830 N C 0.383 175.981 175.510 0.148 0.000 1.033 830 N CA 0.859 53.979 53.050 0.116 0.000 0.727 830 N CB -0.926 37.605 38.487 0.074 0.000 0.950 830 N HN 1.017 nan 8.380 nan 0.000 0.541 831 G N -1.221 107.719 108.800 0.233 0.000 2.168 831 G HA2 -0.373 3.583 3.960 -0.005 0.000 0.263 831 G HA3 -0.373 3.583 3.960 -0.005 0.000 0.263 831 G C -0.137 174.854 174.900 0.153 0.000 0.977 831 G CA 0.965 46.178 45.100 0.189 0.000 0.659 831 G HN 0.529 nan 8.290 nan 0.000 0.533 832 K N -0.174 120.355 120.400 0.215 0.000 2.422 832 K HA 0.726 5.043 4.320 -0.005 0.000 0.251 832 K C 0.255 177.023 176.600 0.280 0.000 0.933 832 K CA -0.355 56.050 56.287 0.196 0.000 0.798 832 K CB 2.175 34.775 32.500 0.166 0.000 1.238 832 K HN 0.600 nan 8.250 nan 0.000 0.428 833 A N 1.144 124.122 122.820 0.262 0.000 2.520 833 A HA 0.093 4.409 4.320 -0.005 0.000 0.245 833 A C 1.004 178.794 177.584 0.344 0.000 1.072 833 A CA 0.397 52.607 52.037 0.288 0.000 0.761 833 A CB -0.198 18.876 19.000 0.123 0.000 1.004 833 A HN 0.886 nan 8.150 nan 0.000 0.499 834 T N -0.698 114.022 114.554 0.276 0.000 2.990 834 T HA 0.309 4.656 4.350 -0.005 0.000 0.249 834 T C 0.358 175.182 174.700 0.206 0.000 1.039 834 T CA 0.649 62.878 62.100 0.215 0.000 1.036 834 T CB 0.041 68.984 68.868 0.125 0.000 0.994 834 T HN 0.761 nan 8.240 nan 0.000 0.489 835 E N 0.283 120.597 120.200 0.190 0.000 2.354 835 E HA 0.529 4.876 4.350 -0.005 0.000 0.283 835 E C -2.148 174.526 176.600 0.124 0.000 0.938 835 E CA -0.741 55.747 56.400 0.147 0.000 0.777 835 E CB 2.706 32.467 29.700 0.101 0.000 1.222 835 E HN 0.069 nan 8.360 nan 0.000 0.423 836 V N 3.746 123.717 119.914 0.095 0.000 2.540 836 V HA 0.551 4.668 4.120 -0.005 0.000 0.302 836 V C -0.426 175.727 176.094 0.098 0.000 1.035 836 V CA -0.763 61.585 62.300 0.080 0.000 0.873 836 V CB 1.797 33.636 31.823 0.027 0.000 0.992 836 V HN 0.597 nan 8.190 nan 0.000 0.428 837 R N 3.684 124.249 120.500 0.108 0.000 2.310 837 R HA 0.615 4.951 4.340 -0.005 0.000 0.324 837 R C -1.333 175.062 176.300 0.158 0.000 0.955 837 R CA -0.697 55.477 56.100 0.122 0.000 0.830 837 R CB 1.845 32.203 30.300 0.096 0.000 1.154 837 R HN 0.526 nan 8.270 nan 0.000 0.458 838 L N 2.641 123.998 121.223 0.223 0.000 2.318 838 L HA 0.336 4.673 4.340 -0.005 0.000 0.277 838 L C -0.749 176.351 176.870 0.382 0.000 1.008 838 L CA 0.027 55.040 54.840 0.289 0.000 0.846 838 L CB 1.940 44.177 42.059 0.296 0.000 1.220 838 L HN 0.494 nan 8.230 nan 0.000 0.423 839 T N 2.719 117.460 114.554 0.311 0.000 2.728 839 T HA 0.200 4.547 4.350 -0.005 0.000 0.296 839 T C 0.142 175.031 174.700 0.315 0.000 0.940 839 T CA -0.127 62.133 62.100 0.267 0.000 1.013 839 T CB 0.832 69.792 68.868 0.154 0.000 0.912 839 T HN 0.574 nan 8.240 nan 0.000 0.484 840 S N 2.948 118.860 115.700 0.352 0.000 2.422 840 S HA 0.160 4.627 4.470 -0.005 0.000 0.283 840 S C 1.020 175.601 174.600 -0.031 0.000 1.163 840 S CA -0.680 57.602 58.200 0.136 0.000 1.054 840 S CB -0.183 63.184 63.200 0.277 0.000 0.967 840 S HN 0.664 nan 8.310 nan 0.000 0.499 841 N N 3.490 122.082 118.700 -0.180 0.000 2.424 841 N HA 0.135 4.871 4.740 -0.005 0.000 0.178 841 N C 1.020 176.449 175.510 -0.135 0.000 1.060 841 N CA 0.152 53.135 53.050 -0.112 0.000 0.901 841 N CB 0.242 38.678 38.487 -0.085 0.000 0.979 841 N HN 0.380 nan 8.380 nan 0.000 0.451 842 K N -0.566 119.694 120.400 -0.232 0.000 2.477 842 K HA 0.247 4.563 4.320 -0.005 0.000 0.208 842 K C 0.610 177.127 176.600 -0.138 0.000 1.117 842 K CA 0.174 56.355 56.287 -0.177 0.000 1.039 842 K CB 1.344 33.717 32.500 -0.212 0.000 0.937 842 K HN 0.135 nan 8.250 nan 0.000 0.570 843 G N 2.708 111.428 108.800 -0.134 0.000 2.147 843 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.244 843 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.244 843 G C -0.033 174.845 174.900 -0.036 0.000 1.005 843 G CA 0.210 45.288 45.100 -0.036 0.000 0.713 843 G HN 0.057 nan 8.290 nan 0.000 0.515 844 K N 0.350 120.685 120.400 -0.108 0.000 2.258 844 K HA 0.254 4.571 4.320 -0.005 0.000 0.264 844 K C 0.869 177.546 176.600 0.127 0.000 1.007 844 K CA -0.522 55.765 56.287 0.000 0.000 0.941 844 K CB 0.536 33.023 32.500 -0.023 0.000 0.966 844 K HN 0.570 nan 8.250 nan 0.000 0.480 845 Q N 0.695 120.536 119.800 0.070 0.000 2.283 845 Q HA 0.082 4.419 4.340 -0.005 0.000 0.301 845 Q C -0.815 175.139 176.000 -0.077 0.000 1.063 845 Q CA -0.024 55.770 55.803 -0.015 0.000 0.952 845 Q CB 0.537 29.272 28.738 -0.005 0.000 1.166 845 Q HN 0.588 nan 8.270 nan 0.000 0.381 846 A N 3.170 125.726 122.820 -0.440 0.000 2.331 846 A HA 0.672 4.988 4.320 -0.005 0.000 0.283 846 A C -0.807 176.364 177.584 -0.688 0.000 1.142 846 A CA 0.089 51.618 52.037 -0.847 0.000 0.812 846 A CB 0.997 19.004 19.000 -1.655 0.000 1.074 846 A HN 0.789 nan 8.150 nan 0.000 0.497 847 A N 2.466 124.979 122.820 -0.511 0.000 2.446 847 A HA 0.594 4.911 4.320 -0.005 0.000 0.282 847 A C -1.073 176.326 177.584 -0.307 0.000 1.102 847 A CA -0.326 51.491 52.037 -0.367 0.000 0.737 847 A CB 0.998 19.875 19.000 -0.205 0.000 1.212 847 A HN 1.086 nan 8.150 nan 0.000 0.434 848 V N 2.901 122.643 119.914 -0.286 0.000 2.407 848 V HA 0.418 4.535 4.120 -0.005 0.000 0.291 848 V C 0.119 176.090 176.094 -0.206 0.000 1.018 848 V CA -0.650 61.540 62.300 -0.184 0.000 0.842 848 V CB 1.635 33.399 31.823 -0.098 0.000 0.996 848 V HN 0.871 nan 8.190 nan 0.000 0.426 849 K N 4.644 124.969 120.400 -0.126 0.000 2.156 849 K HA 0.669 4.986 4.320 -0.005 0.000 0.271 849 K C -1.018 175.525 176.600 -0.096 0.000 0.995 849 K CA -0.602 55.605 56.287 -0.133 0.000 0.890 849 K CB 1.160 33.648 32.500 -0.019 0.000 1.073 849 K HN 0.652 nan 8.250 nan 0.000 0.454 850 I N 4.475 124.966 120.570 -0.132 0.000 2.428 850 I HA 0.081 4.247 4.170 -0.005 0.000 0.279 850 I C 0.829 176.903 176.117 -0.071 0.000 1.040 850 I CA -0.424 60.779 61.300 -0.162 0.000 1.171 850 I CB 1.723 39.485 38.000 -0.397 0.000 1.312 850 I HN 0.763 nan 8.210 nan 0.000 0.470 851 T N 3.575 118.108 114.554 -0.034 0.000 2.777 851 T HA -0.074 4.273 4.350 -0.005 0.000 0.266 851 T C 1.253 175.953 174.700 0.000 0.000 1.040 851 T CA 1.165 63.265 62.100 -0.000 0.000 1.141 851 T CB 0.079 68.954 68.868 0.011 0.000 0.868 851 T HN 0.633 nan 8.240 nan 0.000 0.444 852 A N 0.600 123.407 122.820 -0.021 0.000 3.056 852 A HA 0.620 4.937 4.320 -0.005 0.000 0.274 852 A C 1.310 178.938 177.584 0.072 0.000 1.661 852 A CA 0.203 52.242 52.037 0.004 0.000 1.363 852 A CB -0.913 18.056 19.000 -0.051 0.000 1.139 852 A HN 0.566 nan 8.150 nan 0.000 0.598 853 G N -0.200 108.667 108.800 0.112 0.000 3.382 853 G HA2 0.407 4.364 3.960 -0.005 0.000 0.214 853 G HA3 0.407 4.364 3.960 -0.005 0.000 0.214 853 G C 0.920 175.986 174.900 0.277 0.000 1.025 853 G CA 0.592 45.839 45.100 0.245 0.000 0.869 853 G HN 2.389 nan 8.290 nan 0.000 0.458 854 G N 0.124 109.029 108.800 0.175 0.000 3.421 854 G HA2 0.362 4.319 3.960 -0.005 0.000 0.656 854 G HA3 0.362 4.319 3.960 -0.005 0.000 0.656 854 G C 0.994 176.024 174.900 0.216 0.000 1.007 854 G CA 0.815 45.999 45.100 0.139 0.000 0.811 854 G HN 1.813 nan 8.290 nan 0.000 0.433 855 A N 2.518 125.373 122.820 0.059 0.000 2.024 855 A HA -0.111 4.206 4.320 -0.005 0.000 0.220 855 A C 2.437 180.112 177.584 0.152 0.000 1.164 855 A CA 2.258 54.319 52.037 0.039 0.000 0.643 855 A CB -0.174 18.765 19.000 -0.102 0.000 0.806 855 A HN 1.551 nan 8.150 nan 0.000 0.451 856 Q N 0.357 120.214 119.800 0.095 0.000 2.364 856 Q HA -0.172 4.165 4.340 -0.005 0.000 0.209 856 Q C 0.636 176.683 176.000 0.078 0.000 0.977 856 Q CA 1.935 57.776 55.803 0.064 0.000 0.885 856 Q CB -0.895 27.863 28.738 0.034 0.000 0.941 856 Q HN 0.806 nan 8.270 nan 0.000 0.464 857 N N -0.876 117.905 118.700 0.135 0.000 2.336 857 N HA 0.129 4.866 4.740 -0.005 0.000 0.189 857 N C -0.674 174.731 175.510 -0.174 0.000 1.113 857 N CA -0.073 52.961 53.050 -0.028 0.000 0.858 857 N CB 0.260 38.684 38.487 -0.105 0.000 0.970 857 N HN 0.206 nan 8.380 nan 0.000 0.471 858 Y N 0.547 120.835 120.300 -0.020 0.000 2.621 858 Y HA 0.384 4.931 4.550 -0.005 0.000 0.334 858 Y C 0.048 175.924 175.900 -0.040 0.000 1.074 858 Y CA -1.300 56.787 58.100 -0.022 0.000 1.149 858 Y CB 1.318 39.768 38.460 -0.016 0.000 1.302 858 Y HN -0.056 nan 8.280 nan 0.000 0.501 859 E N -0.629 119.641 120.200 0.116 0.000 2.393 859 E HA 0.738 5.085 4.350 -0.005 0.000 0.273 859 E C -2.040 174.544 176.600 -0.027 0.000 0.918 859 E CA -1.103 55.306 56.400 0.015 0.000 0.773 859 E CB 2.393 32.087 29.700 -0.010 0.000 1.275 859 E HN 0.269 nan 8.360 nan 0.000 0.451 860 V N 1.304 121.141 119.914 -0.128 0.000 2.459 860 V HA 0.469 4.585 4.120 -0.005 0.000 0.295 860 V C -0.372 175.642 176.094 -0.133 0.000 1.029 860 V CA -0.735 61.427 62.300 -0.230 0.000 0.874 860 V CB 1.341 32.767 31.823 -0.661 0.000 0.985 860 V HN 0.600 nan 8.190 nan 0.000 0.438 861 K N 2.635 123.003 120.400 -0.055 0.000 2.385 861 K HA 0.485 4.802 4.320 -0.005 0.000 0.248 861 K C -0.868 175.750 176.600 0.031 0.000 0.955 861 K CA -0.933 55.349 56.287 -0.008 0.000 0.816 861 K CB 2.089 34.585 32.500 -0.007 0.000 1.250 861 K HN 0.575 nan 8.250 nan 0.000 0.434 862 N N 1.369 120.078 118.700 0.015 0.000 2.707 862 N HA 0.251 4.988 4.740 -0.005 0.000 0.235 862 N C 0.333 175.809 175.510 -0.057 0.000 1.028 862 N CA 0.917 53.924 53.050 -0.071 0.000 0.906 862 N CB 0.499 38.947 38.487 -0.065 0.000 1.131 862 N HN 0.833 nan 8.380 nan 0.000 0.509 863 G N 3.779 112.544 108.800 -0.058 0.000 2.574 863 G HA2 -0.356 3.601 3.960 -0.005 0.000 0.301 863 G HA3 -0.356 3.601 3.960 -0.005 0.000 0.301 863 G C 0.349 175.238 174.900 -0.018 0.000 1.166 863 G CA 0.601 45.681 45.100 -0.035 0.000 0.971 863 G HN 0.554 nan 8.290 nan 0.000 0.542 864 D N 1.279 121.670 120.400 -0.014 0.000 2.350 864 D HA 0.209 4.846 4.640 -0.005 0.000 0.213 864 D C 1.083 177.380 176.300 -0.005 0.000 1.031 864 D CA 1.091 55.086 54.000 -0.008 0.000 0.861 864 D CB 0.062 40.858 40.800 -0.007 0.000 0.926 864 D HN 0.373 nan 8.370 nan 0.000 0.520 865 T N 1.380 115.931 114.554 -0.004 0.000 2.780 865 T HA 0.489 4.836 4.350 -0.005 0.000 0.294 865 T C 0.333 175.037 174.700 0.007 0.000 0.949 865 T CA -0.588 61.514 62.100 0.004 0.000 1.074 865 T CB 1.538 70.412 68.868 0.011 0.000 0.910 865 T HN 0.025 nan 8.240 nan 0.000 0.501 866 A N 3.609 126.431 122.820 0.003 0.000 2.477 866 A HA 0.460 4.777 4.320 -0.005 0.000 0.246 866 A C 0.174 177.760 177.584 0.003 0.000 1.078 866 A CA -0.393 51.642 52.037 -0.005 0.000 0.770 866 A CB 0.123 19.118 19.000 -0.007 0.000 1.011 866 A HN 0.691 nan 8.150 nan 0.000 0.494 867 V N 4.376 124.277 119.914 -0.022 0.000 2.435 867 V HA 0.157 4.274 4.120 -0.005 0.000 0.290 867 V C 0.708 176.774 176.094 -0.047 0.000 1.030 867 V CA -0.952 61.336 62.300 -0.020 0.000 0.881 867 V CB 1.516 33.300 31.823 -0.066 0.000 0.983 867 V HN 0.991 nan 8.190 nan 0.000 0.445 868 N N 3.527 122.230 118.700 0.005 0.000 2.434 868 N HA 0.229 4.966 4.740 -0.005 0.000 0.268 868 N C -0.423 175.103 175.510 0.026 0.000 1.256 868 N CA 0.217 53.277 53.050 0.016 0.000 0.914 868 N CB 0.880 39.392 38.487 0.041 0.000 1.088 868 N HN 0.860 nan 8.380 nan 0.000 0.478 869 A N 4.414 127.237 122.820 0.004 0.000 2.375 869 A HA 0.346 4.663 4.320 -0.005 0.000 0.295 869 A C -0.618 176.987 177.584 0.035 0.000 1.066 869 A CA -0.884 51.178 52.037 0.043 0.000 0.722 869 A CB 1.068 20.033 19.000 -0.058 0.000 1.206 869 A HN 0.536 nan 8.150 nan 0.000 0.435 870 K N 1.333 121.763 120.400 0.050 0.000 2.218 870 K HA 0.451 4.768 4.320 -0.005 0.000 0.276 870 K C -0.422 176.168 176.600 -0.018 0.000 1.022 870 K CA -0.348 55.950 56.287 0.020 0.000 0.946 870 K CB 1.743 34.261 32.500 0.031 0.000 1.000 870 K HN 0.391 nan 8.250 nan 0.000 0.468 871 V N 3.433 123.333 119.914 -0.024 0.000 2.370 871 V HA 0.223 4.340 4.120 -0.005 0.000 0.279 871 V C 0.053 176.113 176.094 -0.056 0.000 1.029 871 V CA -0.876 61.390 62.300 -0.056 0.000 0.870 871 V CB 1.349 33.156 31.823 -0.027 0.000 0.984 871 V HN 0.549 nan 8.190 nan 0.000 0.451 872 V N 2.384 122.221 119.914 -0.128 0.000 2.667 872 V HA 0.900 5.017 4.120 -0.005 0.000 0.308 872 V C -0.202 175.902 176.094 0.016 0.000 1.048 872 V CA -0.241 62.028 62.300 -0.052 0.000 0.928 872 V CB 2.068 33.838 31.823 -0.089 0.000 1.004 872 V HN 0.763 nan 8.190 nan 0.000 0.444 873 T N 3.673 118.324 114.554 0.163 0.000 2.912 873 T HA 0.511 4.858 4.350 -0.005 0.000 0.299 873 T C -0.505 174.309 174.700 0.190 0.000 1.052 873 T CA -0.578 61.650 62.100 0.214 0.000 0.996 873 T CB 1.585 70.509 68.868 0.094 0.000 1.070 873 T HN 1.154 nan 8.240 nan 0.000 0.465 874 N N 1.019 119.783 118.700 0.106 0.000 2.491 874 N HA 0.546 5.282 4.740 -0.005 0.000 0.279 874 N C 1.347 176.804 175.510 -0.088 0.000 1.236 874 N CA -0.527 52.415 53.050 -0.179 0.000 0.982 874 N CB 0.206 38.318 38.487 -0.624 0.000 1.194 874 N HN 0.535 nan 8.380 nan 0.000 0.582 875 A N -0.986 121.765 122.820 -0.115 0.000 2.070 875 A HA -0.145 4.172 4.320 -0.005 0.000 0.220 875 A C 1.208 178.762 177.584 -0.049 0.000 1.159 875 A CA 1.746 53.742 52.037 -0.067 0.000 0.656 875 A CB -0.801 18.156 19.000 -0.072 0.000 0.800 875 A HN 0.781 nan 8.150 nan 0.000 0.453 876 D N -1.922 118.443 120.400 -0.059 0.000 2.342 876 D HA 0.324 4.961 4.640 -0.005 0.000 0.221 876 D C 1.144 177.441 176.300 -0.005 0.000 1.101 876 D CA 0.849 54.831 54.000 -0.030 0.000 0.837 876 D CB -0.210 40.570 40.800 -0.032 0.000 0.938 876 D HN 0.463 nan 8.370 nan 0.000 0.508 877 G N -0.215 108.588 108.800 0.005 0.000 2.148 877 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.254 877 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.254 877 G C 0.493 175.426 174.900 0.055 0.000 0.981 877 G CA 0.183 45.300 45.100 0.029 0.000 0.670 877 G HN 0.640 nan 8.290 nan 0.000 0.528 878 A N -0.262 122.607 122.820 0.082 0.000 2.354 878 A HA 0.804 5.121 4.320 -0.005 0.000 0.269 878 A C 0.565 178.280 177.584 0.220 0.000 1.109 878 A CA 0.789 52.912 52.037 0.142 0.000 0.800 878 A CB 0.861 19.974 19.000 0.189 0.000 1.045 878 A HN 0.988 nan 8.150 nan 0.000 0.489 879 S N 0.579 116.316 115.700 0.062 0.000 2.566 879 S HA 0.718 5.184 4.470 -0.005 0.000 0.298 879 S C -0.667 173.714 174.600 -0.365 0.000 1.083 879 S CA -0.460 57.690 58.200 -0.083 0.000 0.978 879 S CB 1.149 64.323 63.200 -0.044 0.000 1.073 879 S HN 0.573 nan 8.310 nan 0.000 0.491 880 L N 2.038 122.898 121.223 -0.605 0.000 2.342 880 L HA 0.593 4.930 4.340 -0.005 0.000 0.271 880 L C -1.027 175.620 176.870 -0.371 0.000 1.008 880 L CA -0.895 53.564 54.840 -0.635 0.000 0.818 880 L CB 1.182 42.601 42.059 -1.067 0.000 1.296 880 L HN 0.389 nan 8.230 nan 0.000 0.427 881 L N 2.766 123.852 121.223 -0.230 0.000 2.276 881 L HA 0.454 4.791 4.340 -0.005 0.000 0.286 881 L C -0.616 176.224 176.870 -0.049 0.000 1.061 881 L CA -0.508 54.295 54.840 -0.063 0.000 0.807 881 L CB 1.585 43.682 42.059 0.064 0.000 1.177 881 L HN 0.271 nan 8.230 nan 0.000 0.429 882 V N 4.866 124.769 119.914 -0.019 0.000 2.409 882 V HA 0.568 4.685 4.120 -0.005 0.000 0.291 882 V C -0.513 175.652 176.094 0.118 0.000 1.020 882 V CA -0.546 61.706 62.300 -0.080 0.000 0.848 882 V CB 1.236 32.981 31.823 -0.130 0.000 0.990 882 V HN 0.583 nan 8.190 nan 0.000 0.430 883 F N 0.887 120.768 119.950 -0.114 0.000 2.654 883 F HA 0.687 5.210 4.527 -0.006 0.000 0.308 883 F C -0.600 175.137 175.800 -0.105 0.000 1.108 883 F CA -1.246 56.690 58.000 -0.107 0.000 0.957 883 F CB 1.079 39.991 39.000 -0.147 0.000 1.309 883 F HN 0.308 nan 8.300 nan 0.000 0.446 884 D N 1.569 122.016 120.400 0.079 0.000 2.399 884 D HA 0.401 5.038 4.640 -0.005 0.000 0.241 884 D C 0.217 176.525 176.300 0.014 0.000 1.133 884 D CA 0.519 54.536 54.000 0.027 0.000 0.890 884 D CB 1.604 42.449 40.800 0.076 0.000 1.201 884 D HN 0.849 nan 8.370 nan 0.000 0.432 885 T N -2.649 111.909 114.554 0.007 0.000 2.887 885 T HA 0.734 5.081 4.350 -0.005 0.000 0.292 885 T C -0.422 174.393 174.700 0.192 0.000 1.087 885 T CA -0.903 61.253 62.100 0.093 0.000 1.009 885 T CB 1.731 70.644 68.868 0.075 0.000 1.203 885 T HN 0.316 nan 8.240 nan 0.000 0.518 886 T N -0.909 113.832 114.554 0.312 0.000 2.848 886 T HA 0.742 5.089 4.350 -0.005 0.000 0.285 886 T C 0.256 175.051 174.700 0.158 0.000 0.995 886 T CA -0.659 61.553 62.100 0.187 0.000 0.970 886 T CB 1.110 70.077 68.868 0.165 0.000 0.976 886 T HN 1.191 nan 8.240 nan 0.000 0.441 887 A N 1.643 124.507 122.820 0.074 0.000 2.566 887 A HA 0.528 4.845 4.320 -0.005 0.000 0.245 887 A C 1.645 179.255 177.584 0.043 0.000 1.056 887 A CA 0.534 52.592 52.037 0.035 0.000 0.757 887 A CB -1.245 17.755 19.000 -0.000 0.000 0.979 887 A HN 2.427 nan 8.150 nan 0.000 0.508 888 G N 2.028 110.851 108.800 0.040 0.000 2.213 888 G HA2 -0.176 3.781 3.960 -0.005 0.000 0.226 888 G HA3 -0.176 3.781 3.960 -0.005 0.000 0.226 888 G C 0.380 175.288 174.900 0.014 0.000 0.992 888 G CA 0.338 45.454 45.100 0.026 0.000 0.632 888 G HN 1.213 nan 8.290 nan 0.000 0.511 889 T N 1.951 116.521 114.554 0.025 0.000 2.837 889 T HA 0.590 4.936 4.350 -0.005 0.000 0.285 889 T C 0.042 174.647 174.700 -0.158 0.000 0.984 889 T CA 0.311 62.342 62.100 -0.114 0.000 1.049 889 T CB 1.783 70.534 68.868 -0.194 0.000 0.947 889 T HN 0.173 nan 8.240 nan 0.000 0.472 890 T N 3.448 117.855 114.554 -0.245 0.000 2.795 890 T HA 0.459 4.805 4.350 -0.005 0.000 0.282 890 T C -0.902 173.597 174.700 -0.335 0.000 0.980 890 T CA -0.361 61.660 62.100 -0.133 0.000 1.012 890 T CB 0.195 69.050 68.868 -0.022 0.000 0.936 890 T HN 0.394 nan 8.240 nan 0.000 0.457 891 Y N 1.238 121.616 120.300 0.130 0.000 2.341 891 Y HA 0.453 5.000 4.550 -0.006 0.000 0.337 891 Y C 0.967 176.901 175.900 0.056 0.000 1.014 891 Y CA -0.919 57.234 58.100 0.088 0.000 1.111 891 Y CB 1.445 40.003 38.460 0.162 0.000 1.194 891 Y HN 0.463 nan 8.280 nan 0.000 0.462 892 T N 5.178 119.803 114.554 0.119 0.000 2.771 892 T HA 0.584 4.931 4.350 -0.005 0.000 0.281 892 T C -0.361 174.376 174.700 0.061 0.000 0.982 892 T CA -0.528 61.621 62.100 0.081 0.000 0.978 892 T CB 0.321 69.216 68.868 0.045 0.000 0.930 892 T HN 0.377 nan 8.240 nan 0.000 0.447 893 I N 3.944 124.560 120.570 0.076 0.000 2.389 893 I HA 0.485 4.651 4.170 -0.005 0.000 0.288 893 I C 0.410 176.631 176.117 0.172 0.000 0.999 893 I CA -0.655 60.693 61.300 0.081 0.000 1.129 893 I CB 1.667 39.689 38.000 0.037 0.000 1.288 893 I HN 0.679 nan 8.210 nan 0.000 0.444 894 T N 1.600 116.286 114.554 0.219 0.000 2.883 894 T HA 0.461 4.808 4.350 -0.005 0.000 0.296 894 T C -0.501 174.282 174.700 0.138 0.000 1.117 894 T CA -1.247 60.989 62.100 0.225 0.000 1.006 894 T CB 1.692 70.613 68.868 0.089 0.000 1.191 894 T HN 0.333 nan 8.240 nan 0.000 0.508 895 K N 1.615 121.946 120.400 -0.115 0.000 2.448 895 K HA 0.170 4.487 4.320 -0.005 0.000 0.278 895 K C 0.551 177.029 176.600 -0.204 0.000 1.009 895 K CA -0.134 55.890 56.287 -0.439 0.000 0.995 895 K CB 0.562 32.833 32.500 -0.381 0.000 0.917 895 K HN 0.458 nan 8.250 nan 0.000 0.481 896 K N 0.000 120.279 120.400 -0.201 0.000 2.780 896 K HA 0.000 4.317 4.320 -0.005 0.000 0.191 896 K CA 0.000 56.223 56.287 -0.107 0.000 0.838 896 K CB 0.000 32.450 32.500 -0.083 0.000 1.064 896 K HN 0.000 nan 8.250 nan 0.000 0.543