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 3gtk_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE ILEQLAQHTT ESDNISRKYE ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKXXXXX XXXXXXXXXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEEA HDFNMKLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIXXXXXXA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDI DATA SEQUENCE EGGFEDVEEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEANEEN DATA SEQUENCE DLDVDPAKRI RVSHHATTFT HCEIHPSMIL GVAASIIPFP DHNQSPRNTY DATA SEQUENCE QSAMGKQAMG VFLTNYNVRM DTMANILYYP QKPLGTTRAM EYLKFRELPA DATA SEQUENCE GQNAIVAIAC YSGYNQEDSM IMNQSSIDRG LFRSLFFRSY MDQEKKYGMS DATA SEQUENCE ITETFEKPQR TNTLRMKHGT YDKLDDDGLI APGVRVSGED VIIGKTTPIS DATA SEQUENCE XXXXXXXXXX XXXSKRDAST PLRSTENGIV DQVLVTTNQD GLKFVKVRVR DATA SEQUENCE TTKIPQIGDK FASRHGQKGT IGITYRREDM PFTAEGIVPD LIINPHAIPS DATA SEQUENCE RMTVAHLIEC LLSKVAALSG NEGDASPFTD ITVEGISKLL REHGYQSRGF DATA SEQUENCE EVMYNGHTGK KLMAQIFFGP TYYQRLRHMV DDKIHARARG PMQVLTRQPV DATA SEQUENCE EGRSRDGGLR FGEMERDCMI AHGAASFLKE RLMEASDAFR VHICGICGLM DATA SEQUENCE TVIAKLNHNQ FECKGCDNKI DIYQIHIPYA AKLLFQELMA MNITPRLYTD DATA SEQUENCE R 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 20 D HA 0.000 nan 4.640 nan 0.000 0.175 20 D C 0.000 176.295 176.300 -0.009 0.000 2.045 20 D CA 0.000 53.997 54.000 -0.005 0.000 0.868 20 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 21 E N -1.433 118.760 120.200 -0.011 0.000 3.708 21 E HA -0.359 3.991 4.350 0.001 0.000 0.307 21 E C 0.153 176.753 176.600 0.001 0.000 0.696 21 E CA 2.111 58.500 56.400 -0.018 0.000 1.048 21 E CB -1.839 27.833 29.700 -0.047 0.000 1.556 21 E HN 0.223 nan 8.360 nan 0.000 0.448 22 S N 0.832 116.534 115.700 0.002 0.000 2.433 22 S HA 0.425 4.895 4.470 0.001 0.000 0.216 22 S C 1.033 175.634 174.600 0.002 0.000 1.031 22 S CA 0.236 58.438 58.200 0.004 0.000 0.931 22 S CB 0.161 63.359 63.200 -0.004 0.000 0.875 22 S HN 0.708 nan 8.310 nan 0.000 0.553 23 A N 4.228 127.048 122.820 -0.000 0.000 2.616 23 A HA 0.199 4.520 4.320 0.001 0.000 0.234 23 A C -2.299 175.281 177.584 -0.007 0.000 1.024 23 A CA -0.393 51.642 52.037 -0.003 0.000 0.758 23 A CB -0.626 18.377 19.000 0.004 0.000 0.939 23 A HN 0.222 nan 8.150 nan 0.000 0.510 24 P HA 0.379 nan 4.420 nan 0.000 0.277 24 P C 0.117 177.386 177.300 -0.051 0.000 1.271 24 P CA -0.597 62.474 63.100 -0.048 0.000 0.795 24 P CB 0.270 31.926 31.700 -0.073 0.000 1.101 25 I N -0.688 119.824 120.570 -0.096 0.000 3.332 25 I HA 0.030 4.201 4.170 0.001 0.000 0.280 25 I C 1.263 177.338 176.117 -0.070 0.000 1.285 25 I CA 0.969 62.210 61.300 -0.097 0.000 1.347 25 I CB -0.424 37.439 38.000 -0.229 0.000 1.353 25 I HN 0.484 nan 8.210 nan 0.000 0.611 26 T N 0.284 114.822 114.554 -0.027 0.000 2.570 26 T HA 0.528 4.878 4.350 0.001 0.000 0.239 26 T C 0.782 175.510 174.700 0.047 0.000 0.829 26 T CA -0.122 61.981 62.100 0.004 0.000 1.264 26 T CB 0.107 68.991 68.868 0.026 0.000 1.546 26 T HN 0.517 nan 8.240 nan 0.000 0.465 27 A N 0.998 123.869 122.820 0.085 0.000 1.824 27 A HA -0.064 4.256 4.320 0.001 0.000 0.215 27 A C 2.157 179.863 177.584 0.203 0.000 1.209 27 A CA 1.596 53.720 52.037 0.145 0.000 0.614 27 A CB -1.103 17.981 19.000 0.140 0.000 0.852 27 A HN 0.755 nan 8.150 nan 0.000 0.447 28 E N 0.152 120.468 120.200 0.194 0.000 2.072 28 E HA -0.155 4.195 4.350 0.001 0.000 0.191 28 E C 1.649 178.411 176.600 0.271 0.000 0.985 28 E CA 1.186 57.741 56.400 0.257 0.000 0.801 28 E CB -0.531 29.269 29.700 0.166 0.000 0.750 28 E HN 0.540 nan 8.360 nan 0.000 0.452 29 D N 0.888 121.392 120.400 0.174 0.000 2.158 29 D HA -0.160 4.480 4.640 0.001 0.000 0.197 29 D C 2.028 178.439 176.300 0.186 0.000 0.995 29 D CA 1.716 55.810 54.000 0.157 0.000 0.846 29 D CB -0.426 40.428 40.800 0.091 0.000 0.941 29 D HN 0.182 nan 8.370 nan 0.000 0.456 30 S N -0.607 115.175 115.700 0.138 0.000 2.423 30 S HA -0.228 4.242 4.470 0.001 0.000 0.238 30 S C 1.961 176.561 174.600 0.001 0.000 1.028 30 S CA 0.953 59.210 58.200 0.094 0.000 1.000 30 S CB -0.863 62.350 63.200 0.022 0.000 0.797 30 S HN 0.410 nan 8.310 nan 0.000 0.487 31 W N 1.719 123.112 121.300 0.156 0.000 2.488 31 W HA 0.393 5.053 4.660 0.001 0.000 0.304 31 W C 3.037 179.696 176.519 0.232 0.000 1.175 31 W CA 0.336 57.786 57.345 0.175 0.000 1.365 31 W CB -0.885 28.649 29.460 0.123 0.000 1.131 31 W HN 0.332 nan 8.180 nan 0.000 0.520 32 A N 0.340 123.412 122.820 0.420 0.000 1.985 32 A HA -0.285 4.035 4.320 0.001 0.000 0.223 32 A C 1.960 179.736 177.584 0.319 0.000 1.189 32 A CA 2.605 54.845 52.037 0.339 0.000 0.658 32 A CB -1.250 17.913 19.000 0.270 0.000 0.820 32 A HN 0.155 nan 8.150 nan 0.000 0.464 33 V N 0.466 120.567 119.914 0.312 0.000 2.261 33 V HA -0.288 3.833 4.120 0.001 0.000 0.246 33 V C 2.442 178.688 176.094 0.253 0.000 1.047 33 V CA 2.001 64.488 62.300 0.311 0.000 1.015 33 V CB -0.719 31.293 31.823 0.315 0.000 0.642 33 V HN 0.620 nan 8.190 nan 0.000 0.446 34 I N 1.023 121.699 120.570 0.177 0.000 2.091 34 I HA -0.292 3.879 4.170 0.001 0.000 0.239 34 I C 2.660 178.809 176.117 0.054 0.000 1.061 34 I CA 2.107 63.464 61.300 0.095 0.000 1.317 34 I CB -1.128 36.992 38.000 0.200 0.000 1.031 34 I HN 0.403 nan 8.210 nan 0.000 0.401 35 S N 1.757 117.513 115.700 0.092 0.000 2.374 35 S HA -0.239 4.231 4.470 0.001 0.000 0.227 35 S C 2.245 176.879 174.600 0.058 0.000 1.037 35 S CA 1.391 59.562 58.200 -0.048 0.000 1.024 35 S CB -0.820 62.574 63.200 0.323 0.000 0.861 35 S HN 0.565 nan 8.310 nan 0.000 0.456 36 A N 0.949 123.868 122.820 0.165 0.000 2.015 36 A HA 0.067 4.387 4.320 0.001 0.000 0.219 36 A C 1.852 179.505 177.584 0.115 0.000 1.163 36 A CA 1.177 53.333 52.037 0.198 0.000 0.646 36 A CB -0.859 18.327 19.000 0.311 0.000 0.806 36 A HN 0.550 nan 8.150 nan 0.000 0.448 37 F N -0.601 119.211 119.950 -0.229 0.000 2.113 37 F HA -0.122 4.405 4.527 0.000 0.000 0.297 37 F C 1.822 177.178 175.800 -0.739 0.000 1.103 37 F CA 1.759 59.198 58.000 -0.935 0.000 1.248 37 F CB -0.235 37.930 39.000 -1.392 0.000 0.999 37 F HN 0.204 nan 8.300 nan 0.000 0.475 38 F N 0.528 120.107 119.950 -0.618 0.000 2.407 38 F HA -0.016 4.512 4.527 0.001 0.000 0.299 38 F C 2.287 177.873 175.800 -0.356 0.000 1.097 38 F CA 0.458 58.114 58.000 -0.573 0.000 1.422 38 F CB -0.344 38.410 39.000 -0.411 0.000 1.067 38 F HN -0.196 nan 8.300 nan 0.000 0.539 39 R N 0.529 120.991 120.500 -0.064 0.000 2.249 39 R HA -0.126 4.215 4.340 0.001 0.000 0.230 39 R C 1.498 177.759 176.300 -0.064 0.000 1.121 39 R CA 1.048 57.142 56.100 -0.011 0.000 0.997 39 R CB -0.342 29.989 30.300 0.052 0.000 0.867 39 R HN 0.480 nan 8.270 nan 0.000 0.465 40 E N 0.180 120.265 120.200 -0.192 0.000 2.098 40 E HA 0.030 4.380 4.350 0.001 0.000 0.196 40 E C 1.630 178.084 176.600 -0.242 0.000 0.955 40 E CA -0.010 56.277 56.400 -0.189 0.000 0.936 40 E CB 0.150 29.740 29.700 -0.184 0.000 1.054 40 E HN 0.102 nan 8.360 nan 0.000 0.482 41 K N 0.941 121.058 120.400 -0.471 0.000 2.439 41 K HA 0.006 4.326 4.320 0.001 0.000 0.197 41 K C 1.336 177.798 176.600 -0.230 0.000 1.041 41 K CA 0.623 56.683 56.287 -0.379 0.000 0.970 41 K CB 0.151 32.291 32.500 -0.599 0.000 0.773 41 K HN 0.317 nan 8.250 nan 0.000 0.479 42 G N 1.928 110.618 108.800 -0.183 0.000 2.646 42 G HA2 -0.350 3.610 3.960 0.001 0.000 0.324 42 G HA3 -0.350 3.610 3.960 0.001 0.000 0.324 42 G C 0.589 175.563 174.900 0.123 0.000 1.195 42 G CA 0.541 45.644 45.100 0.004 0.000 0.976 42 G HN 0.312 nan 8.290 nan 0.000 0.546 43 L N 0.410 121.682 121.223 0.082 0.000 3.515 43 L HA 0.300 4.640 4.340 0.001 0.000 0.322 43 L C 1.075 177.988 176.870 0.071 0.000 1.225 43 L CA 0.771 55.679 54.840 0.114 0.000 1.104 43 L CB 1.365 43.474 42.059 0.083 0.000 1.506 43 L HN 0.751 nan 8.230 nan 0.000 0.624 44 V N -4.381 115.560 119.914 0.045 0.000 3.070 44 V HA 0.157 4.278 4.120 0.001 0.000 0.355 44 V C 1.667 177.783 176.094 0.037 0.000 1.400 44 V CA 0.424 62.750 62.300 0.044 0.000 1.170 44 V CB 0.077 31.931 31.823 0.052 0.000 1.169 44 V HN 0.260 nan 8.190 nan 0.000 0.554 45 S N 2.171 117.883 115.700 0.020 0.000 2.359 45 S HA -0.348 4.123 4.470 0.001 0.000 0.224 45 S C 1.930 176.562 174.600 0.053 0.000 1.035 45 S CA 2.116 60.329 58.200 0.021 0.000 1.018 45 S CB -0.512 62.681 63.200 -0.013 0.000 0.876 45 S HN 0.785 nan 8.310 nan 0.000 0.448 46 Q N 1.446 121.274 119.800 0.046 0.000 2.062 46 Q HA -0.183 4.157 4.340 0.001 0.000 0.209 46 Q C 2.294 178.337 176.000 0.072 0.000 0.996 46 Q CA 1.911 57.742 55.803 0.048 0.000 0.859 46 Q CB -0.869 27.876 28.738 0.011 0.000 0.920 46 Q HN 0.506 nan 8.270 nan 0.000 0.415 47 Q N 0.320 120.162 119.800 0.070 0.000 2.030 47 Q HA -0.082 4.258 4.340 0.001 0.000 0.204 47 Q C 2.308 178.382 176.000 0.123 0.000 0.986 47 Q CA 1.489 57.349 55.803 0.095 0.000 0.843 47 Q CB -0.308 28.482 28.738 0.085 0.000 0.904 47 Q HN 0.479 nan 8.270 nan 0.000 0.420 48 L N 0.941 122.220 121.223 0.093 0.000 1.948 48 L HA -0.246 4.094 4.340 0.001 0.000 0.212 48 L C 2.112 179.079 176.870 0.161 0.000 1.074 48 L CA 1.450 56.355 54.840 0.108 0.000 0.753 48 L CB -0.841 41.254 42.059 0.061 0.000 0.888 48 L HN 0.179 nan 8.230 nan 0.000 0.432 49 D N -0.458 120.017 120.400 0.125 0.000 2.170 49 D HA -0.247 4.393 4.640 0.001 0.000 0.193 49 D C 2.252 178.644 176.300 0.153 0.000 1.004 49 D CA 1.817 55.894 54.000 0.129 0.000 0.860 49 D CB -0.359 40.508 40.800 0.112 0.000 0.931 49 D HN 0.226 nan 8.370 nan 0.000 0.448 50 S N -0.712 115.085 115.700 0.162 0.000 2.370 50 S HA -0.190 4.281 4.470 0.001 0.000 0.226 50 S C 1.781 176.524 174.600 0.237 0.000 1.033 50 S CA 0.783 59.087 58.200 0.174 0.000 1.011 50 S CB -0.409 62.885 63.200 0.156 0.000 0.852 50 S HN 0.235 nan 8.310 nan 0.000 0.457 51 F N 2.928 122.955 119.950 0.129 0.000 2.113 51 F HA -0.006 4.522 4.527 0.001 0.000 0.297 51 F C 2.147 178.062 175.800 0.192 0.000 1.103 51 F CA 1.626 59.720 58.000 0.157 0.000 1.248 51 F CB -0.620 38.441 39.000 0.103 0.000 0.999 51 F HN 0.233 nan 8.300 nan 0.000 0.475 52 N N 0.432 119.277 118.700 0.242 0.000 2.094 52 N HA -0.255 4.485 4.740 0.001 0.000 0.191 52 N C 1.828 177.408 175.510 0.117 0.000 1.023 52 N CA 1.538 54.676 53.050 0.147 0.000 0.857 52 N CB -0.674 37.907 38.487 0.157 0.000 1.013 52 N HN 0.366 nan 8.380 nan 0.000 0.426 53 Q N 0.439 120.321 119.800 0.137 0.000 2.084 53 Q HA -0.051 4.289 4.340 0.001 0.000 0.202 53 Q C 1.866 177.937 176.000 0.118 0.000 0.978 53 Q CA 1.100 56.987 55.803 0.140 0.000 0.844 53 Q CB -0.647 28.136 28.738 0.076 0.000 0.898 53 Q HN 0.403 nan 8.270 nan 0.000 0.426 54 F N -0.681 119.218 119.950 -0.084 0.000 2.126 54 F HA -0.202 4.326 4.527 0.001 0.000 0.299 54 F C 1.703 177.368 175.800 -0.225 0.000 1.096 54 F CA 1.537 59.437 58.000 -0.167 0.000 1.255 54 F CB -0.268 38.562 39.000 -0.282 0.000 0.997 54 F HN -0.019 nan 8.300 nan 0.000 0.479 55 V N 0.565 120.345 119.914 -0.224 0.000 2.255 55 V HA -0.241 3.879 4.120 0.001 0.000 0.243 55 V C 1.934 177.882 176.094 -0.244 0.000 1.038 55 V CA 2.173 64.298 62.300 -0.292 0.000 1.008 55 V CB -0.679 31.029 31.823 -0.191 0.000 0.645 55 V HN 0.234 nan 8.190 nan 0.000 0.449 56 D N -1.624 118.699 120.400 -0.128 0.000 2.309 56 D HA -0.111 4.529 4.640 0.001 0.000 0.212 56 D C 1.312 177.276 176.300 -0.561 0.000 0.968 56 D CA 1.504 55.337 54.000 -0.277 0.000 0.882 56 D CB 0.062 40.748 40.800 -0.189 0.000 0.918 56 D HN 0.615 nan 8.370 nan 0.000 0.503 57 Y N -0.758 119.445 120.300 -0.162 0.000 3.312 57 Y HA 0.050 4.600 4.550 0.000 0.000 0.180 57 Y C 2.448 178.219 175.900 -0.215 0.000 0.891 57 Y CA 0.111 58.121 58.100 -0.150 0.000 1.762 57 Y CB -0.640 37.764 38.460 -0.093 0.000 1.441 57 Y HN -0.251 nan 8.280 nan 0.000 0.362 58 T N 2.655 117.188 114.554 -0.035 0.000 2.564 58 T HA -0.305 4.045 4.350 0.001 0.000 0.264 58 T C 1.858 176.355 174.700 -0.337 0.000 1.100 58 T CA 2.201 64.200 62.100 -0.169 0.000 1.171 58 T CB -0.898 67.857 68.868 -0.188 0.000 0.863 58 T HN 0.169 nan 8.240 nan 0.000 0.430 59 L N 1.189 121.987 121.223 -0.709 0.000 2.123 59 L HA -0.233 4.108 4.340 0.001 0.000 0.217 59 L C 2.537 179.191 176.870 -0.360 0.000 1.081 59 L CA 2.049 56.441 54.840 -0.746 0.000 0.772 59 L CB -0.953 40.554 42.059 -0.920 0.000 0.890 59 L HN 0.283 nan 8.230 nan 0.000 0.437 60 Q N -0.631 119.006 119.800 -0.272 0.000 2.016 60 Q HA -0.172 4.168 4.340 0.001 0.000 0.200 60 Q C 1.863 177.796 176.000 -0.110 0.000 0.978 60 Q CA 2.167 57.862 55.803 -0.180 0.000 0.833 60 Q CB -0.259 28.387 28.738 -0.152 0.000 0.895 60 Q HN 0.627 nan 8.270 nan 0.000 0.427 61 D N 0.357 120.712 120.400 -0.074 0.000 2.084 61 D HA -0.166 4.475 4.640 0.001 0.000 0.194 61 D C 1.886 178.186 176.300 -0.001 0.000 0.990 61 D CA 1.235 55.225 54.000 -0.017 0.000 0.826 61 D CB -0.307 40.496 40.800 0.005 0.000 0.971 61 D HN 0.305 nan 8.370 nan 0.000 0.453 62 I N 0.624 121.186 120.570 -0.013 0.000 2.300 62 I HA -0.242 3.929 4.170 0.001 0.000 0.252 62 I C 2.405 178.513 176.117 -0.015 0.000 1.119 62 I CA 0.856 62.174 61.300 0.031 0.000 1.384 62 I CB -0.537 37.523 38.000 0.099 0.000 1.062 62 I HN -0.010 nan 8.210 nan 0.000 0.426 63 I N -0.422 120.070 120.570 -0.130 0.000 2.584 63 I HA -0.134 4.036 4.170 0.001 0.000 0.255 63 I C 2.161 178.309 176.117 0.053 0.000 1.145 63 I CA 0.730 61.843 61.300 -0.311 0.000 1.462 63 I CB 0.210 37.962 38.000 -0.412 0.000 1.102 63 I HN 0.343 nan 8.210 nan 0.000 0.433 64 C N -0.548 118.795 119.300 0.072 0.000 1.486 64 C HA 0.233 4.693 4.460 0.001 0.000 0.114 64 C C 1.749 176.831 174.990 0.154 0.000 2.960 64 C CA 0.639 59.739 59.018 0.138 0.000 1.826 64 C CB 0.127 27.912 27.740 0.076 0.000 2.348 64 C HN 0.701 nan 8.230 nan 0.000 0.242 65 E N 0.038 120.303 120.200 0.109 0.000 2.973 65 E HA -0.312 4.038 4.350 0.001 0.000 0.318 65 E C -0.511 176.151 176.600 0.102 0.000 1.406 65 E CA 1.447 57.905 56.400 0.096 0.000 1.522 65 E CB -2.004 27.755 29.700 0.098 0.000 1.856 65 E HN 0.883 nan 8.360 nan 0.000 0.541 66 D N 0.815 121.274 120.400 0.099 0.000 2.889 66 D HA 0.154 4.794 4.640 0.001 0.000 0.243 66 D C 0.626 176.986 176.300 0.101 0.000 1.270 66 D CA 0.637 54.688 54.000 0.085 0.000 0.838 66 D CB -0.018 40.821 40.800 0.063 0.000 1.040 66 D HN 0.278 nan 8.370 nan 0.000 0.480 67 S N -0.599 115.202 115.700 0.169 0.000 2.436 67 S HA -0.084 4.387 4.470 0.001 0.000 0.228 67 S C 1.446 176.187 174.600 0.235 0.000 1.014 67 S CA 0.057 58.402 58.200 0.242 0.000 0.950 67 S CB -0.410 63.086 63.200 0.494 0.000 0.784 67 S HN 0.525 nan 8.310 nan 0.000 0.504 68 T N 2.199 116.834 114.554 0.135 0.000 2.923 68 T HA 0.131 4.482 4.350 0.001 0.000 0.304 68 T C -0.246 174.480 174.700 0.043 0.000 1.044 68 T CA -0.097 62.016 62.100 0.021 0.000 1.141 68 T CB -0.150 68.715 68.868 -0.005 0.000 1.023 68 T HN 0.273 nan 8.240 nan 0.000 0.533 69 L N 5.999 127.231 121.223 0.014 0.000 2.343 69 L HA 0.442 4.782 4.340 0.001 0.000 0.275 69 L C 1.598 178.527 176.870 0.099 0.000 1.056 69 L CA -0.832 54.063 54.840 0.093 0.000 0.804 69 L CB 0.847 42.966 42.059 0.100 0.000 1.203 69 L HN 0.798 nan 8.230 nan 0.000 0.440 70 I N 2.773 123.454 120.570 0.184 0.000 2.044 70 I HA -0.339 3.831 4.170 0.001 0.000 0.234 70 I C 1.704 177.928 176.117 0.178 0.000 1.031 70 I CA 2.090 63.501 61.300 0.184 0.000 1.305 70 I CB -0.475 37.670 38.000 0.243 0.000 1.026 70 I HN 0.686 nan 8.210 nan 0.000 0.392 71 L N -1.410 119.909 121.223 0.161 0.000 2.356 71 L HA 0.352 4.692 4.340 0.001 0.000 0.193 71 L C 0.355 177.265 176.870 0.066 0.000 1.087 71 L CA 1.101 55.998 54.840 0.096 0.000 0.817 71 L CB 0.577 42.642 42.059 0.009 0.000 1.035 71 L HN 0.164 nan 8.230 nan 0.000 0.482 72 E N -1.119 119.115 120.200 0.057 0.000 2.478 72 E HA 0.139 4.490 4.350 0.001 0.000 0.293 72 E C -0.564 176.042 176.600 0.011 0.000 1.011 72 E CA -0.101 56.309 56.400 0.017 0.000 0.834 72 E CB 1.766 31.439 29.700 -0.045 0.000 1.226 72 E HN 0.230 nan 8.360 nan 0.000 0.419 73 Q N 2.293 122.083 119.800 -0.018 0.000 2.107 73 Q HA 0.164 4.504 4.340 0.001 0.000 0.195 73 Q C 0.833 176.817 176.000 -0.026 0.000 0.964 73 Q CA 0.765 56.541 55.803 -0.046 0.000 0.833 73 Q CB 0.027 28.713 28.738 -0.088 0.000 0.910 73 Q HN 0.540 nan 8.270 nan 0.000 0.465 74 L N -0.732 120.477 121.223 -0.023 0.000 4.063 74 L HA -0.231 4.110 4.340 0.001 0.000 0.468 74 L C -0.411 176.460 176.870 0.002 0.000 1.118 74 L CA 0.937 55.768 54.840 -0.015 0.000 0.814 74 L CB -3.108 38.938 42.059 -0.022 0.000 1.754 74 L HN 0.082 nan 8.230 nan 0.000 0.897 75 A N -0.038 122.784 122.820 0.005 0.000 2.340 75 A HA 0.585 4.905 4.320 0.001 0.000 0.268 75 A C 0.890 178.506 177.584 0.054 0.000 1.100 75 A CA 0.535 52.582 52.037 0.016 0.000 0.803 75 A CB 0.552 19.549 19.000 -0.004 0.000 1.043 75 A HN 0.708 nan 8.150 nan 0.000 0.488 76 Q N -0.122 119.704 119.800 0.043 0.000 0.547 76 Q HA -0.196 4.145 4.340 0.001 0.000 0.357 76 Q C -0.376 175.697 176.000 0.123 0.000 1.078 76 Q CA 1.374 57.202 55.803 0.042 0.000 0.304 76 Q CB -0.546 28.193 28.738 0.002 0.000 5.529 76 Q HN 1.053 nan 8.270 nan 0.000 0.345 77 H N -2.488 116.575 119.070 -0.012 0.000 4.747 77 H HA -0.146 4.410 4.556 0.001 0.000 0.260 77 H C 0.118 175.439 175.328 -0.013 0.000 0.537 77 H CA 1.223 57.264 56.048 -0.012 0.000 0.689 77 H CB -0.790 28.963 29.762 -0.013 0.000 0.913 77 H HN 0.827 nan 8.280 nan 0.000 0.306 78 T N 0.356 114.983 114.554 0.123 0.000 3.191 78 T HA 0.136 4.486 4.350 0.001 0.000 0.285 78 T C -0.674 174.078 174.700 0.086 0.000 0.887 78 T CA 1.290 63.502 62.100 0.187 0.000 0.881 78 T CB 0.188 69.209 68.868 0.254 0.000 1.217 78 T HN 0.923 nan 8.240 nan 0.000 0.591 79 T N 3.032 117.609 114.554 0.038 0.000 0.548 79 T HA -0.103 4.248 4.350 0.001 0.000 0.773 79 T C 0.311 175.012 174.700 0.002 0.000 0.992 79 T CA 0.809 62.922 62.100 0.022 0.000 4.072 79 T CB -0.486 68.400 68.868 0.029 0.000 2.300 79 T HN 0.554 nan 8.240 nan 0.000 0.397 80 E N 0.612 120.809 120.200 -0.005 0.000 2.511 80 E HA 0.178 4.528 4.350 0.001 0.000 0.196 80 E C 1.115 177.708 176.600 -0.012 0.000 1.066 80 E CA 0.583 56.974 56.400 -0.015 0.000 0.871 80 E CB -0.149 29.544 29.700 -0.012 0.000 0.863 80 E HN 0.750 nan 8.360 nan 0.000 0.520 81 S N 1.411 117.110 115.700 -0.003 0.000 4.175 81 S HA 0.030 4.500 4.470 0.001 0.000 0.193 81 S C -0.020 174.581 174.600 0.000 0.000 1.373 81 S CA -0.429 57.772 58.200 0.002 0.000 0.908 81 S CB -0.505 62.700 63.200 0.008 0.000 1.547 81 S HN 0.230 nan 8.310 nan 0.000 0.440 82 D N 1.037 121.428 120.400 -0.015 0.000 2.504 82 D HA -0.027 4.614 4.640 0.001 0.000 0.243 82 D C 0.081 176.375 176.300 -0.010 0.000 1.203 82 D CA -0.504 53.481 54.000 -0.026 0.000 0.847 82 D CB -0.715 40.055 40.800 -0.050 0.000 0.973 82 D HN 0.570 nan 8.370 nan 0.000 0.490 83 N N 1.051 119.753 118.700 0.003 0.000 2.499 83 N HA 0.232 4.973 4.740 0.001 0.000 0.281 83 N C 0.366 175.885 175.510 0.014 0.000 1.098 83 N CA -0.753 52.303 53.050 0.010 0.000 0.979 83 N CB 1.444 39.942 38.487 0.020 0.000 1.121 83 N HN 0.203 nan 8.380 nan 0.000 0.466 84 I N -1.234 119.344 120.570 0.013 0.000 3.468 84 I HA 0.463 4.633 4.170 0.001 0.000 0.276 84 I C 0.065 176.198 176.117 0.027 0.000 1.182 84 I CA -0.699 60.609 61.300 0.013 0.000 0.881 84 I CB 0.111 38.114 38.000 0.006 0.000 1.609 84 I HN 0.566 nan 8.210 nan 0.000 0.780 85 S N 0.948 116.666 115.700 0.031 0.000 3.837 85 S HA -0.110 4.360 4.470 0.001 0.000 0.627 85 S C 0.384 175.013 174.600 0.048 0.000 0.633 85 S CA 0.531 58.765 58.200 0.057 0.000 1.421 85 S CB -1.055 62.186 63.200 0.068 0.000 0.844 85 S HN 1.051 nan 8.310 nan 0.000 0.880 86 R N -0.329 120.192 120.500 0.036 0.000 3.332 86 R HA -0.201 4.139 4.340 0.001 0.000 0.263 86 R C -0.012 176.363 176.300 0.125 0.000 1.053 86 R CA 1.444 57.564 56.100 0.034 0.000 0.705 86 R CB -1.063 29.229 30.300 -0.015 0.000 1.166 86 R HN 0.682 nan 8.270 nan 0.000 0.427 87 K N 1.612 122.091 120.400 0.131 0.000 2.276 87 K HA 0.079 4.399 4.320 0.001 0.000 0.285 87 K C -0.317 176.417 176.600 0.223 0.000 1.062 87 K CA -0.264 56.126 56.287 0.171 0.000 0.918 87 K CB 0.825 33.380 32.500 0.092 0.000 1.055 87 K HN 0.379 nan 8.250 nan 0.000 0.477 88 Y N 0.496 120.796 120.300 0.000 0.000 2.685 88 Y HA 0.373 4.924 4.550 0.001 0.000 0.257 88 Y C -0.905 174.995 175.900 -0.001 0.000 1.053 88 Y CA -1.113 56.989 58.100 0.003 0.000 1.106 88 Y CB 0.411 38.877 38.460 0.011 0.000 1.193 88 Y HN 0.694 nan 8.280 nan 0.000 0.602 89 E N 0.357 120.461 120.200 -0.161 0.000 2.347 89 E HA 0.332 4.682 4.350 0.001 0.000 0.285 89 E C -1.804 174.705 176.600 -0.152 0.000 0.925 89 E CA -0.412 55.861 56.400 -0.212 0.000 0.779 89 E CB 1.574 31.091 29.700 -0.304 0.000 1.233 89 E HN 0.508 nan 8.360 nan 0.000 0.414 90 I N 2.659 123.120 120.570 -0.181 0.000 4.547 90 I HA 0.037 4.208 4.170 0.001 0.000 0.303 90 I C 0.099 175.982 176.117 -0.389 0.000 1.188 90 I CA 1.145 62.296 61.300 -0.248 0.000 1.320 90 I CB 0.296 38.152 38.000 -0.240 0.000 1.495 90 I HN 0.924 nan 8.210 nan 0.000 0.462 91 S N 0.628 116.082 115.700 -0.410 0.000 3.269 91 S HA -0.276 4.194 4.470 0.001 0.000 0.639 91 S C -0.506 173.676 174.600 -0.696 0.000 2.714 91 S CA 0.669 58.646 58.200 -0.372 0.000 2.894 91 S CB -1.367 61.742 63.200 -0.152 0.000 0.329 91 S HN 0.293 nan 8.310 nan 0.000 1.793 92 F N 0.570 120.548 119.950 0.047 0.000 2.915 92 F HA 0.607 5.134 4.527 0.001 0.000 0.350 92 F C 1.136 176.943 175.800 0.011 0.000 1.248 92 F CA -0.354 57.678 58.000 0.054 0.000 1.084 92 F CB 1.438 40.513 39.000 0.125 0.000 1.391 92 F HN 0.980 nan 8.300 nan 0.000 0.548 93 G N 2.222 111.102 108.800 0.134 0.000 2.679 93 G HA2 0.077 4.037 3.960 0.001 0.000 0.158 93 G HA3 0.077 4.037 3.960 0.001 0.000 0.158 93 G C -0.302 174.582 174.900 -0.026 0.000 1.702 93 G CA -0.410 44.715 45.100 0.041 0.000 1.041 93 G HN 0.449 nan 8.290 nan 0.000 0.507 94 K N -0.359 119.966 120.400 -0.125 0.000 2.237 94 K HA 0.400 4.720 4.320 0.001 0.000 0.270 94 K C -0.822 175.472 176.600 -0.509 0.000 1.015 94 K CA -0.325 55.797 56.287 -0.275 0.000 0.949 94 K CB 0.839 33.179 32.500 -0.268 0.000 0.976 94 K HN 0.265 nan 8.250 nan 0.000 0.472 95 I N 4.708 125.011 120.570 -0.446 0.000 2.355 95 I HA 0.241 4.411 4.170 0.001 0.000 0.288 95 I C -1.414 174.523 176.117 -0.300 0.000 0.999 95 I CA -0.719 60.352 61.300 -0.381 0.000 1.163 95 I CB 0.496 38.354 38.000 -0.238 0.000 1.316 95 I HN 0.590 nan 8.210 nan 0.000 0.454 96 Y N 5.781 126.125 120.300 0.073 0.000 2.342 96 Y HA 0.578 5.129 4.550 0.000 0.000 0.334 96 Y C -0.177 175.808 175.900 0.141 0.000 1.067 96 Y CA -1.171 56.984 58.100 0.093 0.000 1.128 96 Y CB 1.644 40.176 38.460 0.119 0.000 1.200 96 Y HN 0.141 nan 8.280 nan 0.000 0.464 97 V N 2.613 122.670 119.914 0.237 0.000 2.417 97 V HA 0.336 4.457 4.120 0.001 0.000 0.291 97 V C -0.056 176.125 176.094 0.144 0.000 1.024 97 V CA -1.009 61.381 62.300 0.149 0.000 0.861 97 V CB 1.396 33.243 31.823 0.040 0.000 0.985 97 V HN 0.898 nan 8.190 nan 0.000 0.436 98 T N 3.016 117.673 114.554 0.173 0.000 2.816 98 T HA 0.352 4.703 4.350 0.001 0.000 0.282 98 T C 0.021 174.703 174.700 -0.030 0.000 0.993 98 T CA -0.877 61.280 62.100 0.096 0.000 0.994 98 T CB 0.712 69.677 68.868 0.162 0.000 1.025 98 T HN 0.493 nan 8.240 nan 0.000 0.529 99 K N 1.558 121.902 120.400 -0.094 0.000 2.237 99 K HA 0.249 4.569 4.320 0.001 0.000 0.270 99 K C -2.566 173.876 176.600 -0.264 0.000 1.015 99 K CA -1.932 54.185 56.287 -0.284 0.000 0.949 99 K CB 0.131 32.417 32.500 -0.356 0.000 0.976 99 K HN 0.337 nan 8.250 nan 0.000 0.472 100 P HA -0.029 nan 4.420 nan 0.000 0.263 100 P C -0.348 176.866 177.300 -0.142 0.000 1.175 100 P CA 0.948 63.805 63.100 -0.404 0.000 0.761 100 P CB 0.458 31.603 31.700 -0.925 0.000 0.794 101 M N 1.479 121.017 119.600 -0.104 0.000 2.843 101 M HA 0.554 5.034 4.480 0.001 0.000 0.273 101 M C -1.280 175.006 176.300 -0.025 0.000 1.286 101 M CA -1.057 54.228 55.300 -0.025 0.000 0.807 101 M CB 2.633 35.234 32.600 0.003 0.000 1.684 101 M HN -0.006 nan 8.290 nan 0.000 0.458 102 V N 2.204 122.122 119.914 0.007 0.000 2.674 102 V HA 0.318 4.438 4.120 0.001 0.000 0.279 102 V C -1.633 174.478 176.094 0.029 0.000 1.051 102 V CA -0.491 61.812 62.300 0.006 0.000 0.912 102 V CB 1.587 33.401 31.823 -0.013 0.000 1.044 102 V HN 0.894 nan 8.190 nan 0.000 0.464 103 N N 4.561 123.267 118.700 0.010 0.000 2.416 103 N HA 0.142 4.882 4.740 0.001 0.000 0.265 103 N C -0.176 175.348 175.510 0.023 0.000 1.195 103 N CA 0.354 53.413 53.050 0.015 0.000 0.943 103 N CB 0.854 39.331 38.487 -0.015 0.000 1.115 103 N HN 0.836 nan 8.380 nan 0.000 0.481 104 E N 2.285 122.511 120.200 0.042 0.000 2.259 104 E HA 0.140 4.490 4.350 0.001 0.000 0.281 104 E C -0.371 176.248 176.600 0.031 0.000 1.027 104 E CA -0.718 55.705 56.400 0.038 0.000 0.838 104 E CB 0.462 30.199 29.700 0.062 0.000 1.066 104 E HN 0.702 nan 8.360 nan 0.000 0.401 105 S N 4.287 120.000 115.700 0.021 0.000 2.715 105 S HA -0.147 4.324 4.470 0.001 0.000 0.318 105 S C 0.376 174.989 174.600 0.022 0.000 1.242 105 S CA 0.304 58.515 58.200 0.018 0.000 1.044 105 S CB 0.397 63.604 63.200 0.011 0.000 0.760 105 S HN 0.864 nan 8.310 nan 0.000 0.501 106 D N 1.134 121.544 120.400 0.018 0.000 2.708 106 D HA -0.106 4.534 4.640 0.001 0.000 0.236 106 D C 0.224 176.538 176.300 0.022 0.000 1.146 106 D CA 1.805 55.816 54.000 0.018 0.000 0.662 106 D CB -1.248 39.562 40.800 0.018 0.000 1.059 106 D HN 1.086 nan 8.370 nan 0.000 0.428 107 G N -2.203 106.611 108.800 0.024 0.000 2.721 107 G HA2 0.602 4.562 3.960 0.001 0.000 0.296 107 G HA3 0.602 4.562 3.960 0.001 0.000 0.296 107 G C -0.526 174.386 174.900 0.021 0.000 1.383 107 G CA -0.113 45.004 45.100 0.029 0.000 0.788 107 G HN 0.325 nan 8.290 nan 0.000 0.500 108 V N -0.126 119.800 119.914 0.020 0.000 2.953 108 V HA 0.499 4.620 4.120 0.001 0.000 0.304 108 V C 1.210 177.315 176.094 0.019 0.000 1.073 108 V CA -0.348 61.952 62.300 0.000 0.000 1.064 108 V CB 1.477 33.280 31.823 -0.034 0.000 1.047 108 V HN 0.837 nan 8.190 nan 0.000 0.478 109 T N 1.924 116.478 114.554 -0.001 0.000 2.853 109 T HA 0.117 4.467 4.350 0.001 0.000 0.298 109 T C -0.449 174.269 174.700 0.030 0.000 0.978 109 T CA 0.285 62.391 62.100 0.011 0.000 1.152 109 T CB -0.625 68.231 68.868 -0.020 0.000 0.914 109 T HN 0.855 nan 8.240 nan 0.000 0.539 110 H N 2.915 121.966 119.070 -0.031 0.000 2.538 110 H HA 0.595 5.152 4.556 0.001 0.000 0.353 110 H C -0.166 175.125 175.328 -0.062 0.000 1.109 110 H CA -0.985 55.042 56.048 -0.034 0.000 1.192 110 H CB 1.303 31.056 29.762 -0.015 0.000 1.555 110 H HN 0.807 nan 8.280 nan 0.000 0.518 111 A N 5.463 128.384 122.820 0.168 0.000 2.666 111 A HA 0.149 4.469 4.320 0.001 0.000 0.301 111 A C -0.397 177.063 177.584 -0.206 0.000 1.470 111 A CA -0.364 51.638 52.037 -0.058 0.000 1.159 111 A CB -0.883 17.964 19.000 -0.255 0.000 1.116 111 A HN 0.597 nan 8.150 nan 0.000 0.548 112 L N 4.158 125.325 121.223 -0.094 0.000 2.407 112 L HA 0.395 4.736 4.340 0.001 0.000 0.282 112 L C -0.602 176.282 176.870 0.022 0.000 1.110 112 L CA 0.151 54.952 54.840 -0.065 0.000 0.863 112 L CB -0.615 41.441 42.059 -0.006 0.000 1.207 112 L HN 0.585 nan 8.230 nan 0.000 0.454 113 Y N 6.206 126.601 120.300 0.158 0.000 2.334 113 Y HA 0.340 4.890 4.550 0.000 0.000 0.325 113 Y C -1.313 174.710 175.900 0.204 0.000 1.308 113 Y CA -1.600 56.628 58.100 0.214 0.000 1.389 113 Y CB -0.064 38.420 38.460 0.041 0.000 1.328 113 Y HN 0.529 nan 8.280 nan 0.000 0.532 114 P HA -0.146 nan 4.420 nan 0.000 0.217 114 P C 1.188 178.514 177.300 0.043 0.000 1.151 114 P CA 1.116 64.192 63.100 -0.039 0.000 0.828 114 P CB 0.299 31.832 31.700 -0.279 0.000 0.788 115 Q N 0.084 119.924 119.800 0.066 0.000 2.437 115 Q HA -0.164 4.177 4.340 0.001 0.000 0.210 115 Q C 1.957 178.001 176.000 0.073 0.000 0.972 115 Q CA 1.380 57.212 55.803 0.049 0.000 0.903 115 Q CB -0.698 28.049 28.738 0.015 0.000 0.967 115 Q HN 0.337 nan 8.270 nan 0.000 0.486 116 E N -1.571 118.693 120.200 0.107 0.000 2.075 116 E HA -0.002 4.348 4.350 0.001 0.000 0.190 116 E C 1.654 178.306 176.600 0.087 0.000 0.969 116 E CA 0.662 57.116 56.400 0.090 0.000 0.815 116 E CB -0.087 29.659 29.700 0.076 0.000 0.776 116 E HN 0.359 nan 8.360 nan 0.000 0.457 117 A N 1.465 124.350 122.820 0.108 0.000 1.972 117 A HA -0.146 4.174 4.320 0.001 0.000 0.219 117 A C 2.114 179.755 177.584 0.094 0.000 1.169 117 A CA 1.066 53.168 52.037 0.108 0.000 0.635 117 A CB -0.418 18.689 19.000 0.179 0.000 0.810 117 A HN 0.140 nan 8.150 nan 0.000 0.446 118 R N -0.605 119.949 120.500 0.089 0.000 2.081 118 R HA -0.032 4.308 4.340 0.001 0.000 0.235 118 R C 1.867 178.234 176.300 0.112 0.000 1.131 118 R CA 1.417 57.572 56.100 0.092 0.000 0.960 118 R CB -0.431 29.917 30.300 0.080 0.000 0.856 118 R HN 0.507 nan 8.270 nan 0.000 0.436 119 L N 0.460 121.753 121.223 0.116 0.000 2.270 119 L HA -0.018 4.323 4.340 0.001 0.000 0.210 119 L C 1.454 178.469 176.870 0.241 0.000 1.104 119 L CA 0.835 55.764 54.840 0.148 0.000 0.804 119 L CB -0.053 42.072 42.059 0.110 0.000 0.937 119 L HN 0.212 nan 8.230 nan 0.000 0.450 120 R N -0.647 119.967 120.500 0.190 0.000 2.633 120 R HA 0.233 4.573 4.340 0.001 0.000 0.348 120 R C -0.141 176.118 176.300 -0.068 0.000 1.100 120 R CA -0.230 55.995 56.100 0.207 0.000 1.068 120 R CB -0.448 29.945 30.300 0.154 0.000 1.351 120 R HN 0.180 nan 8.270 nan 0.000 0.575 121 N N 1.331 120.028 118.700 -0.006 0.000 2.727 121 N HA -0.169 4.571 4.740 0.001 0.000 0.249 121 N C -0.593 174.865 175.510 -0.087 0.000 1.048 121 N CA 0.305 53.300 53.050 -0.091 0.000 0.714 121 N CB -0.708 37.609 38.487 -0.283 0.000 0.959 121 N HN 0.366 nan 8.380 nan 0.000 0.544 122 L N -0.267 120.947 121.223 -0.015 0.000 2.440 122 L HA 0.519 4.859 4.340 0.001 0.000 0.262 122 L C 0.809 177.717 176.870 0.064 0.000 1.072 122 L CA -0.458 54.388 54.840 0.011 0.000 0.798 122 L CB 1.327 43.398 42.059 0.020 0.000 1.307 122 L HN -0.076 nan 8.230 nan 0.000 0.475 123 T N -0.461 114.142 114.554 0.081 0.000 2.815 123 T HA 0.210 4.560 4.350 0.001 0.000 0.289 123 T C -0.800 173.992 174.700 0.154 0.000 1.000 123 T CA -0.270 61.903 62.100 0.122 0.000 0.958 123 T CB 0.403 69.330 68.868 0.097 0.000 0.944 123 T HN 0.243 nan 8.240 nan 0.000 0.442 124 Y N 4.652 124.979 120.300 0.046 0.000 2.680 124 Y HA 0.357 4.908 4.550 0.001 0.000 0.356 124 Y C 0.410 176.322 175.900 0.020 0.000 1.122 124 Y CA -0.234 57.879 58.100 0.021 0.000 1.509 124 Y CB -0.274 38.180 38.460 -0.010 0.000 1.245 124 Y HN 0.619 nan 8.280 nan 0.000 0.513 125 S N 2.811 118.404 115.700 -0.179 0.000 2.548 125 S HA 0.671 5.141 4.470 0.001 0.000 0.276 125 S C -0.682 173.830 174.600 -0.147 0.000 1.129 125 S CA -0.983 57.156 58.200 -0.101 0.000 0.931 125 S CB 1.412 64.631 63.200 0.031 0.000 1.068 125 S HN 0.398 nan 8.310 nan 0.000 0.480 126 S N 1.143 116.778 115.700 -0.110 0.000 2.681 126 S HA 0.806 5.277 4.470 0.001 0.000 0.270 126 S C 0.567 175.185 174.600 0.030 0.000 1.209 126 S CA -0.370 57.789 58.200 -0.067 0.000 0.988 126 S CB 0.811 63.972 63.200 -0.064 0.000 1.006 126 S HN 1.128 nan 8.310 nan 0.000 0.558 127 G N 0.733 109.585 108.800 0.086 0.000 2.379 127 G HA2 0.571 4.532 3.960 0.001 0.000 0.327 127 G HA3 0.571 4.532 3.960 0.001 0.000 0.327 127 G C -1.097 173.786 174.900 -0.028 0.000 1.145 127 G CA -0.512 44.651 45.100 0.105 0.000 0.905 127 G HN 0.382 nan 8.290 nan 0.000 0.466 128 L N 1.448 122.547 121.223 -0.206 0.000 2.312 128 L HA 0.597 4.937 4.340 0.001 0.000 0.281 128 L C -0.686 175.840 176.870 -0.572 0.000 1.070 128 L CA -0.636 54.051 54.840 -0.256 0.000 0.805 128 L CB 0.603 42.549 42.059 -0.190 0.000 1.174 128 L HN 0.403 nan 8.230 nan 0.000 0.434 129 F N 2.021 122.057 119.950 0.143 0.000 2.585 129 F HA 0.635 5.162 4.527 0.000 0.000 0.319 129 F C -0.081 175.742 175.800 0.039 0.000 1.165 129 F CA -0.811 57.293 58.000 0.174 0.000 0.949 129 F CB 2.044 41.212 39.000 0.281 0.000 1.218 129 F HN 0.112 nan 8.300 nan 0.000 0.453 130 V N -0.003 120.024 119.914 0.189 0.000 3.102 130 V HA 0.551 4.671 4.120 0.001 0.000 0.312 130 V C -1.220 174.982 176.094 0.180 0.000 1.135 130 V CA -1.116 61.228 62.300 0.073 0.000 1.022 130 V CB 2.439 34.292 31.823 0.050 0.000 1.056 130 V HN 0.470 nan 8.190 nan 0.000 0.436 131 D N 1.518 122.003 120.400 0.142 0.000 2.317 131 D HA 0.430 5.070 4.640 0.001 0.000 0.234 131 D C -0.389 176.009 176.300 0.164 0.000 1.112 131 D CA -0.156 53.935 54.000 0.152 0.000 0.840 131 D CB 1.881 42.736 40.800 0.093 0.000 1.078 131 D HN 0.267 nan 8.370 nan 0.000 0.486 132 V N 4.091 124.091 119.914 0.143 0.000 2.432 132 V HA 0.066 4.186 4.120 0.001 0.000 0.271 132 V C 0.878 176.964 176.094 -0.014 0.000 1.046 132 V CA -0.460 61.857 62.300 0.028 0.000 0.945 132 V CB 0.763 32.627 31.823 0.068 0.000 0.992 132 V HN 0.252 nan 8.190 nan 0.000 0.471 133 K N 4.055 124.404 120.400 -0.085 0.000 2.120 133 K HA 0.434 4.755 4.320 0.001 0.000 0.245 133 K C 0.080 176.649 176.600 -0.052 0.000 1.024 133 K CA -0.351 55.900 56.287 -0.060 0.000 0.906 133 K CB 0.747 33.199 32.500 -0.080 0.000 1.051 133 K HN 0.720 nan 8.250 nan 0.000 0.491 165 V N 3.170 123.307 119.914 0.373 0.000 2.577 165 V HA 0.455 4.575 4.120 0.001 0.000 0.303 165 V C -1.155 175.241 176.094 0.504 0.000 1.042 165 V CA -0.846 61.682 62.300 0.381 0.000 0.872 165 V CB 1.415 33.398 31.823 0.266 0.000 0.998 165 V HN 0.713 nan 8.190 nan 0.000 0.423 166 F N 6.967 127.068 119.950 0.251 0.000 2.411 166 F HA 0.619 5.147 4.527 0.000 0.000 0.355 166 F C -0.214 175.521 175.800 -0.109 0.000 1.117 166 F CA -1.137 56.823 58.000 -0.067 0.000 1.139 166 F CB 0.820 39.851 39.000 0.052 0.000 1.120 166 F HN 0.268 nan 8.300 nan 0.000 0.493 167 I N 7.280 127.415 120.570 -0.726 0.000 2.557 167 I HA 0.343 4.513 4.170 0.001 0.000 0.277 167 I C 0.827 176.427 176.117 -0.862 0.000 1.106 167 I CA -0.372 60.546 61.300 -0.638 0.000 1.180 167 I CB -0.238 37.607 38.000 -0.260 0.000 1.392 167 I HN 0.827 nan 8.210 nan 0.000 0.506 168 G N 6.148 114.119 108.800 -1.382 0.000 2.649 168 G HA2 -0.272 3.688 3.960 0.001 0.000 0.281 168 G HA3 -0.272 3.688 3.960 0.001 0.000 0.281 168 G C 0.018 174.799 174.900 -0.198 0.000 1.325 168 G CA -0.480 44.196 45.100 -0.706 0.000 0.916 168 G HN 0.630 nan 8.290 nan 0.000 0.562 169 R N -0.865 119.646 120.500 0.018 0.000 2.451 169 R HA 0.425 4.766 4.340 0.001 0.000 0.307 169 R C -0.663 175.684 176.300 0.077 0.000 0.965 169 R CA -0.920 55.244 56.100 0.107 0.000 0.865 169 R CB 1.711 32.104 30.300 0.155 0.000 1.174 169 R HN 0.537 nan 8.270 nan 0.000 0.455 170 L N 5.119 126.379 121.223 0.062 0.000 2.281 170 L HA 0.400 4.740 4.340 0.001 0.000 0.285 170 L C -2.457 174.491 176.870 0.129 0.000 1.074 170 L CA -1.715 53.178 54.840 0.088 0.000 0.817 170 L CB 0.667 42.755 42.059 0.047 0.000 1.168 170 L HN 0.366 nan 8.230 nan 0.000 0.434 171 P HA 0.132 nan 4.420 nan 0.000 0.269 171 P C -1.028 176.422 177.300 0.250 0.000 1.209 171 P CA 0.180 63.441 63.100 0.269 0.000 0.776 171 P CB 0.434 32.390 31.700 0.427 0.000 0.876 172 I N 3.146 123.721 120.570 0.009 0.000 2.406 172 I HA 0.329 4.499 4.170 0.001 0.000 0.290 172 I C 0.508 176.062 176.117 -0.938 0.000 0.999 172 I CA -1.016 60.116 61.300 -0.280 0.000 1.124 172 I CB 1.189 39.123 38.000 -0.111 0.000 1.289 172 I HN 0.455 nan 8.210 nan 0.000 0.441 173 M N 5.553 124.012 119.600 -1.901 0.000 2.250 173 M HA 0.119 4.599 4.480 0.001 0.000 0.337 173 M C -0.936 174.831 176.300 -0.889 0.000 1.161 173 M CA -0.045 54.155 55.300 -1.833 0.000 1.088 173 M CB 0.541 32.088 32.600 -1.755 0.000 1.639 173 M HN 0.323 nan 8.290 nan 0.000 0.447 174 L N 5.077 125.838 121.223 -0.771 0.000 2.417 174 L HA 0.256 4.597 4.340 0.001 0.000 0.268 174 L C 1.269 177.923 176.870 -0.361 0.000 1.158 174 L CA 0.899 55.396 54.840 -0.571 0.000 0.819 174 L CB 0.539 42.111 42.059 -0.812 0.000 1.112 174 L HN 0.945 nan 8.230 nan 0.000 0.458 175 R N 0.299 120.664 120.500 -0.226 0.000 4.000 175 R HA -0.233 4.108 4.340 0.001 0.000 0.348 175 R C 0.529 176.778 176.300 -0.085 0.000 1.204 175 R CA 0.890 56.917 56.100 -0.122 0.000 0.987 175 R CB -1.104 29.135 30.300 -0.101 0.000 1.446 175 R HN 0.918 nan 8.270 nan 0.000 0.555 176 S N -0.410 115.224 115.700 -0.111 0.000 2.592 176 S HA 0.045 4.516 4.470 0.001 0.000 0.247 176 S C 1.039 175.650 174.600 0.018 0.000 1.322 176 S CA 0.328 58.525 58.200 -0.006 0.000 0.973 176 S CB 0.356 63.586 63.200 0.050 0.000 0.971 176 S HN 0.425 nan 8.310 nan 0.000 0.545 177 K N 0.126 120.563 120.400 0.061 0.000 2.211 177 K HA 0.144 4.464 4.320 0.001 0.000 0.201 177 K C 1.921 178.516 176.600 -0.009 0.000 1.052 177 K CA 0.755 57.059 56.287 0.027 0.000 0.973 177 K CB -0.316 32.206 32.500 0.036 0.000 0.766 177 K HN 0.522 nan 8.250 nan 0.000 0.466 178 N N 0.123 118.821 118.700 -0.003 0.000 2.457 178 N HA -0.046 4.695 4.740 0.001 0.000 0.180 178 N C 0.101 175.489 175.510 -0.204 0.000 1.050 178 N CA 0.134 53.135 53.050 -0.081 0.000 0.906 178 N CB 0.355 38.823 38.487 -0.032 0.000 0.968 178 N HN 0.105 nan 8.380 nan 0.000 0.445 179 C N 0.576 119.807 119.300 -0.115 0.000 2.514 179 C HA 0.164 4.624 4.460 0.001 0.000 0.392 179 C C 1.550 176.514 174.990 -0.042 0.000 1.294 179 C CA -0.800 58.183 59.018 -0.058 0.000 1.957 179 C CB -1.068 26.732 27.740 0.099 0.000 2.541 179 C HN 0.492 nan 8.230 nan 0.000 0.569 180 Y N 3.264 123.657 120.300 0.154 0.000 2.241 180 Y HA -0.152 4.398 4.550 0.000 0.000 0.286 180 Y C 2.024 177.977 175.900 0.089 0.000 1.166 180 Y CA 1.571 59.750 58.100 0.130 0.000 1.203 180 Y CB -0.371 38.224 38.460 0.226 0.000 0.977 180 Y HN 0.653 nan 8.280 nan 0.000 0.529 181 L N -0.145 121.199 121.223 0.201 0.000 2.622 181 L HA -0.104 4.236 4.340 0.001 0.000 0.233 181 L C 2.145 179.034 176.870 0.031 0.000 1.156 181 L CA 0.826 55.718 54.840 0.087 0.000 0.866 181 L CB -0.737 41.333 42.059 0.018 0.000 0.980 181 L HN 0.243 nan 8.230 nan 0.000 0.448 182 S N -0.210 115.510 115.700 0.034 0.000 2.406 182 S HA -0.121 4.350 4.470 0.001 0.000 0.228 182 S C 1.517 176.126 174.600 0.016 0.000 1.020 182 S CA 0.694 58.900 58.200 0.010 0.000 0.965 182 S CB -0.148 63.055 63.200 0.005 0.000 0.798 182 S HN 0.475 nan 8.310 nan 0.000 0.488 183 E N 1.701 121.922 120.200 0.035 0.000 2.474 183 E HA 0.481 4.831 4.350 0.001 0.000 0.195 183 E C 0.512 177.125 176.600 0.021 0.000 1.039 183 E CA 0.262 56.679 56.400 0.029 0.000 0.881 183 E CB 0.126 29.851 29.700 0.042 0.000 0.970 183 E HN 0.620 nan 8.360 nan 0.000 0.486 184 A N 1.548 124.380 122.820 0.019 0.000 2.462 184 A HA 0.307 4.627 4.320 0.001 0.000 0.243 184 A C 0.790 178.360 177.584 -0.023 0.000 1.076 184 A CA -0.078 51.960 52.037 0.002 0.000 0.773 184 A CB -0.002 18.995 19.000 -0.006 0.000 1.010 184 A HN 0.212 nan 8.150 nan 0.000 0.493 185 T N -0.453 114.086 114.554 -0.025 0.000 2.849 185 T HA 0.375 4.726 4.350 0.001 0.000 0.276 185 T C 0.955 175.623 174.700 -0.054 0.000 0.971 185 T CA 0.325 62.406 62.100 -0.033 0.000 0.949 185 T CB 0.921 69.779 68.868 -0.017 0.000 1.093 185 T HN 0.717 nan 8.240 nan 0.000 0.545 186 E N 0.395 120.566 120.200 -0.048 0.000 1.998 186 E HA -0.172 4.178 4.350 0.001 0.000 0.196 186 E C 2.350 178.954 176.600 0.006 0.000 1.003 186 E CA 1.823 58.183 56.400 -0.066 0.000 0.829 186 E CB -0.425 29.264 29.700 -0.017 0.000 0.777 186 E HN 0.799 nan 8.360 nan 0.000 0.460 187 S N 0.603 116.361 115.700 0.096 0.000 2.402 187 S HA -0.244 4.226 4.470 0.001 0.000 0.233 187 S C 1.533 176.182 174.600 0.081 0.000 1.030 187 S CA 1.652 59.947 58.200 0.158 0.000 1.003 187 S CB -0.616 62.625 63.200 0.070 0.000 0.813 187 S HN 0.269 nan 8.310 nan 0.000 0.477 188 D N 1.964 122.370 120.400 0.010 0.000 2.116 188 D HA -0.063 4.578 4.640 0.001 0.000 0.193 188 D C 1.886 178.152 176.300 -0.057 0.000 0.998 188 D CA 1.367 55.351 54.000 -0.027 0.000 0.836 188 D CB -0.493 40.288 40.800 -0.032 0.000 0.951 188 D HN 0.381 nan 8.370 nan 0.000 0.449 189 L N -0.685 120.477 121.223 -0.101 0.000 1.994 189 L HA -0.203 4.137 4.340 0.001 0.000 0.208 189 L C 2.305 179.084 176.870 -0.152 0.000 1.071 189 L CA 1.145 55.883 54.840 -0.171 0.000 0.745 189 L CB -0.561 41.329 42.059 -0.282 0.000 0.892 189 L HN 0.162 nan 8.230 nan 0.000 0.431 190 Y N 0.380 120.624 120.300 -0.094 0.000 2.114 190 Y HA -0.347 4.203 4.550 0.000 0.000 0.282 190 Y C 2.666 178.506 175.900 -0.099 0.000 1.165 190 Y CA 1.466 59.509 58.100 -0.095 0.000 1.148 190 Y CB -0.286 38.121 38.460 -0.089 0.000 0.972 190 Y HN 0.079 nan 8.280 nan 0.000 0.504 191 K N 0.052 120.485 120.400 0.054 0.000 2.160 191 K HA -0.192 4.128 4.320 0.001 0.000 0.206 191 K C 1.561 178.106 176.600 -0.092 0.000 1.047 191 K CA 1.500 57.769 56.287 -0.030 0.000 0.930 191 K CB -0.354 32.113 32.500 -0.056 0.000 0.720 191 K HN 0.340 nan 8.250 nan 0.000 0.450 192 L N 0.474 121.625 121.223 -0.121 0.000 2.591 192 L HA 0.042 4.382 4.340 0.001 0.000 0.228 192 L C 0.126 176.933 176.870 -0.105 0.000 1.133 192 L CA 0.286 55.022 54.840 -0.172 0.000 0.880 192 L CB -0.164 41.776 42.059 -0.198 0.000 1.033 192 L HN 0.093 nan 8.230 nan 0.000 0.450 193 K N -0.100 120.260 120.400 -0.067 0.000 3.192 193 K HA -0.143 4.178 4.320 0.001 0.000 0.278 193 K C -0.520 176.036 176.600 -0.073 0.000 1.164 193 K CA 0.461 56.720 56.287 -0.048 0.000 0.816 193 K CB -1.332 31.142 32.500 -0.044 0.000 1.256 193 K HN 0.304 nan 8.250 nan 0.000 0.497 194 E N 0.347 120.480 120.200 -0.112 0.000 2.195 194 E HA 0.221 4.572 4.350 0.001 0.000 0.271 194 E C -0.346 176.126 176.600 -0.214 0.000 0.923 194 E CA -0.705 55.618 56.400 -0.127 0.000 0.790 194 E CB 2.094 31.726 29.700 -0.113 0.000 1.155 194 E HN 0.258 nan 8.360 nan 0.000 0.402 195 C N 4.138 123.340 119.300 -0.164 0.000 2.415 195 C HA 0.289 4.750 4.460 0.001 0.000 0.369 195 C C -1.385 173.466 174.990 -0.231 0.000 1.279 195 C CA -1.805 57.099 59.018 -0.190 0.000 1.886 195 C CB -0.288 27.410 27.740 -0.071 0.000 2.468 195 C HN 0.489 nan 8.230 nan 0.000 0.553 196 P HA -0.012 nan 4.420 nan 0.000 0.231 196 P C 0.605 177.632 177.300 -0.456 0.000 1.158 196 P CA 1.327 64.130 63.100 -0.496 0.000 0.763 196 P CB -0.125 31.157 31.700 -0.696 0.000 0.805 197 F N -1.178 118.689 119.950 -0.138 0.000 2.776 197 F HA 0.102 4.629 4.527 0.000 0.000 0.300 197 F C 1.111 176.959 175.800 0.081 0.000 1.116 197 F CA -0.295 57.657 58.000 -0.079 0.000 1.375 197 F CB -0.344 38.495 39.000 -0.268 0.000 1.109 197 F HN -0.166 nan 8.300 nan 0.000 0.585 198 D N 0.992 121.487 120.400 0.158 0.000 2.443 198 D HA -0.003 4.637 4.640 0.001 0.000 0.239 198 D C 1.100 177.483 176.300 0.137 0.000 1.136 198 D CA 0.305 54.403 54.000 0.164 0.000 0.879 198 D CB 0.731 41.586 40.800 0.093 0.000 1.195 198 D HN 0.060 nan 8.370 nan 0.000 0.443 199 M N 1.602 121.305 119.600 0.171 0.000 2.296 199 M HA 0.308 4.788 4.480 0.001 0.000 0.291 199 M C 0.847 177.203 176.300 0.093 0.000 1.013 199 M CA 0.713 56.085 55.300 0.119 0.000 1.089 199 M CB -0.593 32.080 32.600 0.121 0.000 1.677 199 M HN 0.439 nan 8.290 nan 0.000 0.584 200 G N 1.165 110.075 108.800 0.183 0.000 2.542 200 G HA2 0.102 4.062 3.960 0.001 0.000 0.235 200 G HA3 0.102 4.062 3.960 0.001 0.000 0.235 200 G C 0.624 175.597 174.900 0.121 0.000 1.286 200 G CA 0.738 45.857 45.100 0.032 0.000 0.904 200 G HN 1.680 nan 8.290 nan 0.000 0.577 201 G N -2.272 106.463 108.800 -0.109 0.000 2.160 201 G HA2 0.198 4.159 3.960 0.001 0.000 0.244 201 G HA3 0.198 4.159 3.960 0.001 0.000 0.244 201 G C 0.257 175.253 174.900 0.159 0.000 1.022 201 G CA 1.735 46.830 45.100 -0.009 0.000 0.741 201 G HN 2.304 nan 8.290 nan 0.000 0.508 202 Y N -2.592 117.699 120.300 -0.016 0.000 2.833 202 Y HA 0.894 5.444 4.550 0.001 0.000 0.319 202 Y C -0.079 175.889 175.900 0.114 0.000 1.254 202 Y CA -2.265 55.941 58.100 0.177 0.000 1.138 202 Y CB 0.835 39.356 38.460 0.101 0.000 1.352 202 Y HN 0.013 nan 8.280 nan 0.000 0.546 203 F N -0.101 119.903 119.950 0.091 0.000 2.664 203 F HA 0.689 5.217 4.527 0.000 0.000 0.329 203 F C -1.082 174.783 175.800 0.109 0.000 1.090 203 F CA -1.714 56.288 58.000 0.004 0.000 0.978 203 F CB 1.668 40.684 39.000 0.027 0.000 1.378 203 F HN 0.227 nan 8.300 nan 0.000 0.495 204 I N 2.969 123.704 120.570 0.275 0.000 2.436 204 I HA 0.414 4.584 4.170 0.001 0.000 0.289 204 I C -1.132 175.109 176.117 0.207 0.000 1.010 204 I CA -0.145 61.286 61.300 0.218 0.000 1.098 204 I CB 1.562 39.650 38.000 0.146 0.000 1.266 204 I HN 0.192 nan 8.210 nan 0.000 0.434 205 I N 6.945 127.611 120.570 0.160 0.000 2.563 205 I HA 0.270 4.441 4.170 0.001 0.000 0.276 205 I C -0.522 175.642 176.117 0.079 0.000 1.074 205 I CA -0.556 60.818 61.300 0.122 0.000 1.124 205 I CB 0.655 38.723 38.000 0.114 0.000 1.225 205 I HN 0.657 nan 8.210 nan 0.000 0.482 206 N N 4.728 123.467 118.700 0.065 0.000 2.708 206 N HA -0.208 4.533 4.740 0.001 0.000 0.255 206 N C 0.990 176.525 175.510 0.043 0.000 1.046 206 N CA 1.058 54.125 53.050 0.029 0.000 0.715 206 N CB -1.133 37.359 38.487 0.009 0.000 0.895 206 N HN 1.079 nan 8.380 nan 0.000 0.545 207 G N -0.515 108.324 108.800 0.066 0.000 5.259 207 G HA2 -0.372 3.589 3.960 0.001 0.000 0.288 207 G HA3 -0.372 3.589 3.960 0.001 0.000 0.288 207 G C 0.074 175.024 174.900 0.082 0.000 1.534 207 G CA 0.945 46.094 45.100 0.081 0.000 1.031 207 G HN 1.589 nan 8.290 nan 0.000 0.724 208 S N 1.843 117.581 115.700 0.063 0.000 2.552 208 S HA 0.403 4.873 4.470 0.001 0.000 0.289 208 S C 0.027 174.674 174.600 0.079 0.000 1.304 208 S CA 0.853 59.080 58.200 0.046 0.000 1.063 208 S CB 1.037 64.248 63.200 0.018 0.000 0.848 208 S HN 0.694 nan 8.310 nan 0.000 0.499 209 E N 2.603 122.841 120.200 0.062 0.000 1.941 209 E HA 0.185 4.535 4.350 0.001 0.000 0.275 209 E C -0.146 176.500 176.600 0.077 0.000 1.113 209 E CA -0.610 55.869 56.400 0.132 0.000 0.878 209 E CB 0.439 30.108 29.700 -0.051 0.000 1.070 209 E HN 0.412 nan 8.360 nan 0.000 0.399 210 K N 1.661 122.150 120.400 0.149 0.000 2.154 210 K HA 0.382 4.702 4.320 0.001 0.000 0.264 210 K C -0.063 176.618 176.600 0.135 0.000 1.008 210 K CA -0.644 55.692 56.287 0.082 0.000 0.937 210 K CB 1.381 33.909 32.500 0.047 0.000 1.002 210 K HN 0.155 nan 8.250 nan 0.000 0.469 211 V N 2.439 122.394 119.914 0.069 0.000 2.715 211 V HA 0.381 4.502 4.120 0.001 0.000 0.310 211 V C 0.136 176.213 176.094 -0.027 0.000 1.054 211 V CA -1.044 61.315 62.300 0.099 0.000 0.928 211 V CB 1.758 33.681 31.823 0.167 0.000 1.007 211 V HN 0.514 nan 8.190 nan 0.000 0.437 212 L N 4.553 125.731 121.223 -0.075 0.000 2.276 212 L HA 0.496 4.836 4.340 0.001 0.000 0.286 212 L C -0.393 176.404 176.870 -0.122 0.000 1.061 212 L CA -0.212 54.510 54.840 -0.198 0.000 0.807 212 L CB 1.054 42.950 42.059 -0.271 0.000 1.177 212 L HN 0.455 nan 8.230 nan 0.000 0.429 213 I N 3.651 124.121 120.570 -0.167 0.000 2.315 213 I HA 0.225 4.396 4.170 0.001 0.000 0.291 213 I C 0.788 176.820 176.117 -0.141 0.000 1.006 213 I CA -0.558 60.660 61.300 -0.136 0.000 1.265 213 I CB 1.553 39.465 38.000 -0.146 0.000 1.387 213 I HN 0.655 nan 8.210 nan 0.000 0.475 214 A N 7.678 130.441 122.820 -0.094 0.000 2.572 214 A HA -0.013 4.307 4.320 0.001 0.000 0.256 214 A C 0.375 177.913 177.584 -0.076 0.000 1.041 214 A CA 0.087 52.081 52.037 -0.072 0.000 0.790 214 A CB -0.249 18.727 19.000 -0.040 0.000 0.947 214 A HN 0.654 nan 8.150 nan 0.000 0.518 215 Q N 1.482 121.233 119.800 -0.082 0.000 2.259 215 Q HA 0.312 4.653 4.340 0.001 0.000 0.246 215 Q C 0.010 175.992 176.000 -0.031 0.000 0.920 215 Q CA -0.059 55.706 55.803 -0.065 0.000 0.895 215 Q CB 1.517 30.206 28.738 -0.080 0.000 1.220 215 Q HN 0.866 nan 8.270 nan 0.000 0.439 216 E N 1.637 121.829 120.200 -0.012 0.000 2.202 216 E HA 0.530 4.880 4.350 0.001 0.000 0.272 216 E C -0.803 175.799 176.600 0.004 0.000 0.951 216 E CA -0.547 55.858 56.400 0.010 0.000 0.813 216 E CB 1.204 30.938 29.700 0.056 0.000 1.151 216 E HN 0.585 nan 8.360 nan 0.000 0.398 217 R N 0.800 121.298 120.500 -0.004 0.000 2.716 217 R HA 0.380 4.721 4.340 0.001 0.000 0.271 217 R C -1.357 174.936 176.300 -0.011 0.000 1.028 217 R CA -0.920 55.178 56.100 -0.003 0.000 0.883 217 R CB 1.269 31.565 30.300 -0.007 0.000 1.250 217 R HN 0.358 nan 8.270 nan 0.000 0.465 218 S N 0.793 116.494 115.700 0.002 0.000 2.528 218 S HA 0.481 4.952 4.470 0.001 0.000 0.277 218 S C 0.341 174.929 174.600 -0.020 0.000 1.297 218 S CA -0.006 58.195 58.200 0.002 0.000 1.052 218 S CB 0.476 63.697 63.200 0.035 0.000 0.917 218 S HN 0.735 nan 8.310 nan 0.000 0.492 219 A N 4.151 126.940 122.820 -0.052 0.000 2.492 219 A HA 0.543 4.863 4.320 0.001 0.000 0.236 219 A C 0.875 178.429 177.584 -0.049 0.000 1.078 219 A CA 0.154 52.141 52.037 -0.084 0.000 0.773 219 A CB -0.432 18.478 19.000 -0.150 0.000 1.023 219 A HN 1.069 nan 8.150 nan 0.000 0.504 220 G N -0.654 108.111 108.800 -0.058 0.000 2.462 220 G HA2 0.447 4.408 3.960 0.001 0.000 0.319 220 G HA3 0.447 4.408 3.960 0.001 0.000 0.319 220 G C -0.194 174.669 174.900 -0.063 0.000 1.171 220 G CA -0.370 44.702 45.100 -0.048 0.000 0.920 220 G HN 0.993 nan 8.290 nan 0.000 0.499 221 N N -1.333 117.299 118.700 -0.113 0.000 2.696 221 N HA -0.174 4.567 4.740 0.001 0.000 0.256 221 N C -0.429 175.085 175.510 0.007 0.000 1.031 221 N CA 1.537 54.458 53.050 -0.215 0.000 0.730 221 N CB -1.491 36.765 38.487 -0.385 0.000 0.894 221 N HN 0.853 nan 8.380 nan 0.000 0.544 222 I N -5.049 115.557 120.570 0.061 0.000 2.752 222 I HA 0.505 4.675 4.170 0.001 0.000 0.295 222 I C 0.094 176.265 176.117 0.089 0.000 1.219 222 I CA -1.458 59.908 61.300 0.109 0.000 1.030 222 I CB 2.151 40.200 38.000 0.081 0.000 1.259 222 I HN -0.158 nan 8.210 nan 0.000 0.423 223 V N 4.966 124.931 119.914 0.084 0.000 2.439 223 V HA 0.357 4.477 4.120 0.001 0.000 0.271 223 V C -0.382 175.649 176.094 -0.105 0.000 1.040 223 V CA 0.653 62.966 62.300 0.022 0.000 1.002 223 V CB 0.707 32.567 31.823 0.062 0.000 1.000 223 V HN 0.870 nan 8.190 nan 0.000 0.477 224 Q N 5.127 124.806 119.800 -0.202 0.000 2.310 224 Q HA 0.561 4.901 4.340 0.001 0.000 0.270 224 Q C -1.262 174.348 176.000 -0.650 0.000 1.025 224 Q CA -0.729 54.794 55.803 -0.466 0.000 0.772 224 Q CB 2.603 30.988 28.738 -0.587 0.000 1.253 224 Q HN 0.699 nan 8.270 nan 0.000 0.450 225 V N 3.119 122.692 119.914 -0.569 0.000 2.394 225 V HA 0.523 4.643 4.120 0.001 0.000 0.282 225 V C -0.592 175.282 176.094 -0.367 0.000 1.031 225 V CA -0.436 61.647 62.300 -0.362 0.000 0.881 225 V CB 0.355 32.088 31.823 -0.150 0.000 0.982 225 V HN 0.609 nan 8.190 nan 0.000 0.451 226 F N 2.750 122.728 119.950 0.046 0.000 2.518 226 F HA 0.501 5.028 4.527 0.001 0.000 0.323 226 F C 0.554 176.349 175.800 -0.008 0.000 1.129 226 F CA -1.071 56.942 58.000 0.021 0.000 0.920 226 F CB 1.987 40.994 39.000 0.011 0.000 1.160 226 F HN 0.333 nan 8.300 nan 0.000 0.440 227 K N 3.666 124.155 120.400 0.147 0.000 2.270 227 K HA 0.323 4.644 4.320 0.001 0.000 0.276 227 K C -0.372 176.185 176.600 -0.071 0.000 1.023 227 K CA -0.482 55.749 56.287 -0.094 0.000 0.955 227 K CB 1.261 33.690 32.500 -0.118 0.000 0.975 227 K HN 0.602 nan 8.250 nan 0.000 0.471 228 K N 0.727 121.040 120.400 -0.145 0.000 2.185 228 K HA 0.422 4.742 4.320 0.001 0.000 0.240 228 K C -0.081 176.464 176.600 -0.091 0.000 0.983 228 K CA -0.739 55.494 56.287 -0.089 0.000 0.873 228 K CB 1.699 34.154 32.500 -0.074 0.000 1.118 228 K HN 0.667 nan 8.250 nan 0.000 0.441 229 A N 0.611 123.392 122.820 -0.065 0.000 2.325 229 A HA 0.337 4.657 4.320 0.001 0.000 0.260 229 A C 1.043 178.596 177.584 -0.051 0.000 1.133 229 A CA 0.835 52.840 52.037 -0.053 0.000 0.801 229 A CB -0.104 18.870 19.000 -0.042 0.000 1.092 229 A HN 0.850 nan 8.150 nan 0.000 0.504 230 A N -0.405 122.393 122.820 -0.038 0.000 1.843 230 A HA 0.146 4.466 4.320 0.001 0.000 0.213 230 A C -0.639 176.929 177.584 -0.026 0.000 1.202 230 A CA 1.478 53.497 52.037 -0.030 0.000 0.607 230 A CB -1.724 17.264 19.000 -0.021 0.000 0.847 230 A HN 0.574 nan 8.150 nan 0.000 0.445 231 P HA 0.072 nan 4.420 nan 0.000 0.263 231 P C -0.201 177.083 177.300 -0.027 0.000 1.386 231 P CA 0.506 63.594 63.100 -0.020 0.000 0.797 231 P CB -0.395 31.296 31.700 -0.016 0.000 1.381 232 S N -1.276 114.400 115.700 -0.039 0.000 2.475 232 S HA 0.485 4.955 4.470 0.001 0.000 0.298 232 S C -1.964 172.591 174.600 -0.075 0.000 1.119 232 S CA -1.635 56.531 58.200 -0.057 0.000 1.085 232 S CB 1.769 64.930 63.200 -0.065 0.000 1.028 232 S HN -0.190 nan 8.310 nan 0.000 0.489 233 P HA 0.116 nan 4.420 nan 0.000 0.226 233 P C -0.166 177.017 177.300 -0.195 0.000 1.153 233 P CA 0.606 63.629 63.100 -0.129 0.000 0.777 233 P CB -0.037 31.560 31.700 -0.172 0.000 0.794 234 I N -0.170 120.270 120.570 -0.218 0.000 2.359 234 I HA 0.133 4.303 4.170 0.001 0.000 0.294 234 I C 1.414 177.476 176.117 -0.092 0.000 0.987 234 I CA -0.453 60.729 61.300 -0.197 0.000 1.225 234 I CB 1.072 38.945 38.000 -0.212 0.000 1.366 234 I HN -0.090 nan 8.210 nan 0.000 0.466 235 S N 4.378 120.060 115.700 -0.029 0.000 2.514 235 S HA 0.235 4.705 4.470 0.001 0.000 0.223 235 S C 0.401 174.826 174.600 -0.291 0.000 1.046 235 S CA 0.123 58.270 58.200 -0.087 0.000 0.914 235 S CB 0.219 63.458 63.200 0.064 0.000 0.807 235 S HN 0.679 nan 8.310 nan 0.000 0.497 236 H N 0.357 119.438 119.070 0.019 0.000 2.966 236 H HA 0.575 5.131 4.556 0.001 0.000 0.347 236 H C -1.716 173.640 175.328 0.046 0.000 1.048 236 H CA -0.583 55.486 56.048 0.036 0.000 1.295 236 H CB 2.179 31.955 29.762 0.024 0.000 1.744 236 H HN 0.076 nan 8.280 nan 0.000 0.513 237 V N 1.353 121.363 119.914 0.160 0.000 2.680 237 V HA 0.687 4.807 4.120 0.001 0.000 0.309 237 V C -0.063 176.086 176.094 0.092 0.000 1.052 237 V CA -0.908 61.471 62.300 0.132 0.000 0.908 237 V CB 1.825 33.724 31.823 0.127 0.000 1.001 237 V HN 0.892 nan 8.190 nan 0.000 0.431 238 A N 3.227 126.080 122.820 0.055 0.000 2.311 238 A HA 0.779 5.100 4.320 0.001 0.000 0.306 238 A C -0.377 177.214 177.584 0.012 0.000 1.189 238 A CA -0.546 51.478 52.037 -0.023 0.000 0.791 238 A CB 0.603 19.582 19.000 -0.035 0.000 1.172 238 A HN 0.866 nan 8.150 nan 0.000 0.481 239 E N 0.934 121.122 120.200 -0.020 0.000 2.222 239 E HA 0.702 5.053 4.350 0.001 0.000 0.267 239 E C -1.305 175.324 176.600 0.048 0.000 0.963 239 E CA -0.692 55.739 56.400 0.052 0.000 0.837 239 E CB 2.715 32.484 29.700 0.116 0.000 1.183 239 E HN 0.601 nan 8.360 nan 0.000 0.403 240 I N 0.844 121.467 120.570 0.089 0.000 2.611 240 I HA 0.201 4.371 4.170 0.001 0.000 0.287 240 I C -1.143 175.026 176.117 0.087 0.000 1.184 240 I CA -0.378 60.986 61.300 0.106 0.000 1.054 240 I CB 1.047 39.162 38.000 0.192 0.000 1.257 240 I HN 0.361 nan 8.210 nan 0.000 0.435 241 R N 5.101 125.636 120.500 0.058 0.000 2.891 241 R HA 0.252 4.592 4.340 0.001 0.000 0.248 241 R C -0.200 176.103 176.300 0.004 0.000 1.439 241 R CA -0.195 55.930 56.100 0.043 0.000 1.288 241 R CB 0.172 30.495 30.300 0.039 0.000 1.212 241 R HN 0.645 nan 8.270 nan 0.000 0.605 242 S N 0.853 116.573 115.700 0.033 0.000 2.416 242 S HA 0.619 5.089 4.470 0.001 0.000 0.287 242 S C -0.089 174.548 174.600 0.061 0.000 1.139 242 S CA -0.805 57.410 58.200 0.025 0.000 1.058 242 S CB 1.750 65.069 63.200 0.198 0.000 0.967 242 S HN 0.512 nan 8.310 nan 0.000 0.495 243 A N 3.309 126.140 122.820 0.019 0.000 2.520 243 A HA 0.681 5.001 4.320 0.001 0.000 0.298 243 A C -1.019 176.599 177.584 0.057 0.000 1.051 243 A CA -1.002 51.079 52.037 0.073 0.000 0.690 243 A CB 0.831 19.876 19.000 0.075 0.000 1.281 243 A HN 0.686 nan 8.150 nan 0.000 0.402 244 L N 1.446 122.726 121.223 0.096 0.000 2.326 244 L HA 0.372 4.713 4.340 0.001 0.000 0.278 244 L C 1.519 178.433 176.870 0.074 0.000 1.092 244 L CA 0.094 54.981 54.840 0.080 0.000 0.810 244 L CB 0.733 42.841 42.059 0.081 0.000 1.153 244 L HN 0.933 nan 8.230 nan 0.000 0.439 245 E N 1.957 122.190 120.200 0.056 0.000 2.511 245 E HA -0.112 4.238 4.350 0.001 0.000 0.196 245 E C 0.351 176.985 176.600 0.056 0.000 1.066 245 E CA 0.711 57.142 56.400 0.050 0.000 0.871 245 E CB 0.009 29.732 29.700 0.038 0.000 0.863 245 E HN 0.710 nan 8.360 nan 0.000 0.520 246 K N -0.593 119.844 120.400 0.063 0.000 2.895 246 K HA 0.316 4.637 4.320 0.001 0.000 0.200 246 K C 0.232 176.880 176.600 0.081 0.000 1.133 246 K CA -0.262 56.064 56.287 0.065 0.000 1.060 246 K CB 0.856 33.386 32.500 0.050 0.000 0.735 246 K HN 0.054 nan 8.250 nan 0.000 0.451 247 G N 0.664 109.528 108.800 0.107 0.000 4.864 247 G HA2 0.393 4.353 3.960 0.001 0.000 0.280 247 G HA3 0.393 4.353 3.960 0.001 0.000 0.280 247 G C -0.338 174.705 174.900 0.239 0.000 1.239 247 G CA 0.009 45.201 45.100 0.153 0.000 0.951 247 G HN 0.236 nan 8.290 nan 0.000 0.583 248 S N -0.649 115.143 115.700 0.154 0.000 3.820 248 S HA -0.274 4.197 4.470 0.001 0.000 0.628 248 S C 0.640 175.282 174.600 0.069 0.000 2.302 248 S CA 1.101 59.356 58.200 0.093 0.000 3.868 248 S CB -0.456 62.770 63.200 0.043 0.000 0.241 248 S HN 0.871 nan 8.310 nan 0.000 0.946 249 R N 0.807 121.289 120.500 -0.029 0.000 2.674 249 R HA 0.504 4.844 4.340 0.001 0.000 0.270 249 R C -1.455 174.795 176.300 -0.083 0.000 1.492 249 R CA -0.079 56.007 56.100 -0.024 0.000 1.624 249 R CB -0.427 29.850 30.300 -0.037 0.000 1.307 249 R HN 0.363 nan 8.270 nan 0.000 0.683 250 F N 3.061 123.032 119.950 0.035 0.000 2.652 250 F HA 0.238 4.765 4.527 0.001 0.000 0.352 250 F C 0.402 176.229 175.800 0.045 0.000 1.259 250 F CA -0.417 57.608 58.000 0.042 0.000 1.249 250 F CB 0.381 39.404 39.000 0.038 0.000 1.628 250 F HN 0.193 nan 8.300 nan 0.000 0.654 251 I N 1.761 122.414 120.570 0.139 0.000 2.472 251 I HA -0.049 4.121 4.170 0.001 0.000 0.305 251 I C 0.778 176.978 176.117 0.139 0.000 1.196 251 I CA 0.402 61.769 61.300 0.113 0.000 1.613 251 I CB -0.666 37.373 38.000 0.064 0.000 1.501 251 I HN 0.230 nan 8.210 nan 0.000 0.754 252 S N 5.171 120.967 115.700 0.160 0.000 2.543 252 S HA 0.312 4.782 4.470 0.001 0.000 0.299 252 S C 0.477 175.146 174.600 0.115 0.000 1.125 252 S CA -0.612 57.682 58.200 0.157 0.000 1.098 252 S CB -0.045 63.253 63.200 0.163 0.000 1.063 252 S HN 0.668 nan 8.310 nan 0.000 0.493 253 T N 3.546 118.164 114.554 0.108 0.000 2.780 253 T HA 0.551 4.902 4.350 0.001 0.000 0.294 253 T C -0.291 174.466 174.700 0.094 0.000 0.949 253 T CA -0.778 61.378 62.100 0.093 0.000 1.074 253 T CB 0.983 69.904 68.868 0.088 0.000 0.910 253 T HN 0.475 nan 8.240 nan 0.000 0.501 254 L N 2.737 124.010 121.223 0.084 0.000 2.322 254 L HA 0.552 4.892 4.340 0.001 0.000 0.281 254 L C -0.678 176.252 176.870 0.100 0.000 1.014 254 L CA -0.352 54.539 54.840 0.085 0.000 0.815 254 L CB 1.785 43.861 42.059 0.029 0.000 1.247 254 L HN 0.763 nan 8.230 nan 0.000 0.421 255 Q N 3.997 123.866 119.800 0.114 0.000 2.321 255 Q HA 0.577 4.917 4.340 0.001 0.000 0.270 255 Q C -1.414 174.668 176.000 0.136 0.000 1.032 255 Q CA -0.854 55.020 55.803 0.119 0.000 0.784 255 Q CB 2.822 31.631 28.738 0.118 0.000 1.264 255 Q HN 0.521 nan 8.270 nan 0.000 0.448 256 V N 3.201 123.194 119.914 0.131 0.000 2.333 256 V HA 0.305 4.426 4.120 0.001 0.000 0.274 256 V C -0.260 175.921 176.094 0.144 0.000 1.028 256 V CA -0.598 61.789 62.300 0.145 0.000 0.851 256 V CB 0.805 32.709 31.823 0.136 0.000 1.000 256 V HN 0.619 nan 8.190 nan 0.000 0.456 257 K N 3.813 124.321 120.400 0.180 0.000 2.098 257 K HA 0.670 4.990 4.320 0.001 0.000 0.258 257 K C -0.904 175.835 176.600 0.231 0.000 0.973 257 K CA -0.873 55.530 56.287 0.195 0.000 0.898 257 K CB 1.834 34.474 32.500 0.233 0.000 1.057 257 K HN 0.428 nan 8.250 nan 0.000 0.447 258 L N 3.078 124.423 121.223 0.204 0.000 2.324 258 L HA 0.329 4.669 4.340 0.001 0.000 0.274 258 L C -1.456 175.548 176.870 0.223 0.000 1.012 258 L CA -0.422 54.549 54.840 0.219 0.000 0.859 258 L CB 0.116 42.273 42.059 0.163 0.000 1.224 258 L HN 0.424 nan 8.230 nan 0.000 0.429 259 Y N 3.530 123.874 120.300 0.074 0.000 2.379 259 Y HA 0.533 5.084 4.550 0.001 0.000 0.337 259 Y C 1.281 177.217 175.900 0.061 0.000 1.238 259 Y CA 0.688 58.827 58.100 0.065 0.000 1.405 259 Y CB 0.813 39.309 38.460 0.060 0.000 1.310 259 Y HN 0.882 nan 8.280 nan 0.000 0.569 260 G N 2.313 111.205 108.800 0.154 0.000 2.778 260 G HA2 -0.205 3.756 3.960 0.001 0.000 0.686 260 G HA3 -0.205 3.756 3.960 0.001 0.000 0.686 260 G C -0.542 174.406 174.900 0.080 0.000 1.309 260 G CA -0.802 44.362 45.100 0.107 0.000 0.904 260 G HN 0.688 nan 8.290 nan 0.000 0.593 261 R N 0.411 120.945 120.500 0.057 0.000 2.527 261 R HA 0.510 4.851 4.340 0.001 0.000 0.243 261 R C 0.681 177.015 176.300 0.057 0.000 1.206 261 R CA -0.820 55.312 56.100 0.053 0.000 1.134 261 R CB 0.463 30.780 30.300 0.028 0.000 1.347 261 R HN 0.624 nan 8.270 nan 0.000 0.580 262 E N 0.975 121.208 120.200 0.055 0.000 2.415 262 E HA -0.027 4.323 4.350 0.001 0.000 0.260 262 E C 0.204 176.826 176.600 0.036 0.000 1.016 262 E CA 1.099 57.528 56.400 0.048 0.000 0.924 262 E CB 0.526 30.255 29.700 0.047 0.000 0.961 262 E HN 0.777 nan 8.360 nan 0.000 0.459 263 G N 3.484 112.305 108.800 0.034 0.000 2.136 263 G HA2 -0.273 3.687 3.960 0.001 0.000 0.242 263 G HA3 -0.273 3.687 3.960 0.001 0.000 0.242 263 G C 0.406 175.325 174.900 0.032 0.000 0.989 263 G CA 0.540 45.658 45.100 0.030 0.000 0.682 263 G HN 0.606 nan 8.290 nan 0.000 0.522 264 S N -0.984 114.739 115.700 0.038 0.000 2.634 264 S HA 0.646 5.116 4.470 0.001 0.000 0.261 264 S C 1.970 176.594 174.600 0.039 0.000 1.271 264 S CA 0.740 58.964 58.200 0.040 0.000 0.985 264 S CB 1.048 64.279 63.200 0.051 0.000 0.968 264 S HN 0.540 nan 8.310 nan 0.000 0.568 265 S N 1.034 116.757 115.700 0.039 0.000 2.378 265 S HA 0.057 4.527 4.470 0.001 0.000 0.221 265 S C 0.472 175.092 174.600 0.034 0.000 1.037 265 S CA 1.357 59.577 58.200 0.034 0.000 1.069 265 S CB -0.381 62.840 63.200 0.034 0.000 1.006 265 S HN 1.025 nan 8.310 nan 0.000 0.423 266 A N 0.658 123.503 122.820 0.042 0.000 2.530 266 A HA 0.550 4.870 4.320 0.001 0.000 0.279 266 A C -0.627 176.992 177.584 0.058 0.000 1.109 266 A CA -0.619 51.443 52.037 0.041 0.000 0.763 266 A CB 0.868 19.886 19.000 0.029 0.000 1.257 266 A HN 0.281 nan 8.150 nan 0.000 0.424 267 R N 1.631 122.167 120.500 0.061 0.000 2.288 267 R HA 0.326 4.667 4.340 0.001 0.000 0.330 267 R C 0.142 176.489 176.300 0.077 0.000 1.069 267 R CA 0.251 56.402 56.100 0.086 0.000 0.941 267 R CB 0.836 31.182 30.300 0.076 0.000 0.998 267 R HN 0.704 nan 8.270 nan 0.000 0.452 268 T N 3.239 117.851 114.554 0.096 0.000 2.859 268 T HA 0.451 4.802 4.350 0.001 0.000 0.281 268 T C 0.230 174.976 174.700 0.077 0.000 1.005 268 T CA -0.723 61.408 62.100 0.052 0.000 1.025 268 T CB 0.720 69.586 68.868 -0.003 0.000 0.977 268 T HN 0.377 nan 8.240 nan 0.000 0.458 269 I N 4.488 125.093 120.570 0.058 0.000 2.331 269 I HA 0.451 4.622 4.170 0.001 0.000 0.292 269 I C 0.532 176.690 176.117 0.069 0.000 0.998 269 I CA -0.746 60.608 61.300 0.091 0.000 1.267 269 I CB 1.258 39.304 38.000 0.077 0.000 1.386 269 I HN 0.609 nan 8.210 nan 0.000 0.476 270 K N 4.508 124.971 120.400 0.105 0.000 2.263 270 K HA 0.942 5.262 4.320 0.001 0.000 0.249 270 K C -1.132 175.558 176.600 0.150 0.000 1.076 270 K CA -0.981 55.354 56.287 0.080 0.000 0.884 270 K CB 2.518 34.993 32.500 -0.041 0.000 1.394 270 K HN 0.635 nan 8.250 nan 0.000 0.476 271 A N 0.302 123.205 122.820 0.139 0.000 2.606 271 A HA 0.560 4.880 4.320 0.001 0.000 0.293 271 A C -1.325 176.345 177.584 0.142 0.000 1.082 271 A CA -0.606 51.528 52.037 0.161 0.000 0.685 271 A CB 1.821 20.933 19.000 0.187 0.000 1.284 271 A HN 0.451 nan 8.150 nan 0.000 0.408 272 T N 1.958 116.601 114.554 0.147 0.000 2.743 272 T HA 0.549 4.899 4.350 0.001 0.000 0.292 272 T C -0.496 174.289 174.700 0.141 0.000 0.972 272 T CA 0.116 62.294 62.100 0.129 0.000 0.967 272 T CB -0.089 68.852 68.868 0.121 0.000 0.926 272 T HN 0.411 nan 8.240 nan 0.000 0.459 273 L N 5.710 127.012 121.223 0.132 0.000 2.329 273 L HA 0.441 4.782 4.340 0.001 0.000 0.279 273 L C -2.200 174.766 176.870 0.159 0.000 1.014 273 L CA -2.609 52.326 54.840 0.158 0.000 0.814 273 L CB 1.854 44.000 42.059 0.146 0.000 1.257 273 L HN 0.332 nan 8.230 nan 0.000 0.424 274 P HA 0.040 nan 4.420 nan 0.000 0.264 274 P C -0.851 176.689 177.300 0.399 0.000 1.193 274 P CA 0.421 63.680 63.100 0.265 0.000 0.763 274 P CB 0.058 31.925 31.700 0.279 0.000 0.810 275 Y N -0.042 120.312 120.300 0.090 0.000 4.838 275 Y HA -0.194 4.357 4.550 0.000 0.000 0.247 275 Y C 0.195 176.177 175.900 0.137 0.000 1.009 275 Y CA -0.083 58.093 58.100 0.125 0.000 2.046 275 Y CB -1.929 36.626 38.460 0.159 0.000 1.549 275 Y HN 0.310 nan 8.280 nan 0.000 0.651 276 I N 0.045 120.730 120.570 0.192 0.000 2.533 276 I HA 0.180 4.351 4.170 0.001 0.000 0.290 276 I C 1.078 177.235 176.117 0.068 0.000 1.056 276 I CA -0.861 60.515 61.300 0.127 0.000 1.057 276 I CB 1.799 39.855 38.000 0.092 0.000 1.240 276 I HN -0.006 nan 8.210 nan 0.000 0.423 277 K N 4.710 125.136 120.400 0.043 0.000 1.971 277 K HA -0.138 4.182 4.320 0.001 0.000 0.221 277 K C 0.473 177.087 176.600 0.023 0.000 1.050 277 K CA 1.747 58.050 56.287 0.025 0.000 0.967 277 K CB 0.148 32.657 32.500 0.015 0.000 0.733 277 K HN 0.598 nan 8.250 nan 0.000 0.445 278 Q N 0.281 120.080 119.800 -0.001 0.000 2.199 278 Q HA 0.155 4.495 4.340 0.001 0.000 0.205 278 Q C -0.769 175.232 176.000 0.002 0.000 1.001 278 Q CA -0.951 54.855 55.803 0.005 0.000 1.019 278 Q CB 0.752 29.482 28.738 -0.013 0.000 1.132 278 Q HN 0.216 nan 8.270 nan 0.000 0.530 279 D N 0.070 120.483 120.400 0.022 0.000 2.312 279 D HA 0.374 5.015 4.640 0.001 0.000 0.248 279 D C -0.652 175.625 176.300 -0.038 0.000 1.086 279 D CA -0.059 53.959 54.000 0.031 0.000 0.948 279 D CB 0.824 41.682 40.800 0.098 0.000 1.162 279 D HN 0.212 nan 8.370 nan 0.000 0.446 280 I N 1.787 122.347 120.570 -0.016 0.000 2.478 280 I HA 0.231 4.401 4.170 0.001 0.000 0.287 280 I C -2.448 173.695 176.117 0.044 0.000 1.042 280 I CA -2.490 58.787 61.300 -0.038 0.000 1.067 280 I CB 1.440 39.395 38.000 -0.076 0.000 1.233 280 I HN -0.083 nan 8.210 nan 0.000 0.431 281 P HA 0.065 nan 4.420 nan 0.000 0.262 281 P C 1.183 178.554 177.300 0.119 0.000 1.182 281 P CA -0.018 63.137 63.100 0.092 0.000 0.761 281 P CB 0.572 32.345 31.700 0.121 0.000 0.795 282 I N 3.091 123.736 120.570 0.126 0.000 2.208 282 I HA -0.260 3.911 4.170 0.001 0.000 0.245 282 I C 1.927 178.186 176.117 0.237 0.000 1.097 282 I CA 1.496 62.918 61.300 0.204 0.000 1.363 282 I CB -1.790 36.343 38.000 0.221 0.000 1.051 282 I HN 0.178 nan 8.210 nan 0.000 0.413 283 V N 0.096 120.079 119.914 0.115 0.000 2.380 283 V HA -0.239 3.881 4.120 0.001 0.000 0.251 283 V C 2.509 178.676 176.094 0.122 0.000 1.063 283 V CA 1.772 64.112 62.300 0.067 0.000 1.055 283 V CB -1.250 30.582 31.823 0.015 0.000 0.657 283 V HN 0.492 nan 8.190 nan 0.000 0.455 284 I N 0.044 120.694 120.570 0.135 0.000 2.315 284 I HA -0.147 4.023 4.170 0.001 0.000 0.248 284 I C 2.672 178.852 176.117 0.105 0.000 1.117 284 I CA 1.590 62.974 61.300 0.140 0.000 1.404 284 I CB -0.813 37.328 38.000 0.234 0.000 1.071 284 I HN 0.295 nan 8.210 nan 0.000 0.419 285 I N 0.575 121.210 120.570 0.107 0.000 2.252 285 I HA -0.257 3.913 4.170 0.001 0.000 0.245 285 I C 2.661 178.746 176.117 -0.053 0.000 1.102 285 I CA 1.635 62.933 61.300 -0.004 0.000 1.385 285 I CB -1.195 36.797 38.000 -0.013 0.000 1.064 285 I HN 0.066 nan 8.210 nan 0.000 0.414 286 F N 1.391 121.285 119.950 -0.093 0.000 2.134 286 F HA -0.174 4.353 4.527 0.001 0.000 0.299 286 F C 2.830 178.560 175.800 -0.117 0.000 1.097 286 F CA 1.505 59.428 58.000 -0.128 0.000 1.264 286 F CB -0.588 38.334 39.000 -0.131 0.000 1.001 286 F HN -0.023 nan 8.300 nan 0.000 0.479 287 R N -0.286 120.286 120.500 0.120 0.000 2.075 287 R HA -0.086 4.254 4.340 0.001 0.000 0.232 287 R C 2.314 178.614 176.300 -0.000 0.000 1.126 287 R CA 1.108 57.236 56.100 0.047 0.000 0.963 287 R CB -0.674 29.652 30.300 0.044 0.000 0.858 287 R HN 0.243 nan 8.270 nan 0.000 0.435 288 A N 0.527 123.337 122.820 -0.017 0.000 2.178 288 A HA -0.086 4.234 4.320 0.001 0.000 0.218 288 A C 1.887 179.403 177.584 -0.114 0.000 1.157 288 A CA 0.943 52.945 52.037 -0.058 0.000 0.689 288 A CB -0.276 18.684 19.000 -0.067 0.000 0.787 288 A HN 0.198 nan 8.150 nan 0.000 0.465 289 L N -2.316 118.822 121.223 -0.142 0.000 2.056 289 L HA 0.209 4.550 4.340 0.001 0.000 0.202 289 L C 2.061 178.874 176.870 -0.096 0.000 1.086 289 L CA 1.423 56.158 54.840 -0.174 0.000 0.758 289 L CB -0.085 41.813 42.059 -0.269 0.000 0.912 289 L HN 0.496 nan 8.230 nan 0.000 0.446 290 G N -1.671 107.089 108.800 -0.067 0.000 4.554 290 G HA2 0.091 4.052 3.960 0.001 0.000 0.210 290 G HA3 0.091 4.052 3.960 0.001 0.000 0.210 290 G C -0.425 174.472 174.900 -0.004 0.000 0.674 290 G CA -0.460 44.622 45.100 -0.029 0.000 0.801 290 G HN 0.037 nan 8.290 nan 0.000 0.555 291 I N 2.266 122.831 120.570 -0.008 0.000 2.336 291 I HA 0.498 4.668 4.170 0.001 0.000 0.292 291 I C 0.916 177.054 176.117 0.035 0.000 0.991 291 I CA -0.752 60.561 61.300 0.021 0.000 1.227 291 I CB 1.497 39.489 38.000 -0.013 0.000 1.366 291 I HN -0.113 nan 8.210 nan 0.000 0.466 292 I N 5.690 126.276 120.570 0.027 0.000 3.136 292 I HA 0.211 4.381 4.170 0.001 0.000 0.262 292 I C -1.814 174.309 176.117 0.009 0.000 1.132 292 I CA 0.062 61.373 61.300 0.018 0.000 1.450 292 I CB -1.274 36.733 38.000 0.013 0.000 1.315 292 I HN 0.322 nan 8.210 nan 0.000 0.460 293 P HA 0.171 nan 4.420 nan 0.000 0.284 293 P C -0.751 176.537 177.300 -0.020 0.000 1.253 293 P CA -0.323 62.775 63.100 -0.002 0.000 0.800 293 P CB 0.417 32.118 31.700 0.001 0.000 0.961 294 D N 1.337 121.720 120.400 -0.027 0.000 2.383 294 D HA 0.127 4.767 4.640 0.001 0.000 0.233 294 D C 1.766 178.039 176.300 -0.046 0.000 1.233 294 D CA 1.521 55.492 54.000 -0.048 0.000 0.881 294 D CB -0.215 40.564 40.800 -0.035 0.000 1.212 294 D HN 0.702 nan 8.370 nan 0.000 0.467 295 G N 0.503 109.267 108.800 -0.060 0.000 2.377 295 G HA2 -0.435 3.526 3.960 0.001 0.000 0.250 295 G HA3 -0.435 3.526 3.960 0.001 0.000 0.250 295 G C 0.995 175.868 174.900 -0.045 0.000 1.039 295 G CA 0.866 45.934 45.100 -0.053 0.000 0.625 295 G HN 0.602 nan 8.290 nan 0.000 0.526 296 E N -0.031 120.154 120.200 -0.024 0.000 2.140 296 E HA 0.138 4.488 4.350 0.001 0.000 0.191 296 E C 2.617 179.259 176.600 0.070 0.000 0.973 296 E CA 0.405 56.823 56.400 0.030 0.000 0.829 296 E CB -0.101 29.632 29.700 0.055 0.000 0.781 296 E HN 0.451 nan 8.360 nan 0.000 0.466 297 I N 1.781 122.317 120.570 -0.056 0.000 2.151 297 I HA -0.296 3.874 4.170 0.001 0.000 0.243 297 I C 2.301 178.274 176.117 -0.240 0.000 1.080 297 I CA 1.314 62.459 61.300 -0.258 0.000 1.339 297 I CB -0.958 36.813 38.000 -0.381 0.000 1.039 297 I HN 0.314 nan 8.210 nan 0.000 0.409 298 L N 0.060 121.189 121.223 -0.156 0.000 2.465 298 L HA -0.100 4.240 4.340 0.001 0.000 0.224 298 L C 2.209 179.030 176.870 -0.081 0.000 1.145 298 L CA 0.782 55.542 54.840 -0.134 0.000 0.834 298 L CB -0.546 41.454 42.059 -0.099 0.000 0.944 298 L HN 0.296 nan 8.230 nan 0.000 0.451 299 E N -0.720 119.463 120.200 -0.029 0.000 2.318 299 E HA -0.073 4.277 4.350 0.001 0.000 0.193 299 E C 1.907 178.485 176.600 -0.037 0.000 0.998 299 E CA 0.479 56.875 56.400 -0.006 0.000 0.859 299 E CB 0.163 29.865 29.700 0.003 0.000 0.812 299 E HN 0.610 nan 8.360 nan 0.000 0.492 300 H N -0.309 118.685 119.070 -0.127 0.000 2.436 300 H HA 0.076 4.632 4.556 0.000 0.000 0.294 300 H C 2.076 177.390 175.328 -0.023 0.000 1.048 300 H CA 0.624 56.595 56.048 -0.128 0.000 1.353 300 H CB 0.646 30.379 29.762 -0.049 0.000 1.414 300 H HN 0.119 nan 8.280 nan 0.000 0.536 301 I N 0.286 120.824 120.570 -0.054 0.000 2.641 301 I HA -0.120 4.051 4.170 0.001 0.000 0.232 301 I C 1.339 177.164 176.117 -0.488 0.000 1.060 301 I CA 0.112 61.299 61.300 -0.189 0.000 1.417 301 I CB 0.279 38.188 38.000 -0.152 0.000 1.227 301 I HN 0.142 nan 8.210 nan 0.000 0.434 302 C N 0.395 119.499 119.300 -0.327 0.000 2.601 302 C HA 0.101 4.561 4.460 0.001 0.000 0.409 302 C C 1.238 176.065 174.990 -0.272 0.000 1.293 302 C CA -0.209 58.637 59.018 -0.288 0.000 2.101 302 C CB -0.391 27.276 27.740 -0.121 0.000 2.639 302 C HN 0.468 nan 8.230 nan 0.000 0.592 303 Y N 0.675 121.049 120.300 0.123 0.000 2.535 303 Y HA 0.237 4.787 4.550 0.000 0.000 0.266 303 Y C 0.838 176.809 175.900 0.119 0.000 1.088 303 Y CA -0.123 58.072 58.100 0.159 0.000 1.285 303 Y CB 0.240 38.846 38.460 0.243 0.000 1.166 303 Y HN 0.653 nan 8.280 nan 0.000 0.525 304 D N 0.414 120.942 120.400 0.213 0.000 2.460 304 D HA 0.179 4.820 4.640 0.001 0.000 0.232 304 D C 0.554 176.919 176.300 0.108 0.000 1.079 304 D CA -0.209 53.883 54.000 0.153 0.000 0.864 304 D CB 1.550 42.429 40.800 0.132 0.000 1.048 304 D HN -0.011 nan 8.370 nan 0.000 0.523 305 V N 3.149 123.126 119.914 0.105 0.000 3.383 305 V HA -0.062 4.059 4.120 0.001 0.000 0.272 305 V C 1.788 177.935 176.094 0.088 0.000 1.181 305 V CA 0.457 62.806 62.300 0.081 0.000 1.171 305 V CB -0.903 30.959 31.823 0.066 0.000 0.800 305 V HN 0.471 nan 8.190 nan 0.000 0.515 306 N N 0.608 119.366 118.700 0.097 0.000 2.124 306 N HA -0.051 4.689 4.740 0.001 0.000 0.188 306 N C 0.681 176.283 175.510 0.155 0.000 1.045 306 N CA 0.951 54.068 53.050 0.112 0.000 0.846 306 N CB -0.204 38.342 38.487 0.098 0.000 1.020 306 N HN 0.382 nan 8.380 nan 0.000 0.432 307 D N 2.301 122.766 120.400 0.107 0.000 2.398 307 D HA -0.055 4.585 4.640 0.001 0.000 0.250 307 D C 1.475 177.782 176.300 0.012 0.000 1.287 307 D CA -0.251 53.780 54.000 0.052 0.000 0.992 307 D CB -0.180 40.602 40.800 -0.029 0.000 1.071 307 D HN 0.392 nan 8.370 nan 0.000 0.514 308 W N 3.052 124.350 121.300 -0.004 0.000 2.335 308 W HA -0.231 4.429 4.660 0.001 0.000 0.311 308 W C 1.173 177.681 176.519 -0.018 0.000 1.213 308 W CA 0.515 57.852 57.345 -0.012 0.000 1.274 308 W CB -0.983 28.471 29.460 -0.011 0.000 1.148 308 W HN 0.309 nan 8.180 nan 0.000 0.498 309 Q N 0.218 119.531 119.800 -0.811 0.000 2.096 309 Q HA -0.284 4.057 4.340 0.001 0.000 0.208 309 Q C 2.407 178.237 176.000 -0.285 0.000 0.993 309 Q CA 2.263 57.629 55.803 -0.728 0.000 0.862 309 Q CB -0.671 27.497 28.738 -0.950 0.000 0.915 309 Q HN 0.104 nan 8.270 nan 0.000 0.416 310 M N 0.792 120.246 119.600 -0.244 0.000 2.226 310 M HA -0.232 4.248 4.480 0.001 0.000 0.257 310 M C 2.171 178.423 176.300 -0.080 0.000 1.070 310 M CA 1.822 57.037 55.300 -0.141 0.000 1.087 310 M CB -0.943 31.589 32.600 -0.115 0.000 1.278 310 M HN 0.258 nan 8.290 nan 0.000 0.426 311 L N -0.754 120.453 121.223 -0.027 0.000 2.012 311 L HA -0.227 4.114 4.340 0.001 0.000 0.210 311 L C 2.282 179.171 176.870 0.032 0.000 1.073 311 L CA 1.767 56.616 54.840 0.015 0.000 0.748 311 L CB -0.856 41.245 42.059 0.069 0.000 0.891 311 L HN 0.286 nan 8.230 nan 0.000 0.431 312 E N -0.384 119.867 120.200 0.086 0.000 2.333 312 E HA -0.201 4.150 4.350 0.001 0.000 0.198 312 E C 2.132 178.753 176.600 0.035 0.000 1.007 312 E CA 0.870 57.333 56.400 0.106 0.000 0.845 312 E CB 0.064 29.908 29.700 0.240 0.000 0.766 312 E HN 0.275 nan 8.360 nan 0.000 0.507 313 M N -0.598 118.995 119.600 -0.012 0.000 2.349 313 M HA -0.009 4.471 4.480 0.001 0.000 0.266 313 M C 1.536 177.823 176.300 -0.022 0.000 1.076 313 M CA 0.954 56.236 55.300 -0.030 0.000 1.126 313 M CB -0.162 32.399 32.600 -0.065 0.000 1.392 313 M HN 0.220 nan 8.290 nan 0.000 0.440 314 L N -0.927 120.280 121.223 -0.025 0.000 2.529 314 L HA -0.043 4.297 4.340 0.001 0.000 0.223 314 L C 2.241 179.096 176.870 -0.024 0.000 1.113 314 L CA 0.100 54.920 54.840 -0.034 0.000 0.861 314 L CB -0.339 41.685 42.059 -0.058 0.000 1.012 314 L HN 0.154 nan 8.230 nan 0.000 0.461 315 K N 0.675 121.068 120.400 -0.011 0.000 2.059 315 K HA -0.203 4.117 4.320 0.001 0.000 0.212 315 K C -0.377 176.214 176.600 -0.014 0.000 1.050 315 K CA 1.707 57.986 56.287 -0.012 0.000 0.927 315 K CB -1.411 31.087 32.500 -0.003 0.000 0.714 315 K HN 0.294 nan 8.250 nan 0.000 0.447 316 P HA -0.117 nan 4.420 nan 0.000 0.218 316 P C 1.279 178.583 177.300 0.006 0.000 1.148 316 P CA 1.180 64.282 63.100 0.002 0.000 0.822 316 P CB -0.096 31.612 31.700 0.014 0.000 0.784 317 C N -1.496 117.804 119.300 0.001 0.000 2.508 317 C HA -0.051 4.410 4.460 0.001 0.000 0.280 317 C C 2.691 177.687 174.990 0.010 0.000 1.262 317 C CA 0.279 59.300 59.018 0.005 0.000 1.706 317 C CB -1.541 26.192 27.740 -0.012 0.000 2.078 317 C HN 0.088 nan 8.230 nan 0.000 0.480 318 V N 1.713 121.622 119.914 -0.009 0.000 2.231 318 V HA -0.306 3.815 4.120 0.001 0.000 0.250 318 V C 2.255 178.369 176.094 0.034 0.000 1.058 318 V CA 2.371 64.670 62.300 -0.001 0.000 1.022 318 V CB -1.044 30.766 31.823 -0.023 0.000 0.640 318 V HN 0.610 nan 8.190 nan 0.000 0.445 319 E N -0.470 119.732 120.200 0.003 0.000 2.510 319 E HA -0.212 4.139 4.350 0.001 0.000 0.202 319 E C 1.441 178.085 176.600 0.074 0.000 1.072 319 E CA 0.841 57.225 56.400 -0.026 0.000 0.883 319 E CB -0.128 29.520 29.700 -0.086 0.000 0.818 319 E HN 0.577 nan 8.360 nan 0.000 0.548 320 D N -0.853 119.607 120.400 0.101 0.000 2.389 320 D HA 0.021 4.662 4.640 0.001 0.000 0.206 320 D C 1.404 177.784 176.300 0.133 0.000 1.055 320 D CA 0.383 54.456 54.000 0.123 0.000 0.856 320 D CB 0.416 41.253 40.800 0.063 0.000 0.957 320 D HN 0.155 nan 8.370 nan 0.000 0.509 321 G N -0.139 108.745 108.800 0.140 0.000 3.453 321 G HA2 0.040 4.000 3.960 0.001 0.000 0.263 321 G HA3 0.040 4.000 3.960 0.001 0.000 0.263 321 G C 0.919 175.876 174.900 0.095 0.000 1.060 321 G CA -0.263 44.885 45.100 0.081 0.000 0.793 321 G HN 0.324 nan 8.290 nan 0.000 0.532 322 F N 0.088 120.012 119.950 -0.044 0.000 2.771 322 F HA 0.148 4.676 4.527 0.000 0.000 0.299 322 F C 1.349 177.117 175.800 -0.052 0.000 1.177 322 F CA 0.100 58.074 58.000 -0.043 0.000 1.450 322 F CB 0.064 39.042 39.000 -0.037 0.000 1.114 322 F HN -0.043 nan 8.300 nan 0.000 0.587 323 V N 1.065 120.640 119.914 -0.566 0.000 2.878 323 V HA 0.066 4.187 4.120 0.001 0.000 0.250 323 V C 0.902 176.806 176.094 -0.317 0.000 1.075 323 V CA 0.660 62.600 62.300 -0.600 0.000 1.096 323 V CB -0.186 31.311 31.823 -0.543 0.000 0.724 323 V HN 0.282 nan 8.190 nan 0.000 0.467 324 I N 0.402 120.854 120.570 -0.198 0.000 2.411 324 I HA 0.315 4.485 4.170 0.001 0.000 0.284 324 I C 0.439 176.524 176.117 -0.053 0.000 1.012 324 I CA -0.059 61.174 61.300 -0.112 0.000 1.119 324 I CB 1.967 39.922 38.000 -0.075 0.000 1.261 324 I HN 0.035 nan 8.210 nan 0.000 0.448 325 Q N 3.766 123.539 119.800 -0.045 0.000 2.211 325 Q HA 0.096 4.436 4.340 0.001 0.000 0.242 325 Q C -0.602 175.392 176.000 -0.011 0.000 0.825 325 Q CA 0.054 55.846 55.803 -0.018 0.000 0.951 325 Q CB 0.615 29.344 28.738 -0.016 0.000 1.130 325 Q HN 0.720 nan 8.270 nan 0.000 0.496 326 D N -1.528 118.862 120.400 -0.016 0.000 2.252 326 D HA 0.251 4.891 4.640 0.001 0.000 0.245 326 D C 0.497 176.794 176.300 -0.005 0.000 1.009 326 D CA -0.662 53.332 54.000 -0.010 0.000 0.870 326 D CB 1.008 41.800 40.800 -0.015 0.000 1.251 326 D HN -0.167 nan 8.370 nan 0.000 0.460 327 R N 1.098 121.596 120.500 -0.004 0.000 2.122 327 R HA -0.189 4.151 4.340 0.001 0.000 0.236 327 R C 1.557 177.854 176.300 -0.004 0.000 1.129 327 R CA 1.844 57.941 56.100 -0.004 0.000 0.925 327 R CB -0.461 29.836 30.300 -0.006 0.000 0.850 327 R HN 0.695 nan 8.270 nan 0.000 0.431 328 E N -0.276 119.921 120.200 -0.004 0.000 2.019 328 E HA -0.191 4.160 4.350 0.001 0.000 0.208 328 E C 1.725 178.328 176.600 0.005 0.000 1.030 328 E CA 2.070 58.469 56.400 -0.001 0.000 0.856 328 E CB -0.423 29.276 29.700 -0.002 0.000 0.781 328 E HN 0.476 nan 8.360 nan 0.000 0.471 329 T N -1.387 113.170 114.554 0.005 0.000 3.284 329 T HA 0.325 4.676 4.350 0.001 0.000 0.252 329 T C 1.557 176.275 174.700 0.030 0.000 1.144 329 T CA 0.420 62.529 62.100 0.015 0.000 1.021 329 T CB 0.186 69.054 68.868 -0.000 0.000 0.984 329 T HN 0.226 nan 8.240 nan 0.000 0.545 330 A N 1.118 123.953 122.820 0.024 0.000 2.070 330 A HA 0.226 4.546 4.320 0.001 0.000 0.220 330 A C 1.904 179.523 177.584 0.058 0.000 1.159 330 A CA 0.891 52.952 52.037 0.039 0.000 0.656 330 A CB -0.445 18.566 19.000 0.018 0.000 0.800 330 A HN 0.557 nan 8.150 nan 0.000 0.453 331 L N -1.227 120.022 121.223 0.043 0.000 2.590 331 L HA 0.131 4.472 4.340 0.001 0.000 0.227 331 L C 1.742 178.655 176.870 0.073 0.000 1.099 331 L CA 0.687 55.550 54.840 0.039 0.000 0.872 331 L CB -0.033 42.032 42.059 0.008 0.000 1.088 331 L HN 0.204 nan 8.230 nan 0.000 0.479 332 D N 0.152 120.603 120.400 0.085 0.000 2.123 332 D HA -0.266 4.375 4.640 0.001 0.000 0.196 332 D C 2.033 178.442 176.300 0.183 0.000 0.992 332 D CA 1.294 55.355 54.000 0.101 0.000 0.833 332 D CB 0.061 40.902 40.800 0.068 0.000 0.954 332 D HN 0.215 nan 8.370 nan 0.000 0.455 333 F N 0.761 120.712 119.950 0.001 0.000 2.234 333 F HA 0.064 4.591 4.527 0.001 0.000 0.299 333 F C 1.183 176.996 175.800 0.021 0.000 1.087 333 F CA 0.402 58.405 58.000 0.004 0.000 1.340 333 F CB -0.284 38.713 39.000 -0.006 0.000 1.031 333 F HN -0.139 nan 8.300 nan 0.000 0.500 334 I N 0.496 121.079 120.570 0.022 0.000 2.571 334 I HA 0.214 4.385 4.170 0.001 0.000 0.282 334 I C 1.034 177.181 176.117 0.049 0.000 1.085 334 I CA 0.404 61.676 61.300 -0.046 0.000 1.677 334 I CB -0.229 37.747 38.000 -0.039 0.000 1.460 334 I HN 0.182 nan 8.210 nan 0.000 0.693 335 G N 1.041 109.874 108.800 0.056 0.000 5.253 335 G HA2 0.106 4.067 3.960 0.001 0.000 0.238 335 G HA3 0.106 4.067 3.960 0.001 0.000 0.238 335 G C 0.811 175.745 174.900 0.056 0.000 0.867 335 G CA -0.417 44.738 45.100 0.093 0.000 0.717 335 G HN 0.115 nan 8.290 nan 0.000 0.405 336 R N 0.334 120.854 120.500 0.034 0.000 2.334 336 R HA 0.282 4.623 4.340 0.001 0.000 0.220 336 R C 2.207 178.515 176.300 0.013 0.000 0.917 336 R CA -0.324 55.788 56.100 0.019 0.000 1.073 336 R CB -0.189 30.110 30.300 -0.002 0.000 1.056 336 R HN 0.290 nan 8.270 nan 0.000 0.506 337 R N -0.282 120.228 120.500 0.017 0.000 2.115 337 R HA -0.067 4.274 4.340 0.001 0.000 0.239 337 R C 0.569 176.835 176.300 -0.056 0.000 1.133 337 R CA 1.971 58.056 56.100 -0.025 0.000 0.935 337 R CB -0.905 29.288 30.300 -0.178 0.000 0.853 337 R HN 0.216 nan 8.270 nan 0.000 0.433 338 G N -1.751 107.004 108.800 -0.074 0.000 2.434 338 G HA2 0.334 4.294 3.960 0.001 0.000 0.330 338 G HA3 0.334 4.294 3.960 0.001 0.000 0.330 338 G C -0.809 174.075 174.900 -0.026 0.000 1.155 338 G CA -0.096 44.970 45.100 -0.057 0.000 0.917 338 G HN 0.355 nan 8.290 nan 0.000 0.493 339 T N -1.371 113.172 114.554 -0.018 0.000 4.219 339 T HA 0.425 4.776 4.350 0.001 0.000 0.263 339 T C 0.956 175.654 174.700 -0.004 0.000 1.217 339 T CA 0.634 62.730 62.100 -0.006 0.000 1.145 339 T CB -0.236 68.630 68.868 -0.004 0.000 1.298 339 T HN 2.199 nan 8.240 nan 0.000 0.999 340 A N 2.126 124.945 122.820 -0.002 0.000 3.434 340 A HA -0.090 4.230 4.320 0.001 0.000 0.248 340 A C 0.497 178.077 177.584 -0.007 0.000 1.326 340 A CA -0.089 51.949 52.037 0.001 0.000 0.792 340 A CB -2.443 16.559 19.000 0.003 0.000 1.015 340 A HN 0.782 nan 8.150 nan 0.000 0.533 341 L N 0.274 121.488 121.223 -0.015 0.000 2.388 341 L HA 0.220 4.561 4.340 0.001 0.000 0.252 341 L C 1.827 178.691 176.870 -0.011 0.000 1.357 341 L CA 0.474 55.299 54.840 -0.024 0.000 1.214 341 L CB -0.421 41.609 42.059 -0.048 0.000 1.392 341 L HN 0.689 nan 8.230 nan 0.000 0.432 342 G N 1.472 110.269 108.800 -0.005 0.000 2.484 342 G HA2 -0.170 3.790 3.960 0.001 0.000 0.218 342 G HA3 -0.170 3.790 3.960 0.001 0.000 0.218 342 G C 1.473 176.373 174.900 -0.001 0.000 1.130 342 G CA 0.335 45.436 45.100 0.000 0.000 0.784 342 G HN 0.724 nan 8.290 nan 0.000 0.543 343 I N -1.445 119.122 120.570 -0.005 0.000 2.335 343 I HA -0.051 4.119 4.170 0.001 0.000 0.251 343 I C 1.627 177.743 176.117 -0.002 0.000 1.129 343 I CA 1.420 62.718 61.300 -0.004 0.000 1.402 343 I CB -0.184 37.812 38.000 -0.007 0.000 1.069 343 I HN -0.021 nan 8.210 nan 0.000 0.424 344 K N 1.252 121.650 120.400 -0.003 0.000 2.577 344 K HA 0.137 4.458 4.320 0.001 0.000 0.210 344 K C 1.378 177.987 176.600 0.015 0.000 1.048 344 K CA -0.319 55.970 56.287 0.004 0.000 1.188 344 K CB 0.216 32.712 32.500 -0.007 0.000 0.910 344 K HN 0.148 nan 8.250 nan 0.000 0.483 345 K N 1.558 121.965 120.400 0.012 0.000 2.107 345 K HA -0.218 4.102 4.320 0.001 0.000 0.211 345 K C 0.751 177.363 176.600 0.020 0.000 1.049 345 K CA 1.845 58.142 56.287 0.017 0.000 0.927 345 K CB 0.264 32.771 32.500 0.011 0.000 0.714 345 K HN 0.233 nan 8.250 nan 0.000 0.452 346 E N -0.736 119.474 120.200 0.018 0.000 2.474 346 E HA 0.042 4.393 4.350 0.001 0.000 0.195 346 E C 1.255 177.871 176.600 0.027 0.000 1.039 346 E CA 0.260 56.671 56.400 0.019 0.000 0.881 346 E CB 0.491 30.198 29.700 0.013 0.000 0.970 346 E HN 0.208 nan 8.360 nan 0.000 0.486 347 K N 0.064 120.483 120.400 0.032 0.000 2.335 347 K HA 0.102 4.422 4.320 0.001 0.000 0.195 347 K C 1.908 178.557 176.600 0.082 0.000 1.058 347 K CA 0.153 56.467 56.287 0.045 0.000 0.988 347 K CB 0.360 32.878 32.500 0.030 0.000 0.880 347 K HN 0.019 nan 8.250 nan 0.000 0.513 348 R N 0.789 121.334 120.500 0.076 0.000 2.115 348 R HA -0.005 4.336 4.340 0.001 0.000 0.226 348 R C 1.724 178.116 176.300 0.154 0.000 1.100 348 R CA 1.011 57.188 56.100 0.128 0.000 0.980 348 R CB -0.587 29.761 30.300 0.080 0.000 0.875 348 R HN -0.059 nan 8.270 nan 0.000 0.445 349 I N 1.981 122.603 120.570 0.085 0.000 2.179 349 I HA -0.235 3.935 4.170 0.001 0.000 0.242 349 I C 2.331 178.473 176.117 0.041 0.000 1.088 349 I CA 1.507 62.839 61.300 0.053 0.000 1.357 349 I CB -0.335 37.682 38.000 0.029 0.000 1.051 349 I HN 0.155 nan 8.210 nan 0.000 0.409 350 Q N -1.005 118.826 119.800 0.051 0.000 2.436 350 Q HA -0.173 4.168 4.340 0.001 0.000 0.209 350 Q C 1.987 178.024 176.000 0.062 0.000 0.965 350 Q CA 1.061 56.886 55.803 0.036 0.000 0.910 350 Q CB -0.407 28.352 28.738 0.035 0.000 0.980 350 Q HN 0.654 nan 8.270 nan 0.000 0.491 351 Y N 0.560 120.850 120.300 -0.016 0.000 2.206 351 Y HA -0.046 4.504 4.550 0.000 0.000 0.292 351 Y C 2.204 178.087 175.900 -0.029 0.000 1.123 351 Y CA 1.341 59.430 58.100 -0.019 0.000 1.142 351 Y CB 0.017 38.476 38.460 -0.002 0.000 1.006 351 Y HN 0.072 nan 8.280 nan 0.000 0.518 352 A N 0.876 123.639 122.820 -0.096 0.000 1.897 352 A HA -0.120 4.201 4.320 0.001 0.000 0.215 352 A C 2.259 179.736 177.584 -0.179 0.000 1.181 352 A CA 1.436 53.364 52.037 -0.182 0.000 0.620 352 A CB -0.673 18.300 19.000 -0.044 0.000 0.821 352 A HN 0.377 nan 8.150 nan 0.000 0.443 353 K N 0.816 121.151 120.400 -0.109 0.000 2.059 353 K HA -0.243 4.077 4.320 0.001 0.000 0.212 353 K C 1.292 177.823 176.600 -0.115 0.000 1.050 353 K CA 2.229 58.460 56.287 -0.094 0.000 0.927 353 K CB -0.362 32.106 32.500 -0.054 0.000 0.714 353 K HN 0.671 nan 8.250 nan 0.000 0.447 354 D N -0.268 120.048 120.400 -0.140 0.000 2.333 354 D HA -0.078 4.562 4.640 0.001 0.000 0.208 354 D C 2.110 178.292 176.300 -0.197 0.000 0.984 354 D CA 0.232 54.146 54.000 -0.143 0.000 0.873 354 D CB -0.442 40.284 40.800 -0.124 0.000 0.935 354 D HN 0.263 nan 8.370 nan 0.000 0.521 355 I N 0.357 120.760 120.570 -0.279 0.000 2.361 355 I HA -0.151 4.019 4.170 0.001 0.000 0.251 355 I C 1.600 177.632 176.117 -0.142 0.000 1.133 355 I CA 0.866 61.992 61.300 -0.290 0.000 1.413 355 I CB 0.088 37.846 38.000 -0.403 0.000 1.073 355 I HN 0.005 nan 8.210 nan 0.000 0.424 356 L N -0.003 121.137 121.223 -0.137 0.000 2.653 356 L HA 0.037 4.377 4.340 0.001 0.000 0.232 356 L C 1.704 178.553 176.870 -0.035 0.000 1.169 356 L CA 0.122 54.904 54.840 -0.098 0.000 0.951 356 L CB -0.257 41.649 42.059 -0.254 0.000 1.181 356 L HN 0.323 nan 8.230 nan 0.000 0.460 357 Q N -0.506 119.262 119.800 -0.054 0.000 2.442 357 Q HA 0.059 4.399 4.340 0.001 0.000 0.228 357 Q C 1.445 177.411 176.000 -0.057 0.000 0.902 357 Q CA 0.466 56.247 55.803 -0.037 0.000 0.933 357 Q CB 0.738 29.445 28.738 -0.052 0.000 1.071 357 Q HN 0.453 nan 8.270 nan 0.000 0.562 358 K N -0.001 120.343 120.400 -0.094 0.000 2.324 358 K HA 0.064 4.384 4.320 0.001 0.000 0.222 358 K C 1.672 178.214 176.600 -0.097 0.000 1.107 358 K CA 0.178 56.382 56.287 -0.138 0.000 0.873 358 K CB 0.297 32.667 32.500 -0.216 0.000 1.270 358 K HN -0.094 nan 8.250 nan 0.000 0.456 359 E N 0.895 121.043 120.200 -0.086 0.000 2.268 359 E HA -0.099 4.251 4.350 0.001 0.000 0.195 359 E C 0.176 176.824 176.600 0.078 0.000 0.995 359 E CA 0.608 57.000 56.400 -0.013 0.000 0.836 359 E CB -0.152 29.526 29.700 -0.037 0.000 0.763 359 E HN 0.126 nan 8.360 nan 0.000 0.491 360 F N 1.393 121.304 119.950 -0.065 0.000 2.371 360 F HA 0.237 4.765 4.527 0.001 0.000 0.363 360 F C -0.029 175.730 175.800 -0.070 0.000 1.122 360 F CA -0.985 56.990 58.000 -0.043 0.000 1.129 360 F CB 0.308 39.273 39.000 -0.059 0.000 1.173 360 F HN -0.215 nan 8.300 nan 0.000 0.489 361 L N 7.737 128.684 121.223 -0.460 0.000 3.823 361 L HA -0.232 4.108 4.340 0.001 0.000 0.525 361 L C -1.928 174.765 176.870 -0.295 0.000 1.247 361 L CA 0.079 54.648 54.840 -0.451 0.000 0.776 361 L CB -1.231 40.390 42.059 -0.730 0.000 1.443 361 L HN 0.521 nan 8.230 nan 0.000 0.831 362 P HA -0.149 nan 4.420 nan 0.000 0.221 362 P C 0.786 178.048 177.300 -0.064 0.000 1.145 362 P CA 1.729 64.785 63.100 -0.075 0.000 0.795 362 P CB -0.060 31.633 31.700 -0.013 0.000 0.775 363 H N -1.546 117.436 119.070 -0.147 0.000 2.277 363 H HA 0.177 4.734 4.556 0.001 0.000 0.301 363 H C 1.444 176.622 175.328 -0.251 0.000 1.655 363 H CA -0.344 55.605 56.048 -0.165 0.000 1.483 363 H CB -0.080 29.604 29.762 -0.130 0.000 1.741 363 H HN -0.248 nan 8.280 nan 0.000 0.712 364 I N -1.869 118.444 120.570 -0.427 0.000 4.381 364 I HA -0.383 3.787 4.170 0.001 0.000 0.070 364 I C 0.880 176.737 176.117 -0.434 0.000 0.586 364 I CA 2.403 63.401 61.300 -0.505 0.000 1.055 364 I CB -2.026 35.567 38.000 -0.679 0.000 0.943 364 I HN 0.955 nan 8.210 nan 0.000 0.171 365 T N -1.567 112.736 114.554 -0.418 0.000 2.726 365 T HA 0.332 4.682 4.350 0.001 0.000 0.314 365 T C -0.697 173.828 174.700 -0.292 0.000 1.836 365 T CA 0.235 62.068 62.100 -0.445 0.000 0.999 365 T CB 1.419 69.713 68.868 -0.956 0.000 1.800 365 T HN 0.368 nan 8.240 nan 0.000 0.507 366 Q N 1.170 120.842 119.800 -0.213 0.000 2.057 366 Q HA 0.430 4.770 4.340 0.001 0.000 0.216 366 Q C -0.024 175.949 176.000 -0.044 0.000 0.788 366 Q CA -0.119 55.612 55.803 -0.119 0.000 1.053 366 Q CB 0.382 29.047 28.738 -0.122 0.000 1.210 366 Q HN 0.602 nan 8.270 nan 0.000 0.455 367 L N -0.301 120.936 121.223 0.024 0.000 2.744 367 L HA 0.315 4.655 4.340 0.001 0.000 0.218 367 L C 1.518 178.517 176.870 0.215 0.000 1.190 367 L CA -0.243 54.696 54.840 0.164 0.000 0.869 367 L CB 0.142 42.404 42.059 0.339 0.000 1.652 367 L HN 0.137 nan 8.230 nan 0.000 0.519 368 E N 0.383 120.686 120.200 0.171 0.000 2.038 368 E HA -0.039 4.312 4.350 0.001 0.000 0.190 368 E C 1.290 177.911 176.600 0.035 0.000 0.967 368 E CA 0.568 57.012 56.400 0.073 0.000 0.816 368 E CB -0.093 29.613 29.700 0.009 0.000 0.784 368 E HN 0.770 nan 8.360 nan 0.000 0.456 369 G N 0.894 109.603 108.800 -0.150 0.000 3.263 369 G HA2 0.169 4.129 3.960 0.001 0.000 0.246 369 G HA3 0.169 4.129 3.960 0.001 0.000 0.246 369 G C -0.790 173.675 174.900 -0.724 0.000 0.982 369 G CA -0.059 44.803 45.100 -0.396 0.000 1.897 369 G HN 0.059 nan 8.290 nan 0.000 0.624 370 F N -0.905 119.031 119.950 -0.024 0.000 2.831 370 F HA 0.385 4.913 4.527 0.001 0.000 0.346 370 F C 0.392 176.182 175.800 -0.018 0.000 1.224 370 F CA -0.803 57.185 58.000 -0.020 0.000 1.048 370 F CB 2.156 41.136 39.000 -0.032 0.000 1.339 370 F HN 0.175 nan 8.300 nan 0.000 0.514 371 E N -0.130 120.151 120.200 0.136 0.000 2.444 371 E HA -0.013 4.337 4.350 0.001 0.000 0.209 371 E C 1.772 178.435 176.600 0.105 0.000 0.806 371 E CA 0.525 56.970 56.400 0.075 0.000 1.240 371 E CB 0.487 30.192 29.700 0.008 0.000 1.238 371 E HN 0.449 nan 8.360 nan 0.000 0.591 372 S N 0.695 116.496 115.700 0.168 0.000 2.515 372 S HA 0.046 4.516 4.470 0.001 0.000 0.231 372 S C 1.791 176.610 174.600 0.365 0.000 0.987 372 S CA 0.167 58.555 58.200 0.313 0.000 0.936 372 S CB 0.041 63.449 63.200 0.348 0.000 0.766 372 S HN 0.012 nan 8.310 nan 0.000 0.528 373 R N 1.863 122.503 120.500 0.232 0.000 2.073 373 R HA 0.155 4.496 4.340 0.001 0.000 0.229 373 R C 1.793 178.200 176.300 0.177 0.000 1.120 373 R CA 1.148 57.339 56.100 0.151 0.000 0.967 373 R CB -0.322 30.040 30.300 0.104 0.000 0.862 373 R HN 0.515 nan 8.270 nan 0.000 0.436 374 K N -0.222 120.287 120.400 0.181 0.000 2.379 374 K HA 0.179 4.499 4.320 0.001 0.000 0.194 374 K C 1.835 178.594 176.600 0.266 0.000 1.031 374 K CA 0.560 56.989 56.287 0.237 0.000 1.037 374 K CB 0.369 33.049 32.500 0.300 0.000 0.824 374 K HN 0.039 nan 8.250 nan 0.000 0.516 375 A N 0.829 123.738 122.820 0.150 0.000 1.874 375 A HA -0.020 4.301 4.320 0.001 0.000 0.214 375 A C 1.742 179.493 177.584 0.280 0.000 1.189 375 A CA 0.793 52.783 52.037 -0.078 0.000 0.615 375 A CB -0.586 18.245 19.000 -0.282 0.000 0.830 375 A HN 0.156 nan 8.150 nan 0.000 0.443 376 F N -1.555 118.674 119.950 0.466 0.000 2.250 376 F HA -0.120 4.407 4.527 0.000 0.000 0.301 376 F C 1.921 178.166 175.800 0.741 0.000 1.077 376 F CA 1.453 59.778 58.000 0.542 0.000 1.348 376 F CB -0.279 38.762 39.000 0.068 0.000 1.040 376 F HN 0.333 nan 8.300 nan 0.000 0.509 377 F N -0.367 119.949 119.950 0.610 0.000 2.123 377 F HA -0.083 4.444 4.527 0.000 0.000 0.289 377 F C 2.222 178.304 175.800 0.470 0.000 1.099 377 F CA 0.836 59.169 58.000 0.554 0.000 1.234 377 F CB -0.678 38.507 39.000 0.309 0.000 1.034 377 F HN -0.139 nan 8.300 nan 0.000 0.479 378 L N 0.466 122.010 121.223 0.534 0.000 2.189 378 L HA -0.064 4.276 4.340 0.001 0.000 0.214 378 L C 1.972 179.080 176.870 0.398 0.000 1.097 378 L CA 2.184 57.257 54.840 0.388 0.000 0.764 378 L CB -1.349 40.892 42.059 0.303 0.000 0.900 378 L HN 0.187 nan 8.230 nan 0.000 0.436 379 G N -2.716 106.387 108.800 0.505 0.000 2.985 379 G HA2 -0.172 3.788 3.960 0.001 0.000 0.209 379 G HA3 -0.172 3.788 3.960 0.001 0.000 0.209 379 G C 1.137 176.299 174.900 0.436 0.000 1.165 379 G CA 0.455 45.887 45.100 0.554 0.000 0.776 379 G HN 0.568 nan 8.290 nan 0.000 0.541 380 Y N -0.142 120.339 120.300 0.302 0.000 2.558 380 Y HA 0.362 4.912 4.550 0.000 0.000 0.273 380 Y C 2.527 178.428 175.900 0.002 0.000 1.100 380 Y CA 0.294 58.511 58.100 0.195 0.000 1.276 380 Y CB 0.217 38.744 38.460 0.113 0.000 1.196 380 Y HN 0.087 nan 8.280 nan 0.000 0.527 381 M N -0.055 119.569 119.600 0.040 0.000 2.149 381 M HA -0.224 4.257 4.480 0.001 0.000 0.261 381 M C 1.531 177.797 176.300 -0.056 0.000 1.064 381 M CA 1.417 56.692 55.300 -0.042 0.000 1.102 381 M CB -0.188 32.457 32.600 0.075 0.000 1.369 381 M HN 0.308 nan 8.290 nan 0.000 0.408 382 I N -0.179 120.404 120.570 0.023 0.000 2.439 382 I HA -0.223 3.947 4.170 0.001 0.000 0.251 382 I C 1.983 178.045 176.117 -0.092 0.000 1.139 382 I CA 1.236 62.537 61.300 0.001 0.000 1.438 382 I CB -1.657 36.383 38.000 0.066 0.000 1.085 382 I HN 0.359 nan 8.210 nan 0.000 0.427 383 N N 1.135 119.747 118.700 -0.147 0.000 2.381 383 N HA -0.153 4.587 4.740 0.001 0.000 0.182 383 N C 1.884 177.257 175.510 -0.229 0.000 1.025 383 N CA 1.082 54.013 53.050 -0.198 0.000 0.888 383 N CB 0.166 38.536 38.487 -0.195 0.000 0.965 383 N HN 0.128 nan 8.380 nan 0.000 0.438 384 R N -0.050 120.273 120.500 -0.295 0.000 2.064 384 R HA 0.071 4.412 4.340 0.001 0.000 0.221 384 R C 1.917 178.114 176.300 -0.171 0.000 1.136 384 R CA 0.314 56.255 56.100 -0.267 0.000 0.980 384 R CB -1.331 28.766 30.300 -0.339 0.000 0.876 384 R HN 0.260 nan 8.270 nan 0.000 0.437 385 L N 1.298 122.440 121.223 -0.135 0.000 2.270 385 L HA -0.149 4.191 4.340 0.001 0.000 0.217 385 L C 1.822 178.606 176.870 -0.144 0.000 1.107 385 L CA 1.576 56.362 54.840 -0.090 0.000 0.772 385 L CB -0.153 41.887 42.059 -0.032 0.000 0.902 385 L HN 0.109 nan 8.230 nan 0.000 0.439 386 L N -2.675 118.458 121.223 -0.151 0.000 2.388 386 L HA 0.021 4.361 4.340 0.001 0.000 0.209 386 L C 1.888 178.655 176.870 -0.172 0.000 1.061 386 L CA -0.115 54.620 54.840 -0.176 0.000 0.834 386 L CB -0.342 41.632 42.059 -0.141 0.000 1.029 386 L HN 0.153 nan 8.230 nan 0.000 0.473 387 L N -0.373 120.761 121.223 -0.147 0.000 2.551 387 L HA -0.212 4.128 4.340 0.001 0.000 0.230 387 L C 2.028 178.832 176.870 -0.110 0.000 1.163 387 L CA 1.406 56.172 54.840 -0.123 0.000 0.826 387 L CB -0.610 41.380 42.059 -0.115 0.000 0.943 387 L HN 0.421 nan 8.230 nan 0.000 0.452 388 C N -2.430 116.794 119.300 -0.127 0.000 2.628 388 C HA 0.399 4.860 4.460 0.001 0.000 0.393 388 C C 2.769 177.678 174.990 -0.135 0.000 1.328 388 C CA 0.287 59.255 59.018 -0.084 0.000 2.079 388 C CB -0.701 27.026 27.740 -0.022 0.000 2.663 388 C HN 0.537 nan 8.230 nan 0.000 0.557 389 A N 0.982 123.583 122.820 -0.364 0.000 2.067 389 A HA 0.125 4.446 4.320 0.001 0.000 0.219 389 A C 1.904 179.360 177.584 -0.213 0.000 1.158 389 A CA 1.327 53.017 52.037 -0.577 0.000 0.661 389 A CB -0.574 17.961 19.000 -0.775 0.000 0.801 389 A HN 0.694 nan 8.150 nan 0.000 0.452 390 L N -1.331 119.794 121.223 -0.163 0.000 2.591 390 L HA 0.093 4.433 4.340 0.001 0.000 0.228 390 L C -0.363 176.463 176.870 -0.074 0.000 1.133 390 L CA 0.057 54.828 54.840 -0.116 0.000 0.880 390 L CB -0.520 41.454 42.059 -0.143 0.000 1.033 390 L HN 0.216 nan 8.230 nan 0.000 0.450 391 D N 0.708 121.077 120.400 -0.052 0.000 2.760 391 D HA -0.166 4.474 4.640 0.001 0.000 0.244 391 D C 1.001 177.282 176.300 -0.033 0.000 1.123 391 D CA 0.527 54.515 54.000 -0.020 0.000 0.719 391 D CB -0.571 40.228 40.800 -0.002 0.000 1.045 391 D HN 0.288 nan 8.370 nan 0.000 0.426 392 R N -0.573 119.900 120.500 -0.045 0.000 2.344 392 R HA 0.167 4.507 4.340 0.001 0.000 0.209 392 R C 0.597 176.878 176.300 -0.031 0.000 0.886 392 R CA 0.126 56.201 56.100 -0.042 0.000 1.040 392 R CB 0.694 30.959 30.300 -0.057 0.000 1.114 392 R HN -0.069 nan 8.270 nan 0.000 0.547 393 K N 0.691 121.074 120.400 -0.029 0.000 2.508 393 K HA 0.215 4.535 4.320 0.001 0.000 0.260 393 K C -1.224 175.374 176.600 -0.003 0.000 0.949 393 K CA -0.636 55.639 56.287 -0.019 0.000 0.834 393 K CB 2.050 34.531 32.500 -0.032 0.000 1.365 393 K HN -0.065 nan 8.250 nan 0.000 0.437 394 D N 1.838 122.242 120.400 0.007 0.000 2.390 394 D HA -0.072 4.568 4.640 0.001 0.000 0.236 394 D C 0.487 176.809 176.300 0.036 0.000 1.189 394 D CA 0.578 54.594 54.000 0.027 0.000 0.887 394 D CB 0.834 41.654 40.800 0.034 0.000 1.198 394 D HN 0.294 nan 8.370 nan 0.000 0.444 395 Q N 0.747 120.586 119.800 0.065 0.000 2.524 395 Q HA -0.040 4.300 4.340 0.001 0.000 0.246 395 Q C -0.469 175.590 176.000 0.097 0.000 1.063 395 Q CA -0.041 55.818 55.803 0.094 0.000 0.945 395 Q CB 0.685 29.503 28.738 0.134 0.000 1.292 395 Q HN 0.328 nan 8.270 nan 0.000 0.518 396 D N 1.854 122.317 120.400 0.104 0.000 2.312 396 D HA 0.036 4.676 4.640 0.001 0.000 0.252 396 D C -0.914 175.565 176.300 0.298 0.000 1.150 396 D CA -0.026 54.037 54.000 0.105 0.000 0.870 396 D CB 0.858 41.580 40.800 -0.130 0.000 1.153 396 D HN 0.429 nan 8.370 nan 0.000 0.457 397 D N 1.602 122.132 120.400 0.217 0.000 2.350 397 D HA 0.067 4.707 4.640 0.001 0.000 0.249 397 D C 0.968 177.407 176.300 0.231 0.000 1.119 397 D CA -0.031 54.101 54.000 0.219 0.000 0.886 397 D CB 0.791 41.723 40.800 0.219 0.000 1.195 397 D HN 0.308 nan 8.370 nan 0.000 0.437 398 R N 1.535 122.135 120.500 0.167 0.000 2.265 398 R HA 0.108 4.448 4.340 0.001 0.000 0.194 398 R C 0.115 176.451 176.300 0.060 0.000 0.931 398 R CA 0.237 56.412 56.100 0.124 0.000 1.032 398 R CB 0.580 30.864 30.300 -0.028 0.000 0.980 398 R HN 0.287 nan 8.270 nan 0.000 0.497 399 D N 0.283 120.689 120.400 0.010 0.000 2.427 399 D HA -0.008 4.633 4.640 0.001 0.000 0.224 399 D C -0.247 175.817 176.300 -0.393 0.000 1.157 399 D CA 0.114 54.060 54.000 -0.091 0.000 0.828 399 D CB -0.013 40.774 40.800 -0.022 0.000 0.974 399 D HN 0.149 nan 8.370 nan 0.000 0.498 400 H N 0.434 119.301 119.070 -0.338 0.000 2.722 400 H HA -0.005 4.551 4.556 0.000 0.000 0.328 400 H C 0.114 175.372 175.328 -0.116 0.000 1.067 400 H CA -0.234 55.603 56.048 -0.352 0.000 1.447 400 H CB 0.644 30.333 29.762 -0.122 0.000 1.469 400 H HN -0.067 nan 8.280 nan 0.000 0.544 401 F N 3.257 123.150 119.950 -0.095 0.000 2.710 401 F HA 0.147 4.675 4.527 0.000 0.000 0.298 401 F C 2.071 177.950 175.800 0.132 0.000 1.137 401 F CA 0.878 58.874 58.000 -0.007 0.000 1.444 401 F CB 0.024 38.982 39.000 -0.070 0.000 1.111 401 F HN 0.705 nan 8.300 nan 0.000 0.580 402 G N -0.551 108.469 108.800 0.365 0.000 2.920 402 G HA2 -0.081 3.879 3.960 0.001 0.000 0.208 402 G HA3 -0.081 3.879 3.960 0.001 0.000 0.208 402 G C 1.225 176.055 174.900 -0.117 0.000 1.159 402 G CA -0.038 45.103 45.100 0.069 0.000 0.784 402 G HN 0.237 nan 8.290 nan 0.000 0.535 403 K N 0.561 120.909 120.400 -0.086 0.000 2.699 403 K HA 0.190 4.510 4.320 0.001 0.000 0.210 403 K C -0.381 176.155 176.600 -0.107 0.000 1.076 403 K CA -0.042 56.172 56.287 -0.122 0.000 1.109 403 K CB 0.382 32.825 32.500 -0.096 0.000 0.862 403 K HN 0.382 nan 8.250 nan 0.000 0.470 404 K N 0.181 120.474 120.400 -0.179 0.000 2.546 404 K HA 0.462 4.782 4.320 0.001 0.000 0.264 404 K C -0.744 175.695 176.600 -0.269 0.000 0.937 404 K CA -1.186 54.995 56.287 -0.177 0.000 0.833 404 K CB 1.870 34.308 32.500 -0.104 0.000 1.378 404 K HN -0.217 nan 8.250 nan 0.000 0.432 405 R N 1.414 121.802 120.500 -0.187 0.000 2.873 405 R HA 0.563 4.904 4.340 0.001 0.000 0.264 405 R C -0.683 175.544 176.300 -0.122 0.000 1.026 405 R CA -1.028 54.968 56.100 -0.175 0.000 1.002 405 R CB 1.029 31.251 30.300 -0.130 0.000 1.174 405 R HN 0.623 nan 8.270 nan 0.000 0.488 406 L N 1.341 122.505 121.223 -0.098 0.000 2.319 406 L HA 0.320 4.660 4.340 0.001 0.000 0.281 406 L C -0.418 176.434 176.870 -0.031 0.000 1.005 406 L CA -0.775 54.033 54.840 -0.053 0.000 0.828 406 L CB 1.533 43.568 42.059 -0.041 0.000 1.227 406 L HN 0.249 nan 8.230 nan 0.000 0.415 407 D N 3.931 124.315 120.400 -0.027 0.000 2.455 407 D HA 0.193 4.833 4.640 0.001 0.000 0.234 407 D C 0.292 176.578 176.300 -0.023 0.000 1.224 407 D CA 0.050 54.043 54.000 -0.012 0.000 0.999 407 D CB 0.572 41.367 40.800 -0.008 0.000 1.072 407 D HN 0.189 nan 8.370 nan 0.000 0.514 408 L N 1.162 122.386 121.223 0.003 0.000 2.470 408 L HA 0.153 4.493 4.340 0.001 0.000 0.243 408 L C 2.001 178.881 176.870 0.017 0.000 1.227 408 L CA -0.054 54.791 54.840 0.009 0.000 0.824 408 L CB -0.047 42.037 42.059 0.042 0.000 1.175 408 L HN 0.292 nan 8.230 nan 0.000 0.503 409 A N 1.065 123.909 122.820 0.041 0.000 1.903 409 A HA -0.183 4.138 4.320 0.001 0.000 0.219 409 A C 2.010 179.664 177.584 0.117 0.000 1.191 409 A CA 2.065 54.147 52.037 0.075 0.000 0.638 409 A CB -1.224 17.891 19.000 0.193 0.000 0.823 409 A HN 0.928 nan 8.150 nan 0.000 0.451 410 G N -0.072 108.820 108.800 0.154 0.000 2.701 410 G HA2 -0.171 3.790 3.960 0.001 0.000 0.215 410 G HA3 -0.171 3.790 3.960 0.001 0.000 0.215 410 G C -0.285 174.704 174.900 0.147 0.000 1.297 410 G CA 1.302 46.485 45.100 0.139 0.000 0.807 410 G HN 0.464 nan 8.290 nan 0.000 0.608 411 P HA -0.077 nan 4.420 nan 0.000 0.218 411 P C 2.089 179.504 177.300 0.192 0.000 1.146 411 P CA 0.680 63.887 63.100 0.179 0.000 0.820 411 P CB -0.067 31.703 31.700 0.118 0.000 0.778 412 L N -1.489 119.836 121.223 0.170 0.000 1.976 412 L HA -0.185 4.155 4.340 0.001 0.000 0.209 412 L C 2.440 179.595 176.870 0.475 0.000 1.071 412 L CA 1.753 56.777 54.840 0.306 0.000 0.746 412 L CB -1.154 40.940 42.059 0.058 0.000 0.890 412 L HN 0.024 nan 8.230 nan 0.000 0.432 413 L N -0.382 120.987 121.223 0.244 0.000 2.013 413 L HA -0.269 4.071 4.340 0.001 0.000 0.212 413 L C 2.875 179.842 176.870 0.162 0.000 1.073 413 L CA 1.366 56.213 54.840 0.012 0.000 0.753 413 L CB -0.786 40.871 42.059 -0.671 0.000 0.890 413 L HN 0.298 nan 8.230 nan 0.000 0.432 414 A N 0.614 123.628 122.820 0.324 0.000 1.863 414 A HA -0.346 3.974 4.320 0.001 0.000 0.218 414 A C 2.147 179.913 177.584 0.303 0.000 1.233 414 A CA 2.491 54.822 52.037 0.489 0.000 0.655 414 A CB -1.026 18.200 19.000 0.376 0.000 0.839 414 A HN 0.672 nan 8.150 nan 0.000 0.454 415 Q N -1.056 118.874 119.800 0.217 0.000 2.515 415 Q HA 0.071 4.411 4.340 0.001 0.000 0.212 415 Q C 1.426 177.456 176.000 0.051 0.000 0.970 415 Q CA 1.093 56.974 55.803 0.130 0.000 0.941 415 Q CB -0.103 28.716 28.738 0.134 0.000 0.998 415 Q HN 0.508 nan 8.270 nan 0.000 0.518 416 L N -0.599 120.651 121.223 0.046 0.000 2.356 416 L HA 0.189 4.530 4.340 0.001 0.000 0.193 416 L C 1.790 178.652 176.870 -0.014 0.000 1.087 416 L CA 1.009 55.764 54.840 -0.141 0.000 0.817 416 L CB -0.950 40.872 42.059 -0.394 0.000 1.035 416 L HN 0.233 nan 8.230 nan 0.000 0.482 417 F N 1.142 121.086 119.950 -0.009 0.000 2.134 417 F HA -0.201 4.326 4.527 0.000 0.000 0.299 417 F C 2.532 178.371 175.800 0.065 0.000 1.097 417 F CA 2.202 60.232 58.000 0.050 0.000 1.264 417 F CB -0.225 38.894 39.000 0.199 0.000 1.001 417 F HN 0.131 nan 8.300 nan 0.000 0.479 418 K N -0.490 119.942 120.400 0.052 0.000 2.044 418 K HA -0.190 4.131 4.320 0.001 0.000 0.210 418 K C 1.861 178.411 176.600 -0.083 0.000 1.049 418 K CA 2.210 58.487 56.287 -0.017 0.000 0.927 418 K CB -0.383 32.156 32.500 0.066 0.000 0.713 418 K HN 0.331 nan 8.250 nan 0.000 0.443 419 T N 1.329 115.833 114.554 -0.085 0.000 2.867 419 T HA -0.086 4.264 4.350 0.001 0.000 0.268 419 T C 1.861 176.469 174.700 -0.153 0.000 1.057 419 T CA 0.905 62.935 62.100 -0.116 0.000 1.136 419 T CB -0.101 68.695 68.868 -0.120 0.000 0.874 419 T HN 0.109 nan 8.240 nan 0.000 0.466 420 L N -0.188 120.929 121.223 -0.176 0.000 1.973 420 L HA 0.010 4.351 4.340 0.001 0.000 0.208 420 L C 2.297 179.039 176.870 -0.214 0.000 1.073 420 L CA 1.364 56.092 54.840 -0.187 0.000 0.746 420 L CB -0.539 41.424 42.059 -0.159 0.000 0.891 420 L HN 0.118 nan 8.230 nan 0.000 0.433 421 F N 0.974 120.593 119.950 -0.552 0.000 2.063 421 F HA -0.343 4.185 4.527 0.000 0.000 0.298 421 F C 2.515 178.116 175.800 -0.332 0.000 1.105 421 F CA 1.857 59.519 58.000 -0.563 0.000 1.215 421 F CB -0.320 38.185 39.000 -0.825 0.000 0.972 421 F HN -0.073 nan 8.300 nan 0.000 0.483 422 K N -0.056 120.146 120.400 -0.328 0.000 2.211 422 K HA -0.209 4.112 4.320 0.001 0.000 0.203 422 K C 2.222 178.670 176.600 -0.253 0.000 1.050 422 K CA 1.213 57.309 56.287 -0.318 0.000 0.945 422 K CB -0.163 32.229 32.500 -0.181 0.000 0.732 422 K HN 0.309 nan 8.250 nan 0.000 0.451 423 K N 1.500 121.772 120.400 -0.212 0.000 2.031 423 K HA -0.121 4.199 4.320 0.001 0.000 0.205 423 K C 2.193 178.693 176.600 -0.166 0.000 1.049 423 K CA 0.932 57.121 56.287 -0.163 0.000 0.939 423 K CB -0.096 32.321 32.500 -0.138 0.000 0.717 423 K HN 0.154 nan 8.250 nan 0.000 0.438 424 L N 0.477 121.577 121.223 -0.206 0.000 2.093 424 L HA -0.115 4.225 4.340 0.001 0.000 0.208 424 L C 2.198 178.941 176.870 -0.212 0.000 1.085 424 L CA 1.795 56.522 54.840 -0.188 0.000 0.755 424 L CB -0.758 41.194 42.059 -0.178 0.000 0.904 424 L HN 0.157 nan 8.230 nan 0.000 0.435 425 T N 0.700 115.038 114.554 -0.359 0.000 2.720 425 T HA -0.240 4.111 4.350 0.001 0.000 0.268 425 T C 1.568 176.211 174.700 -0.096 0.000 1.037 425 T CA 2.115 64.034 62.100 -0.301 0.000 1.144 425 T CB -0.165 68.412 68.868 -0.485 0.000 0.864 425 T HN 0.627 nan 8.240 nan 0.000 0.444 426 K N 0.016 120.354 120.400 -0.103 0.000 2.469 426 K HA 0.128 4.448 4.320 0.001 0.000 0.201 426 K C 0.646 177.261 176.600 0.026 0.000 1.028 426 K CA 0.430 56.700 56.287 -0.028 0.000 1.170 426 K CB 0.343 32.783 32.500 -0.100 0.000 0.874 426 K HN 0.102 nan 8.250 nan 0.000 0.507 427 D N 0.593 120.996 120.400 0.006 0.000 2.366 427 D HA 0.050 4.691 4.640 0.001 0.000 0.205 427 D C 1.519 177.872 176.300 0.088 0.000 1.022 427 D CA 0.291 54.311 54.000 0.033 0.000 0.868 427 D CB 0.287 41.073 40.800 -0.023 0.000 0.953 427 D HN 0.217 nan 8.370 nan 0.000 0.514 428 I N 0.085 120.714 120.570 0.098 0.000 2.235 428 I HA -0.117 4.053 4.170 0.001 0.000 0.241 428 I C 2.257 178.503 176.117 0.214 0.000 1.085 428 I CA 0.557 61.944 61.300 0.145 0.000 1.378 428 I CB -1.291 36.787 38.000 0.130 0.000 1.076 428 I HN -0.077 nan 8.210 nan 0.000 0.415 429 F N 2.613 122.597 119.950 0.057 0.000 2.043 429 F HA -0.284 4.244 4.527 0.000 0.000 0.297 429 F C 2.867 178.700 175.800 0.055 0.000 1.118 429 F CA 1.984 60.012 58.000 0.046 0.000 1.202 429 F CB -0.265 38.746 39.000 0.019 0.000 0.965 429 F HN -0.073 nan 8.300 nan 0.000 0.482 430 R N -1.693 119.012 120.500 0.342 0.000 2.241 430 R HA -0.212 4.128 4.340 0.001 0.000 0.224 430 R C 1.847 178.234 176.300 0.146 0.000 1.101 430 R CA 1.411 57.644 56.100 0.222 0.000 0.995 430 R CB -0.514 29.898 30.300 0.186 0.000 0.870 430 R HN 0.481 nan 8.270 nan 0.000 0.463 431 Y N 0.164 120.477 120.300 0.021 0.000 2.436 431 Y HA 0.058 4.609 4.550 0.001 0.000 0.288 431 Y C 2.020 177.897 175.900 -0.038 0.000 1.112 431 Y CA 0.816 58.914 58.100 -0.003 0.000 1.220 431 Y CB 0.210 38.674 38.460 0.006 0.000 1.073 431 Y HN -0.125 nan 8.280 nan 0.000 0.552 432 M N 0.331 119.915 119.600 -0.027 0.000 2.099 432 M HA -0.235 4.245 4.480 0.001 0.000 0.262 432 M C 2.150 178.313 176.300 -0.229 0.000 1.067 432 M CA 2.065 57.281 55.300 -0.140 0.000 1.124 432 M CB -0.732 31.780 32.600 -0.148 0.000 1.353 432 M HN 0.390 nan 8.290 nan 0.000 0.410 433 Q N 0.761 120.402 119.800 -0.266 0.000 2.443 433 Q HA -0.146 4.195 4.340 0.001 0.000 0.213 433 Q C 1.147 177.046 176.000 -0.169 0.000 0.982 433 Q CA 1.191 56.859 55.803 -0.224 0.000 0.894 433 Q CB -0.333 28.289 28.738 -0.193 0.000 0.947 433 Q HN 0.533 nan 8.270 nan 0.000 0.480 434 R N 0.166 120.540 120.500 -0.211 0.000 2.432 434 R HA 0.229 4.569 4.340 0.001 0.000 0.260 434 R C -0.237 175.902 176.300 -0.269 0.000 0.935 434 R CA 0.060 56.024 56.100 -0.227 0.000 1.080 434 R CB 0.970 31.125 30.300 -0.242 0.000 1.155 434 R HN 0.053 nan 8.270 nan 0.000 0.531 435 T N 0.375 114.779 114.554 -0.250 0.000 2.888 435 T HA 0.100 4.450 4.350 0.001 0.000 0.284 435 T C 0.090 174.705 174.700 -0.140 0.000 1.017 435 T CA -0.311 61.690 62.100 -0.166 0.000 1.022 435 T CB 2.190 70.978 68.868 -0.134 0.000 1.013 435 T HN -0.034 nan 8.240 nan 0.000 0.465 436 V N 3.876 123.707 119.914 -0.139 0.000 5.830 436 V HA -0.251 3.869 4.120 0.001 0.000 0.274 436 V C 1.051 177.079 176.094 -0.109 0.000 0.632 436 V CA 1.267 63.489 62.300 -0.130 0.000 0.594 436 V CB -1.615 30.144 31.823 -0.107 0.000 0.249 436 V HN 1.089 nan 8.190 nan 0.000 0.697 437 E N 0.478 120.612 120.200 -0.109 0.000 3.498 437 E HA -0.288 4.063 4.350 0.001 0.000 0.395 437 E C 0.544 177.041 176.600 -0.171 0.000 1.577 437 E CA 1.999 58.325 56.400 -0.123 0.000 1.700 437 E CB -0.597 29.030 29.700 -0.122 0.000 1.647 437 E HN 0.929 nan 8.360 nan 0.000 0.442 438 E N 0.547 120.627 120.200 -0.199 0.000 2.373 438 E HA 0.377 4.727 4.350 0.001 0.000 0.263 438 E C 1.010 177.324 176.600 -0.476 0.000 1.073 438 E CA 0.747 56.883 56.400 -0.440 0.000 0.894 438 E CB 0.776 30.217 29.700 -0.431 0.000 1.008 438 E HN 0.522 nan 8.360 nan 0.000 0.420 439 A N 3.050 125.457 122.820 -0.688 0.000 2.261 439 A HA -0.290 4.030 4.320 0.001 0.000 0.271 439 A C 0.584 177.954 177.584 -0.357 0.000 2.785 439 A CA 2.209 53.936 52.037 -0.517 0.000 1.014 439 A CB -0.995 17.700 19.000 -0.509 0.000 0.645 439 A HN 0.682 nan 8.150 nan 0.000 0.482 440 H N -1.206 117.671 119.070 -0.321 0.000 2.667 440 H HA 0.360 4.916 4.556 0.001 0.000 0.353 440 H C 0.139 175.336 175.328 -0.219 0.000 1.072 440 H CA -0.209 55.678 56.048 -0.269 0.000 1.214 440 H CB 1.407 31.076 29.762 -0.156 0.000 1.600 440 H HN 0.590 nan 8.280 nan 0.000 0.527 441 D N 3.024 123.469 120.400 0.075 0.000 2.979 441 D HA -0.323 4.317 4.640 0.001 0.000 0.208 441 D C 0.444 176.869 176.300 0.208 0.000 1.122 441 D CA 1.649 55.712 54.000 0.105 0.000 0.992 441 D CB -0.289 40.547 40.800 0.059 0.000 1.117 441 D HN 0.596 nan 8.370 nan 0.000 0.397 442 F N -1.900 118.103 119.950 0.088 0.000 2.559 442 F HA -0.344 4.184 4.527 0.000 0.000 0.681 442 F C 0.882 176.713 175.800 0.052 0.000 0.488 442 F CA 1.913 59.947 58.000 0.056 0.000 0.759 442 F CB -1.078 37.947 39.000 0.043 0.000 1.634 442 F HN 0.040 nan 8.300 nan 0.000 0.264 443 N N 0.335 119.168 118.700 0.222 0.000 2.599 443 N HA 0.594 5.334 4.740 0.001 0.000 0.283 443 N C -1.326 174.251 175.510 0.112 0.000 1.160 443 N CA 0.116 53.250 53.050 0.140 0.000 0.869 443 N CB 1.803 40.367 38.487 0.128 0.000 1.448 443 N HN 0.433 nan 8.380 nan 0.000 0.535 444 M N 1.739 121.398 119.600 0.097 0.000 2.323 444 M HA 0.410 4.891 4.480 0.001 0.000 0.278 444 M C -2.340 174.007 176.300 0.079 0.000 1.069 444 M CA -0.377 54.971 55.300 0.080 0.000 0.950 444 M CB 1.271 33.909 32.600 0.062 0.000 1.879 444 M HN 0.218 nan 8.290 nan 0.000 0.491 445 K N 5.211 125.649 120.400 0.062 0.000 2.592 445 K HA 0.626 4.947 4.320 0.001 0.000 0.265 445 K C -0.453 176.164 176.600 0.029 0.000 1.006 445 K CA -0.406 55.897 56.287 0.027 0.000 0.907 445 K CB 1.629 34.151 32.500 0.036 0.000 1.309 445 K HN 0.837 nan 8.250 nan 0.000 0.452 446 L N 0.828 122.054 121.223 0.007 0.000 2.562 446 L HA -0.377 3.964 4.340 0.001 0.000 0.425 446 L C 1.282 178.051 176.870 -0.168 0.000 0.852 446 L CA 2.461 57.278 54.840 -0.039 0.000 3.307 446 L CB -1.259 40.797 42.059 -0.004 0.000 0.645 446 L HN 0.819 nan 8.230 nan 0.000 0.799 447 A N -0.215 122.459 122.820 -0.243 0.000 2.123 447 A HA 0.331 4.651 4.320 0.001 0.000 0.214 447 A C 0.913 178.298 177.584 -0.332 0.000 1.152 447 A CA 0.791 52.479 52.037 -0.581 0.000 0.728 447 A CB -0.433 18.229 19.000 -0.562 0.000 0.814 447 A HN 0.336 nan 8.150 nan 0.000 0.464 448 I N 1.585 122.064 120.570 -0.152 0.000 2.421 448 I HA 0.048 4.218 4.170 0.001 0.000 0.291 448 I C -0.090 175.961 176.117 -0.109 0.000 1.089 448 I CA -0.024 61.218 61.300 -0.098 0.000 1.354 448 I CB -0.650 37.327 38.000 -0.037 0.000 1.413 448 I HN 0.112 nan 8.210 nan 0.000 0.513 449 N N 5.777 124.406 118.700 -0.118 0.000 3.188 449 N HA 0.268 5.008 4.740 0.001 0.000 0.279 449 N C 1.088 176.534 175.510 -0.107 0.000 1.213 449 N CA -0.039 52.953 53.050 -0.096 0.000 1.138 449 N CB 0.793 39.229 38.487 -0.085 0.000 1.417 449 N HN 0.671 nan 8.380 nan 0.000 0.526 450 A N 2.808 125.541 122.820 -0.145 0.000 1.958 450 A HA -0.213 4.108 4.320 0.001 0.000 0.221 450 A C 2.162 179.644 177.584 -0.170 0.000 1.178 450 A CA 1.216 53.095 52.037 -0.263 0.000 0.642 450 A CB -0.453 18.230 19.000 -0.529 0.000 0.816 450 A HN 0.567 nan 8.150 nan 0.000 0.453 451 K N -0.531 119.823 120.400 -0.077 0.000 2.127 451 K HA -0.231 4.089 4.320 0.001 0.000 0.212 451 K C 1.952 178.531 176.600 -0.035 0.000 1.050 451 K CA 2.288 58.559 56.287 -0.027 0.000 0.929 451 K CB -0.850 31.648 32.500 -0.003 0.000 0.715 451 K HN 0.537 nan 8.250 nan 0.000 0.457 452 T N 1.840 116.361 114.554 -0.055 0.000 2.597 452 T HA -0.184 4.167 4.350 0.001 0.000 0.267 452 T C 1.931 176.600 174.700 -0.051 0.000 1.053 452 T CA 1.844 63.910 62.100 -0.056 0.000 1.165 452 T CB -0.167 68.656 68.868 -0.076 0.000 0.863 452 T HN 0.259 nan 8.240 nan 0.000 0.427 453 I N 0.782 121.317 120.570 -0.059 0.000 2.676 453 I HA -0.122 4.048 4.170 0.001 0.000 0.259 453 I C 2.434 178.560 176.117 0.015 0.000 1.194 453 I CA 0.912 62.203 61.300 -0.014 0.000 1.473 453 I CB -0.525 37.485 38.000 0.018 0.000 1.096 453 I HN 0.336 nan 8.210 nan 0.000 0.443 454 T N 0.490 115.037 114.554 -0.012 0.000 2.643 454 T HA -0.143 4.207 4.350 0.001 0.000 0.256 454 T C 2.054 176.780 174.700 0.044 0.000 1.061 454 T CA 1.942 64.057 62.100 0.024 0.000 1.163 454 T CB -0.338 68.549 68.868 0.031 0.000 0.865 454 T HN 0.474 nan 8.240 nan 0.000 0.407 455 S N 1.339 117.061 115.700 0.038 0.000 2.419 455 S HA -0.006 4.465 4.470 0.001 0.000 0.233 455 S C 2.336 176.980 174.600 0.074 0.000 1.016 455 S CA 1.239 59.475 58.200 0.061 0.000 0.974 455 S CB -1.036 62.200 63.200 0.060 0.000 0.786 455 S HN 0.532 nan 8.310 nan 0.000 0.492 456 G N 1.467 110.281 108.800 0.023 0.000 2.422 456 G HA2 0.038 3.998 3.960 0.001 0.000 0.218 456 G HA3 0.038 3.998 3.960 0.001 0.000 0.218 456 G C 1.405 176.284 174.900 -0.035 0.000 1.140 456 G CA 0.636 45.721 45.100 -0.026 0.000 0.775 456 G HN 0.506 nan 8.290 nan 0.000 0.545 457 L N -0.595 120.634 121.223 0.010 0.000 2.209 457 L HA 0.096 4.437 4.340 0.001 0.000 0.207 457 L C 2.896 179.801 176.870 0.058 0.000 1.094 457 L CA 0.728 55.575 54.840 0.011 0.000 0.790 457 L CB -0.119 41.983 42.059 0.071 0.000 0.932 457 L HN 0.193 nan 8.230 nan 0.000 0.447 458 K N -0.764 119.689 120.400 0.089 0.000 2.007 458 K HA -0.196 4.124 4.320 0.001 0.000 0.206 458 K C 2.025 178.708 176.600 0.138 0.000 1.047 458 K CA 1.424 57.775 56.287 0.106 0.000 0.937 458 K CB -0.359 32.195 32.500 0.089 0.000 0.718 458 K HN 0.127 nan 8.250 nan 0.000 0.438 459 Y N 1.497 121.800 120.300 0.006 0.000 2.014 459 Y HA -0.385 4.166 4.550 0.001 0.000 0.272 459 Y C 2.309 178.219 175.900 0.018 0.000 1.164 459 Y CA 1.731 59.835 58.100 0.006 0.000 1.114 459 Y CB -0.230 38.221 38.460 -0.015 0.000 0.961 459 Y HN 0.113 nan 8.280 nan 0.000 0.489 460 A N -0.221 122.811 122.820 0.353 0.000 1.948 460 A HA -0.233 4.087 4.320 0.001 0.000 0.220 460 A C 2.000 179.821 177.584 0.395 0.000 1.177 460 A CA 1.924 54.099 52.037 0.230 0.000 0.636 460 A CB -0.976 17.800 19.000 -0.373 0.000 0.815 460 A HN 0.542 nan 8.150 nan 0.000 0.449 461 L N -1.700 119.685 121.223 0.271 0.000 2.509 461 L HA 0.274 4.614 4.340 0.001 0.000 0.222 461 L C 2.361 179.314 176.870 0.137 0.000 1.123 461 L CA 1.232 56.218 54.840 0.242 0.000 0.856 461 L CB -0.262 41.870 42.059 0.120 0.000 0.985 461 L HN 0.340 nan 8.230 nan 0.000 0.456 462 A N -2.088 120.799 122.820 0.111 0.000 1.942 462 A HA 0.036 4.356 4.320 0.001 0.000 0.209 462 A C 2.056 179.649 177.584 0.015 0.000 1.214 462 A CA 1.202 53.262 52.037 0.038 0.000 0.686 462 A CB -0.418 18.574 19.000 -0.014 0.000 0.871 462 A HN 0.357 nan 8.150 nan 0.000 0.460 463 T N -1.305 113.260 114.554 0.019 0.000 3.014 463 T HA 0.335 4.686 4.350 0.001 0.000 0.263 463 T C 1.578 176.342 174.700 0.106 0.000 1.078 463 T CA 1.144 63.249 62.100 0.008 0.000 1.135 463 T CB 0.013 68.840 68.868 -0.067 0.000 0.895 463 T HN 1.429 nan 8.240 nan 0.000 0.480 464 G N 2.464 111.374 108.800 0.183 0.000 2.179 464 G HA2 -0.251 3.709 3.960 0.001 0.000 0.260 464 G HA3 -0.251 3.709 3.960 0.001 0.000 0.260 464 G C 0.072 175.105 174.900 0.221 0.000 0.977 464 G CA -0.152 45.045 45.100 0.163 0.000 0.641 464 G HN 0.546 nan 8.290 nan 0.000 0.533 465 N N 0.870 119.741 118.700 0.285 0.000 3.034 465 N HA 0.118 4.859 4.740 0.001 0.000 0.265 465 N C 0.139 175.846 175.510 0.328 0.000 1.166 465 N CA -0.371 52.837 53.050 0.263 0.000 1.081 465 N CB 0.065 38.696 38.487 0.240 0.000 1.378 465 N HN 0.502 nan 8.380 nan 0.000 0.520 466 W N 1.239 122.554 121.300 0.026 0.000 2.513 466 W HA 0.027 4.687 4.660 0.000 0.000 0.339 466 W C 0.632 177.134 176.519 -0.028 0.000 1.257 466 W CA 0.444 57.788 57.345 -0.002 0.000 1.280 466 W CB 0.378 29.832 29.460 -0.011 0.000 1.214 466 W HN 0.649 nan 8.180 nan 0.000 0.567 467 G N 4.146 112.843 108.800 -0.171 0.000 2.614 467 G HA2 -0.129 3.831 3.960 0.001 0.000 0.223 467 G HA3 -0.129 3.831 3.960 0.001 0.000 0.223 467 G C 0.133 174.844 174.900 -0.316 0.000 1.171 467 G CA -0.275 44.703 45.100 -0.204 0.000 0.938 467 G HN 0.717 nan 8.290 nan 0.000 0.561 468 E N -0.715 119.237 120.200 -0.414 0.000 3.692 468 E HA -0.360 3.990 4.350 0.001 0.000 0.368 468 E C 0.846 176.879 176.600 -0.945 0.000 1.600 468 E CA 1.940 58.001 56.400 -0.565 0.000 2.010 468 E CB -0.815 28.671 29.700 -0.357 0.000 1.773 468 E HN 0.956 nan 8.360 nan 0.000 0.414 469 Q N 1.155 120.537 119.800 -0.697 0.000 2.177 469 Q HA 0.465 4.806 4.340 0.001 0.000 0.183 469 Q C -0.564 175.282 176.000 -0.256 0.000 1.040 469 Q CA -0.682 54.795 55.803 -0.544 0.000 1.089 469 Q CB 0.513 29.117 28.738 -0.222 0.000 1.130 469 Q HN 0.447 nan 8.270 nan 0.000 0.575 470 K N 0.370 120.707 120.400 -0.105 0.000 5.379 470 K HA -0.128 4.192 4.320 0.001 0.000 0.486 470 K C -1.445 175.136 176.600 -0.032 0.000 1.185 470 K CA 0.632 56.887 56.287 -0.052 0.000 1.355 470 K CB -1.214 31.246 32.500 -0.068 0.000 1.722 470 K HN 0.950 nan 8.250 nan 0.000 0.399 471 K N -0.247 120.163 120.400 0.017 0.000 2.218 471 K HA 0.588 4.908 4.320 0.001 0.000 0.276 471 K C 0.822 177.436 176.600 0.023 0.000 1.022 471 K CA 0.212 56.521 56.287 0.037 0.000 0.946 471 K CB 1.289 33.835 32.500 0.077 0.000 1.000 471 K HN 0.257 nan 8.250 nan 0.000 0.468 472 A N 4.170 127.003 122.820 0.022 0.000 2.500 472 A HA 0.195 4.515 4.320 0.001 0.000 0.267 472 A C -0.013 177.583 177.584 0.019 0.000 1.290 472 A CA -0.555 51.501 52.037 0.032 0.000 0.928 472 A CB 0.002 19.024 19.000 0.038 0.000 1.066 472 A HN 0.682 nan 8.150 nan 0.000 0.516 473 M N 1.422 121.022 119.600 0.001 0.000 2.238 473 M HA 0.144 4.624 4.480 0.001 0.000 0.350 473 M C 0.587 176.875 176.300 -0.021 0.000 1.321 473 M CA 0.431 55.726 55.300 -0.008 0.000 1.097 473 M CB 0.477 33.066 32.600 -0.018 0.000 1.713 473 M HN 0.392 nan 8.290 nan 0.000 0.455 474 S N 3.055 118.750 115.700 -0.008 0.000 2.537 474 S HA 0.602 5.072 4.470 0.001 0.000 0.301 474 S C -0.206 174.414 174.600 0.033 0.000 1.092 474 S CA 0.009 58.214 58.200 0.008 0.000 1.048 474 S CB 1.157 64.360 63.200 0.005 0.000 1.053 474 S HN 1.000 nan 8.310 nan 0.000 0.501 475 S N 3.037 118.754 115.700 0.029 0.000 3.580 475 S HA -0.175 4.296 4.470 0.001 0.000 0.472 475 S C -0.238 174.393 174.600 0.051 0.000 0.730 475 S CA 0.430 58.651 58.200 0.036 0.000 1.324 475 S CB -1.367 61.856 63.200 0.038 0.000 1.439 475 S HN 0.949 nan 8.310 nan 0.000 0.676 476 R N 2.697 123.223 120.500 0.043 0.000 4.045 476 R HA 0.235 4.576 4.340 0.001 0.000 0.174 476 R C 1.837 178.165 176.300 0.047 0.000 1.805 476 R CA 0.447 56.579 56.100 0.053 0.000 1.368 476 R CB -0.818 29.508 30.300 0.042 0.000 1.362 476 R HN 0.871 nan 8.270 nan 0.000 0.777 477 A N 1.184 124.039 122.820 0.059 0.000 2.259 477 A HA -0.042 4.278 4.320 0.001 0.000 0.212 477 A C 1.736 179.322 177.584 0.003 0.000 1.178 477 A CA 0.769 52.821 52.037 0.025 0.000 0.734 477 A CB -0.341 18.674 19.000 0.025 0.000 0.774 477 A HN 0.730 nan 8.150 nan 0.000 0.481 478 G N -0.224 108.597 108.800 0.035 0.000 2.468 478 G HA2 -0.257 3.703 3.960 0.001 0.000 0.311 478 G HA3 -0.257 3.703 3.960 0.001 0.000 0.311 478 G C 0.506 175.392 174.900 -0.023 0.000 0.942 478 G CA 0.600 45.714 45.100 0.022 0.000 0.893 478 G HN 0.903 nan 8.290 nan 0.000 0.513 479 V N -1.559 118.308 119.914 -0.080 0.000 3.766 479 V HA 0.625 4.745 4.120 0.001 0.000 0.286 479 V C 1.551 177.563 176.094 -0.137 0.000 1.055 479 V CA 0.337 62.520 62.300 -0.196 0.000 1.060 479 V CB 0.629 32.166 31.823 -0.477 0.000 1.210 479 V HN 1.504 nan 8.190 nan 0.000 0.457 480 S N 0.450 116.037 115.700 -0.187 0.000 3.734 480 S HA -0.138 4.333 4.470 0.001 0.000 0.531 480 S C -0.204 174.383 174.600 -0.022 0.000 0.757 480 S CA 0.371 58.509 58.200 -0.104 0.000 1.388 480 S CB -0.935 62.245 63.200 -0.034 0.000 0.878 480 S HN 0.826 nan 8.310 nan 0.000 0.735 481 Q N 1.228 121.034 119.800 0.011 0.000 2.226 481 Q HA 0.503 4.843 4.340 0.001 0.000 0.256 481 Q C 0.406 176.401 176.000 -0.009 0.000 0.962 481 Q CA -0.935 54.896 55.803 0.047 0.000 0.887 481 Q CB 1.363 30.204 28.738 0.172 0.000 1.282 481 Q HN 0.350 nan 8.270 nan 0.000 0.449 482 V N 3.557 123.431 119.914 -0.067 0.000 2.052 482 V HA 0.006 4.127 4.120 0.001 0.000 0.281 482 V C 1.111 177.075 176.094 -0.216 0.000 1.668 482 V CA 0.370 62.609 62.300 -0.101 0.000 1.621 482 V CB -1.943 29.837 31.823 -0.072 0.000 1.488 482 V HN 0.778 nan 8.190 nan 0.000 0.513 483 L N 0.892 121.947 121.223 -0.280 0.000 6.057 483 L HA -0.329 4.011 4.340 0.001 0.000 0.053 483 L C 0.529 176.995 176.870 -0.673 0.000 1.767 483 L CA 1.916 56.470 54.840 -0.476 0.000 1.858 483 L CB -0.043 41.778 42.059 -0.396 0.000 2.520 483 L HN 0.799 nan 8.230 nan 0.000 0.944 484 N N -0.273 118.150 118.700 -0.460 0.000 2.929 484 N HA 0.331 5.071 4.740 0.001 0.000 0.245 484 N C -1.637 173.771 175.510 -0.169 0.000 1.081 484 N CA -0.474 52.391 53.050 -0.309 0.000 1.048 484 N CB 1.046 39.353 38.487 -0.300 0.000 1.629 484 N HN 0.466 nan 8.380 nan 0.000 0.598 485 R N 3.450 123.875 120.500 -0.125 0.000 2.629 485 R HA 0.242 4.582 4.340 0.001 0.000 0.275 485 R C -0.742 175.451 176.300 -0.178 0.000 1.719 485 R CA -0.327 55.727 56.100 -0.076 0.000 1.472 485 R CB 0.638 30.929 30.300 -0.015 0.000 1.237 485 R HN 0.581 nan 8.270 nan 0.000 0.589 486 Y N -0.011 120.172 120.300 -0.194 0.000 2.769 486 Y HA 0.337 4.887 4.550 -0.000 0.000 0.266 486 Y C 0.247 176.098 175.900 -0.082 0.000 1.091 486 Y CA 0.695 58.667 58.100 -0.213 0.000 1.272 486 Y CB 1.358 39.728 38.460 -0.151 0.000 1.469 486 Y HN 0.069 nan 8.280 nan 0.000 0.475 487 T N -0.055 114.537 114.554 0.064 0.000 2.906 487 T HA 0.152 4.502 4.350 0.001 0.000 0.295 487 T C -0.235 174.559 174.700 0.157 0.000 1.061 487 T CA -0.471 61.668 62.100 0.065 0.000 1.000 487 T CB 1.642 70.557 68.868 0.078 0.000 1.103 487 T HN 0.129 nan 8.240 nan 0.000 0.486 488 Y N 2.991 123.301 120.300 0.016 0.000 2.014 488 Y HA -0.232 4.318 4.550 0.000 0.000 0.272 488 Y C 2.599 178.534 175.900 0.058 0.000 1.164 488 Y CA 2.632 60.742 58.100 0.016 0.000 1.114 488 Y CB -0.707 37.712 38.460 -0.069 0.000 0.961 488 Y HN 0.677 nan 8.280 nan 0.000 0.489 489 S N -1.454 114.314 115.700 0.114 0.000 2.626 489 S HA -0.124 4.346 4.470 0.001 0.000 0.245 489 S C 1.845 176.464 174.600 0.032 0.000 0.973 489 S CA 0.939 59.175 58.200 0.060 0.000 0.959 489 S CB -0.590 62.754 63.200 0.241 0.000 0.762 489 S HN 0.481 nan 8.310 nan 0.000 0.539 490 S N 0.353 116.074 115.700 0.035 0.000 2.599 490 S HA 0.051 4.521 4.470 0.001 0.000 0.236 490 S C 1.725 176.339 174.600 0.023 0.000 1.077 490 S CA 0.592 58.822 58.200 0.050 0.000 0.906 490 S CB -0.665 62.594 63.200 0.099 0.000 0.804 490 S HN 0.518 nan 8.310 nan 0.000 0.497 491 T N 3.302 117.846 114.554 -0.016 0.000 2.759 491 T HA 0.039 4.389 4.350 0.001 0.000 0.269 491 T C 1.662 176.316 174.700 -0.076 0.000 1.042 491 T CA 1.448 63.517 62.100 -0.052 0.000 1.140 491 T CB -0.397 68.447 68.868 -0.039 0.000 0.864 491 T HN 0.288 nan 8.240 nan 0.000 0.455 492 L N 0.548 121.667 121.223 -0.173 0.000 2.056 492 L HA -0.041 4.299 4.340 0.001 0.000 0.207 492 L C 2.741 179.580 176.870 -0.051 0.000 1.078 492 L CA 1.007 55.754 54.840 -0.156 0.000 0.749 492 L CB -0.459 41.450 42.059 -0.249 0.000 0.901 492 L HN 0.246 nan 8.230 nan 0.000 0.433 493 S N -1.914 113.770 115.700 -0.026 0.000 2.561 493 S HA -0.142 4.328 4.470 0.001 0.000 0.225 493 S C 1.821 176.427 174.600 0.011 0.000 0.977 493 S CA 0.387 58.584 58.200 -0.006 0.000 0.926 493 S CB -0.282 62.917 63.200 -0.002 0.000 0.769 493 S HN 0.429 nan 8.310 nan 0.000 0.533 494 H N 0.704 119.745 119.070 -0.048 0.000 2.451 494 H HA 0.239 4.795 4.556 0.001 0.000 0.294 494 H C 1.619 176.926 175.328 -0.036 0.000 1.028 494 H CA 0.769 56.790 56.048 -0.045 0.000 1.349 494 H CB -0.007 29.724 29.762 -0.053 0.000 1.444 494 H HN 0.373 nan 8.280 nan 0.000 0.538 495 L N 0.647 121.941 121.223 0.118 0.000 2.549 495 L HA -0.019 4.321 4.340 0.001 0.000 0.229 495 L C 0.906 177.792 176.870 0.027 0.000 1.158 495 L CA 0.767 55.658 54.840 0.086 0.000 0.842 495 L CB -0.044 42.066 42.059 0.086 0.000 0.952 495 L HN 0.071 nan 8.230 nan 0.000 0.452 496 R N 0.104 120.598 120.500 -0.010 0.000 2.865 496 R HA 0.264 4.604 4.340 0.001 0.000 0.370 496 R C -0.026 176.237 176.300 -0.062 0.000 1.168 496 R CA -0.268 55.818 56.100 -0.024 0.000 1.058 496 R CB 0.406 30.700 30.300 -0.010 0.000 1.419 496 R HN 0.076 nan 8.270 nan 0.000 0.580 497 R N 0.741 121.181 120.500 -0.100 0.000 2.294 497 R HA 0.261 4.601 4.340 0.001 0.000 0.319 497 R C -0.811 175.423 176.300 -0.111 0.000 0.984 497 R CA -0.021 55.992 56.100 -0.145 0.000 0.861 497 R CB 1.387 31.522 30.300 -0.275 0.000 1.104 497 R HN -0.102 nan 8.270 nan 0.000 0.451 498 T N 3.848 118.348 114.554 -0.090 0.000 2.772 498 T HA 0.222 4.572 4.350 0.001 0.000 0.288 498 T C -0.457 174.207 174.700 -0.061 0.000 0.994 498 T CA -0.588 61.479 62.100 -0.055 0.000 0.951 498 T CB 0.780 69.641 68.868 -0.012 0.000 0.933 498 T HN 0.486 nan 8.240 nan 0.000 0.447 499 N N 1.722 120.386 118.700 -0.060 0.000 2.448 499 N HA 0.599 5.339 4.740 0.001 0.000 0.274 499 N C -0.871 174.622 175.510 -0.027 0.000 1.239 499 N CA -0.346 52.669 53.050 -0.057 0.000 0.982 499 N CB 1.103 39.545 38.487 -0.074 0.000 1.199 499 N HN 0.504 nan 8.380 nan 0.000 0.576 500 T N 1.243 115.783 114.554 -0.023 0.000 3.435 500 T HA 0.353 4.704 4.350 0.001 0.000 0.344 500 T C -2.729 171.966 174.700 -0.008 0.000 1.211 500 T CA -0.646 61.451 62.100 -0.005 0.000 1.104 500 T CB 1.681 70.554 68.868 0.009 0.000 1.196 500 T HN 0.370 nan 8.240 nan 0.000 0.471 501 P HA 0.551 nan 4.420 nan 0.000 0.271 501 P C 0.506 177.805 177.300 -0.002 0.000 1.233 501 P CA -0.407 62.691 63.100 -0.003 0.000 0.789 501 P CB 0.235 31.936 31.700 0.002 0.000 0.951 510 K N 1.440 121.840 120.400 -0.001 0.000 2.842 510 K HA 0.430 4.750 4.320 0.001 0.000 0.176 510 K C -2.706 173.913 176.600 0.033 0.000 1.080 510 K CA -1.216 55.079 56.287 0.013 0.000 0.954 510 K CB 1.802 34.312 32.500 0.017 0.000 1.203 510 K HN 0.259 nan 8.250 nan 0.000 0.611 511 P HA 0.170 nan 4.420 nan 0.000 0.243 511 P C -0.021 177.305 177.300 0.044 0.000 1.672 511 P CA -0.164 62.963 63.100 0.045 0.000 1.000 511 P CB 0.423 32.143 31.700 0.032 0.000 1.562 512 R N -1.235 119.286 120.500 0.035 0.000 2.225 512 R HA 0.157 4.498 4.340 0.001 0.000 0.194 512 R C 0.528 176.846 176.300 0.030 0.000 0.949 512 R CA -0.084 56.028 56.100 0.019 0.000 1.088 512 R CB -0.096 30.204 30.300 0.000 0.000 1.106 512 R HN 0.171 nan 8.270 nan 0.000 0.566 513 Q N 1.292 121.120 119.800 0.047 0.000 2.386 513 Q HA 0.013 4.354 4.340 0.001 0.000 0.282 513 Q C -0.675 175.390 176.000 0.108 0.000 1.050 513 Q CA 0.127 55.962 55.803 0.054 0.000 0.918 513 Q CB 0.426 29.192 28.738 0.047 0.000 1.266 513 Q HN 0.034 nan 8.270 nan 0.000 0.423 514 L N 2.829 124.107 121.223 0.092 0.000 2.369 514 L HA 0.142 4.482 4.340 0.001 0.000 0.279 514 L C -0.809 176.178 176.870 0.195 0.000 1.108 514 L CA 0.399 55.348 54.840 0.182 0.000 0.852 514 L CB -0.052 42.058 42.059 0.086 0.000 1.169 514 L HN 0.606 nan 8.230 nan 0.000 0.452 515 H N 4.011 123.185 119.070 0.174 0.000 2.473 515 H HA 0.323 4.879 4.556 0.000 0.000 0.327 515 H C 1.087 176.313 175.328 -0.170 0.000 1.105 515 H CA -0.183 55.783 56.048 -0.137 0.000 1.280 515 H CB 0.861 30.408 29.762 -0.358 0.000 1.450 515 H HN 0.768 nan 8.280 nan 0.000 0.492 516 N N 1.828 120.324 118.700 -0.340 0.000 2.106 516 N HA -0.295 4.445 4.740 0.001 0.000 0.200 516 N C 1.592 177.142 175.510 0.067 0.000 1.014 516 N CA 2.566 55.547 53.050 -0.115 0.000 0.891 516 N CB -0.463 37.890 38.487 -0.222 0.000 1.069 516 N HN 0.797 nan 8.380 nan 0.000 0.490 517 T N -0.799 113.846 114.554 0.151 0.000 2.869 517 T HA -0.173 4.177 4.350 0.001 0.000 0.270 517 T C 1.447 176.195 174.700 0.079 0.000 1.082 517 T CA 1.157 63.277 62.100 0.034 0.000 1.123 517 T CB -0.558 68.193 68.868 -0.195 0.000 0.856 517 T HN 0.290 nan 8.240 nan 0.000 0.499 518 H N -0.373 118.726 119.070 0.048 0.000 2.518 518 H HA 0.010 4.566 4.556 0.001 0.000 0.292 518 H C 0.940 176.276 175.328 0.013 0.000 1.068 518 H CA 0.343 56.318 56.048 -0.122 0.000 1.275 518 H CB -0.683 28.962 29.762 -0.195 0.000 1.375 518 H HN 0.618 nan 8.280 nan 0.000 0.563 519 W N 2.335 123.666 121.300 0.052 0.000 2.611 519 W HA 0.082 4.742 4.660 0.001 0.000 0.346 519 W C 0.698 177.226 176.519 0.015 0.000 1.365 519 W CA 1.525 58.881 57.345 0.019 0.000 1.313 519 W CB -0.184 29.275 29.460 -0.001 0.000 1.351 519 W HN 0.487 nan 8.180 nan 0.000 0.576 520 G N 4.051 112.509 108.800 -0.570 0.000 2.184 520 G HA2 -0.352 3.609 3.960 0.001 0.000 0.264 520 G HA3 -0.352 3.609 3.960 0.001 0.000 0.264 520 G C 0.504 175.284 174.900 -0.200 0.000 0.975 520 G CA 0.623 45.418 45.100 -0.509 0.000 0.642 520 G HN 0.578 nan 8.290 nan 0.000 0.536 521 L N -1.059 120.115 121.223 -0.082 0.000 2.541 521 L HA 0.400 4.741 4.340 0.001 0.000 0.187 521 L C 1.253 178.095 176.870 -0.047 0.000 1.098 521 L CA 0.288 55.132 54.840 0.007 0.000 0.846 521 L CB -0.111 42.073 42.059 0.208 0.000 1.151 521 L HN 0.075 nan 8.230 nan 0.000 0.492 522 V N -0.320 119.515 119.914 -0.132 0.000 2.612 522 V HA 0.197 4.317 4.120 0.001 0.000 0.301 522 V C -0.221 175.750 176.094 -0.205 0.000 1.046 522 V CA -1.167 60.997 62.300 -0.228 0.000 0.946 522 V CB 2.091 33.619 31.823 -0.492 0.000 1.003 522 V HN 0.352 nan 8.190 nan 0.000 0.459 523 C N 5.882 125.077 119.300 -0.175 0.000 2.536 523 C HA 0.426 4.887 4.460 0.001 0.000 0.396 523 C C -0.664 174.243 174.990 -0.138 0.000 1.279 523 C CA -1.119 57.816 59.018 -0.138 0.000 2.148 523 C CB 0.864 28.546 27.740 -0.098 0.000 2.584 523 C HN 0.846 nan 8.230 nan 0.000 0.579 524 P HA -0.009 nan 4.420 nan 0.000 0.214 524 P C 1.319 178.575 177.300 -0.074 0.000 1.162 524 P CA 2.377 65.437 63.100 -0.067 0.000 0.874 524 P CB 0.034 31.729 31.700 -0.009 0.000 0.784 525 A N -0.458 122.326 122.820 -0.060 0.000 1.903 525 A HA -0.065 4.255 4.320 0.001 0.000 0.213 525 A C 1.297 178.830 177.584 -0.085 0.000 1.185 525 A CA 0.337 52.337 52.037 -0.061 0.000 0.628 525 A CB -1.184 17.794 19.000 -0.036 0.000 0.830 525 A HN 0.157 nan 8.150 nan 0.000 0.446 526 E N 0.718 120.868 120.200 -0.084 0.000 2.383 526 E HA 0.306 4.656 4.350 0.001 0.000 0.257 526 E C -0.283 176.252 176.600 -0.108 0.000 1.079 526 E CA 0.568 56.915 56.400 -0.088 0.000 0.934 526 E CB 0.048 29.700 29.700 -0.080 0.000 0.978 526 E HN 0.330 nan 8.360 nan 0.000 0.462 527 T N 3.830 118.319 114.554 -0.108 0.000 2.907 527 T HA 0.349 4.700 4.350 0.001 0.000 0.344 527 T C -2.880 171.756 174.700 -0.108 0.000 1.675 527 T CA -1.509 60.523 62.100 -0.113 0.000 1.076 527 T CB 1.028 69.823 68.868 -0.121 0.000 1.483 527 T HN 0.159 nan 8.240 nan 0.000 0.487 528 P HA 0.376 nan 4.420 nan 0.000 0.275 528 P C -0.779 176.469 177.300 -0.087 0.000 1.228 528 P CA -0.264 62.789 63.100 -0.078 0.000 0.786 528 P CB 0.313 31.974 31.700 -0.064 0.000 0.927 529 E N 1.342 121.497 120.200 -0.076 0.000 2.259 529 E HA 0.410 4.760 4.350 0.001 0.000 0.281 529 E C 0.963 177.541 176.600 -0.038 0.000 1.037 529 E CA -0.185 56.170 56.400 -0.074 0.000 0.854 529 E CB 0.211 29.888 29.700 -0.039 0.000 1.051 529 E HN 0.704 nan 8.360 nan 0.000 0.409 530 G N 2.472 111.250 108.800 -0.037 0.000 2.682 530 G HA2 -0.419 3.542 3.960 0.001 0.000 0.256 530 G HA3 -0.419 3.542 3.960 0.001 0.000 0.256 530 G C 0.456 175.343 174.900 -0.023 0.000 1.333 530 G CA 0.333 45.421 45.100 -0.020 0.000 0.904 530 G HN 0.775 nan 8.290 nan 0.000 0.569 531 Q N -3.034 116.756 119.800 -0.016 0.000 1.868 531 Q HA -0.381 3.959 4.340 0.001 0.000 0.209 531 Q C 1.602 177.590 176.000 -0.020 0.000 2.846 531 Q CA 3.001 58.795 55.803 -0.016 0.000 0.366 531 Q CB -1.671 27.058 28.738 -0.015 0.000 0.587 531 Q HN 2.385 nan 8.270 nan 0.000 0.453 532 A N 0.259 123.063 122.820 -0.026 0.000 3.113 532 A HA 0.432 4.752 4.320 0.001 0.000 0.307 532 A C -0.392 177.169 177.584 -0.040 0.000 1.025 532 A CA -0.076 51.943 52.037 -0.030 0.000 1.012 532 A CB 0.465 19.447 19.000 -0.030 0.000 1.085 532 A HN 0.491 nan 8.150 nan 0.000 0.519 533 C N 0.630 119.906 119.300 -0.040 0.000 2.555 533 C HA 0.550 5.011 4.460 0.001 0.000 0.385 533 C C 1.677 176.635 174.990 -0.053 0.000 1.296 533 C CA 1.339 60.325 59.018 -0.053 0.000 1.757 533 C CB -1.365 26.341 27.740 -0.056 0.000 2.445 533 C HN 1.817 nan 8.230 nan 0.000 0.571 534 G N 4.693 113.454 108.800 -0.065 0.000 2.254 534 G HA2 -0.233 3.727 3.960 0.001 0.000 0.225 534 G HA3 -0.233 3.727 3.960 0.001 0.000 0.225 534 G C 0.535 175.403 174.900 -0.054 0.000 1.003 534 G CA 0.394 45.455 45.100 -0.065 0.000 0.622 534 G HN 0.729 nan 8.290 nan 0.000 0.507 535 L N 0.659 121.856 121.223 -0.043 0.000 2.554 535 L HA 0.358 4.698 4.340 0.001 0.000 0.226 535 L C 0.765 177.607 176.870 -0.046 0.000 1.137 535 L CA 0.323 55.144 54.840 -0.032 0.000 0.863 535 L CB 0.296 42.340 42.059 -0.023 0.000 0.985 535 L HN 0.153 nan 8.230 nan 0.000 0.451 536 V N 0.508 120.383 119.914 -0.066 0.000 2.555 536 V HA 0.439 4.559 4.120 0.001 0.000 0.302 536 V C -0.194 175.836 176.094 -0.107 0.000 1.038 536 V CA -0.752 61.499 62.300 -0.082 0.000 0.887 536 V CB 1.932 33.704 31.823 -0.086 0.000 0.991 536 V HN 0.038 nan 8.190 nan 0.000 0.434 537 K N 3.345 123.677 120.400 -0.112 0.000 2.435 537 K HA 0.553 4.873 4.320 0.001 0.000 0.251 537 K C -1.156 175.371 176.600 -0.122 0.000 0.954 537 K CA -0.684 55.517 56.287 -0.143 0.000 0.820 537 K CB 2.704 35.100 32.500 -0.173 0.000 1.292 537 K HN 0.671 nan 8.250 nan 0.000 0.436 538 N N 1.267 119.890 118.700 -0.129 0.000 2.284 538 N HA 0.383 5.123 4.740 0.001 0.000 0.300 538 N C -0.619 174.835 175.510 -0.094 0.000 1.047 538 N CA -0.677 52.314 53.050 -0.099 0.000 0.821 538 N CB 1.716 40.151 38.487 -0.088 0.000 1.337 538 N HN 0.185 nan 8.380 nan 0.000 0.482 539 L N 1.743 122.929 121.223 -0.061 0.000 2.426 539 L HA 0.173 4.513 4.340 0.001 0.000 0.271 539 L C 0.732 177.576 176.870 -0.044 0.000 1.169 539 L CA -0.116 54.696 54.840 -0.046 0.000 0.836 539 L CB 0.563 42.609 42.059 -0.023 0.000 1.112 539 L HN 0.564 nan 8.230 nan 0.000 0.465 540 S N 2.325 117.990 115.700 -0.059 0.000 2.587 540 S HA 0.114 4.584 4.470 0.001 0.000 0.260 540 S C 1.417 176.018 174.600 0.002 0.000 1.353 540 S CA -0.683 57.485 58.200 -0.055 0.000 0.995 540 S CB 0.674 63.809 63.200 -0.109 0.000 0.912 540 S HN 0.453 nan 8.310 nan 0.000 0.568 541 L N 0.344 121.601 121.223 0.055 0.000 1.989 541 L HA -0.140 4.200 4.340 0.001 0.000 0.211 541 L C 2.382 179.351 176.870 0.165 0.000 1.071 541 L CA 1.588 56.553 54.840 0.207 0.000 0.749 541 L CB -0.330 41.941 42.059 0.353 0.000 0.890 541 L HN 0.623 nan 8.230 nan 0.000 0.431 542 M N -0.404 119.168 119.600 -0.047 0.000 2.561 542 M HA 0.030 4.511 4.480 0.001 0.000 0.238 542 M C 0.819 176.936 176.300 -0.306 0.000 1.131 542 M CA -0.034 55.060 55.300 -0.342 0.000 1.046 542 M CB 0.214 32.451 32.600 -0.604 0.000 1.532 542 M HN 0.268 nan 8.290 nan 0.000 0.497 543 S N -0.860 114.746 115.700 -0.156 0.000 2.562 543 S HA 0.490 4.960 4.470 0.001 0.000 0.275 543 S C -0.173 174.321 174.600 -0.177 0.000 1.281 543 S CA -1.066 57.024 58.200 -0.184 0.000 1.045 543 S CB 1.197 64.319 63.200 -0.130 0.000 0.962 543 S HN 0.348 nan 8.310 nan 0.000 0.503 544 C N 1.760 120.830 119.300 -0.384 0.000 3.157 544 C HA 0.752 5.212 4.460 0.001 0.000 0.368 544 C C -0.540 174.084 174.990 -0.610 0.000 1.623 544 C CA -0.854 57.933 59.018 -0.385 0.000 1.530 544 C CB 0.436 28.043 27.740 -0.223 0.000 2.152 544 C HN 0.861 nan 8.230 nan 0.000 0.456 545 I N 1.409 121.778 120.570 -0.335 0.000 2.465 545 I HA 0.330 4.500 4.170 0.001 0.000 0.291 545 I C 0.430 176.594 176.117 0.078 0.000 1.014 545 I CA 0.320 61.514 61.300 -0.177 0.000 1.093 545 I CB 1.844 39.806 38.000 -0.064 0.000 1.267 545 I HN 0.799 nan 8.210 nan 0.000 0.431 546 S N 5.030 120.895 115.700 0.276 0.000 2.575 546 S HA 0.046 4.517 4.470 0.001 0.000 0.295 546 S C 0.845 175.539 174.600 0.156 0.000 1.267 546 S CA -0.354 58.058 58.200 0.353 0.000 1.074 546 S CB 0.911 64.258 63.200 0.245 0.000 0.829 546 S HN 0.564 nan 8.310 nan 0.000 0.497 547 V N 3.633 123.625 119.914 0.130 0.000 2.825 547 V HA 0.461 4.581 4.120 0.001 0.000 0.246 547 V C 1.203 177.307 176.094 0.017 0.000 1.068 547 V CA 1.729 64.071 62.300 0.069 0.000 1.088 547 V CB -0.536 31.325 31.823 0.063 0.000 0.733 547 V HN 1.587 nan 8.190 nan 0.000 0.468 548 G N -0.738 108.062 108.800 0.000 0.000 2.459 548 G HA2 0.159 4.120 3.960 0.001 0.000 0.685 548 G HA3 0.159 4.120 3.960 0.001 0.000 0.685 548 G C -0.476 174.377 174.900 -0.079 0.000 1.303 548 G CA -0.300 44.781 45.100 -0.032 0.000 0.907 548 G HN 0.516 nan 8.290 nan 0.000 0.632 549 T N -0.778 113.733 114.554 -0.073 0.000 2.618 549 T HA 0.668 5.019 4.350 0.001 0.000 0.286 549 T C -1.424 173.232 174.700 -0.073 0.000 1.027 549 T CA -0.514 61.527 62.100 -0.097 0.000 1.063 549 T CB 1.922 70.740 68.868 -0.084 0.000 1.440 549 T HN 0.717 nan 8.240 nan 0.000 0.505 550 D N 0.902 121.262 120.400 -0.067 0.000 2.233 550 D HA 0.494 5.134 4.640 0.001 0.000 0.240 550 D C -1.659 174.625 176.300 -0.026 0.000 1.074 550 D CA -2.285 51.692 54.000 -0.039 0.000 0.838 550 D CB 1.690 42.470 40.800 -0.033 0.000 1.124 550 D HN 0.005 nan 8.370 nan 0.000 0.475 551 P HA -0.105 nan 4.420 nan 0.000 0.214 551 P C 1.640 178.921 177.300 -0.031 0.000 1.162 551 P CA 1.289 64.385 63.100 -0.007 0.000 0.874 551 P CB -0.131 31.584 31.700 0.024 0.000 0.784 552 M N -1.401 118.186 119.600 -0.022 0.000 2.279 552 M HA 0.025 4.505 4.480 0.001 0.000 0.264 552 M C -1.101 175.185 176.300 -0.023 0.000 1.062 552 M CA 1.995 57.276 55.300 -0.032 0.000 1.099 552 M CB -2.185 30.411 32.600 -0.008 0.000 1.394 552 M HN -0.120 nan 8.290 nan 0.000 0.426 553 P HA -0.006 nan 4.420 nan 0.000 0.234 553 P C 1.290 178.592 177.300 0.003 0.000 1.167 553 P CA 0.787 63.887 63.100 0.000 0.000 0.763 553 P CB -0.115 31.578 31.700 -0.011 0.000 0.835 554 I N -0.977 119.580 120.570 -0.023 0.000 2.364 554 I HA -0.099 4.071 4.170 0.001 0.000 0.241 554 I C 2.213 178.343 176.117 0.022 0.000 1.082 554 I CA 0.698 61.988 61.300 -0.017 0.000 1.401 554 I CB -1.306 36.657 38.000 -0.060 0.000 1.126 554 I HN -0.113 nan 8.210 nan 0.000 0.429 555 I N 1.433 121.954 120.570 -0.082 0.000 2.151 555 I HA -0.395 3.775 4.170 0.001 0.000 0.236 555 I C 2.589 178.678 176.117 -0.047 0.000 1.000 555 I CA 2.110 63.310 61.300 -0.165 0.000 1.285 555 I CB -2.137 35.690 38.000 -0.288 0.000 0.994 555 I HN 0.227 nan 8.210 nan 0.000 0.396 556 T N 1.166 115.719 114.554 -0.003 0.000 2.680 556 T HA -0.275 4.076 4.350 0.001 0.000 0.268 556 T C 1.725 176.473 174.700 0.080 0.000 1.033 556 T CA 2.061 64.184 62.100 0.038 0.000 1.152 556 T CB -0.699 68.201 68.868 0.054 0.000 0.859 556 T HN 0.360 nan 8.240 nan 0.000 0.452 557 F N 1.638 121.576 119.950 -0.019 0.000 2.102 557 F HA -0.018 4.509 4.527 0.001 0.000 0.298 557 F C 1.893 177.716 175.800 0.039 0.000 1.105 557 F CA 1.091 59.091 58.000 -0.001 0.000 1.239 557 F CB -0.459 38.479 39.000 -0.103 0.000 0.991 557 F HN 0.056 nan 8.300 nan 0.000 0.474 558 L N 0.202 121.407 121.223 -0.031 0.000 1.994 558 L HA -0.221 4.120 4.340 0.001 0.000 0.208 558 L C 2.480 179.324 176.870 -0.043 0.000 1.071 558 L CA 1.569 56.360 54.840 -0.082 0.000 0.745 558 L CB -1.355 40.700 42.059 -0.008 0.000 0.892 558 L HN 0.250 nan 8.230 nan 0.000 0.431 559 S N -0.933 114.753 115.700 -0.023 0.000 2.723 559 S HA -0.072 4.398 4.470 0.001 0.000 0.231 559 S C 0.801 175.393 174.600 -0.013 0.000 0.967 559 S CA 0.578 58.774 58.200 -0.007 0.000 0.958 559 S CB -0.447 62.750 63.200 -0.005 0.000 0.778 559 S HN 0.510 nan 8.310 nan 0.000 0.537 560 E N -0.745 119.443 120.200 -0.021 0.000 3.428 560 E HA 0.226 4.576 4.350 0.001 0.000 0.191 560 E C -1.409 175.155 176.600 -0.060 0.000 0.980 560 E CA -0.198 56.178 56.400 -0.040 0.000 1.305 560 E CB 0.512 30.200 29.700 -0.021 0.000 1.105 560 E HN 0.650 nan 8.360 nan 0.000 0.455 561 W N -0.105 121.046 121.300 -0.249 0.000 0.996 561 W HA 0.290 4.950 4.660 0.001 0.000 0.266 561 W C 0.967 177.473 176.519 -0.022 0.000 0.852 561 W CA -0.001 57.212 57.345 -0.219 0.000 1.915 561 W CB 1.043 30.244 29.460 -0.432 0.000 1.130 561 W HN 0.261 nan 8.180 nan 0.000 0.457 562 G N 0.855 109.707 108.800 0.086 0.000 2.199 562 G HA2 -0.355 3.605 3.960 0.001 0.000 0.254 562 G HA3 -0.355 3.605 3.960 0.001 0.000 0.254 562 G C 0.567 175.539 174.900 0.120 0.000 0.982 562 G CA 0.096 45.247 45.100 0.085 0.000 0.632 562 G HN 0.263 nan 8.290 nan 0.000 0.529 563 M N 1.505 121.249 119.600 0.239 0.000 2.248 563 M HA 0.420 4.901 4.480 0.001 0.000 0.345 563 M C 0.048 176.368 176.300 0.034 0.000 1.243 563 M CA 0.446 55.864 55.300 0.196 0.000 1.090 563 M CB 0.258 32.946 32.600 0.147 0.000 1.683 563 M HN 0.273 nan 8.290 nan 0.000 0.450 564 E N 6.428 126.614 120.200 -0.024 0.000 2.174 564 E HA 0.380 4.730 4.350 0.001 0.000 0.282 564 E C -2.366 174.164 176.600 -0.117 0.000 0.992 564 E CA -1.862 54.494 56.400 -0.074 0.000 0.803 564 E CB 0.919 30.563 29.700 -0.093 0.000 1.090 564 E HN 0.482 nan 8.360 nan 0.000 0.396 565 P HA -0.085 nan 4.420 nan 0.000 0.271 565 P C 0.384 177.534 177.300 -0.250 0.000 1.233 565 P CA -0.332 62.691 63.100 -0.127 0.000 0.789 565 P CB 0.610 32.268 31.700 -0.071 0.000 0.951 566 L N 2.234 123.258 121.223 -0.332 0.000 2.046 566 L HA -0.161 4.179 4.340 0.001 0.000 0.208 566 L C 1.866 178.442 176.870 -0.490 0.000 1.077 566 L CA 1.897 56.383 54.840 -0.590 0.000 0.747 566 L CB -1.341 40.341 42.059 -0.629 0.000 0.896 566 L HN 0.413 nan 8.230 nan 0.000 0.432 567 E N -1.462 118.604 120.200 -0.223 0.000 2.515 567 E HA -0.157 4.193 4.350 0.001 0.000 0.201 567 E C -0.029 176.537 176.600 -0.058 0.000 1.071 567 E CA 0.645 56.997 56.400 -0.081 0.000 0.880 567 E CB -0.490 29.208 29.700 -0.003 0.000 0.828 567 E HN 0.473 nan 8.360 nan 0.000 0.540 568 D N 0.276 120.612 120.400 -0.105 0.000 2.892 568 D HA 0.082 4.722 4.640 0.001 0.000 0.291 568 D C -1.356 174.925 176.300 -0.032 0.000 1.341 568 D CA -0.385 53.584 54.000 -0.053 0.000 0.844 568 D CB -0.360 40.410 40.800 -0.050 0.000 1.093 568 D HN 0.096 nan 8.370 nan 0.000 0.480 569 Y N 1.338 121.475 120.300 -0.272 0.000 2.335 569 Y HA 0.399 4.949 4.550 0.001 0.000 0.338 569 Y C -0.503 175.326 175.900 -0.118 0.000 0.977 569 Y CA -1.665 56.248 58.100 -0.313 0.000 1.114 569 Y CB 1.192 39.237 38.460 -0.691 0.000 1.182 569 Y HN -0.156 nan 8.280 nan 0.000 0.463 570 V N 6.958 126.650 119.914 -0.371 0.000 2.250 570 V HA 0.383 4.503 4.120 0.001 0.000 0.268 570 V C -2.419 173.228 176.094 -0.745 0.000 1.043 570 V CA -1.970 60.025 62.300 -0.508 0.000 0.814 570 V CB 1.074 32.636 31.823 -0.436 0.000 1.072 570 V HN 0.605 nan 8.190 nan 0.000 0.451 571 P HA -0.193 nan 4.420 nan 0.000 0.216 571 P C 1.515 178.742 177.300 -0.121 0.000 1.150 571 P CA 2.028 64.829 63.100 -0.499 0.000 0.843 571 P CB -0.084 31.584 31.700 -0.053 0.000 0.787 572 H N -1.142 117.885 119.070 -0.072 0.000 2.524 572 H HA 0.013 4.569 4.556 0.000 0.000 0.282 572 H C 1.717 177.043 175.328 -0.005 0.000 1.016 572 H CA 0.925 56.968 56.048 -0.009 0.000 1.270 572 H CB -0.577 29.180 29.762 -0.008 0.000 1.394 572 H HN 0.274 nan 8.280 nan 0.000 0.568 573 Q N 1.158 120.704 119.800 -0.423 0.000 2.392 573 Q HA 0.123 4.463 4.340 0.001 0.000 0.219 573 Q C -0.046 175.892 176.000 -0.104 0.000 0.895 573 Q CA 0.015 55.675 55.803 -0.239 0.000 0.929 573 Q CB 0.811 29.356 28.738 -0.322 0.000 1.077 573 Q HN 0.187 nan 8.270 nan 0.000 0.532 574 S N 2.440 118.092 115.700 -0.080 0.000 2.528 574 S HA 0.264 4.734 4.470 0.001 0.000 0.303 574 S C -2.195 172.464 174.600 0.098 0.000 1.123 574 S CA -1.184 57.045 58.200 0.048 0.000 1.138 574 S CB 1.618 64.926 63.200 0.180 0.000 0.984 574 S HN 0.302 nan 8.310 nan 0.000 0.474 575 P HA 0.146 nan 4.420 nan 0.000 0.210 575 P C -0.209 177.145 177.300 0.089 0.000 1.173 575 P CA 0.533 63.687 63.100 0.090 0.000 0.898 575 P CB 0.048 31.790 31.700 0.069 0.000 0.758 576 D N 0.563 121.001 120.400 0.063 0.000 2.671 576 D HA 0.368 5.008 4.640 0.001 0.000 0.228 576 D C -0.244 176.086 176.300 0.049 0.000 1.102 576 D CA 0.352 54.385 54.000 0.055 0.000 1.044 576 D CB -1.009 39.816 40.800 0.041 0.000 1.113 576 D HN 0.104 nan 8.370 nan 0.000 0.480 577 A N 0.877 123.736 122.820 0.066 0.000 2.340 577 A HA 0.432 4.752 4.320 0.001 0.000 0.297 577 A C 0.301 177.915 177.584 0.051 0.000 1.195 577 A CA -0.726 51.341 52.037 0.050 0.000 0.769 577 A CB 0.911 19.955 19.000 0.074 0.000 1.163 577 A HN 0.070 nan 8.150 nan 0.000 0.472 578 T N 3.696 118.288 114.554 0.063 0.000 2.779 578 T HA 0.297 4.647 4.350 0.001 0.000 0.296 578 T C 0.679 175.419 174.700 0.067 0.000 0.938 578 T CA 0.037 62.182 62.100 0.075 0.000 1.119 578 T CB -0.093 68.837 68.868 0.103 0.000 0.891 578 T HN 0.732 nan 8.240 nan 0.000 0.526 579 R N 1.897 122.422 120.500 0.042 0.000 2.490 579 R HA 0.622 4.962 4.340 0.001 0.000 0.278 579 R C -0.964 175.350 176.300 0.022 0.000 1.069 579 R CA -0.824 55.290 56.100 0.024 0.000 1.080 579 R CB 0.450 30.635 30.300 -0.192 0.000 1.030 579 R HN 0.268 nan 8.270 nan 0.000 0.491 580 V N 3.149 123.070 119.914 0.011 0.000 2.555 580 V HA 0.482 4.602 4.120 0.001 0.000 0.302 580 V C -0.751 175.314 176.094 -0.048 0.000 1.038 580 V CA -0.620 61.719 62.300 0.064 0.000 0.887 580 V CB 1.088 32.960 31.823 0.081 0.000 0.991 580 V HN 0.557 nan 8.190 nan 0.000 0.434 581 F N 2.706 122.617 119.950 -0.064 0.000 2.598 581 F HA 0.847 5.374 4.527 0.001 0.000 0.327 581 F C -0.064 175.715 175.800 -0.036 0.000 1.057 581 F CA -1.106 56.865 58.000 -0.048 0.000 0.957 581 F CB 2.167 41.053 39.000 -0.190 0.000 1.278 581 F HN 0.166 nan 8.300 nan 0.000 0.484 582 V N 1.752 121.813 119.914 0.246 0.000 2.789 582 V HA 0.237 4.358 4.120 0.001 0.000 0.300 582 V C -0.656 175.544 176.094 0.177 0.000 1.184 582 V CA -1.254 61.127 62.300 0.136 0.000 0.930 582 V CB 1.758 33.660 31.823 0.132 0.000 1.041 582 V HN 0.789 nan 8.190 nan 0.000 0.430 583 N N 3.499 122.294 118.700 0.159 0.000 2.661 583 N HA -0.217 4.523 4.740 0.001 0.000 0.249 583 N C 0.965 176.631 175.510 0.259 0.000 1.142 583 N CA 2.287 55.513 53.050 0.293 0.000 0.727 583 N CB -0.917 37.695 38.487 0.210 0.000 1.099 583 N HN 1.799 nan 8.380 nan 0.000 0.558 584 G N -2.731 106.214 108.800 0.241 0.000 2.165 584 G HA2 -0.192 3.768 3.960 0.001 0.000 0.226 584 G HA3 -0.192 3.768 3.960 0.001 0.000 0.226 584 G C -0.348 174.751 174.900 0.332 0.000 1.035 584 G CA 0.058 45.335 45.100 0.296 0.000 0.744 584 G HN 0.495 nan 8.290 nan 0.000 0.501 585 V N 0.445 120.508 119.914 0.248 0.000 2.487 585 V HA 0.585 4.706 4.120 0.001 0.000 0.298 585 V C 0.090 176.152 176.094 -0.054 0.000 1.028 585 V CA -1.180 61.120 62.300 -0.000 0.000 0.860 585 V CB 1.715 33.446 31.823 -0.154 0.000 0.991 585 V HN 0.348 nan 8.190 nan 0.000 0.427 586 W N 5.442 126.533 121.300 -0.348 0.000 2.546 586 W HA 0.300 4.960 4.660 0.001 0.000 0.323 586 W C 0.496 176.715 176.519 -0.500 0.000 1.272 586 W CA -0.414 56.593 57.345 -0.564 0.000 1.404 586 W CB -0.113 29.103 29.460 -0.406 0.000 1.411 586 W HN 0.628 nan 8.180 nan 0.000 0.480 587 H N 5.178 124.281 119.070 0.055 0.000 2.579 587 H HA 0.282 4.838 4.556 0.000 0.000 0.289 587 H C 1.259 176.515 175.328 -0.120 0.000 1.270 587 H CA 0.794 56.811 56.048 -0.053 0.000 1.060 587 H CB -0.231 29.517 29.762 -0.023 0.000 1.554 587 H HN 0.668 nan 8.280 nan 0.000 0.515 588 G N 0.233 108.862 108.800 -0.285 0.000 2.741 588 G HA2 -0.238 3.722 3.960 0.001 0.000 0.222 588 G HA3 -0.238 3.722 3.960 0.001 0.000 0.222 588 G C -0.697 174.088 174.900 -0.192 0.000 1.364 588 G CA -0.295 44.541 45.100 -0.439 0.000 0.866 588 G HN 0.283 nan 8.290 nan 0.000 0.555 589 V N -0.087 119.652 119.914 -0.292 0.000 2.919 589 V HA 0.778 4.899 4.120 0.001 0.000 0.316 589 V C 0.044 176.116 176.094 -0.037 0.000 1.077 589 V CA -0.195 62.005 62.300 -0.166 0.000 0.977 589 V CB 1.982 33.528 31.823 -0.461 0.000 1.039 589 V HN 1.210 nan 8.190 nan 0.000 0.441 590 H N 2.004 121.040 119.070 -0.056 0.000 2.690 590 H HA 0.703 5.260 4.556 0.001 0.000 0.368 590 H C -0.602 174.724 175.328 -0.003 0.000 1.150 590 H CA -0.747 55.288 56.048 -0.021 0.000 1.174 590 H CB 1.539 31.307 29.762 0.009 0.000 1.684 590 H HN 0.561 nan 8.280 nan 0.000 0.538 591 R N 3.173 123.273 120.500 -0.667 0.000 2.343 591 R HA 0.257 4.597 4.340 0.001 0.000 0.320 591 R C -0.773 175.295 176.300 -0.388 0.000 0.956 591 R CA -0.814 55.066 56.100 -0.366 0.000 0.836 591 R CB 0.755 30.915 30.300 -0.234 0.000 1.151 591 R HN 0.865 nan 8.270 nan 0.000 0.450 592 N N 2.475 121.150 118.700 -0.041 0.000 2.744 592 N HA -0.072 4.668 4.740 0.001 0.000 0.263 592 N C -2.466 173.245 175.510 0.335 0.000 1.150 592 N CA -0.072 53.040 53.050 0.102 0.000 0.668 592 N CB -0.149 38.371 38.487 0.056 0.000 0.908 592 N HN 0.407 nan 8.380 nan 0.000 0.562 593 P HA 0.249 nan 4.420 nan 0.000 0.255 593 P C 1.032 178.398 177.300 0.110 0.000 1.357 593 P CA 0.597 63.813 63.100 0.193 0.000 0.839 593 P CB 0.078 31.859 31.700 0.135 0.000 1.356 594 A N 1.280 124.171 122.820 0.119 0.000 1.851 594 A HA -0.216 4.104 4.320 0.001 0.000 0.216 594 A C 2.259 179.892 177.584 0.081 0.000 1.195 594 A CA 1.498 53.586 52.037 0.084 0.000 0.622 594 A CB -0.746 18.301 19.000 0.079 0.000 0.831 594 A HN 0.128 nan 8.150 nan 0.000 0.444 595 R N -1.336 119.233 120.500 0.114 0.000 2.112 595 R HA 0.098 4.438 4.340 0.001 0.000 0.216 595 R C 2.178 178.536 176.300 0.097 0.000 1.080 595 R CA 0.920 57.092 56.100 0.120 0.000 0.996 595 R CB -0.595 29.805 30.300 0.166 0.000 0.902 595 R HN 0.489 nan 8.270 nan 0.000 0.449 596 L N 1.029 122.304 121.223 0.087 0.000 2.043 596 L HA -0.197 4.143 4.340 0.001 0.000 0.212 596 L C 2.337 179.157 176.870 -0.083 0.000 1.075 596 L CA 1.738 56.552 54.840 -0.044 0.000 0.752 596 L CB -0.347 41.532 42.059 -0.301 0.000 0.891 596 L HN 0.079 nan 8.230 nan 0.000 0.432 597 M N -0.005 119.566 119.600 -0.049 0.000 2.084 597 M HA -0.218 4.262 4.480 0.001 0.000 0.259 597 M C 2.262 178.536 176.300 -0.044 0.000 1.072 597 M CA 2.153 57.426 55.300 -0.044 0.000 1.107 597 M CB -0.752 31.840 32.600 -0.013 0.000 1.299 597 M HN 0.396 nan 8.290 nan 0.000 0.413 598 E N -0.914 119.278 120.200 -0.014 0.000 2.171 598 E HA -0.166 4.185 4.350 0.001 0.000 0.197 598 E C 1.714 178.290 176.600 -0.041 0.000 0.997 598 E CA 2.148 58.540 56.400 -0.013 0.000 0.810 598 E CB -0.466 29.244 29.700 0.016 0.000 0.738 598 E HN 0.620 nan 8.360 nan 0.000 0.467 599 T N 0.803 115.320 114.554 -0.061 0.000 2.777 599 T HA -0.072 4.278 4.350 0.001 0.000 0.266 599 T C 1.595 176.173 174.700 -0.203 0.000 1.040 599 T CA 0.810 62.832 62.100 -0.130 0.000 1.141 599 T CB -0.115 68.616 68.868 -0.228 0.000 0.868 599 T HN 0.096 nan 8.240 nan 0.000 0.444 600 L N 1.043 122.147 121.223 -0.198 0.000 2.042 600 L HA -0.037 4.303 4.340 0.001 0.000 0.210 600 L C 2.583 179.346 176.870 -0.177 0.000 1.076 600 L CA 1.807 56.511 54.840 -0.227 0.000 0.749 600 L CB -0.872 41.087 42.059 -0.167 0.000 0.893 600 L HN 0.258 nan 8.230 nan 0.000 0.432 601 R N -1.382 119.049 120.500 -0.116 0.000 2.148 601 R HA -0.093 4.247 4.340 0.001 0.000 0.223 601 R C 2.145 178.390 176.300 -0.092 0.000 1.088 601 R CA 1.361 57.409 56.100 -0.086 0.000 0.985 601 R CB -0.190 30.082 30.300 -0.045 0.000 0.880 601 R HN 0.325 nan 8.270 nan 0.000 0.451 602 T N 1.326 115.822 114.554 -0.097 0.000 2.777 602 T HA -0.042 4.309 4.350 0.001 0.000 0.266 602 T C 1.736 176.369 174.700 -0.111 0.000 1.040 602 T CA 1.001 63.049 62.100 -0.087 0.000 1.141 602 T CB -0.008 68.821 68.868 -0.065 0.000 0.868 602 T HN 0.146 nan 8.240 nan 0.000 0.444 603 L N 0.598 121.725 121.223 -0.160 0.000 2.179 603 L HA 0.107 4.448 4.340 0.001 0.000 0.208 603 L C 2.804 179.570 176.870 -0.173 0.000 1.096 603 L CA 0.898 55.628 54.840 -0.184 0.000 0.779 603 L CB -0.608 41.281 42.059 -0.284 0.000 0.922 603 L HN 0.127 nan 8.230 nan 0.000 0.443 604 R N 1.266 121.664 120.500 -0.170 0.000 2.090 604 R HA -0.097 4.243 4.340 0.001 0.000 0.228 604 R C 2.186 178.407 176.300 -0.132 0.000 1.110 604 R CA 1.128 57.136 56.100 -0.153 0.000 0.973 604 R CB -0.077 30.138 30.300 -0.140 0.000 0.869 604 R HN 0.279 nan 8.270 nan 0.000 0.440 605 R N 0.258 120.689 120.500 -0.114 0.000 2.280 605 R HA -0.040 4.301 4.340 0.001 0.000 0.207 605 R C 1.953 178.193 176.300 -0.100 0.000 1.043 605 R CA 0.872 56.910 56.100 -0.103 0.000 1.006 605 R CB 0.045 30.293 30.300 -0.087 0.000 0.885 605 R HN 0.179 nan 8.270 nan 0.000 0.467 606 K N -0.753 119.586 120.400 -0.101 0.000 2.356 606 K HA 0.005 4.326 4.320 0.001 0.000 0.195 606 K C 0.809 177.347 176.600 -0.104 0.000 1.037 606 K CA 0.809 57.042 56.287 -0.090 0.000 1.014 606 K CB 0.621 33.074 32.500 -0.079 0.000 0.815 606 K HN 0.238 nan 8.250 nan 0.000 0.507 607 G N 1.010 109.735 108.800 -0.125 0.000 2.176 607 G HA2 -0.238 3.722 3.960 0.001 0.000 0.232 607 G HA3 -0.238 3.722 3.960 0.001 0.000 0.232 607 G C 0.484 175.306 174.900 -0.131 0.000 0.986 607 G CA 0.416 45.435 45.100 -0.135 0.000 0.643 607 G HN 0.382 nan 8.290 nan 0.000 0.522 608 D N 0.061 120.381 120.400 -0.133 0.000 2.097 608 D HA -0.041 4.600 4.640 0.001 0.000 0.195 608 D C 1.188 177.387 176.300 -0.168 0.000 0.989 608 D CA 0.985 54.900 54.000 -0.141 0.000 0.827 608 D CB 0.087 40.796 40.800 -0.151 0.000 0.966 608 D HN 0.355 nan 8.370 nan 0.000 0.456 609 I N 2.093 122.546 120.570 -0.195 0.000 2.325 609 I HA 0.048 4.218 4.170 0.001 0.000 0.291 609 I C 0.657 176.671 176.117 -0.172 0.000 1.019 609 I CA -0.975 60.205 61.300 -0.200 0.000 1.302 609 I CB 0.080 37.941 38.000 -0.232 0.000 1.401 609 I HN -0.116 nan 8.210 nan 0.000 0.485 610 N N 9.020 127.625 118.700 -0.158 0.000 2.236 610 N HA -0.077 4.664 4.740 0.001 0.000 0.274 610 N C -1.665 173.726 175.510 -0.199 0.000 1.339 610 N CA -0.530 52.421 53.050 -0.165 0.000 0.845 610 N CB 0.959 39.360 38.487 -0.143 0.000 1.091 610 N HN 0.312 nan 8.380 nan 0.000 0.489 611 P HA -0.101 nan 4.420 nan 0.000 0.226 611 P C 0.763 177.855 177.300 -0.346 0.000 1.146 611 P CA 0.969 63.885 63.100 -0.308 0.000 0.773 611 P CB 0.353 31.784 31.700 -0.449 0.000 0.772 612 E N -0.386 119.605 120.200 -0.348 0.000 2.001 612 E HA -0.083 4.267 4.350 0.001 0.000 0.195 612 E C 0.406 176.879 176.600 -0.211 0.000 1.002 612 E CA 0.662 56.848 56.400 -0.357 0.000 0.819 612 E CB -0.699 28.876 29.700 -0.209 0.000 0.769 612 E HN -0.088 nan 8.360 nan 0.000 0.454 613 V N 2.920 122.758 119.914 -0.126 0.000 2.717 613 V HA -0.127 3.993 4.120 0.001 0.000 0.302 613 V C 0.505 176.578 176.094 -0.033 0.000 1.097 613 V CA 0.593 62.862 62.300 -0.053 0.000 1.262 613 V CB -0.093 31.694 31.823 -0.060 0.000 0.846 613 V HN 0.289 nan 8.190 nan 0.000 0.485 614 S N 6.733 122.455 115.700 0.037 0.000 2.638 614 S HA 0.870 5.341 4.470 0.001 0.000 0.298 614 S C -0.759 173.871 174.600 0.051 0.000 1.111 614 S CA -0.987 57.246 58.200 0.054 0.000 1.027 614 S CB 1.996 65.257 63.200 0.100 0.000 1.064 614 S HN 0.570 nan 8.310 nan 0.000 0.525 615 M N 2.332 121.948 119.600 0.027 0.000 2.164 615 M HA 0.360 4.841 4.480 0.001 0.000 0.260 615 M C -1.912 174.386 176.300 -0.004 0.000 0.974 615 M CA -0.274 55.020 55.300 -0.010 0.000 1.020 615 M CB 1.509 34.091 32.600 -0.029 0.000 1.903 615 M HN 0.539 nan 8.290 nan 0.000 0.469 616 I N 2.792 123.347 120.570 -0.026 0.000 2.388 616 I HA 0.370 4.540 4.170 0.001 0.000 0.281 616 I C 0.078 176.174 176.117 -0.035 0.000 1.046 616 I CA -0.368 60.919 61.300 -0.022 0.000 1.187 616 I CB 0.968 38.953 38.000 -0.026 0.000 1.351 616 I HN 0.507 nan 8.210 nan 0.000 0.472 617 R N 3.832 124.323 120.500 -0.016 0.000 2.340 617 R HA 0.359 4.699 4.340 0.001 0.000 0.300 617 R C -0.787 175.508 176.300 -0.009 0.000 1.069 617 R CA 0.106 56.200 56.100 -0.010 0.000 0.984 617 R CB 0.511 30.813 30.300 0.003 0.000 1.003 617 R HN 0.433 nan 8.270 nan 0.000 0.459 618 D N 5.528 125.922 120.400 -0.010 0.000 2.461 618 D HA 0.181 4.822 4.640 0.001 0.000 0.240 618 D C 0.918 177.221 176.300 0.005 0.000 1.094 618 D CA -0.479 53.515 54.000 -0.011 0.000 0.868 618 D CB 0.793 41.574 40.800 -0.032 0.000 1.062 618 D HN 0.455 nan 8.370 nan 0.000 0.530 619 I N 2.582 123.158 120.570 0.009 0.000 2.162 619 I HA -0.105 4.065 4.170 0.001 0.000 0.238 619 I C 1.906 178.033 176.117 0.018 0.000 1.076 619 I CA 0.769 62.080 61.300 0.018 0.000 1.353 619 I CB -0.382 37.628 38.000 0.016 0.000 1.063 619 I HN 0.302 nan 8.210 nan 0.000 0.408 620 R N 0.420 120.927 120.500 0.011 0.000 2.328 620 R HA -0.107 4.234 4.340 0.001 0.000 0.200 620 R C 1.243 177.550 176.300 0.012 0.000 0.983 620 R CA 0.361 56.468 56.100 0.012 0.000 1.062 620 R CB 0.040 30.343 30.300 0.006 0.000 0.956 620 R HN 0.267 nan 8.270 nan 0.000 0.479 621 E N 0.164 120.372 120.200 0.013 0.000 2.639 621 E HA 0.074 4.425 4.350 0.001 0.000 0.225 621 E C -0.777 175.842 176.600 0.033 0.000 0.921 621 E CA -0.064 56.346 56.400 0.015 0.000 1.184 621 E CB 0.452 30.148 29.700 -0.007 0.000 1.160 621 E HN -0.052 nan 8.360 nan 0.000 0.547 622 K N 1.318 121.738 120.400 0.033 0.000 3.974 622 K HA -0.208 4.113 4.320 0.001 0.000 0.280 622 K C -0.960 175.668 176.600 0.047 0.000 0.949 622 K CA 1.049 57.364 56.287 0.046 0.000 0.817 622 K CB -1.169 31.366 32.500 0.059 0.000 1.535 622 K HN 0.284 nan 8.250 nan 0.000 0.444 623 E N 0.159 120.378 120.200 0.031 0.000 2.390 623 E HA 0.547 4.897 4.350 0.001 0.000 0.277 623 E C -1.519 175.090 176.600 0.016 0.000 0.939 623 E CA -1.150 55.271 56.400 0.035 0.000 0.769 623 E CB 1.901 31.587 29.700 -0.024 0.000 1.251 623 E HN 0.094 nan 8.360 nan 0.000 0.450 624 L N 2.168 123.421 121.223 0.050 0.000 2.518 624 L HA 0.350 4.690 4.340 0.001 0.000 0.262 624 L C -1.626 175.249 176.870 0.010 0.000 0.982 624 L CA -0.326 54.522 54.840 0.012 0.000 0.873 624 L CB 0.994 43.063 42.059 0.017 0.000 1.198 624 L HN 0.347 nan 8.230 nan 0.000 0.427 625 K N 5.725 126.056 120.400 -0.116 0.000 2.240 625 K HA 0.558 4.879 4.320 0.001 0.000 0.271 625 K C -0.963 175.486 176.600 -0.251 0.000 1.018 625 K CA -0.667 55.470 56.287 -0.250 0.000 0.874 625 K CB 1.991 34.197 32.500 -0.491 0.000 1.098 625 K HN 0.379 nan 8.250 nan 0.000 0.458 626 I N 3.253 123.693 120.570 -0.217 0.000 2.377 626 I HA 0.337 4.507 4.170 0.001 0.000 0.293 626 I C -0.593 175.414 176.117 -0.184 0.000 0.987 626 I CA -0.247 60.967 61.300 -0.144 0.000 1.185 626 I CB 0.691 38.654 38.000 -0.063 0.000 1.341 626 I HN 0.465 nan 8.210 nan 0.000 0.455 627 F N 3.730 123.678 119.950 -0.002 0.000 2.520 627 F HA 0.413 4.941 4.527 0.001 0.000 0.322 627 F C 0.870 176.660 175.800 -0.016 0.000 1.103 627 F CA -0.355 57.643 58.000 -0.004 0.000 0.926 627 F CB 2.233 41.227 39.000 -0.011 0.000 1.154 627 F HN 0.355 nan 8.300 nan 0.000 0.453 628 T N 0.189 114.901 114.554 0.264 0.000 3.130 628 T HA 0.013 4.363 4.350 0.001 0.000 0.288 628 T C -0.444 174.293 174.700 0.062 0.000 0.936 628 T CA -0.285 61.878 62.100 0.105 0.000 0.897 628 T CB -0.191 68.717 68.868 0.067 0.000 1.178 628 T HN 0.443 nan 8.240 nan 0.000 0.543 629 D N 2.387 122.821 120.400 0.057 0.000 2.478 629 D HA 0.318 4.958 4.640 0.001 0.000 0.234 629 D C 0.171 176.451 176.300 -0.034 0.000 1.154 629 D CA 0.223 54.208 54.000 -0.024 0.000 0.874 629 D CB 0.679 41.395 40.800 -0.140 0.000 1.198 629 D HN 0.345 nan 8.370 nan 0.000 0.455 630 A N 1.676 124.482 122.820 -0.022 0.000 2.320 630 A HA 0.587 4.907 4.320 0.001 0.000 0.287 630 A C 1.065 178.632 177.584 -0.028 0.000 1.181 630 A CA 0.325 52.359 52.037 -0.004 0.000 0.831 630 A CB 0.405 19.413 19.000 0.013 0.000 1.102 630 A HN 0.862 nan 8.150 nan 0.000 0.513 631 G N 2.199 110.987 108.800 -0.019 0.000 2.273 631 G HA2 -0.136 3.824 3.960 0.001 0.000 0.162 631 G HA3 -0.136 3.824 3.960 0.001 0.000 0.162 631 G C 0.245 175.086 174.900 -0.097 0.000 1.006 631 G CA -0.387 44.681 45.100 -0.053 0.000 0.704 631 G HN 0.827 nan 8.290 nan 0.000 0.487 632 R N 0.470 120.929 120.500 -0.067 0.000 2.537 632 R HA 0.459 4.799 4.340 0.001 0.000 0.280 632 R C 0.191 176.493 176.300 0.003 0.000 1.058 632 R CA 0.076 56.136 56.100 -0.066 0.000 1.057 632 R CB 1.173 31.470 30.300 -0.006 0.000 0.973 632 R HN 0.126 nan 8.270 nan 0.000 0.438 633 V N 3.861 123.732 119.914 -0.072 0.000 2.472 633 V HA 0.451 4.571 4.120 0.001 0.000 0.290 633 V C -0.471 175.654 176.094 0.053 0.000 1.037 633 V CA -0.782 61.462 62.300 -0.094 0.000 0.908 633 V CB 0.506 32.306 31.823 -0.039 0.000 0.985 633 V HN 0.773 nan 8.190 nan 0.000 0.454 634 Y N 2.268 122.597 120.300 0.048 0.000 2.818 634 Y HA 0.965 5.515 4.550 0.001 0.000 0.322 634 Y C -0.370 175.502 175.900 -0.047 0.000 1.323 634 Y CA -1.782 56.340 58.100 0.036 0.000 1.090 634 Y CB 1.650 40.161 38.460 0.085 0.000 1.328 634 Y HN 0.740 nan 8.280 nan 0.000 0.482 635 R N -1.560 119.029 120.500 0.149 0.000 2.687 635 R HA 0.436 4.776 4.340 0.001 0.000 0.265 635 R C -3.238 172.942 176.300 -0.200 0.000 1.048 635 R CA -1.678 54.347 56.100 -0.125 0.000 0.884 635 R CB 1.163 31.386 30.300 -0.130 0.000 1.258 635 R HN 0.456 nan 8.270 nan 0.000 0.469 636 P HA -0.309 nan 4.420 nan 0.000 0.253 636 P C 0.021 177.219 177.300 -0.171 0.000 0.872 636 P CA 1.690 64.590 63.100 -0.335 0.000 1.093 636 P CB -0.108 31.389 31.700 -0.339 0.000 0.776 637 L N -5.927 115.252 121.223 -0.074 0.000 2.192 637 L HA 0.603 4.943 4.340 0.001 0.000 0.250 637 L C 0.373 177.158 176.870 -0.142 0.000 1.114 637 L CA -0.933 53.821 54.840 -0.144 0.000 1.065 637 L CB -0.420 41.633 42.059 -0.009 0.000 1.609 637 L HN -0.073 nan 8.230 nan 0.000 0.495 638 F N 0.256 120.198 119.950 -0.014 0.000 2.403 638 F HA 0.522 5.049 4.527 0.001 0.000 0.320 638 F C 0.321 176.059 175.800 -0.104 0.000 1.176 638 F CA -0.075 57.887 58.000 -0.063 0.000 1.206 638 F CB 0.789 39.754 39.000 -0.058 0.000 1.235 638 F HN 0.170 nan 8.300 nan 0.000 0.565 639 I N 1.784 122.411 120.570 0.095 0.000 2.530 639 I HA 0.427 4.597 4.170 0.001 0.000 0.297 639 I C -0.943 175.136 176.117 -0.063 0.000 1.011 639 I CA -0.870 60.372 61.300 -0.097 0.000 1.107 639 I CB 1.936 39.842 38.000 -0.157 0.000 1.285 639 I HN 0.145 nan 8.210 nan 0.000 0.436 640 V N 4.391 124.264 119.914 -0.069 0.000 2.815 640 V HA 0.609 4.730 4.120 0.001 0.000 0.314 640 V C -0.838 175.245 176.094 -0.018 0.000 1.064 640 V CA -0.498 61.785 62.300 -0.029 0.000 0.952 640 V CB 2.214 34.053 31.823 0.028 0.000 1.020 640 V HN 0.735 nan 8.190 nan 0.000 0.439 641 E N 1.153 121.347 120.200 -0.010 0.000 2.506 641 E HA 0.194 4.544 4.350 0.001 0.000 0.308 641 E C -0.340 176.258 176.600 -0.002 0.000 0.931 641 E CA -0.328 56.070 56.400 -0.003 0.000 0.800 641 E CB 1.201 30.887 29.700 -0.025 0.000 1.292 641 E HN 0.787 nan 8.360 nan 0.000 0.401 642 D N 2.500 122.911 120.400 0.019 0.000 2.378 642 D HA -0.097 4.543 4.640 0.001 0.000 0.227 642 D C -0.004 176.298 176.300 0.004 0.000 1.012 642 D CA 0.195 54.207 54.000 0.019 0.000 0.905 642 D CB 0.272 41.098 40.800 0.043 0.000 0.895 642 D HN 0.337 nan 8.370 nan 0.000 0.532 643 D N 0.832 121.231 120.400 -0.003 0.000 2.403 643 D HA -0.077 4.564 4.640 0.001 0.000 0.227 643 D C 0.575 176.866 176.300 -0.016 0.000 0.995 643 D CA 0.513 54.510 54.000 -0.006 0.000 0.928 643 D CB -0.130 40.666 40.800 -0.007 0.000 0.887 643 D HN 0.387 nan 8.370 nan 0.000 0.529 644 E N 0.143 120.324 120.200 -0.032 0.000 2.313 644 E HA 0.093 4.443 4.350 0.001 0.000 0.276 644 E C 0.677 177.253 176.600 -0.040 0.000 1.031 644 E CA -0.034 56.336 56.400 -0.051 0.000 0.857 644 E CB 1.620 31.261 29.700 -0.098 0.000 1.040 644 E HN -0.107 nan 8.360 nan 0.000 0.408 645 S N 3.182 118.864 115.700 -0.031 0.000 2.326 645 S HA 0.077 4.547 4.470 0.001 0.000 0.211 645 S C 1.056 175.651 174.600 -0.009 0.000 1.031 645 S CA 0.480 58.671 58.200 -0.014 0.000 0.985 645 S CB 0.099 63.294 63.200 -0.008 0.000 0.961 645 S HN 0.524 nan 8.310 nan 0.000 0.436 646 L N 1.237 122.452 121.223 -0.014 0.000 2.603 646 L HA 0.487 4.827 4.340 0.001 0.000 0.242 646 L C 0.177 177.037 176.870 -0.016 0.000 1.169 646 L CA -0.141 54.699 54.840 0.001 0.000 1.029 646 L CB 0.858 42.922 42.059 0.007 0.000 1.361 646 L HN 0.534 nan 8.230 nan 0.000 0.439 647 G N 1.028 109.800 108.800 -0.045 0.000 4.665 647 G HA2 0.086 4.046 3.960 0.001 0.000 0.227 647 G HA3 0.086 4.046 3.960 0.001 0.000 0.227 647 G C 0.257 174.850 174.900 -0.511 0.000 2.385 647 G CA -0.040 44.955 45.100 -0.175 0.000 0.869 647 G HN 0.644 nan 8.290 nan 0.000 0.344 648 H N -1.123 117.950 119.070 0.006 0.000 1.452 648 H HA -0.262 4.295 4.556 0.000 0.000 0.090 648 H C -0.254 175.081 175.328 0.010 0.000 1.001 648 H CA 1.149 57.203 56.048 0.010 0.000 1.901 648 H CB -0.838 28.930 29.762 0.010 0.000 2.257 648 H HN 0.512 nan 8.280 nan 0.000 0.961 649 K N 1.921 122.443 120.400 0.204 0.000 2.240 649 K HA 0.371 4.691 4.320 0.001 0.000 0.271 649 K C -0.472 176.158 176.600 0.050 0.000 1.018 649 K CA -0.201 56.151 56.287 0.108 0.000 0.874 649 K CB 1.235 33.836 32.500 0.167 0.000 1.098 649 K HN 0.450 nan 8.250 nan 0.000 0.458 650 E N 3.043 123.199 120.200 -0.072 0.000 2.433 650 E HA 0.376 4.727 4.350 0.001 0.000 0.273 650 E C -1.271 175.279 176.600 -0.084 0.000 0.950 650 E CA -0.744 55.595 56.400 -0.101 0.000 0.796 650 E CB 1.064 30.641 29.700 -0.204 0.000 1.330 650 E HN 0.447 nan 8.360 nan 0.000 0.455 651 L N 1.978 123.135 121.223 -0.110 0.000 2.464 651 L HA 0.267 4.607 4.340 0.001 0.000 0.264 651 L C 1.557 178.354 176.870 -0.123 0.000 1.199 651 L CA 0.206 54.965 54.840 -0.134 0.000 0.818 651 L CB 0.483 42.418 42.059 -0.207 0.000 1.102 651 L HN 0.594 nan 8.230 nan 0.000 0.473 652 K N 0.787 121.113 120.400 -0.123 0.000 2.020 652 K HA 0.065 4.385 4.320 0.001 0.000 0.206 652 K C 0.069 176.560 176.600 -0.181 0.000 1.038 652 K CA 0.462 56.675 56.287 -0.125 0.000 0.947 652 K CB 0.103 32.533 32.500 -0.116 0.000 0.744 652 K HN 0.288 nan 8.250 nan 0.000 0.442 653 V N 4.582 124.360 119.914 -0.225 0.000 2.486 653 V HA -0.101 4.019 4.120 0.001 0.000 0.290 653 V C 0.582 176.613 176.094 -0.105 0.000 0.991 653 V CA 0.537 62.672 62.300 -0.275 0.000 1.142 653 V CB -0.367 31.395 31.823 -0.101 0.000 0.926 653 V HN 0.263 nan 8.190 nan 0.000 0.472 654 R N 4.065 124.620 120.500 0.092 0.000 2.541 654 R HA 0.350 4.690 4.340 0.001 0.000 0.254 654 R C 1.402 177.777 176.300 0.124 0.000 1.130 654 R CA -0.859 55.310 56.100 0.115 0.000 1.152 654 R CB 0.294 30.677 30.300 0.140 0.000 1.222 654 R HN 0.472 nan 8.270 nan 0.000 0.579 655 K N 0.547 120.985 120.400 0.063 0.000 2.097 655 K HA -0.105 4.215 4.320 0.001 0.000 0.206 655 K C 1.849 178.479 176.600 0.050 0.000 1.049 655 K CA 1.715 58.033 56.287 0.051 0.000 0.933 655 K CB -0.469 32.047 32.500 0.027 0.000 0.717 655 K HN 0.731 nan 8.250 nan 0.000 0.442 656 G N 0.464 109.280 108.800 0.025 0.000 2.469 656 G HA2 -0.271 3.690 3.960 0.001 0.000 0.219 656 G HA3 -0.271 3.690 3.960 0.001 0.000 0.219 656 G C 1.244 176.087 174.900 -0.095 0.000 1.150 656 G CA 0.896 45.963 45.100 -0.055 0.000 0.763 656 G HN 0.404 nan 8.290 nan 0.000 0.561 657 H N -0.523 118.536 119.070 -0.018 0.000 2.389 657 H HA -0.009 4.547 4.556 0.000 0.000 0.299 657 H C 2.577 177.934 175.328 0.049 0.000 1.081 657 H CA 1.129 57.182 56.048 0.008 0.000 1.345 657 H CB 0.074 29.893 29.762 0.096 0.000 1.393 657 H HN 0.300 nan 8.280 nan 0.000 0.520 658 I N 1.041 121.722 120.570 0.185 0.000 2.315 658 I HA -0.155 4.015 4.170 0.001 0.000 0.248 658 I C 2.568 178.753 176.117 0.112 0.000 1.117 658 I CA 0.957 62.357 61.300 0.167 0.000 1.404 658 I CB -0.535 37.549 38.000 0.140 0.000 1.071 658 I HN 0.123 nan 8.210 nan 0.000 0.419 659 A N 0.064 122.913 122.820 0.048 0.000 1.851 659 A HA -0.267 4.053 4.320 0.001 0.000 0.216 659 A C 2.311 179.891 177.584 -0.007 0.000 1.195 659 A CA 1.930 53.975 52.037 0.015 0.000 0.622 659 A CB -0.687 18.301 19.000 -0.019 0.000 0.831 659 A HN 0.382 nan 8.150 nan 0.000 0.444 660 K N -0.663 119.669 120.400 -0.112 0.000 2.360 660 K HA -0.010 4.311 4.320 0.001 0.000 0.201 660 K C 1.636 178.226 176.600 -0.015 0.000 1.046 660 K CA 0.873 57.028 56.287 -0.220 0.000 0.940 660 K CB -0.277 31.808 32.500 -0.691 0.000 0.748 660 K HN 0.469 nan 8.250 nan 0.000 0.465 661 L N -0.298 121.000 121.223 0.126 0.000 2.162 661 L HA -0.027 4.314 4.340 0.001 0.000 0.205 661 L C 2.080 179.087 176.870 0.229 0.000 1.086 661 L CA 0.884 55.892 54.840 0.281 0.000 0.778 661 L CB 0.049 42.293 42.059 0.308 0.000 0.928 661 L HN 0.196 nan 8.230 nan 0.000 0.446 662 M N -1.365 118.341 119.600 0.177 0.000 2.435 662 M HA 0.059 4.539 4.480 0.001 0.000 0.265 662 M C 1.879 178.289 176.300 0.184 0.000 1.104 662 M CA 0.732 56.136 55.300 0.175 0.000 1.140 662 M CB -0.141 32.541 32.600 0.138 0.000 1.372 662 M HN 0.163 nan 8.290 nan 0.000 0.456 663 A N -0.062 122.845 122.820 0.145 0.000 2.247 663 A HA 0.012 4.332 4.320 0.001 0.000 0.205 663 A C 1.567 179.247 177.584 0.159 0.000 1.261 663 A CA 1.056 53.185 52.037 0.155 0.000 0.853 663 A CB -0.822 18.228 19.000 0.083 0.000 0.793 663 A HN 0.435 nan 8.150 nan 0.000 0.487 664 T N -1.599 113.062 114.554 0.178 0.000 3.115 664 T HA 0.060 4.410 4.350 0.001 0.000 0.256 664 T C 1.459 176.253 174.700 0.156 0.000 0.970 664 T CA 0.459 62.658 62.100 0.165 0.000 1.010 664 T CB 0.105 69.094 68.868 0.202 0.000 1.151 664 T HN 0.577 nan 8.240 nan 0.000 0.479 665 E N 0.282 120.595 120.200 0.188 0.000 2.371 665 E HA 0.020 4.371 4.350 0.001 0.000 0.194 665 E C 1.305 178.027 176.600 0.203 0.000 1.012 665 E CA 0.573 57.082 56.400 0.182 0.000 0.860 665 E CB 0.116 29.936 29.700 0.200 0.000 0.811 665 E HN 0.517 nan 8.360 nan 0.000 0.502 666 Y N 0.808 121.159 120.300 0.086 0.000 2.522 666 Y HA 0.043 4.593 4.550 0.000 0.000 0.277 666 Y C 2.279 178.217 175.900 0.063 0.000 1.104 666 Y CA 0.497 58.639 58.100 0.070 0.000 1.260 666 Y CB 0.324 38.822 38.460 0.064 0.000 1.151 666 Y HN -0.164 nan 8.280 nan 0.000 0.539 667 Q N 1.349 121.150 119.800 0.002 0.000 2.077 667 Q HA -0.201 4.139 4.340 0.001 0.000 0.206 667 Q C 0.203 176.125 176.000 -0.130 0.000 0.989 667 Q CA 2.152 57.903 55.803 -0.087 0.000 0.853 667 Q CB -0.620 28.140 28.738 0.036 0.000 0.907 667 Q HN 0.757 nan 8.270 nan 0.000 0.418 668 D N -0.805 119.563 120.400 -0.053 0.000 3.038 668 D HA 0.121 4.761 4.640 0.001 0.000 0.243 668 D C 1.071 177.335 176.300 -0.060 0.000 1.245 668 D CA 0.047 54.023 54.000 -0.040 0.000 0.871 668 D CB -0.412 40.391 40.800 0.005 0.000 1.089 668 D HN 0.309 nan 8.370 nan 0.000 0.464 669 I N -1.135 119.344 120.570 -0.152 0.000 3.623 669 I HA 0.089 4.260 4.170 0.001 0.000 0.253 669 I C 1.811 177.848 176.117 -0.135 0.000 1.144 669 I CA -0.039 61.181 61.300 -0.134 0.000 1.461 669 I CB 0.485 38.400 38.000 -0.142 0.000 1.575 669 I HN 0.029 nan 8.210 nan 0.000 0.445 670 E N 1.107 121.169 120.200 -0.231 0.000 2.098 670 E HA 0.107 4.457 4.350 0.001 0.000 0.196 670 E C 1.208 177.758 176.600 -0.083 0.000 0.955 670 E CA 0.710 57.030 56.400 -0.134 0.000 0.936 670 E CB -0.231 29.390 29.700 -0.132 0.000 1.054 670 E HN 0.177 nan 8.360 nan 0.000 0.482 671 G N 0.092 108.835 108.800 -0.095 0.000 3.343 671 G HA2 0.366 4.326 3.960 0.001 0.000 0.264 671 G HA3 0.366 4.326 3.960 0.001 0.000 0.264 671 G C 0.257 175.168 174.900 0.017 0.000 0.884 671 G CA 0.004 45.092 45.100 -0.020 0.000 1.916 671 G HN 0.293 nan 8.290 nan 0.000 0.618 672 G N 0.303 109.124 108.800 0.035 0.000 3.639 672 G HA2 0.185 4.145 3.960 0.001 0.000 0.279 672 G HA3 0.185 4.145 3.960 0.001 0.000 0.279 672 G C 0.081 175.046 174.900 0.108 0.000 1.312 672 G CA -0.595 44.532 45.100 0.045 0.000 1.355 672 G HN 0.475 nan 8.290 nan 0.000 0.595 673 F N 1.544 121.480 119.950 -0.023 0.000 2.954 673 F HA 0.251 4.779 4.527 0.000 0.000 0.300 673 F C 0.612 176.407 175.800 -0.008 0.000 1.206 673 F CA -0.628 57.363 58.000 -0.014 0.000 1.345 673 F CB -0.404 38.588 39.000 -0.013 0.000 1.206 673 F HN 0.388 nan 8.300 nan 0.000 0.537 674 E N 0.863 121.022 120.200 -0.067 0.000 2.291 674 E HA -0.248 4.102 4.350 0.001 0.000 0.181 674 E C -0.967 175.630 176.600 -0.006 0.000 1.480 674 E CA 0.400 56.754 56.400 -0.077 0.000 0.674 674 E CB -0.881 28.716 29.700 -0.171 0.000 1.108 674 E HN 0.470 nan 8.360 nan 0.000 0.357 675 D N 1.286 121.703 120.400 0.029 0.000 3.163 675 D HA 0.192 4.832 4.640 0.001 0.000 0.284 675 D C -0.393 175.928 176.300 0.034 0.000 1.368 675 D CA -0.199 53.827 54.000 0.044 0.000 0.895 675 D CB 0.602 41.437 40.800 0.058 0.000 1.061 675 D HN 0.180 nan 8.370 nan 0.000 0.496 676 V N 1.148 121.076 119.914 0.023 0.000 4.923 676 V HA -0.285 3.835 4.120 0.001 0.000 0.378 676 V C 0.167 176.283 176.094 0.036 0.000 0.678 676 V CA 0.778 63.093 62.300 0.026 0.000 1.503 676 V CB -1.331 30.509 31.823 0.028 0.000 1.812 676 V HN 0.374 nan 8.190 nan 0.000 0.469 677 E N 5.018 125.238 120.200 0.034 0.000 2.166 677 E HA 0.788 5.138 4.350 0.001 0.000 0.275 677 E C 0.135 176.771 176.600 0.061 0.000 0.941 677 E CA -0.593 55.835 56.400 0.046 0.000 0.784 677 E CB 2.412 32.130 29.700 0.032 0.000 1.115 677 E HN 0.778 nan 8.360 nan 0.000 0.399 678 E N 1.980 122.236 120.200 0.093 0.000 2.299 678 E HA 0.062 4.412 4.350 0.001 0.000 0.260 678 E C -1.029 175.690 176.600 0.199 0.000 1.288 678 E CA -0.940 55.530 56.400 0.117 0.000 0.904 678 E CB 0.212 29.979 29.700 0.112 0.000 1.562 678 E HN 0.512 nan 8.360 nan 0.000 0.462 679 Y N -0.262 120.070 120.300 0.054 0.000 2.924 679 Y HA -0.198 4.353 4.550 0.000 0.000 0.085 679 Y C -0.111 175.845 175.900 0.094 0.000 2.077 679 Y CA 1.203 59.343 58.100 0.067 0.000 1.050 679 Y CB -1.093 37.404 38.460 0.062 0.000 1.711 679 Y HN 0.923 nan 8.280 nan 0.000 0.318 680 T N -0.242 114.292 114.554 -0.032 0.000 2.849 680 T HA 0.200 4.551 4.350 0.001 0.000 0.272 680 T C 0.922 175.664 174.700 0.069 0.000 1.046 680 T CA 0.034 62.176 62.100 0.071 0.000 0.983 680 T CB 0.493 69.410 68.868 0.082 0.000 1.721 680 T HN 0.701 nan 8.240 nan 0.000 0.594 681 W N 0.607 121.885 121.300 -0.036 0.000 2.408 681 W HA -0.056 4.605 4.660 0.001 0.000 0.311 681 W C 2.037 178.525 176.519 -0.050 0.000 1.190 681 W CA 1.363 58.700 57.345 -0.014 0.000 1.321 681 W CB -0.847 28.633 29.460 0.033 0.000 1.143 681 W HN 0.582 nan 8.180 nan 0.000 0.501 682 S N 1.103 116.846 115.700 0.071 0.000 2.420 682 S HA -0.240 4.230 4.470 0.001 0.000 0.237 682 S C 2.013 176.472 174.600 -0.235 0.000 1.023 682 S CA 2.008 60.151 58.200 -0.096 0.000 0.991 682 S CB -0.490 62.733 63.200 0.038 0.000 0.792 682 S HN 0.477 nan 8.310 nan 0.000 0.488 683 S N 1.649 117.181 115.700 -0.280 0.000 2.399 683 S HA -0.028 4.442 4.470 0.001 0.000 0.231 683 S C 1.735 176.093 174.600 -0.403 0.000 1.022 683 S CA 0.882 58.842 58.200 -0.400 0.000 0.983 683 S CB -0.602 62.159 63.200 -0.731 0.000 0.803 683 S HN 0.463 nan 8.310 nan 0.000 0.480 684 L N 0.233 121.193 121.223 -0.438 0.000 2.044 684 L HA 0.075 4.415 4.340 0.001 0.000 0.205 684 L C 2.536 179.183 176.870 -0.371 0.000 1.075 684 L CA 0.787 55.409 54.840 -0.364 0.000 0.747 684 L CB -0.688 41.107 42.059 -0.441 0.000 0.903 684 L HN 0.286 nan 8.230 nan 0.000 0.435 685 L N 0.337 121.257 121.223 -0.506 0.000 2.349 685 L HA -0.180 4.160 4.340 0.001 0.000 0.220 685 L C 1.841 178.566 176.870 -0.243 0.000 1.130 685 L CA 1.663 56.275 54.840 -0.380 0.000 0.791 685 L CB -0.665 41.158 42.059 -0.393 0.000 0.918 685 L HN 0.313 nan 8.230 nan 0.000 0.444 686 N N -1.069 117.504 118.700 -0.213 0.000 2.482 686 N HA -0.010 4.730 4.740 0.001 0.000 0.179 686 N C 1.483 176.928 175.510 -0.108 0.000 1.039 686 N CA 0.647 53.609 53.050 -0.147 0.000 0.884 686 N CB -0.075 38.336 38.487 -0.126 0.000 1.113 686 N HN 0.384 nan 8.380 nan 0.000 0.440 687 E N 0.620 120.763 120.200 -0.096 0.000 2.463 687 E HA 0.053 4.403 4.350 0.001 0.000 0.201 687 E C -0.058 176.511 176.600 -0.052 0.000 1.045 687 E CA 0.287 56.667 56.400 -0.033 0.000 0.872 687 E CB -0.094 29.634 29.700 0.048 0.000 0.797 687 E HN 0.374 nan 8.360 nan 0.000 0.538 688 G N 0.840 109.580 108.800 -0.100 0.000 2.738 688 G HA2 -0.220 3.740 3.960 0.001 0.000 0.262 688 G HA3 -0.220 3.740 3.960 0.001 0.000 0.262 688 G C 0.140 174.973 174.900 -0.112 0.000 1.032 688 G CA -0.068 44.969 45.100 -0.105 0.000 1.278 688 G HN 0.254 nan 8.290 nan 0.000 0.537 689 L N -0.380 120.759 121.223 -0.140 0.000 3.617 689 L HA 0.286 4.626 4.340 0.001 0.000 0.336 689 L C 0.380 177.183 176.870 -0.111 0.000 1.141 689 L CA 0.012 54.779 54.840 -0.123 0.000 1.225 689 L CB 0.860 42.828 42.059 -0.151 0.000 1.725 689 L HN 0.324 nan 8.230 nan 0.000 0.621 690 V N -0.156 119.648 119.914 -0.183 0.000 2.789 690 V HA 0.443 4.564 4.120 0.001 0.000 0.311 690 V C -0.866 175.190 176.094 -0.063 0.000 1.073 690 V CA -0.592 61.597 62.300 -0.186 0.000 0.921 690 V CB 2.575 34.159 31.823 -0.399 0.000 1.009 690 V HN 0.046 nan 8.190 nan 0.000 0.426 691 E N 2.002 122.217 120.200 0.025 0.000 2.246 691 E HA 0.404 4.755 4.350 0.001 0.000 0.266 691 E C -1.551 175.189 176.600 0.234 0.000 0.880 691 E CA -0.668 55.801 56.400 0.116 0.000 0.762 691 E CB 2.018 31.756 29.700 0.064 0.000 1.180 691 E HN 0.720 nan 8.360 nan 0.000 0.416 692 Y N 3.833 124.099 120.300 -0.056 0.000 2.644 692 Y HA 0.052 4.602 4.550 0.000 0.000 0.354 692 Y C 0.365 176.240 175.900 -0.041 0.000 1.166 692 Y CA -0.614 57.444 58.100 -0.071 0.000 1.591 692 Y CB 0.132 38.382 38.460 -0.350 0.000 1.346 692 Y HN 0.245 nan 8.280 nan 0.000 0.497 693 I N 4.768 125.436 120.570 0.163 0.000 2.352 693 I HA 0.021 4.192 4.170 0.001 0.000 0.290 693 I C 0.436 176.674 176.117 0.201 0.000 1.036 693 I CA -0.443 60.949 61.300 0.153 0.000 1.336 693 I CB 0.347 38.421 38.000 0.124 0.000 1.407 693 I HN 0.609 nan 8.210 nan 0.000 0.497 694 D N 5.854 126.367 120.400 0.189 0.000 2.506 694 D HA 0.296 4.936 4.640 0.001 0.000 0.272 694 D C 0.758 177.157 176.300 0.165 0.000 1.214 694 D CA -0.446 53.679 54.000 0.208 0.000 1.067 694 D CB 1.536 42.450 40.800 0.190 0.000 1.117 694 D HN 0.413 nan 8.370 nan 0.000 0.578 695 A N -0.157 122.761 122.820 0.163 0.000 1.898 695 A HA -0.164 4.156 4.320 0.001 0.000 0.216 695 A C 2.055 179.779 177.584 0.233 0.000 1.181 695 A CA 1.978 54.140 52.037 0.209 0.000 0.620 695 A CB -0.845 18.304 19.000 0.248 0.000 0.819 695 A HN 0.721 nan 8.150 nan 0.000 0.442 696 E N 0.322 120.628 120.200 0.177 0.000 2.031 696 E HA -0.231 4.119 4.350 0.001 0.000 0.193 696 E C 1.903 178.575 176.600 0.121 0.000 0.994 696 E CA 1.779 58.264 56.400 0.141 0.000 0.800 696 E CB -0.309 29.474 29.700 0.137 0.000 0.752 696 E HN 0.678 nan 8.360 nan 0.000 0.447 697 E N -0.024 120.244 120.200 0.114 0.000 2.409 697 E HA -0.201 4.150 4.350 0.001 0.000 0.198 697 E C 1.550 178.179 176.600 0.047 0.000 1.024 697 E CA 0.685 57.130 56.400 0.075 0.000 0.861 697 E CB -0.064 29.683 29.700 0.078 0.000 0.788 697 E HN 0.367 nan 8.360 nan 0.000 0.521 698 E N 0.126 120.371 120.200 0.075 0.000 2.472 698 E HA -0.142 4.208 4.350 0.001 0.000 0.200 698 E C 1.256 177.874 176.600 0.031 0.000 1.046 698 E CA 0.391 56.818 56.400 0.046 0.000 0.871 698 E CB 0.243 30.003 29.700 0.099 0.000 0.806 698 E HN 0.256 nan 8.360 nan 0.000 0.533 699 E N -0.464 119.770 120.200 0.056 0.000 2.371 699 E HA -0.055 4.295 4.350 0.001 0.000 0.194 699 E C 1.480 178.087 176.600 0.012 0.000 1.012 699 E CA 0.771 57.201 56.400 0.051 0.000 0.860 699 E CB 0.485 30.233 29.700 0.079 0.000 0.811 699 E HN 0.205 nan 8.360 nan 0.000 0.502 700 S N 0.214 115.912 115.700 -0.003 0.000 2.578 700 S HA 0.170 4.640 4.470 0.001 0.000 0.231 700 S C 0.875 175.461 174.600 -0.023 0.000 0.994 700 S CA -0.591 57.604 58.200 -0.008 0.000 0.956 700 S CB -0.016 63.185 63.200 0.002 0.000 0.870 700 S HN 0.178 nan 8.310 nan 0.000 0.494 701 I N -1.235 119.299 120.570 -0.060 0.000 2.910 701 I HA 0.701 4.871 4.170 0.001 0.000 0.310 701 I C -1.409 174.677 176.117 -0.051 0.000 1.043 701 I CA -1.474 59.773 61.300 -0.089 0.000 1.053 701 I CB 1.928 39.724 38.000 -0.339 0.000 1.242 701 I HN 0.092 nan 8.210 nan 0.000 0.452 702 L N 5.528 126.757 121.223 0.011 0.000 2.445 702 L HA 0.518 4.859 4.340 0.001 0.000 0.252 702 L C -0.618 176.398 176.870 0.244 0.000 1.105 702 L CA -0.448 54.418 54.840 0.043 0.000 0.943 702 L CB -0.076 41.939 42.059 -0.072 0.000 1.277 702 L HN 0.472 nan 8.230 nan 0.000 0.465 703 I N 3.585 124.261 120.570 0.177 0.000 2.533 703 I HA 0.280 4.450 4.170 0.001 0.000 0.284 703 I C 1.173 177.458 176.117 0.280 0.000 1.109 703 I CA 0.020 61.450 61.300 0.218 0.000 1.412 703 I CB 0.808 38.870 38.000 0.105 0.000 1.396 703 I HN 0.679 nan 8.210 nan 0.000 0.543 704 A N 5.655 128.536 122.820 0.103 0.000 2.310 704 A HA 0.379 4.699 4.320 0.001 0.000 0.260 704 A C 0.686 178.221 177.584 -0.082 0.000 1.112 704 A CA -0.169 51.713 52.037 -0.259 0.000 0.804 704 A CB 0.631 19.151 19.000 -0.801 0.000 1.081 704 A HN 0.849 nan 8.150 nan 0.000 0.499 705 M N -1.810 117.725 119.600 -0.108 0.000 2.879 705 M HA 0.182 4.662 4.480 0.001 0.000 0.241 705 M C 0.176 176.430 176.300 -0.077 0.000 1.523 705 M CA 1.077 56.344 55.300 -0.054 0.000 1.195 705 M CB 0.518 33.093 32.600 -0.042 0.000 1.277 705 M HN 0.685 nan 8.290 nan 0.000 0.557 706 Q N 0.873 120.618 119.800 -0.092 0.000 2.425 706 Q HA 0.263 4.603 4.340 0.001 0.000 0.254 706 Q C -2.119 173.810 176.000 -0.119 0.000 1.032 706 Q CA -1.886 53.873 55.803 -0.073 0.000 0.798 706 Q CB 1.385 30.105 28.738 -0.030 0.000 1.210 706 Q HN 0.081 nan 8.270 nan 0.000 0.491 707 P HA -0.358 nan 4.420 nan 0.000 0.221 707 P C 0.959 178.165 177.300 -0.157 0.000 1.160 707 P CA 1.954 64.948 63.100 -0.177 0.000 0.933 707 P CB 0.268 31.853 31.700 -0.191 0.000 0.793 708 E N -0.783 119.359 120.200 -0.097 0.000 2.006 708 E HA -0.176 4.175 4.350 0.001 0.000 0.192 708 E C 1.289 177.845 176.600 -0.073 0.000 0.993 708 E CA 1.349 57.708 56.400 -0.068 0.000 0.808 708 E CB -1.185 28.503 29.700 -0.021 0.000 0.764 708 E HN 0.133 nan 8.360 nan 0.000 0.449 709 D N 0.036 120.408 120.400 -0.047 0.000 2.378 709 D HA 0.040 4.681 4.640 0.001 0.000 0.227 709 D C 0.764 177.024 176.300 -0.067 0.000 1.012 709 D CA 0.403 54.390 54.000 -0.021 0.000 0.905 709 D CB 0.256 41.075 40.800 0.031 0.000 0.895 709 D HN 0.138 nan 8.370 nan 0.000 0.532 710 L N 0.774 121.887 121.223 -0.184 0.000 2.965 710 L HA 0.206 4.546 4.340 0.001 0.000 0.254 710 L C 0.146 176.712 176.870 -0.506 0.000 1.220 710 L CA 0.412 55.054 54.840 -0.329 0.000 1.023 710 L CB -0.065 41.797 42.059 -0.328 0.000 1.355 710 L HN 0.125 nan 8.230 nan 0.000 0.545 711 E N -1.128 118.820 120.200 -0.421 0.000 2.847 711 E HA 0.084 4.434 4.350 0.001 0.000 0.233 711 E C -2.479 174.024 176.600 -0.162 0.000 1.052 711 E CA -0.295 55.917 56.400 -0.313 0.000 1.179 711 E CB -0.219 29.384 29.700 -0.162 0.000 1.080 711 E HN 0.093 nan 8.360 nan 0.000 0.401 712 P HA 0.394 nan 4.420 nan 0.000 0.218 712 P C 0.463 177.711 177.300 -0.087 0.000 1.140 712 P CA 1.580 64.638 63.100 -0.070 0.000 0.883 712 P CB 0.804 32.482 31.700 -0.037 0.000 0.828 713 A N -1.717 121.064 122.820 -0.065 0.000 2.341 713 A HA 0.392 4.712 4.320 0.001 0.000 0.285 713 A C -1.566 176.034 177.584 0.027 0.000 1.005 713 A CA -0.613 51.395 52.037 -0.048 0.000 0.546 713 A CB -0.529 18.437 19.000 -0.056 0.000 1.546 713 A HN -0.071 nan 8.150 nan 0.000 0.670 714 E N -1.121 119.086 120.200 0.012 0.000 2.243 714 E HA 0.825 5.175 4.350 0.001 0.000 0.260 714 E C 0.676 177.283 176.600 0.012 0.000 0.985 714 E CA 0.138 56.548 56.400 0.018 0.000 0.858 714 E CB 1.725 31.427 29.700 0.004 0.000 1.210 714 E HN 1.351 nan 8.360 nan 0.000 0.411 715 A N 0.958 123.783 122.820 0.007 0.000 1.749 715 A HA 0.103 4.424 4.320 0.001 0.000 0.187 715 A C 1.078 178.664 177.584 0.004 0.000 1.742 715 A CA 0.226 52.268 52.037 0.009 0.000 1.133 715 A CB -0.233 18.775 19.000 0.015 0.000 0.996 715 A HN 0.433 nan 8.150 nan 0.000 0.585 716 N N -0.786 117.913 118.700 -0.001 0.000 2.436 716 N HA 0.304 5.044 4.740 0.001 0.000 0.178 716 N C 0.607 176.117 175.510 -0.000 0.000 1.026 716 N CA 1.293 54.339 53.050 -0.007 0.000 0.880 716 N CB 0.392 38.861 38.487 -0.030 0.000 1.061 716 N HN 0.676 nan 8.380 nan 0.000 0.434 717 E N -2.083 118.119 120.200 0.004 0.000 3.394 717 E HA -0.218 4.132 4.350 0.001 0.000 0.141 717 E C 0.382 176.990 176.600 0.013 0.000 0.773 717 E CA 0.613 57.020 56.400 0.012 0.000 2.938 717 E CB -0.916 28.794 29.700 0.016 0.000 1.309 717 E HN 0.016 nan 8.360 nan 0.000 0.714 718 E N 1.160 121.365 120.200 0.010 0.000 3.083 718 E HA -0.334 4.016 4.350 0.001 0.000 0.249 718 E C 0.930 177.542 176.600 0.020 0.000 0.926 718 E CA 2.701 59.112 56.400 0.018 0.000 1.459 718 E CB -0.870 28.841 29.700 0.019 0.000 1.494 718 E HN 0.265 nan 8.360 nan 0.000 0.424 719 N N 0.550 119.261 118.700 0.018 0.000 2.299 719 N HA 0.018 4.758 4.740 0.001 0.000 0.187 719 N C -1.001 174.518 175.510 0.015 0.000 1.099 719 N CA 0.511 53.572 53.050 0.017 0.000 0.867 719 N CB 0.146 38.643 38.487 0.015 0.000 0.974 719 N HN 0.171 nan 8.380 nan 0.000 0.477 720 D N 0.944 121.353 120.400 0.014 0.000 2.425 720 D HA 0.068 4.709 4.640 0.001 0.000 0.247 720 D C 0.239 176.548 176.300 0.016 0.000 1.147 720 D CA 0.073 54.081 54.000 0.013 0.000 0.879 720 D CB 0.921 41.728 40.800 0.011 0.000 1.179 720 D HN 0.176 nan 8.370 nan 0.000 0.456 721 L N 2.847 124.079 121.223 0.015 0.000 2.416 721 L HA 0.165 4.506 4.340 0.001 0.000 0.272 721 L C 0.756 177.637 176.870 0.017 0.000 1.161 721 L CA -0.211 54.639 54.840 0.017 0.000 0.845 721 L CB 0.238 42.306 42.059 0.015 0.000 1.119 721 L HN 0.416 nan 8.230 nan 0.000 0.464 722 D N 2.171 122.583 120.400 0.020 0.000 2.531 722 D HA 0.695 5.336 4.640 0.001 0.000 0.244 722 D C -0.477 175.838 176.300 0.025 0.000 1.090 722 D CA -0.550 53.463 54.000 0.022 0.000 0.989 722 D CB 2.069 42.882 40.800 0.021 0.000 1.433 722 D HN 0.273 nan 8.370 nan 0.000 0.492 723 V N -3.108 116.823 119.914 0.028 0.000 3.069 723 V HA 0.575 4.695 4.120 0.001 0.000 0.312 723 V C -0.932 175.183 176.094 0.035 0.000 1.369 723 V CA -1.022 61.297 62.300 0.032 0.000 1.047 723 V CB 1.475 33.318 31.823 0.034 0.000 1.098 723 V HN 0.690 nan 8.190 nan 0.000 0.473 724 D N 0.761 121.185 120.400 0.040 0.000 2.428 724 D HA 0.436 5.077 4.640 0.001 0.000 0.221 724 D C -1.789 174.537 176.300 0.042 0.000 1.123 724 D CA -1.767 52.258 54.000 0.042 0.000 0.869 724 D CB 1.718 42.547 40.800 0.049 0.000 1.032 724 D HN 0.289 nan 8.370 nan 0.000 0.506 725 P HA -0.145 nan 4.420 nan 0.000 0.217 725 P C 0.832 178.156 177.300 0.040 0.000 1.148 725 P CA 1.138 64.260 63.100 0.036 0.000 0.834 725 P CB 0.296 32.015 31.700 0.031 0.000 0.783 726 A N -1.769 121.077 122.820 0.044 0.000 2.208 726 A HA -0.001 4.319 4.320 0.001 0.000 0.209 726 A C 1.115 178.734 177.584 0.059 0.000 1.161 726 A CA 0.473 52.538 52.037 0.047 0.000 0.782 726 A CB -0.540 18.486 19.000 0.045 0.000 0.816 726 A HN 0.147 nan 8.150 nan 0.000 0.477 727 K N 0.817 121.254 120.400 0.062 0.000 2.126 727 K HA 0.282 4.602 4.320 0.001 0.000 0.257 727 K C 0.262 176.906 176.600 0.072 0.000 1.007 727 K CA -0.597 55.735 56.287 0.075 0.000 0.928 727 K CB 0.658 33.203 32.500 0.075 0.000 1.013 727 K HN 0.545 nan 8.250 nan 0.000 0.473 728 R N 0.885 121.435 120.500 0.083 0.000 2.707 728 R HA 0.234 4.574 4.340 0.001 0.000 0.270 728 R C -0.129 176.210 176.300 0.065 0.000 1.083 728 R CA -0.565 55.578 56.100 0.072 0.000 1.182 728 R CB 0.160 30.505 30.300 0.075 0.000 1.084 728 R HN 0.273 nan 8.270 nan 0.000 0.528 729 I N 1.561 122.164 120.570 0.056 0.000 2.315 729 I HA 0.290 4.461 4.170 0.001 0.000 0.291 729 I C 0.411 176.562 176.117 0.058 0.000 1.006 729 I CA -0.642 60.690 61.300 0.052 0.000 1.265 729 I CB 0.999 39.024 38.000 0.042 0.000 1.387 729 I HN 0.619 nan 8.210 nan 0.000 0.475 730 R N 4.107 124.645 120.500 0.062 0.000 2.474 730 R HA 0.429 4.769 4.340 0.001 0.000 0.295 730 R C 1.069 177.410 176.300 0.067 0.000 0.980 730 R CA -0.547 55.593 56.100 0.066 0.000 0.934 730 R CB 1.748 32.092 30.300 0.073 0.000 1.101 730 R HN 0.439 nan 8.270 nan 0.000 0.469 731 V N 1.722 121.676 119.914 0.066 0.000 2.242 731 V HA -0.363 3.757 4.120 0.001 0.000 0.257 731 V C 0.296 176.468 176.094 0.129 0.000 1.073 731 V CA 2.140 64.488 62.300 0.080 0.000 1.058 731 V CB -0.863 31.003 31.823 0.072 0.000 0.664 731 V HN 1.021 nan 8.190 nan 0.000 0.451 732 S N -2.450 113.316 115.700 0.110 0.000 2.922 732 S HA -0.088 4.383 4.470 0.001 0.000 0.854 732 S C -0.413 174.228 174.600 0.068 0.000 0.921 732 S CA -0.088 58.135 58.200 0.039 0.000 1.418 732 S CB -0.614 62.557 63.200 -0.048 0.000 1.015 732 S HN 1.219 nan 8.310 nan 0.000 0.230 733 H N 1.618 120.694 119.070 0.009 0.000 2.899 733 H HA 0.594 5.150 4.556 0.000 0.000 0.303 733 H C 0.798 176.071 175.328 -0.092 0.000 1.042 733 H CA 0.069 56.165 56.048 0.080 0.000 1.479 733 H CB 0.334 30.180 29.762 0.139 0.000 1.493 733 H HN 0.653 nan 8.280 nan 0.000 0.534 734 H N 2.415 121.521 119.070 0.060 0.000 3.205 734 H HA 0.325 4.881 4.556 0.000 0.000 0.252 734 H C 0.216 175.547 175.328 0.005 0.000 1.015 734 H CA 0.387 56.425 56.048 -0.016 0.000 1.192 734 H CB 0.875 30.612 29.762 -0.042 0.000 1.474 734 H HN 0.759 nan 8.280 nan 0.000 0.484 735 A N 1.538 124.407 122.820 0.082 0.000 2.274 735 A HA 0.474 4.795 4.320 0.001 0.000 0.309 735 A C -0.123 177.340 177.584 -0.202 0.000 1.226 735 A CA -0.154 51.828 52.037 -0.091 0.000 0.853 735 A CB 0.321 19.202 19.000 -0.199 0.000 1.146 735 A HN 0.133 nan 8.150 nan 0.000 0.518 736 T N 2.344 116.817 114.554 -0.136 0.000 3.226 736 T HA 0.481 4.831 4.350 0.001 0.000 0.378 736 T C -0.256 174.387 174.700 -0.095 0.000 1.380 736 T CA 0.102 62.152 62.100 -0.083 0.000 1.396 736 T CB 0.013 68.957 68.868 0.127 0.000 1.044 736 T HN 0.934 nan 8.240 nan 0.000 0.586 737 T N -0.593 113.814 114.554 -0.246 0.000 4.099 737 T HA 0.393 4.743 4.350 0.001 0.000 0.216 737 T C -0.184 174.430 174.700 -0.144 0.000 0.945 737 T CA -0.584 61.452 62.100 -0.107 0.000 1.581 737 T CB -0.941 67.870 68.868 -0.094 0.000 0.752 737 T HN 0.212 nan 8.240 nan 0.000 0.623 738 F N 1.958 121.934 119.950 0.043 0.000 2.399 738 F HA 0.531 5.058 4.527 0.001 0.000 0.313 738 F C 2.121 177.967 175.800 0.077 0.000 1.202 738 F CA 0.586 58.619 58.000 0.055 0.000 1.192 738 F CB 1.191 40.217 39.000 0.043 0.000 1.256 738 F HN 0.493 nan 8.300 nan 0.000 0.558 739 T N -4.192 110.584 114.554 0.370 0.000 3.254 739 T HA 0.249 4.599 4.350 0.001 0.000 0.267 739 T C 0.088 174.968 174.700 0.301 0.000 0.946 739 T CA 0.058 62.351 62.100 0.322 0.000 0.991 739 T CB -0.104 69.012 68.868 0.414 0.000 1.205 739 T HN 0.453 nan 8.240 nan 0.000 0.494 740 H N -0.046 119.108 119.070 0.140 0.000 3.513 740 H HA 0.869 5.425 4.556 0.000 0.000 0.278 740 H C -0.679 174.702 175.328 0.088 0.000 1.683 740 H CA -1.392 54.721 56.048 0.110 0.000 1.552 740 H CB 1.114 30.938 29.762 0.104 0.000 1.474 740 H HN 0.475 nan 8.280 nan 0.000 0.870 741 C N 0.362 119.812 119.300 0.249 0.000 3.274 741 C HA 0.238 4.699 4.460 0.001 0.000 0.415 741 C C -0.774 174.352 174.990 0.226 0.000 1.009 741 C CA -0.615 58.484 59.018 0.136 0.000 1.163 741 C CB 0.334 28.079 27.740 0.007 0.000 1.549 741 C HN 0.887 nan 8.230 nan 0.000 0.599 742 E N 3.039 123.335 120.200 0.160 0.000 2.404 742 E HA 0.263 4.613 4.350 0.001 0.000 0.261 742 E C 1.115 177.846 176.600 0.218 0.000 1.074 742 E CA -0.130 56.361 56.400 0.152 0.000 0.917 742 E CB 0.484 30.258 29.700 0.123 0.000 0.965 742 E HN 0.497 nan 8.360 nan 0.000 0.433 743 I N 1.692 122.310 120.570 0.080 0.000 2.090 743 I HA -0.136 4.034 4.170 0.001 0.000 0.236 743 I C 0.620 176.807 176.117 0.116 0.000 1.064 743 I CA 1.618 62.943 61.300 0.043 0.000 1.324 743 I CB -0.818 37.035 38.000 -0.245 0.000 1.044 743 I HN 0.616 nan 8.210 nan 0.000 0.399 744 H N -1.131 117.843 119.070 -0.159 0.000 3.151 744 H HA 0.221 4.777 4.556 0.000 0.000 0.333 744 H C -2.291 172.936 175.328 -0.168 0.000 1.093 744 H CA -0.832 55.091 56.048 -0.208 0.000 1.342 744 H CB 1.747 31.209 29.762 -0.500 0.000 1.983 744 H HN -0.253 nan 8.280 nan 0.000 0.503 745 P HA -0.143 nan 4.420 nan 0.000 0.220 745 P C 1.300 178.454 177.300 -0.244 0.000 1.148 745 P CA 1.770 64.596 63.100 -0.457 0.000 0.803 745 P CB 0.164 31.396 31.700 -0.780 0.000 0.782 746 S N -1.254 114.502 115.700 0.094 0.000 2.462 746 S HA -0.169 4.302 4.470 0.001 0.000 0.243 746 S C 1.650 176.377 174.600 0.212 0.000 1.003 746 S CA 1.125 59.588 58.200 0.439 0.000 0.970 746 S CB -1.158 62.463 63.200 0.702 0.000 0.762 746 S HN 0.001 nan 8.310 nan 0.000 0.510 747 M N 1.847 121.479 119.600 0.053 0.000 2.659 747 M HA 0.262 4.743 4.480 0.001 0.000 0.243 747 M C 1.760 177.960 176.300 -0.166 0.000 1.111 747 M CA 0.251 55.533 55.300 -0.031 0.000 1.070 747 M CB -1.255 31.285 32.600 -0.100 0.000 1.525 747 M HN 0.611 nan 8.290 nan 0.000 0.517 748 I N -2.645 117.764 120.570 -0.269 0.000 3.001 748 I HA -0.012 4.158 4.170 0.001 0.000 0.268 748 I C 0.791 176.782 176.117 -0.209 0.000 1.267 748 I CA 0.259 61.309 61.300 -0.416 0.000 1.472 748 I CB -0.271 37.331 38.000 -0.664 0.000 1.089 748 I HN 0.021 nan 8.210 nan 0.000 0.468 749 L N 1.432 122.608 121.223 -0.079 0.000 2.454 749 L HA 0.559 4.899 4.340 0.001 0.000 0.256 749 L C 0.911 177.768 176.870 -0.022 0.000 1.136 749 L CA -0.326 54.497 54.840 -0.028 0.000 0.804 749 L CB 1.067 43.146 42.059 0.033 0.000 1.181 749 L HN 0.134 nan 8.230 nan 0.000 0.469 750 G N -0.542 108.243 108.800 -0.024 0.000 2.531 750 G HA2 0.352 4.312 3.960 0.001 0.000 0.313 750 G HA3 0.352 4.312 3.960 0.001 0.000 0.313 750 G C 0.640 175.540 174.900 -0.001 0.000 1.238 750 G CA -0.466 44.623 45.100 -0.018 0.000 0.994 750 G HN 0.432 nan 8.290 nan 0.000 0.493 751 V N 0.428 120.343 119.914 0.002 0.000 2.332 751 V HA -0.114 4.006 4.120 0.001 0.000 0.248 751 V C 2.878 178.962 176.094 -0.016 0.000 1.055 751 V CA 3.129 65.429 62.300 0.001 0.000 1.038 751 V CB -0.543 31.277 31.823 -0.005 0.000 0.651 751 V HN 0.814 nan 8.190 nan 0.000 0.450 752 A N -0.954 121.853 122.820 -0.021 0.000 2.021 752 A HA 0.251 4.571 4.320 0.001 0.000 0.216 752 A C 2.300 179.854 177.584 -0.049 0.000 1.163 752 A CA 1.455 53.477 52.037 -0.024 0.000 0.676 752 A CB -0.579 18.413 19.000 -0.012 0.000 0.818 752 A HN 0.722 nan 8.150 nan 0.000 0.453 753 A N -0.226 122.567 122.820 -0.044 0.000 1.897 753 A HA 0.010 4.330 4.320 0.001 0.000 0.215 753 A C 2.154 179.700 177.584 -0.064 0.000 1.181 753 A CA 1.637 53.646 52.037 -0.047 0.000 0.620 753 A CB -0.691 18.289 19.000 -0.033 0.000 0.821 753 A HN 0.417 nan 8.150 nan 0.000 0.443 754 S N 0.323 115.990 115.700 -0.055 0.000 2.595 754 S HA 0.019 4.489 4.470 0.001 0.000 0.235 754 S C 1.284 175.787 174.600 -0.161 0.000 0.974 754 S CA 0.356 58.518 58.200 -0.063 0.000 0.942 754 S CB -0.229 62.968 63.200 -0.005 0.000 0.766 754 S HN 0.419 nan 8.310 nan 0.000 0.536 755 I N 1.258 121.701 120.570 -0.212 0.000 2.876 755 I HA 0.160 4.330 4.170 0.001 0.000 0.264 755 I C 0.788 176.707 176.117 -0.331 0.000 1.204 755 I CA 0.155 61.231 61.300 -0.373 0.000 1.485 755 I CB -0.688 37.092 38.000 -0.367 0.000 1.103 755 I HN 0.259 nan 8.210 nan 0.000 0.446 756 I N 3.705 124.144 120.570 -0.219 0.000 2.471 756 I HA 0.069 4.239 4.170 0.001 0.000 0.286 756 I C -2.077 173.948 176.117 -0.152 0.000 1.079 756 I CA -1.397 59.793 61.300 -0.183 0.000 1.398 756 I CB 0.538 38.480 38.000 -0.096 0.000 1.403 756 I HN -0.103 nan 8.210 nan 0.000 0.530 757 P HA 0.226 nan 4.420 nan 0.000 0.286 757 P C -0.668 176.731 177.300 0.166 0.000 1.269 757 P CA -0.404 62.638 63.100 -0.097 0.000 0.787 757 P CB 0.238 31.969 31.700 0.052 0.000 0.920 758 F N 2.108 122.069 119.950 0.018 0.000 2.773 758 F HA -0.159 4.368 4.527 0.000 0.000 0.251 758 F C -1.463 174.390 175.800 0.089 0.000 1.020 758 F CA -0.278 57.764 58.000 0.071 0.000 0.924 758 F CB -2.012 37.015 39.000 0.046 0.000 0.919 758 F HN 0.359 nan 8.300 nan 0.000 0.846 759 P HA -0.101 nan 4.420 nan 0.000 0.229 759 P C 1.032 178.358 177.300 0.043 0.000 1.160 759 P CA 1.482 64.630 63.100 0.080 0.000 0.777 759 P CB 0.079 31.776 31.700 -0.006 0.000 0.814 760 D N -2.416 117.954 120.400 -0.049 0.000 2.323 760 D HA -0.104 4.537 4.640 0.001 0.000 0.239 760 D C 0.856 177.024 176.300 -0.220 0.000 1.129 760 D CA 0.425 54.327 54.000 -0.163 0.000 0.865 760 D CB -1.150 39.405 40.800 -0.408 0.000 0.913 760 D HN 0.315 nan 8.370 nan 0.000 0.517 761 H N -0.681 118.410 119.070 0.035 0.000 3.058 761 H HA 0.275 4.832 4.556 0.001 0.000 0.266 761 H C -0.244 175.092 175.328 0.013 0.000 1.135 761 H CA -0.441 55.618 56.048 0.018 0.000 1.174 761 H CB 0.627 30.383 29.762 -0.010 0.000 1.581 761 H HN 0.158 nan 8.280 nan 0.000 0.553 762 N N 1.450 120.227 118.700 0.129 0.000 2.456 762 N HA 0.070 4.810 4.740 0.001 0.000 0.296 762 N C -0.200 175.356 175.510 0.077 0.000 1.102 762 N CA -0.396 52.717 53.050 0.105 0.000 0.924 762 N CB 2.075 40.653 38.487 0.151 0.000 1.186 762 N HN 0.100 nan 8.380 nan 0.000 0.492 763 Q N 1.198 121.041 119.800 0.071 0.000 2.311 763 Q HA -0.005 4.335 4.340 0.001 0.000 0.272 763 Q C 0.668 176.718 176.000 0.083 0.000 1.012 763 Q CA 0.228 56.071 55.803 0.066 0.000 0.891 763 Q CB 1.094 29.869 28.738 0.061 0.000 1.201 763 Q HN 0.662 nan 8.270 nan 0.000 0.391 764 S N 4.534 120.274 115.700 0.067 0.000 2.359 764 S HA -0.094 4.376 4.470 0.001 0.000 0.224 764 S C -1.069 173.568 174.600 0.062 0.000 1.035 764 S CA 1.482 59.717 58.200 0.059 0.000 1.018 764 S CB -0.583 62.642 63.200 0.041 0.000 0.876 764 S HN 0.641 nan 8.310 nan 0.000 0.448 765 P HA -0.081 nan 4.420 nan 0.000 0.218 765 P C 1.391 178.801 177.300 0.184 0.000 1.146 765 P CA 0.895 64.038 63.100 0.071 0.000 0.813 765 P CB -0.053 31.747 31.700 0.166 0.000 0.778 766 R N -0.301 120.367 120.500 0.279 0.000 2.080 766 R HA -0.100 4.240 4.340 0.001 0.000 0.236 766 R C 1.835 178.288 176.300 0.254 0.000 1.137 766 R CA 1.389 57.703 56.100 0.357 0.000 0.943 766 R CB -1.769 28.662 30.300 0.217 0.000 0.846 766 R HN 0.239 nan 8.270 nan 0.000 0.431 767 N N -0.115 118.669 118.700 0.140 0.000 2.272 767 N HA -0.106 4.634 4.740 0.001 0.000 0.185 767 N C 1.481 177.005 175.510 0.022 0.000 1.014 767 N CA 1.598 54.694 53.050 0.077 0.000 0.870 767 N CB -0.323 38.196 38.487 0.052 0.000 0.975 767 N HN 0.248 nan 8.380 nan 0.000 0.433 768 T N -0.461 114.072 114.554 -0.035 0.000 2.896 768 T HA -0.027 4.323 4.350 0.001 0.000 0.263 768 T C 1.417 176.012 174.700 -0.175 0.000 1.050 768 T CA 0.774 62.782 62.100 -0.154 0.000 1.140 768 T CB -0.358 68.344 68.868 -0.277 0.000 0.877 768 T HN 0.258 nan 8.240 nan 0.000 0.457 769 Y N 1.681 121.985 120.300 0.006 0.000 2.049 769 Y HA -0.206 4.345 4.550 0.000 0.000 0.277 769 Y C 2.975 178.877 175.900 0.004 0.000 1.143 769 Y CA 1.287 59.392 58.100 0.008 0.000 1.115 769 Y CB -0.533 37.938 38.460 0.019 0.000 0.975 769 Y HN 0.082 nan 8.280 nan 0.000 0.487 770 Q N 0.502 120.400 119.800 0.163 0.000 2.248 770 Q HA -0.170 4.171 4.340 0.001 0.000 0.208 770 Q C 2.077 178.095 176.000 0.029 0.000 0.984 770 Q CA 2.003 57.845 55.803 0.065 0.000 0.875 770 Q CB -0.551 28.188 28.738 0.001 0.000 0.910 770 Q HN 0.351 nan 8.270 nan 0.000 0.433 771 S N -0.422 115.285 115.700 0.012 0.000 2.368 771 S HA -0.049 4.421 4.470 0.001 0.000 0.224 771 S C 1.802 176.405 174.600 0.004 0.000 1.029 771 S CA 0.993 59.187 58.200 -0.010 0.000 0.988 771 S CB -0.462 62.715 63.200 -0.038 0.000 0.838 771 S HN 0.631 nan 8.310 nan 0.000 0.462 772 A N 0.877 123.703 122.820 0.010 0.000 1.969 772 A HA 0.032 4.352 4.320 0.001 0.000 0.218 772 A C 2.075 179.691 177.584 0.052 0.000 1.169 772 A CA 1.199 53.250 52.037 0.022 0.000 0.635 772 A CB -0.445 18.567 19.000 0.019 0.000 0.810 772 A HN 0.484 nan 8.150 nan 0.000 0.445 773 M N -1.029 118.614 119.600 0.071 0.000 2.287 773 M HA 0.030 4.511 4.480 0.001 0.000 0.266 773 M C 2.258 178.609 176.300 0.084 0.000 1.079 773 M CA 0.933 56.282 55.300 0.081 0.000 1.146 773 M CB -0.335 32.316 32.600 0.084 0.000 1.374 773 M HN 0.479 nan 8.290 nan 0.000 0.435 774 G N 1.375 110.220 108.800 0.074 0.000 2.485 774 G HA2 -0.227 3.733 3.960 0.001 0.000 0.221 774 G HA3 -0.227 3.733 3.960 0.001 0.000 0.221 774 G C 1.447 176.423 174.900 0.126 0.000 1.115 774 G CA 0.887 46.046 45.100 0.100 0.000 0.751 774 G HN 0.457 nan 8.290 nan 0.000 0.567 775 K N -0.254 120.205 120.400 0.099 0.000 2.487 775 K HA 0.100 4.421 4.320 0.001 0.000 0.192 775 K C 1.402 178.084 176.600 0.136 0.000 1.027 775 K CA 0.433 56.784 56.287 0.107 0.000 1.054 775 K CB 0.326 32.864 32.500 0.063 0.000 0.824 775 K HN 0.379 nan 8.250 nan 0.000 0.510 776 Q N -0.272 119.612 119.800 0.140 0.000 2.127 776 Q HA 0.253 4.593 4.340 0.001 0.000 0.222 776 Q C 0.127 176.283 176.000 0.261 0.000 0.794 776 Q CA -0.381 55.489 55.803 0.113 0.000 1.010 776 Q CB 1.262 29.996 28.738 -0.006 0.000 1.170 776 Q HN 0.184 nan 8.270 nan 0.000 0.479 777 A N 1.217 124.166 122.820 0.216 0.000 2.251 777 A HA 0.542 4.862 4.320 0.001 0.000 0.277 777 A C -0.106 177.517 177.584 0.065 0.000 1.313 777 A CA 0.150 52.266 52.037 0.131 0.000 0.813 777 A CB 0.403 19.479 19.000 0.126 0.000 1.210 777 A HN 0.334 nan 8.150 nan 0.000 0.509 778 M N -1.711 117.860 119.600 -0.049 0.000 2.322 778 M HA 0.536 5.016 4.480 0.001 0.000 0.285 778 M C -0.215 176.004 176.300 -0.136 0.000 1.119 778 M CA 0.382 55.555 55.300 -0.213 0.000 0.953 778 M CB 1.995 34.502 32.600 -0.156 0.000 1.701 778 M HN 1.193 nan 8.290 nan 0.000 0.479 779 G N 1.890 110.575 108.800 -0.192 0.000 2.565 779 G HA2 0.358 4.318 3.960 0.001 0.000 0.142 779 G HA3 0.358 4.318 3.960 0.001 0.000 0.142 779 G C -1.687 173.136 174.900 -0.128 0.000 1.181 779 G CA -0.542 44.483 45.100 -0.126 0.000 1.066 779 G HN 0.506 nan 8.290 nan 0.000 0.530 780 V N 2.415 122.248 119.914 -0.135 0.000 2.439 780 V HA 0.347 4.467 4.120 0.001 0.000 0.271 780 V C 0.924 176.971 176.094 -0.080 0.000 1.040 780 V CA 0.558 62.775 62.300 -0.138 0.000 1.002 780 V CB 0.175 31.875 31.823 -0.204 0.000 1.000 780 V HN 0.674 nan 8.190 nan 0.000 0.477 781 F N 4.309 124.159 119.950 -0.166 0.000 2.717 781 F HA 0.671 5.198 4.527 0.000 0.000 0.295 781 F C 0.124 175.917 175.800 -0.011 0.000 1.117 781 F CA -0.159 57.790 58.000 -0.085 0.000 1.361 781 F CB 0.357 39.288 39.000 -0.116 0.000 1.112 781 F HN 0.276 nan 8.300 nan 0.000 0.594 782 L N 0.232 121.037 121.223 -0.696 0.000 2.700 782 L HA 0.137 4.478 4.340 0.001 0.000 0.255 782 L C 0.494 177.150 176.870 -0.357 0.000 0.933 782 L CA -0.432 54.122 54.840 -0.476 0.000 0.920 782 L CB 2.141 43.887 42.059 -0.521 0.000 1.472 782 L HN -0.107 nan 8.230 nan 0.000 0.426 783 T N -1.459 113.005 114.554 -0.150 0.000 3.035 783 T HA -0.064 4.287 4.350 0.001 0.000 0.268 783 T C 1.127 175.727 174.700 -0.167 0.000 1.109 783 T CA 1.228 63.284 62.100 -0.073 0.000 1.119 783 T CB -0.419 68.512 68.868 0.105 0.000 0.900 783 T HN 0.630 nan 8.240 nan 0.000 0.503 784 N N 1.420 119.998 118.700 -0.203 0.000 2.322 784 N HA -0.029 4.711 4.740 0.001 0.000 0.216 784 N C 1.154 176.478 175.510 -0.310 0.000 1.144 784 N CA -0.376 52.536 53.050 -0.229 0.000 0.830 784 N CB -0.842 37.560 38.487 -0.141 0.000 1.034 784 N HN 0.608 nan 8.380 nan 0.000 0.484 785 Y N -0.489 119.598 120.300 -0.356 0.000 2.483 785 Y HA 0.035 4.585 4.550 -0.000 0.000 0.291 785 Y C 1.402 177.138 175.900 -0.274 0.000 1.143 785 Y CA 0.758 58.637 58.100 -0.367 0.000 1.289 785 Y CB -0.904 37.300 38.460 -0.427 0.000 0.983 785 Y HN 0.033 nan 8.280 nan 0.000 0.556 786 N N 0.164 118.413 118.700 -0.752 0.000 2.461 786 N HA -0.001 4.739 4.740 0.001 0.000 0.188 786 N C 0.613 176.009 175.510 -0.190 0.000 1.134 786 N CA 0.832 53.614 53.050 -0.448 0.000 0.878 786 N CB 0.136 38.312 38.487 -0.517 0.000 0.972 786 N HN 0.353 nan 8.380 nan 0.000 0.456 787 V N -1.389 118.430 119.914 -0.160 0.000 3.562 787 V HA 0.297 4.418 4.120 0.001 0.000 0.270 787 V C 0.795 176.870 176.094 -0.032 0.000 1.418 787 V CA -0.065 62.185 62.300 -0.083 0.000 1.033 787 V CB 0.207 31.976 31.823 -0.090 0.000 0.820 787 V HN 0.027 nan 8.190 nan 0.000 0.441 788 R N 0.392 120.880 120.500 -0.020 0.000 2.546 788 R HA 0.579 4.919 4.340 0.001 0.000 0.266 788 R C -0.177 176.154 176.300 0.052 0.000 1.086 788 R CA -0.186 55.932 56.100 0.030 0.000 1.160 788 R CB 0.490 30.825 30.300 0.059 0.000 1.138 788 R HN 0.046 nan 8.270 nan 0.000 0.567 789 M N 2.687 122.327 119.600 0.066 0.000 2.693 789 M HA 0.174 4.654 4.480 0.001 0.000 0.224 789 M C -1.624 174.716 176.300 0.066 0.000 1.149 789 M CA -0.893 54.449 55.300 0.070 0.000 0.622 789 M CB 0.629 33.270 32.600 0.069 0.000 1.443 789 M HN 0.599 nan 8.290 nan 0.000 0.431 790 D N 0.142 120.574 120.400 0.052 0.000 2.163 790 D HA 0.312 4.953 4.640 0.001 0.000 0.248 790 D C -0.100 176.186 176.300 -0.023 0.000 1.035 790 D CA -0.426 53.584 54.000 0.016 0.000 0.872 790 D CB 0.719 41.527 40.800 0.013 0.000 1.183 790 D HN 0.075 nan 8.370 nan 0.000 0.445 791 T N 2.421 116.948 114.554 -0.045 0.000 2.800 791 T HA 0.223 4.573 4.350 0.001 0.000 0.266 791 T C 0.554 175.174 174.700 -0.134 0.000 0.939 791 T CA -0.021 62.029 62.100 -0.083 0.000 1.199 791 T CB -0.921 67.894 68.868 -0.089 0.000 0.899 791 T HN 0.457 nan 8.240 nan 0.000 0.555 792 M N 1.730 121.228 119.600 -0.169 0.000 4.047 792 M HA -0.040 4.440 4.480 0.001 0.000 0.157 792 M C -0.945 175.148 176.300 -0.345 0.000 1.532 792 M CA 0.048 55.161 55.300 -0.312 0.000 1.097 792 M CB -0.875 31.578 32.600 -0.245 0.000 1.346 792 M HN 0.818 nan 8.290 nan 0.000 0.190 793 A N 5.241 127.801 122.820 -0.433 0.000 2.555 793 A HA 0.731 5.051 4.320 0.001 0.000 0.297 793 A C -1.377 175.999 177.584 -0.346 0.000 1.060 793 A CA -0.776 50.985 52.037 -0.460 0.000 0.710 793 A CB 1.558 20.222 19.000 -0.559 0.000 1.282 793 A HN 0.812 nan 8.150 nan 0.000 0.399 794 N N 0.688 119.179 118.700 -0.348 0.000 2.362 794 N HA 0.705 5.446 4.740 0.001 0.000 0.298 794 N C -1.500 173.882 175.510 -0.213 0.000 1.048 794 N CA -0.475 52.469 53.050 -0.177 0.000 0.858 794 N CB 1.898 40.321 38.487 -0.106 0.000 1.218 794 N HN 0.468 nan 8.380 nan 0.000 0.488 795 I N 1.735 122.246 120.570 -0.098 0.000 2.647 795 I HA 0.263 4.433 4.170 0.001 0.000 0.295 795 I C -0.823 175.285 176.117 -0.015 0.000 1.078 795 I CA -0.555 60.650 61.300 -0.159 0.000 1.048 795 I CB 2.111 39.868 38.000 -0.404 0.000 1.239 795 I HN 0.366 nan 8.210 nan 0.000 0.421 796 L N 5.761 126.972 121.223 -0.021 0.000 2.281 796 L HA 0.266 4.606 4.340 0.001 0.000 0.285 796 L C 0.563 177.501 176.870 0.113 0.000 1.074 796 L CA 0.268 55.153 54.840 0.075 0.000 0.817 796 L CB 0.257 42.350 42.059 0.057 0.000 1.168 796 L HN 0.485 nan 8.230 nan 0.000 0.434 797 Y N 4.510 124.778 120.300 -0.054 0.000 2.139 797 Y HA -0.228 4.322 4.550 -0.000 0.000 0.282 797 Y C 0.256 175.854 175.900 -0.502 0.000 1.179 797 Y CA 1.501 59.453 58.100 -0.245 0.000 1.161 797 Y CB -0.336 38.090 38.460 -0.056 0.000 0.970 797 Y HN 0.511 nan 8.280 nan 0.000 0.511 798 Y N -1.033 119.357 120.300 0.149 0.000 2.544 798 Y HA 0.352 4.902 4.550 -0.000 0.000 0.347 798 Y C -2.459 173.448 175.900 0.012 0.000 1.089 798 Y CA -2.927 55.205 58.100 0.053 0.000 1.230 798 Y CB 0.608 39.091 38.460 0.037 0.000 1.101 798 Y HN -0.124 nan 8.280 nan 0.000 0.641 799 P HA 0.182 nan 4.420 nan 0.000 0.272 799 P C -0.715 176.631 177.300 0.077 0.000 1.223 799 P CA -0.054 63.083 63.100 0.062 0.000 0.784 799 P CB 0.803 32.495 31.700 -0.013 0.000 0.923 800 Q N 0.453 120.325 119.800 0.119 0.000 2.295 800 Q HA 0.204 4.544 4.340 0.001 0.000 0.268 800 Q C -0.746 175.388 176.000 0.222 0.000 1.010 800 Q CA -1.036 54.856 55.803 0.148 0.000 0.856 800 Q CB 2.349 31.179 28.738 0.154 0.000 1.349 800 Q HN 0.390 nan 8.270 nan 0.000 0.412 801 K N 1.477 121.935 120.400 0.096 0.000 2.416 801 K HA 0.302 4.623 4.320 0.001 0.000 0.283 801 K C -2.407 174.202 176.600 0.014 0.000 1.037 801 K CA -1.354 54.957 56.287 0.040 0.000 0.995 801 K CB -0.151 32.347 32.500 -0.004 0.000 0.938 801 K HN 0.081 nan 8.250 nan 0.000 0.475 802 P HA -0.109 nan 4.420 nan 0.000 0.267 802 P C 0.355 177.584 177.300 -0.119 0.000 1.201 802 P CA 0.036 62.928 63.100 -0.346 0.000 0.775 802 P CB 0.508 31.760 31.700 -0.748 0.000 0.854 803 L N 0.107 121.308 121.223 -0.036 0.000 2.395 803 L HA 0.114 4.455 4.340 0.001 0.000 0.218 803 L C 1.303 178.137 176.870 -0.059 0.000 1.130 803 L CA 0.834 55.654 54.840 -0.033 0.000 0.826 803 L CB -0.374 41.681 42.059 -0.007 0.000 0.941 803 L HN 0.473 nan 8.230 nan 0.000 0.451 804 G N -0.392 108.357 108.800 -0.085 0.000 2.626 804 G HA2 0.533 4.493 3.960 0.001 0.000 0.304 804 G HA3 0.533 4.493 3.960 0.001 0.000 0.304 804 G C -0.678 174.106 174.900 -0.193 0.000 1.385 804 G CA -0.122 44.921 45.100 -0.095 0.000 0.957 804 G HN -0.006 nan 8.290 nan 0.000 0.504 805 T N -1.306 113.114 114.554 -0.223 0.000 2.901 805 T HA 0.744 5.094 4.350 0.001 0.000 0.293 805 T C -0.066 174.449 174.700 -0.309 0.000 1.084 805 T CA -0.726 61.209 62.100 -0.275 0.000 1.008 805 T CB 1.935 70.660 68.868 -0.238 0.000 1.170 805 T HN 0.338 nan 8.240 nan 0.000 0.509 806 T N 1.754 116.119 114.554 -0.315 0.000 2.909 806 T HA 0.354 4.704 4.350 0.001 0.000 0.286 806 T C 1.303 175.787 174.700 -0.360 0.000 1.002 806 T CA -0.995 60.925 62.100 -0.299 0.000 1.074 806 T CB 1.189 69.917 68.868 -0.233 0.000 0.984 806 T HN 0.465 nan 8.240 nan 0.000 0.495 807 R N 1.409 121.633 120.500 -0.460 0.000 2.241 807 R HA 0.015 4.356 4.340 0.001 0.000 0.224 807 R C 2.029 177.894 176.300 -0.726 0.000 1.101 807 R CA 0.734 56.353 56.100 -0.802 0.000 0.995 807 R CB -0.991 28.374 30.300 -1.559 0.000 0.870 807 R HN 0.729 nan 8.270 nan 0.000 0.463 808 A N -0.020 122.595 122.820 -0.341 0.000 2.081 808 A HA 0.063 4.384 4.320 0.001 0.000 0.214 808 A C 2.089 179.536 177.584 -0.227 0.000 1.158 808 A CA 0.161 52.121 52.037 -0.127 0.000 0.724 808 A CB -0.168 18.918 19.000 0.144 0.000 0.826 808 A HN 0.122 nan 8.150 nan 0.000 0.463 809 M N -0.584 118.860 119.600 -0.259 0.000 2.149 809 M HA -0.224 4.257 4.480 0.001 0.000 0.261 809 M C 2.053 178.231 176.300 -0.204 0.000 1.064 809 M CA 2.025 57.205 55.300 -0.200 0.000 1.102 809 M CB -0.306 32.164 32.600 -0.216 0.000 1.369 809 M HN 0.602 nan 8.290 nan 0.000 0.408 810 E N 0.557 120.525 120.200 -0.386 0.000 2.108 810 E HA -0.238 4.112 4.350 0.001 0.000 0.203 810 E C 1.342 177.748 176.600 -0.322 0.000 1.022 810 E CA 2.141 58.278 56.400 -0.438 0.000 0.823 810 E CB -0.409 28.853 29.700 -0.731 0.000 0.744 810 E HN 0.698 nan 8.360 nan 0.000 0.456 811 Y N -0.623 119.605 120.300 -0.121 0.000 2.523 811 Y HA 0.171 4.721 4.550 0.000 0.000 0.279 811 Y C 1.547 177.333 175.900 -0.190 0.000 1.139 811 Y CA -0.128 57.823 58.100 -0.248 0.000 1.296 811 Y CB 0.272 38.325 38.460 -0.678 0.000 1.045 811 Y HN 0.019 nan 8.280 nan 0.000 0.538 812 L N -0.180 121.043 121.223 0.000 0.000 2.607 812 L HA 0.103 4.443 4.340 0.001 0.000 0.228 812 L C 0.328 177.355 176.870 0.262 0.000 1.123 812 L CA 0.062 54.964 54.840 0.103 0.000 0.890 812 L CB -0.066 42.036 42.059 0.071 0.000 1.103 812 L HN 0.041 nan 8.230 nan 0.000 0.468 813 K N 0.152 120.649 120.400 0.162 0.000 3.148 813 K HA -0.253 4.067 4.320 0.001 0.000 0.267 813 K C 0.558 177.189 176.600 0.053 0.000 0.996 813 K CA 0.554 56.907 56.287 0.110 0.000 0.737 813 K CB -2.150 30.439 32.500 0.147 0.000 1.308 813 K HN 0.264 nan 8.250 nan 0.000 0.470 814 F N 0.510 120.432 119.950 -0.046 0.000 2.416 814 F HA 0.023 4.551 4.527 0.001 0.000 0.296 814 F C 2.093 177.825 175.800 -0.113 0.000 1.099 814 F CA 0.747 58.711 58.000 -0.060 0.000 1.427 814 F CB 0.218 39.175 39.000 -0.071 0.000 1.079 814 F HN 0.117 nan 8.300 nan 0.000 0.536 815 R N -0.095 120.426 120.500 0.035 0.000 2.235 815 R HA -0.089 4.252 4.340 0.001 0.000 0.213 815 R C 1.139 177.369 176.300 -0.117 0.000 1.059 815 R CA 1.283 57.365 56.100 -0.031 0.000 0.997 815 R CB -0.172 30.114 30.300 -0.024 0.000 0.884 815 R HN 0.263 nan 8.270 nan 0.000 0.462 816 E N -0.507 119.577 120.200 -0.192 0.000 2.460 816 E HA 0.104 4.455 4.350 0.001 0.000 0.200 816 E C -0.390 175.928 176.600 -0.470 0.000 1.011 816 E CA 0.333 56.576 56.400 -0.263 0.000 0.912 816 E CB 0.721 30.301 29.700 -0.201 0.000 0.953 816 E HN 0.002 nan 8.360 nan 0.000 0.494 817 L N 0.706 121.610 121.223 -0.532 0.000 2.669 817 L HA 0.336 4.676 4.340 0.001 0.000 0.273 817 L C -2.537 173.992 176.870 -0.568 0.000 1.441 817 L CA -1.416 53.080 54.840 -0.573 0.000 0.745 817 L CB 0.960 42.542 42.059 -0.795 0.000 1.044 817 L HN -0.125 nan 8.230 nan 0.000 0.523 818 P HA 0.215 nan 4.420 nan 0.000 0.271 818 P C 0.071 177.138 177.300 -0.388 0.000 1.238 818 P CA -0.058 62.658 63.100 -0.640 0.000 0.794 818 P CB 0.874 32.462 31.700 -0.187 0.000 0.959 819 A N 0.081 122.794 122.820 -0.179 0.000 2.676 819 A HA 0.641 4.961 4.320 0.001 0.000 0.258 819 A C 0.185 177.857 177.584 0.146 0.000 0.898 819 A CA 0.387 52.431 52.037 0.011 0.000 1.087 819 A CB -0.352 18.685 19.000 0.061 0.000 1.214 819 A HN 0.677 nan 8.150 nan 0.000 0.474 820 G N -0.620 108.263 108.800 0.138 0.000 2.320 820 G HA2 0.498 4.459 3.960 0.001 0.000 0.296 820 G HA3 0.498 4.459 3.960 0.001 0.000 0.296 820 G C -1.924 172.885 174.900 -0.152 0.000 1.306 820 G CA -0.601 44.466 45.100 -0.055 0.000 0.836 820 G HN 0.275 nan 8.290 nan 0.000 0.517 821 Q N 0.036 119.705 119.800 -0.218 0.000 2.347 821 Q HA 0.371 4.712 4.340 0.001 0.000 0.271 821 Q C -0.921 175.022 176.000 -0.095 0.000 1.064 821 Q CA -1.090 54.610 55.803 -0.172 0.000 0.800 821 Q CB 2.388 30.843 28.738 -0.471 0.000 1.304 821 Q HN 0.392 nan 8.270 nan 0.000 0.438 822 N N 1.759 120.506 118.700 0.078 0.000 2.605 822 N HA 0.130 4.871 4.740 0.001 0.000 0.282 822 N C -0.874 174.640 175.510 0.006 0.000 1.206 822 N CA 0.177 53.304 53.050 0.128 0.000 1.074 822 N CB 0.348 38.919 38.487 0.141 0.000 1.434 822 N HN 0.590 nan 8.380 nan 0.000 0.506 823 A N 2.531 125.359 122.820 0.014 0.000 2.351 823 A HA 0.320 4.640 4.320 0.001 0.000 0.257 823 A C 0.492 178.033 177.584 -0.071 0.000 1.087 823 A CA -0.391 51.614 52.037 -0.053 0.000 0.798 823 A CB 0.591 19.581 19.000 -0.017 0.000 1.033 823 A HN 0.423 nan 8.150 nan 0.000 0.488 824 I N 2.305 122.791 120.570 -0.140 0.000 2.352 824 I HA 0.222 4.392 4.170 0.001 0.000 0.290 824 I C 0.152 176.113 176.117 -0.259 0.000 1.036 824 I CA 0.229 61.377 61.300 -0.255 0.000 1.336 824 I CB 0.690 38.529 38.000 -0.268 0.000 1.407 824 I HN 0.341 nan 8.210 nan 0.000 0.497 825 V N 7.143 126.887 119.914 -0.282 0.000 2.513 825 V HA 0.839 4.959 4.120 0.001 0.000 0.299 825 V C -0.143 175.881 176.094 -0.116 0.000 1.035 825 V CA -0.433 61.778 62.300 -0.148 0.000 0.889 825 V CB 1.797 33.636 31.823 0.026 0.000 0.988 825 V HN 0.839 nan 8.190 nan 0.000 0.440 826 A N 7.207 130.059 122.820 0.053 0.000 2.318 826 A HA 0.788 5.108 4.320 0.001 0.000 0.324 826 A C -0.466 177.220 177.584 0.171 0.000 1.170 826 A CA -0.701 51.466 52.037 0.217 0.000 0.810 826 A CB 0.795 19.983 19.000 0.313 0.000 1.198 826 A HN 0.877 nan 8.150 nan 0.000 0.484 827 I N 2.111 122.811 120.570 0.217 0.000 2.313 827 I HA 0.569 4.739 4.170 0.001 0.000 0.286 827 I C 0.371 176.580 176.117 0.154 0.000 1.091 827 I CA 0.026 61.431 61.300 0.175 0.000 1.216 827 I CB 0.299 38.419 38.000 0.200 0.000 1.434 827 I HN 0.641 nan 8.210 nan 0.000 0.487 828 A N 4.015 126.908 122.820 0.122 0.000 2.567 828 A HA 0.551 4.871 4.320 0.001 0.000 0.289 828 A C 0.256 177.905 177.584 0.109 0.000 1.177 828 A CA -0.493 51.614 52.037 0.118 0.000 0.694 828 A CB 1.143 20.228 19.000 0.143 0.000 1.292 828 A HN 0.631 nan 8.150 nan 0.000 0.425 829 C N -2.118 117.249 119.300 0.111 0.000 2.631 829 C HA 0.206 4.666 4.460 0.001 0.000 0.283 829 C C 0.804 175.916 174.990 0.203 0.000 1.295 829 C CA 1.371 60.444 59.018 0.091 0.000 1.697 829 C CB -1.068 26.691 27.740 0.032 0.000 2.128 829 C HN 0.937 nan 8.230 nan 0.000 0.503 830 Y N 2.554 122.906 120.300 0.088 0.000 2.951 830 Y HA -0.157 4.393 4.550 0.000 0.000 0.173 830 Y C 0.832 176.861 175.900 0.216 0.000 1.593 830 Y CA 1.336 59.524 58.100 0.146 0.000 0.902 830 Y CB -1.090 37.468 38.460 0.162 0.000 1.452 830 Y HN 0.899 nan 8.280 nan 0.000 0.358 831 S N 0.184 115.880 115.700 -0.007 0.000 3.952 831 S HA -0.105 4.365 4.470 0.001 0.000 0.630 831 S C 0.705 175.367 174.600 0.104 0.000 2.068 831 S CA 0.161 58.416 58.200 0.091 0.000 3.540 831 S CB -1.584 61.831 63.200 0.357 0.000 0.262 831 S HN 2.014 nan 8.310 nan 0.000 0.918 832 G N -0.939 107.937 108.800 0.127 0.000 4.750 832 G HA2 0.490 4.450 3.960 0.001 0.000 0.266 832 G HA3 0.490 4.450 3.960 0.001 0.000 0.266 832 G C 0.249 175.117 174.900 -0.052 0.000 1.000 832 G CA 0.570 45.672 45.100 0.004 0.000 0.776 832 G HN 0.629 nan 8.290 nan 0.000 0.357 833 Y N 1.746 122.091 120.300 0.076 0.000 2.395 833 Y HA -0.017 4.534 4.550 0.001 0.000 0.293 833 Y C 2.441 178.349 175.900 0.013 0.000 1.123 833 Y CA 1.247 59.366 58.100 0.032 0.000 1.227 833 Y CB 0.251 38.707 38.460 -0.007 0.000 1.012 833 Y HN 0.369 nan 8.280 nan 0.000 0.552 834 N N 0.713 119.507 118.700 0.156 0.000 2.501 834 N HA -0.105 4.635 4.740 0.001 0.000 0.195 834 N C 0.060 175.614 175.510 0.073 0.000 1.213 834 N CA 0.198 53.305 53.050 0.094 0.000 0.864 834 N CB -0.289 38.252 38.487 0.090 0.000 0.999 834 N HN 0.407 nan 8.380 nan 0.000 0.454 835 Q N 0.755 120.592 119.800 0.062 0.000 2.259 835 Q HA 0.106 4.446 4.340 0.001 0.000 0.246 835 Q C -0.579 175.447 176.000 0.044 0.000 0.920 835 Q CA -0.308 55.531 55.803 0.059 0.000 0.895 835 Q CB 0.550 29.311 28.738 0.038 0.000 1.220 835 Q HN 0.154 nan 8.270 nan 0.000 0.439 836 E N 3.232 123.462 120.200 0.051 0.000 2.313 836 E HA -0.236 4.114 4.350 0.001 0.000 0.190 836 E C -1.066 175.550 176.600 0.027 0.000 1.406 836 E CA 0.808 57.225 56.400 0.028 0.000 0.668 836 E CB -1.152 28.552 29.700 0.008 0.000 1.135 836 E HN 0.897 nan 8.360 nan 0.000 0.375 837 D N -1.159 119.262 120.400 0.036 0.000 2.751 837 D HA -0.190 4.450 4.640 0.001 0.000 0.233 837 D C -0.003 176.324 176.300 0.045 0.000 1.149 837 D CA 1.746 55.768 54.000 0.036 0.000 0.682 837 D CB -1.164 39.645 40.800 0.015 0.000 1.068 837 D HN 0.523 nan 8.370 nan 0.000 0.429 838 S N -1.321 114.408 115.700 0.048 0.000 2.745 838 S HA 0.895 5.365 4.470 0.001 0.000 0.306 838 S C 0.073 174.697 174.600 0.040 0.000 1.137 838 S CA -0.980 57.249 58.200 0.047 0.000 0.900 838 S CB 3.118 66.346 63.200 0.046 0.000 1.176 838 S HN 0.306 nan 8.310 nan 0.000 0.520 839 M N -0.396 119.210 119.600 0.010 0.000 2.644 839 M HA 0.604 5.085 4.480 0.001 0.000 0.273 839 M C -2.129 174.123 176.300 -0.080 0.000 1.253 839 M CA -0.827 54.456 55.300 -0.027 0.000 0.852 839 M CB 1.317 33.880 32.600 -0.061 0.000 1.708 839 M HN 0.605 nan 8.290 nan 0.000 0.471 840 I N 2.095 122.608 120.570 -0.095 0.000 2.392 840 I HA 0.521 4.691 4.170 0.001 0.000 0.295 840 I C -0.639 175.365 176.117 -0.188 0.000 0.985 840 I CA -0.487 60.711 61.300 -0.169 0.000 1.221 840 I CB 1.909 39.841 38.000 -0.114 0.000 1.366 840 I HN 0.721 nan 8.210 nan 0.000 0.467 841 M N 5.312 124.781 119.600 -0.219 0.000 2.393 841 M HA 0.336 4.816 4.480 0.001 0.000 0.316 841 M C -0.446 175.785 176.300 -0.115 0.000 1.087 841 M CA -0.766 54.422 55.300 -0.186 0.000 0.937 841 M CB 1.714 34.169 32.600 -0.242 0.000 1.668 841 M HN 0.464 nan 8.290 nan 0.000 0.438 842 N N 3.442 122.098 118.700 -0.074 0.000 2.410 842 N HA -0.030 4.710 4.740 0.001 0.000 0.281 842 N C 0.777 176.274 175.510 -0.022 0.000 1.241 842 N CA 0.359 53.394 53.050 -0.026 0.000 0.998 842 N CB 0.520 38.995 38.487 -0.019 0.000 1.376 842 N HN 0.607 nan 8.380 nan 0.000 0.490 843 Q N 1.519 121.314 119.800 -0.007 0.000 2.082 843 Q HA -0.243 4.098 4.340 0.001 0.000 0.211 843 Q C 1.440 177.436 176.000 -0.007 0.000 1.002 843 Q CA 1.482 57.281 55.803 -0.006 0.000 0.868 843 Q CB -0.625 28.120 28.738 0.012 0.000 0.931 843 Q HN 0.718 nan 8.270 nan 0.000 0.414 844 S N 0.332 116.029 115.700 -0.005 0.000 2.414 844 S HA -0.261 4.210 4.470 0.001 0.000 0.238 844 S C 2.011 176.596 174.600 -0.024 0.000 1.055 844 S CA 2.725 60.916 58.200 -0.014 0.000 1.174 844 S CB -0.451 62.739 63.200 -0.017 0.000 1.087 844 S HN 0.699 nan 8.310 nan 0.000 0.428 845 S N 1.070 116.751 115.700 -0.031 0.000 2.387 845 S HA -0.103 4.367 4.470 0.001 0.000 0.230 845 S C 1.793 176.367 174.600 -0.044 0.000 1.035 845 S CA 1.607 59.778 58.200 -0.048 0.000 1.014 845 S CB -0.866 62.298 63.200 -0.061 0.000 0.836 845 S HN 0.580 nan 8.310 nan 0.000 0.466 846 I N 2.443 122.997 120.570 -0.026 0.000 2.454 846 I HA -0.145 4.025 4.170 0.001 0.000 0.254 846 I C 1.630 177.744 176.117 -0.006 0.000 1.156 846 I CA 1.346 62.641 61.300 -0.008 0.000 1.433 846 I CB -0.338 37.663 38.000 0.001 0.000 1.082 846 I HN 0.298 nan 8.210 nan 0.000 0.432 847 D N 0.614 121.008 120.400 -0.009 0.000 2.323 847 D HA -0.046 4.594 4.640 0.001 0.000 0.209 847 D C 1.880 178.179 176.300 -0.001 0.000 0.973 847 D CA 0.558 54.558 54.000 -0.001 0.000 0.874 847 D CB -0.139 40.659 40.800 -0.003 0.000 0.930 847 D HN 0.398 nan 8.370 nan 0.000 0.521 848 R N 0.183 120.669 120.500 -0.023 0.000 2.323 848 R HA 0.167 4.507 4.340 0.001 0.000 0.198 848 R C 1.187 177.457 176.300 -0.050 0.000 0.988 848 R CA 0.587 56.660 56.100 -0.046 0.000 1.041 848 R CB 0.309 30.562 30.300 -0.079 0.000 0.926 848 R HN 0.152 nan 8.270 nan 0.000 0.476 849 G N 1.108 109.907 108.800 -0.002 0.000 2.163 849 G HA2 -0.229 3.731 3.960 0.001 0.000 0.213 849 G HA3 -0.229 3.731 3.960 0.001 0.000 0.213 849 G C -0.093 174.832 174.900 0.041 0.000 0.991 849 G CA -0.519 44.622 45.100 0.068 0.000 0.653 849 G HN 0.211 nan 8.290 nan 0.000 0.518 850 L N 0.932 122.130 121.223 -0.042 0.000 2.628 850 L HA 0.518 4.858 4.340 0.001 0.000 0.274 850 L C 1.242 178.135 176.870 0.038 0.000 1.209 850 L CA 1.072 55.840 54.840 -0.121 0.000 0.930 850 L CB -0.703 41.270 42.059 -0.144 0.000 1.183 850 L HN 0.550 nan 8.230 nan 0.000 0.492 851 F N 2.676 122.684 119.950 0.096 0.000 3.093 851 F HA -0.317 4.210 4.527 -0.000 0.000 0.287 851 F C 1.143 176.974 175.800 0.052 0.000 0.882 851 F CA 0.333 58.406 58.000 0.122 0.000 1.063 851 F CB -0.975 38.183 39.000 0.263 0.000 1.097 851 F HN 0.590 nan 8.300 nan 0.000 0.604 852 R N 0.644 121.210 120.500 0.109 0.000 2.577 852 R HA 0.655 4.995 4.340 0.001 0.000 0.269 852 R C 0.383 176.578 176.300 -0.175 0.000 1.084 852 R CA 0.443 56.435 56.100 -0.179 0.000 1.163 852 R CB 1.589 31.558 30.300 -0.552 0.000 1.100 852 R HN 0.250 nan 8.270 nan 0.000 0.547 853 S N 0.328 115.849 115.700 -0.298 0.000 2.552 853 S HA 0.387 4.857 4.470 0.001 0.000 0.272 853 S C -0.958 173.711 174.600 0.115 0.000 1.150 853 S CA -1.040 57.179 58.200 0.030 0.000 0.849 853 S CB 0.907 64.140 63.200 0.055 0.000 1.113 853 S HN 0.332 nan 8.310 nan 0.000 0.458 854 L N 1.550 122.950 121.223 0.295 0.000 2.416 854 L HA 0.720 5.060 4.340 0.001 0.000 0.262 854 L C -0.655 176.399 176.870 0.308 0.000 1.093 854 L CA -0.667 54.350 54.840 0.294 0.000 0.801 854 L CB 0.858 43.165 42.059 0.414 0.000 1.191 854 L HN 0.785 nan 8.230 nan 0.000 0.459 855 F N 1.579 121.550 119.950 0.036 0.000 2.941 855 F HA 0.490 5.017 4.527 0.001 0.000 0.359 855 F C -1.229 174.594 175.800 0.039 0.000 1.231 855 F CA -0.594 57.460 58.000 0.089 0.000 1.089 855 F CB 0.654 39.672 39.000 0.029 0.000 1.407 855 F HN 0.070 nan 8.300 nan 0.000 0.538 856 F N 4.534 124.349 119.950 -0.225 0.000 2.403 856 F HA 0.696 5.224 4.527 0.003 0.000 0.326 856 F C 0.123 175.760 175.800 -0.271 0.000 1.081 856 F CA -0.816 57.123 58.000 -0.102 0.000 1.041 856 F CB 1.479 40.452 39.000 -0.045 0.000 1.234 856 F HN 0.379 nan 8.300 nan 0.000 0.503 857 R N 1.229 121.808 120.500 0.132 0.000 2.867 857 R HA 0.249 4.589 4.340 0.001 0.000 0.288 857 R C -1.590 174.828 176.300 0.197 0.000 1.360 857 R CA -0.185 55.962 56.100 0.079 0.000 1.042 857 R CB 1.231 31.660 30.300 0.216 0.000 1.287 857 R HN 0.790 nan 8.270 nan 0.000 0.404 858 S N 3.067 118.822 115.700 0.093 0.000 2.576 858 S HA 0.339 4.809 4.470 0.001 0.000 0.276 858 S C -0.542 174.120 174.600 0.104 0.000 1.339 858 S CA -0.037 58.250 58.200 0.145 0.000 1.039 858 S CB 0.440 63.681 63.200 0.068 0.000 0.902 858 S HN 0.328 nan 8.310 nan 0.000 0.516 859 Y N 0.629 120.930 120.300 0.002 0.000 2.631 859 Y HA 0.739 5.291 4.550 0.003 0.000 0.328 859 Y C 0.373 176.264 175.900 -0.014 0.000 1.118 859 Y CA -1.296 56.803 58.100 -0.001 0.000 1.206 859 Y CB 1.033 39.487 38.460 -0.010 0.000 1.337 859 Y HN 0.423 nan 8.280 nan 0.000 0.515 860 M N 1.800 121.485 119.600 0.141 0.000 2.426 860 M HA 0.328 4.809 4.480 0.001 0.000 0.289 860 M C -2.557 173.824 176.300 0.135 0.000 1.168 860 M CA -0.307 55.045 55.300 0.087 0.000 0.933 860 M CB 2.352 35.023 32.600 0.119 0.000 1.750 860 M HN 0.840 nan 8.290 nan 0.000 0.494 861 D N 1.911 122.400 120.400 0.148 0.000 2.745 861 D HA 0.463 5.103 4.640 0.001 0.000 0.221 861 D C -1.451 175.118 176.300 0.449 0.000 1.237 861 D CA 0.037 54.209 54.000 0.288 0.000 0.781 861 D CB 1.941 42.941 40.800 0.333 0.000 1.575 861 D HN 0.684 nan 8.370 nan 0.000 0.482 862 Q N 0.642 120.685 119.800 0.406 0.000 3.226 862 Q HA 0.729 5.069 4.340 0.001 0.000 0.276 862 Q C -0.796 175.305 176.000 0.168 0.000 1.029 862 Q CA -0.913 55.127 55.803 0.396 0.000 0.854 862 Q CB 2.209 31.151 28.738 0.341 0.000 1.567 862 Q HN 0.301 nan 8.270 nan 0.000 0.481 863 E N 0.046 120.318 120.200 0.119 0.000 2.522 863 E HA 0.189 4.539 4.350 0.001 0.000 0.315 863 E C -1.106 175.519 176.600 0.041 0.000 0.917 863 E CA -0.061 56.342 56.400 0.005 0.000 0.796 863 E CB 1.005 30.631 29.700 -0.125 0.000 1.323 863 E HN 0.367 nan 8.360 nan 0.000 0.397 864 K N 1.828 122.257 120.400 0.048 0.000 1.372 864 K HA -0.022 4.298 4.320 0.001 0.000 0.094 864 K C -0.565 176.135 176.600 0.167 0.000 2.226 864 K CA -0.044 56.325 56.287 0.136 0.000 0.933 864 K CB 0.008 32.536 32.500 0.046 0.000 2.473 864 K HN 0.370 nan 8.250 nan 0.000 0.332 865 K N 1.056 121.448 120.400 -0.014 0.000 2.402 865 K HA 0.051 4.371 4.320 0.001 0.000 0.279 865 K C -0.984 175.478 176.600 -0.231 0.000 1.082 865 K CA 0.704 56.949 56.287 -0.070 0.000 1.080 865 K CB -0.222 32.218 32.500 -0.101 0.000 0.899 865 K HN 0.052 nan 8.250 nan 0.000 0.469 866 Y N 2.431 122.732 120.300 0.002 0.000 2.544 866 Y HA 0.290 4.840 4.550 0.000 0.000 0.347 866 Y C 0.873 176.776 175.900 0.005 0.000 1.089 866 Y CA -0.605 57.498 58.100 0.005 0.000 1.230 866 Y CB 1.770 40.233 38.460 0.005 0.000 1.101 866 Y HN 0.771 nan 8.280 nan 0.000 0.641 867 G N 0.575 109.428 108.800 0.089 0.000 3.146 867 G HA2 0.149 4.109 3.960 0.001 0.000 0.238 867 G HA3 0.149 4.109 3.960 0.001 0.000 0.238 867 G C 0.446 175.338 174.900 -0.014 0.000 1.022 867 G CA 0.087 45.183 45.100 -0.006 0.000 0.880 867 G HN 0.303 nan 8.290 nan 0.000 0.533 868 M N 0.886 120.494 119.600 0.012 0.000 4.510 868 M HA 0.369 4.849 4.480 0.001 0.000 0.567 868 M C 0.296 176.605 176.300 0.016 0.000 2.034 868 M CA -0.093 55.211 55.300 0.007 0.000 0.564 868 M CB 0.318 32.922 32.600 0.005 0.000 1.478 868 M HN 0.058 nan 8.290 nan 0.000 0.607 869 S N -1.008 114.707 115.700 0.025 0.000 4.198 869 S HA 0.439 4.909 4.470 0.001 0.000 0.202 869 S C 0.519 175.136 174.600 0.029 0.000 1.124 869 S CA -0.296 57.919 58.200 0.026 0.000 1.050 869 S CB 0.861 64.078 63.200 0.028 0.000 1.401 869 S HN 0.404 nan 8.310 nan 0.000 0.589 870 I N 3.815 124.414 120.570 0.048 0.000 2.943 870 I HA 0.006 4.176 4.170 0.001 0.000 0.296 870 I C -0.640 175.501 176.117 0.041 0.000 1.220 870 I CA 0.853 62.187 61.300 0.057 0.000 1.409 870 I CB -0.181 37.886 38.000 0.111 0.000 1.374 870 I HN 0.249 nan 8.210 nan 0.000 0.545 871 T N 4.638 119.202 114.554 0.016 0.000 3.160 871 T HA 0.161 4.512 4.350 0.001 0.000 0.344 871 T C -0.224 174.452 174.700 -0.041 0.000 0.981 871 T CA -0.698 61.397 62.100 -0.009 0.000 1.170 871 T CB 0.405 69.267 68.868 -0.011 0.000 1.016 871 T HN 0.492 nan 8.240 nan 0.000 0.492 872 E N 2.799 122.959 120.200 -0.066 0.000 1.999 872 E HA 0.117 4.467 4.350 0.001 0.000 0.296 872 E C 0.164 176.637 176.600 -0.212 0.000 1.187 872 E CA -0.265 56.074 56.400 -0.102 0.000 1.229 872 E CB -0.162 29.487 29.700 -0.086 0.000 1.131 872 E HN 0.492 nan 8.360 nan 0.000 0.478 873 T N 1.513 115.982 114.554 -0.141 0.000 2.946 873 T HA -0.050 4.300 4.350 0.001 0.000 0.312 873 T C 0.337 174.961 174.700 -0.125 0.000 1.066 873 T CA 0.202 62.216 62.100 -0.143 0.000 1.138 873 T CB 0.161 69.013 68.868 -0.028 0.000 1.014 873 T HN 0.159 nan 8.240 nan 0.000 0.544 874 F N 3.120 123.099 119.950 0.048 0.000 2.495 874 F HA 0.345 4.872 4.527 0.000 0.000 0.365 874 F C 1.342 177.166 175.800 0.040 0.000 1.090 874 F CA -0.074 57.953 58.000 0.045 0.000 1.235 874 F CB 0.463 39.485 39.000 0.037 0.000 1.119 874 F HN 0.723 nan 8.300 nan 0.000 0.562 875 E N 1.225 121.569 120.200 0.240 0.000 2.315 875 E HA 0.272 4.622 4.350 0.001 0.000 0.256 875 E C -1.739 174.943 176.600 0.135 0.000 1.148 875 E CA -1.333 55.155 56.400 0.146 0.000 0.898 875 E CB 1.355 31.112 29.700 0.094 0.000 1.708 875 E HN 0.384 nan 8.360 nan 0.000 0.473 876 K N 1.391 121.848 120.400 0.095 0.000 2.404 876 K HA 0.398 4.718 4.320 0.001 0.000 0.257 876 K C -2.528 174.083 176.600 0.019 0.000 1.026 876 K CA -1.947 54.395 56.287 0.092 0.000 0.951 876 K CB 0.973 33.520 32.500 0.077 0.000 1.203 876 K HN 0.203 nan 8.250 nan 0.000 0.446 877 P HA -0.020 nan 4.420 nan 0.000 0.271 877 P C -0.222 176.975 177.300 -0.172 0.000 1.218 877 P CA -0.212 62.829 63.100 -0.098 0.000 0.780 877 P CB 1.003 32.630 31.700 -0.122 0.000 0.901 878 Q N 2.988 122.720 119.800 -0.114 0.000 2.451 878 Q HA 0.234 4.575 4.340 0.001 0.000 0.189 878 Q C 1.004 176.945 176.000 -0.099 0.000 0.862 878 Q CA 0.520 56.260 55.803 -0.105 0.000 0.786 878 Q CB -0.090 28.613 28.738 -0.058 0.000 1.295 878 Q HN 0.160 nan 8.270 nan 0.000 0.580 879 R N 0.872 121.335 120.500 -0.061 0.000 1.921 879 R HA 0.148 4.488 4.340 0.001 0.000 0.190 879 R C 0.438 176.716 176.300 -0.037 0.000 1.595 879 R CA 2.048 58.120 56.100 -0.046 0.000 1.236 879 R CB -1.092 29.190 30.300 -0.029 0.000 1.010 879 R HN 0.836 nan 8.270 nan 0.000 0.482 880 T N -0.233 114.306 114.554 -0.025 0.000 4.302 880 T HA -0.189 4.161 4.350 0.001 0.000 0.343 880 T C 0.273 174.967 174.700 -0.010 0.000 0.755 880 T CA 0.852 62.943 62.100 -0.016 0.000 1.976 880 T CB -1.923 66.936 68.868 -0.015 0.000 1.874 880 T HN 0.436 nan 8.240 nan 0.000 0.922 881 N N 0.120 118.814 118.700 -0.009 0.000 3.132 881 N HA -0.284 4.457 4.740 0.001 0.000 0.214 881 N C 1.482 176.990 175.510 -0.005 0.000 0.172 881 N CA 3.290 56.337 53.050 -0.005 0.000 3.604 881 N CB -1.867 36.618 38.487 -0.002 0.000 1.030 881 N HN 0.881 nan 8.380 nan 0.000 0.289 882 T N 2.150 116.703 114.554 -0.003 0.000 2.833 882 T HA -0.009 4.342 4.350 0.001 0.000 0.269 882 T C 1.525 176.224 174.700 -0.001 0.000 1.054 882 T CA 1.584 63.684 62.100 0.000 0.000 1.135 882 T CB -0.507 68.363 68.868 0.003 0.000 0.869 882 T HN 0.778 nan 8.240 nan 0.000 0.466 883 L N -0.837 120.381 121.223 -0.008 0.000 3.970 883 L HA -0.197 4.144 4.340 0.001 0.000 0.425 883 L C 0.493 177.363 176.870 0.001 0.000 1.162 883 L CA 0.487 55.319 54.840 -0.013 0.000 0.968 883 L CB -1.863 40.188 42.059 -0.012 0.000 1.896 883 L HN -0.016 nan 8.230 nan 0.000 1.006 884 R N 1.319 121.825 120.500 0.009 0.000 4.164 884 R HA 0.436 4.777 4.340 0.001 0.000 0.195 884 R C 0.581 176.907 176.300 0.043 0.000 1.712 884 R CA -0.133 55.983 56.100 0.025 0.000 1.457 884 R CB 0.005 30.319 30.300 0.024 0.000 1.387 884 R HN 0.431 nan 8.270 nan 0.000 0.785 885 M N 0.500 120.128 119.600 0.047 0.000 1.898 885 M HA 0.279 4.759 4.480 0.001 0.000 0.191 885 M C 0.633 177.032 176.300 0.166 0.000 1.181 885 M CA -0.294 55.056 55.300 0.083 0.000 0.990 885 M CB 0.017 32.624 32.600 0.012 0.000 1.143 885 M HN 0.031 nan 8.290 nan 0.000 0.540 886 K N -0.359 120.219 120.400 0.296 0.000 2.642 886 K HA 0.276 4.596 4.320 0.001 0.000 0.273 886 K C -0.293 176.466 176.600 0.264 0.000 1.029 886 K CA -0.331 56.108 56.287 0.253 0.000 1.071 886 K CB 0.378 32.997 32.500 0.198 0.000 1.451 886 K HN 0.540 nan 8.250 nan 0.000 0.559 887 H N -0.184 118.947 119.070 0.102 0.000 2.854 887 H HA 0.520 5.078 4.556 0.004 0.000 0.275 887 H C -0.908 174.443 175.328 0.039 0.000 1.198 887 H CA -0.205 55.889 56.048 0.076 0.000 1.489 887 H CB 0.096 29.887 29.762 0.048 0.000 1.519 887 H HN 0.640 nan 8.280 nan 0.000 0.503 888 G N 2.116 110.777 108.800 -0.230 0.000 2.328 888 G HA2 0.030 3.990 3.960 0.001 0.000 0.299 888 G HA3 0.030 3.990 3.960 0.001 0.000 0.299 888 G C -1.209 173.611 174.900 -0.134 0.000 1.435 888 G CA -0.860 44.092 45.100 -0.247 0.000 0.865 888 G HN 0.345 nan 8.290 nan 0.000 0.601 889 T N 0.793 115.267 114.554 -0.133 0.000 2.901 889 T HA 0.322 4.672 4.350 0.001 0.000 0.301 889 T C 0.273 174.919 174.700 -0.091 0.000 1.012 889 T CA 0.697 62.770 62.100 -0.045 0.000 1.135 889 T CB 0.799 69.637 68.868 -0.050 0.000 0.936 889 T HN 0.401 nan 8.240 nan 0.000 0.539 890 Y N 0.087 120.366 120.300 -0.034 0.000 2.442 890 Y HA 0.139 4.687 4.550 -0.004 0.000 0.250 890 Y C 1.751 177.639 175.900 -0.021 0.000 1.113 890 Y CA -0.488 57.599 58.100 -0.022 0.000 1.273 890 Y CB 0.232 38.686 38.460 -0.010 0.000 1.138 890 Y HN 0.553 nan 8.280 nan 0.000 0.522 891 D N 0.462 120.932 120.400 0.117 0.000 2.384 891 D HA -0.121 4.519 4.640 0.001 0.000 0.222 891 D C 1.157 177.475 176.300 0.029 0.000 0.976 891 D CA 0.967 55.003 54.000 0.061 0.000 0.915 891 D CB -0.081 40.740 40.800 0.035 0.000 0.896 891 D HN 0.345 nan 8.370 nan 0.000 0.523 892 K N 0.013 120.421 120.400 0.013 0.000 2.374 892 K HA 0.173 4.493 4.320 0.001 0.000 0.196 892 K C 0.405 176.996 176.600 -0.015 0.000 1.023 892 K CA -0.040 56.237 56.287 -0.016 0.000 1.103 892 K CB 0.980 33.452 32.500 -0.046 0.000 0.848 892 K HN 0.150 nan 8.250 nan 0.000 0.528 893 L N 2.263 123.496 121.223 0.017 0.000 2.282 893 L HA 0.218 4.558 4.340 0.001 0.000 0.288 893 L C -0.159 176.727 176.870 0.027 0.000 1.033 893 L CA -0.670 54.184 54.840 0.023 0.000 0.807 893 L CB 1.063 43.163 42.059 0.068 0.000 1.209 893 L HN -0.028 nan 8.230 nan 0.000 0.423 894 D N 1.141 121.547 120.400 0.010 0.000 2.393 894 D HA 0.016 4.656 4.640 0.001 0.000 0.246 894 D C 0.650 176.965 176.300 0.025 0.000 1.275 894 D CA -0.268 53.739 54.000 0.011 0.000 0.979 894 D CB 0.718 41.517 40.800 -0.001 0.000 1.101 894 D HN 0.420 nan 8.370 nan 0.000 0.505 895 D N -0.655 119.759 120.400 0.024 0.000 2.310 895 D HA -0.103 4.538 4.640 0.001 0.000 0.212 895 D C 0.962 177.290 176.300 0.047 0.000 0.965 895 D CA 0.757 54.777 54.000 0.034 0.000 0.879 895 D CB -0.232 40.584 40.800 0.027 0.000 0.921 895 D HN 0.451 nan 8.370 nan 0.000 0.510 896 D N -1.179 119.245 120.400 0.040 0.000 2.355 896 D HA 0.104 4.744 4.640 0.001 0.000 0.218 896 D C 1.535 177.878 176.300 0.070 0.000 1.004 896 D CA 0.717 54.750 54.000 0.054 0.000 0.880 896 D CB -0.217 40.597 40.800 0.022 0.000 0.911 896 D HN 0.136 nan 8.370 nan 0.000 0.528 897 G N -0.400 108.435 108.800 0.058 0.000 2.141 897 G HA2 -0.219 3.742 3.960 0.001 0.000 0.242 897 G HA3 -0.219 3.742 3.960 0.001 0.000 0.242 897 G C -0.013 174.888 174.900 0.002 0.000 0.982 897 G CA 0.402 45.551 45.100 0.081 0.000 0.662 897 G HN 0.401 nan 8.290 nan 0.000 0.527 898 L N -0.718 120.473 121.223 -0.054 0.000 2.299 898 L HA 0.824 5.165 4.340 0.001 0.000 0.268 898 L C 0.835 177.662 176.870 -0.072 0.000 1.012 898 L CA -1.729 53.049 54.840 -0.104 0.000 0.816 898 L CB 0.829 42.796 42.059 -0.153 0.000 1.355 898 L HN 0.002 nan 8.230 nan 0.000 0.457 899 I N -0.006 120.510 120.570 -0.091 0.000 2.797 899 I HA 0.565 4.735 4.170 0.001 0.000 0.310 899 I C 0.292 176.369 176.117 -0.067 0.000 0.990 899 I CA -0.297 60.958 61.300 -0.075 0.000 1.228 899 I CB 0.963 38.908 38.000 -0.092 0.000 1.406 899 I HN 0.537 nan 8.210 nan 0.000 0.534 900 A N 3.343 126.132 122.820 -0.050 0.000 2.301 900 A HA 0.687 5.008 4.320 0.001 0.000 0.312 900 A C -2.403 175.156 177.584 -0.041 0.000 1.182 900 A CA -1.643 50.370 52.037 -0.041 0.000 0.826 900 A CB -0.188 18.794 19.000 -0.029 0.000 1.134 900 A HN 0.541 nan 8.150 nan 0.000 0.501 901 P HA 0.226 nan 4.420 nan 0.000 0.257 901 P C 0.891 178.177 177.300 -0.023 0.000 1.227 901 P CA 1.547 64.631 63.100 -0.027 0.000 0.981 901 P CB 0.265 31.955 31.700 -0.017 0.000 1.044 902 G N 1.411 110.194 108.800 -0.028 0.000 3.859 902 G HA2 -0.107 3.853 3.960 0.001 0.000 0.198 902 G HA3 -0.107 3.853 3.960 0.001 0.000 0.198 902 G C -0.066 174.817 174.900 -0.028 0.000 0.972 902 G CA -0.396 44.690 45.100 -0.023 0.000 0.882 902 G HN 0.338 nan 8.290 nan 0.000 0.364 903 V N 3.107 123.001 119.914 -0.034 0.000 2.901 903 V HA 0.261 4.381 4.120 0.001 0.000 0.307 903 V C 0.886 176.954 176.094 -0.042 0.000 1.084 903 V CA 0.067 62.345 62.300 -0.037 0.000 1.184 903 V CB 0.609 32.406 31.823 -0.043 0.000 0.941 903 V HN 0.391 nan 8.190 nan 0.000 0.493 904 R N 2.338 122.816 120.500 -0.038 0.000 2.490 904 R HA 0.645 4.985 4.340 0.001 0.000 0.278 904 R C -0.863 175.406 176.300 -0.052 0.000 1.069 904 R CA -0.482 55.593 56.100 -0.041 0.000 1.080 904 R CB 1.197 31.478 30.300 -0.032 0.000 1.030 904 R HN 0.503 nan 8.270 nan 0.000 0.491 905 V N 1.121 120.999 119.914 -0.060 0.000 2.962 905 V HA 0.545 4.665 4.120 0.001 0.000 0.313 905 V C -0.743 175.316 176.094 -0.058 0.000 1.099 905 V CA -0.516 61.741 62.300 -0.072 0.000 0.971 905 V CB 2.389 34.149 31.823 -0.104 0.000 1.028 905 V HN 1.076 nan 8.190 nan 0.000 0.430 906 S N 0.936 116.603 115.700 -0.056 0.000 2.567 906 S HA 0.838 5.309 4.470 0.001 0.000 0.270 906 S C -0.079 174.498 174.600 -0.037 0.000 1.152 906 S CA -0.115 58.061 58.200 -0.040 0.000 0.835 906 S CB 1.236 64.418 63.200 -0.032 0.000 1.115 906 S HN 2.218 nan 8.310 nan 0.000 0.459 907 G N 1.517 110.305 108.800 -0.021 0.000 2.598 907 G HA2 -0.236 3.725 3.960 0.001 0.000 0.269 907 G HA3 -0.236 3.725 3.960 0.001 0.000 0.269 907 G C -0.366 174.524 174.900 -0.015 0.000 1.289 907 G CA 0.263 45.358 45.100 -0.009 0.000 0.926 907 G HN 1.037 nan 8.290 nan 0.000 0.567 908 E N 1.532 121.728 120.200 -0.006 0.000 2.676 908 E HA 0.245 4.596 4.350 0.001 0.000 0.318 908 E C -0.386 176.169 176.600 -0.075 0.000 1.514 908 E CA -0.111 56.285 56.400 -0.007 0.000 1.667 908 E CB -0.090 29.648 29.700 0.063 0.000 1.336 908 E HN 0.338 nan 8.360 nan 0.000 0.492 909 D N 0.200 120.543 120.400 -0.095 0.000 2.312 909 D HA 0.159 4.799 4.640 0.001 0.000 0.248 909 D C 0.085 176.269 176.300 -0.194 0.000 1.086 909 D CA -0.476 53.435 54.000 -0.149 0.000 0.948 909 D CB 1.493 42.215 40.800 -0.130 0.000 1.162 909 D HN -0.084 nan 8.370 nan 0.000 0.446 910 V N 1.741 121.485 119.914 -0.282 0.000 2.904 910 V HA 0.305 4.425 4.120 0.001 0.000 0.305 910 V C 1.160 177.118 176.094 -0.226 0.000 1.067 910 V CA -0.094 62.012 62.300 -0.323 0.000 1.044 910 V CB 1.504 32.944 31.823 -0.640 0.000 1.050 910 V HN 0.518 nan 8.190 nan 0.000 0.475 911 I N 1.200 121.656 120.570 -0.190 0.000 4.317 911 I HA 0.316 4.486 4.170 0.001 0.000 0.289 911 I C -0.246 175.793 176.117 -0.131 0.000 1.164 911 I CA 0.336 61.522 61.300 -0.190 0.000 1.312 911 I CB 0.889 38.705 38.000 -0.307 0.000 1.569 911 I HN 0.374 nan 8.210 nan 0.000 0.450 912 I N 1.321 121.846 120.570 -0.074 0.000 2.418 912 I HA 0.465 4.636 4.170 0.001 0.000 0.287 912 I C -0.161 176.020 176.117 0.106 0.000 1.008 912 I CA -0.583 60.709 61.300 -0.015 0.000 1.104 912 I CB 1.692 39.677 38.000 -0.025 0.000 1.264 912 I HN -0.036 nan 8.210 nan 0.000 0.438 913 G N 5.323 114.226 108.800 0.171 0.000 2.388 913 G HA2 0.810 4.770 3.960 0.001 0.000 0.330 913 G HA3 0.810 4.770 3.960 0.001 0.000 0.330 913 G C -1.073 174.011 174.900 0.306 0.000 1.142 913 G CA -0.520 44.726 45.100 0.243 0.000 0.908 913 G HN 0.724 nan 8.290 nan 0.000 0.473 914 K N -0.538 119.996 120.400 0.225 0.000 2.572 914 K HA 0.600 4.920 4.320 0.001 0.000 0.263 914 K C -1.095 175.542 176.600 0.061 0.000 0.932 914 K CA -0.929 55.431 56.287 0.121 0.000 0.838 914 K CB 1.545 34.042 32.500 -0.006 0.000 1.366 914 K HN 0.595 nan 8.250 nan 0.000 0.425 915 T N -1.296 113.271 114.554 0.022 0.000 2.829 915 T HA 0.352 4.703 4.350 0.001 0.000 0.280 915 T C -0.285 174.415 174.700 -0.000 0.000 0.999 915 T CA -0.718 61.393 62.100 0.019 0.000 0.983 915 T CB 1.605 70.483 68.868 0.018 0.000 0.968 915 T HN 0.600 nan 8.240 nan 0.000 0.446 916 T N 3.082 117.640 114.554 0.006 0.000 2.753 916 T HA 0.455 4.806 4.350 0.001 0.000 0.297 916 T C -2.760 171.944 174.700 0.006 0.000 0.981 916 T CA -2.148 59.953 62.100 0.003 0.000 0.956 916 T CB 0.009 68.880 68.868 0.005 0.000 0.936 916 T HN 0.383 nan 8.240 nan 0.000 0.463 917 P HA 0.223 nan 4.420 nan 0.000 0.264 917 P C -0.704 176.603 177.300 0.011 0.000 1.229 917 P CA -0.209 62.896 63.100 0.008 0.000 0.780 917 P CB -0.030 31.675 31.700 0.009 0.000 0.808 918 I N 1.642 122.217 120.570 0.009 0.000 2.569 918 I HA 0.254 4.424 4.170 0.001 0.000 0.296 918 I C 1.030 177.152 176.117 0.009 0.000 1.028 918 I CA -0.755 60.550 61.300 0.009 0.000 1.082 918 I CB 1.623 39.628 38.000 0.008 0.000 1.264 918 I HN 0.181 nan 8.210 nan 0.000 0.429 934 K N 0.774 121.175 120.400 0.002 0.000 2.477 934 K HA 0.649 4.969 4.320 0.001 0.000 0.255 934 K C -1.211 175.393 176.600 0.006 0.000 0.952 934 K CA -0.703 55.587 56.287 0.004 0.000 0.826 934 K CB 2.245 34.746 32.500 0.002 0.000 1.331 934 K HN 0.137 nan 8.250 nan 0.000 0.437 935 R N 0.717 121.223 120.500 0.010 0.000 2.711 935 R HA 0.213 4.553 4.340 0.001 0.000 0.284 935 R C -0.946 175.371 176.300 0.029 0.000 0.968 935 R CA -0.945 55.165 56.100 0.017 0.000 0.924 935 R CB 1.353 31.663 30.300 0.016 0.000 1.162 935 R HN 0.598 nan 8.270 nan 0.000 0.465 936 D N 0.672 121.098 120.400 0.043 0.000 2.372 936 D HA 0.213 4.853 4.640 0.001 0.000 0.243 936 D C -0.564 175.780 176.300 0.075 0.000 1.121 936 D CA 0.349 54.393 54.000 0.074 0.000 0.898 936 D CB 1.348 42.212 40.800 0.108 0.000 1.202 936 D HN 0.598 nan 8.370 nan 0.000 0.428 937 A N 2.317 125.192 122.820 0.092 0.000 2.709 937 A HA 0.231 4.551 4.320 0.001 0.000 0.241 937 A C 0.361 178.016 177.584 0.119 0.000 0.879 937 A CA -0.304 51.785 52.037 0.087 0.000 1.120 937 A CB -0.202 18.834 19.000 0.059 0.000 1.226 937 A HN 0.406 nan 8.150 nan 0.000 0.468 938 S N 0.147 115.932 115.700 0.142 0.000 2.589 938 S HA 0.414 4.885 4.470 0.001 0.000 0.265 938 S C 0.288 174.944 174.600 0.093 0.000 1.342 938 S CA 0.740 59.022 58.200 0.136 0.000 1.005 938 S CB 0.440 63.728 63.200 0.147 0.000 0.909 938 S HN 0.442 nan 8.310 nan 0.000 0.555 939 T N 5.001 119.598 114.554 0.071 0.000 3.250 939 T HA 0.404 4.755 4.350 0.001 0.000 0.391 939 T C -2.645 172.081 174.700 0.043 0.000 1.502 939 T CA -0.905 61.247 62.100 0.086 0.000 1.320 939 T CB 0.922 69.872 68.868 0.138 0.000 1.102 939 T HN 0.470 nan 8.240 nan 0.000 0.610 940 P HA 0.018 nan 4.420 nan 0.000 0.270 940 P C 0.298 177.623 177.300 0.042 0.000 1.221 940 P CA -0.631 62.459 63.100 -0.017 0.000 0.788 940 P CB 0.598 32.298 31.700 0.001 0.000 0.904 941 L N 1.702 122.914 121.223 -0.018 0.000 2.475 941 L HA 0.189 4.529 4.340 0.001 0.000 0.253 941 L C 0.534 177.486 176.870 0.135 0.000 1.198 941 L CA -0.371 54.480 54.840 0.018 0.000 0.814 941 L CB 0.408 42.413 42.059 -0.090 0.000 1.134 941 L HN 0.307 nan 8.230 nan 0.000 0.478 942 R N 1.630 122.265 120.500 0.224 0.000 2.413 942 R HA 0.006 4.346 4.340 0.001 0.000 0.333 942 R C 1.491 177.836 176.300 0.075 0.000 1.074 942 R CA 0.400 56.593 56.100 0.155 0.000 0.982 942 R CB -0.282 30.128 30.300 0.183 0.000 0.981 942 R HN 0.705 nan 8.270 nan 0.000 0.452 943 S N 0.926 116.658 115.700 0.055 0.000 2.444 943 S HA -0.232 4.238 4.470 0.001 0.000 0.244 943 S C 1.513 176.128 174.600 0.024 0.000 1.025 943 S CA 2.047 60.269 58.200 0.037 0.000 0.995 943 S CB -0.236 62.988 63.200 0.040 0.000 0.781 943 S HN 0.538 nan 8.310 nan 0.000 0.496 944 T N 1.923 116.487 114.554 0.017 0.000 2.735 944 T HA 0.057 4.407 4.350 0.001 0.000 0.256 944 T C 0.928 175.616 174.700 -0.020 0.000 1.042 944 T CA 1.001 63.099 62.100 -0.003 0.000 1.147 944 T CB -0.130 68.728 68.868 -0.017 0.000 0.865 944 T HN 0.593 nan 8.240 nan 0.000 0.421 945 E N 1.572 121.759 120.200 -0.022 0.000 2.446 945 E HA 0.559 4.910 4.350 0.001 0.000 0.251 945 E C -0.709 175.880 176.600 -0.019 0.000 1.087 945 E CA -0.911 55.458 56.400 -0.052 0.000 0.937 945 E CB 0.663 30.307 29.700 -0.093 0.000 1.254 945 E HN 0.449 nan 8.360 nan 0.000 0.479 946 N N -1.384 117.299 118.700 -0.029 0.000 4.451 946 N HA 0.434 5.174 4.740 0.001 0.000 0.195 946 N C -0.680 174.813 175.510 -0.028 0.000 1.087 946 N CA -0.155 52.881 53.050 -0.022 0.000 1.025 946 N CB 0.676 39.147 38.487 -0.027 0.000 1.603 946 N HN 0.667 nan 8.380 nan 0.000 0.631 947 G N -0.118 108.663 108.800 -0.030 0.000 2.539 947 G HA2 0.386 4.347 3.960 0.001 0.000 0.138 947 G HA3 0.386 4.347 3.960 0.001 0.000 0.138 947 G C -1.760 173.114 174.900 -0.044 0.000 1.148 947 G CA -0.612 44.468 45.100 -0.034 0.000 1.057 947 G HN 0.621 nan 8.290 nan 0.000 0.511 948 I N 2.004 122.545 120.570 -0.048 0.000 2.359 948 I HA 0.370 4.541 4.170 0.001 0.000 0.284 948 I C 0.384 176.467 176.117 -0.057 0.000 1.018 948 I CA -0.887 60.382 61.300 -0.051 0.000 1.173 948 I CB 1.621 39.593 38.000 -0.047 0.000 1.326 948 I HN 0.204 nan 8.210 nan 0.000 0.462 949 V N 5.619 125.497 119.914 -0.059 0.000 2.742 949 V HA -0.171 3.950 4.120 0.001 0.000 0.302 949 V C 0.942 177.018 176.094 -0.029 0.000 1.133 949 V CA 0.838 63.106 62.300 -0.054 0.000 1.284 949 V CB -0.002 31.781 31.823 -0.067 0.000 0.850 949 V HN 0.822 nan 8.190 nan 0.000 0.494 950 D N 2.799 123.197 120.400 -0.004 0.000 2.648 950 D HA 0.129 4.769 4.640 0.001 0.000 0.261 950 D C 0.603 176.923 176.300 0.035 0.000 1.261 950 D CA 0.773 54.792 54.000 0.032 0.000 1.011 950 D CB 0.638 41.500 40.800 0.104 0.000 1.092 950 D HN 0.739 nan 8.370 nan 0.000 0.417 951 Q N -0.604 119.224 119.800 0.047 0.000 2.423 951 Q HA 0.583 4.923 4.340 0.001 0.000 0.278 951 Q C -1.457 174.543 176.000 0.001 0.000 1.097 951 Q CA -0.707 55.110 55.803 0.024 0.000 0.809 951 Q CB 3.581 32.342 28.738 0.039 0.000 1.391 951 Q HN -0.108 nan 8.270 nan 0.000 0.428 952 V N 2.653 122.552 119.914 -0.025 0.000 2.340 952 V HA 0.261 4.382 4.120 0.001 0.000 0.277 952 V C -1.259 174.791 176.094 -0.073 0.000 1.017 952 V CA -0.566 61.697 62.300 -0.062 0.000 0.820 952 V CB 1.274 33.049 31.823 -0.081 0.000 1.028 952 V HN 0.554 nan 8.190 nan 0.000 0.436 953 L N 7.039 128.210 121.223 -0.086 0.000 2.283 953 L HA 0.520 4.860 4.340 0.001 0.000 0.287 953 L C -0.167 176.620 176.870 -0.138 0.000 1.073 953 L CA 0.424 55.215 54.840 -0.082 0.000 0.822 953 L CB 1.182 43.207 42.059 -0.056 0.000 1.186 953 L HN 0.408 nan 8.230 nan 0.000 0.436 954 V N 5.575 125.437 119.914 -0.087 0.000 2.439 954 V HA 0.735 4.856 4.120 0.001 0.000 0.282 954 V C 0.361 176.464 176.094 0.014 0.000 1.039 954 V CA -0.158 62.099 62.300 -0.072 0.000 0.913 954 V CB 1.226 33.019 31.823 -0.050 0.000 0.983 954 V HN 0.988 nan 8.190 nan 0.000 0.460 955 T N 1.944 116.547 114.554 0.081 0.000 2.606 955 T HA 0.536 4.886 4.350 0.001 0.000 0.289 955 T C -0.540 174.324 174.700 0.273 0.000 1.113 955 T CA -0.484 61.731 62.100 0.191 0.000 1.106 955 T CB 1.909 70.938 68.868 0.269 0.000 1.611 955 T HN 0.697 nan 8.240 nan 0.000 0.471 956 T N 0.175 114.891 114.554 0.271 0.000 2.868 956 T HA 0.616 4.966 4.350 0.001 0.000 0.306 956 T C -1.431 173.331 174.700 0.103 0.000 1.224 956 T CA -0.596 61.628 62.100 0.208 0.000 1.012 956 T CB 1.855 70.802 68.868 0.131 0.000 1.221 956 T HN 0.592 nan 8.240 nan 0.000 0.499 957 N N 0.725 119.434 118.700 0.016 0.000 2.502 957 N HA 0.376 5.116 4.740 0.001 0.000 0.280 957 N C 1.195 176.680 175.510 -0.042 0.000 1.223 957 N CA -0.442 52.549 53.050 -0.098 0.000 0.966 957 N CB 1.209 39.579 38.487 -0.195 0.000 1.203 957 N HN 0.665 nan 8.380 nan 0.000 0.565 958 Q N -0.674 119.093 119.800 -0.054 0.000 2.297 958 Q HA -0.118 4.222 4.340 0.001 0.000 0.208 958 Q C -0.210 175.781 176.000 -0.015 0.000 0.981 958 Q CA 1.248 57.037 55.803 -0.024 0.000 0.876 958 Q CB 0.029 28.754 28.738 -0.022 0.000 0.921 958 Q HN 0.567 nan 8.270 nan 0.000 0.446 959 D N -0.925 119.459 120.400 -0.026 0.000 2.349 959 D HA 0.145 4.785 4.640 0.001 0.000 0.214 959 D C 0.216 176.510 176.300 -0.011 0.000 1.063 959 D CA 0.607 54.593 54.000 -0.023 0.000 0.847 959 D CB 0.657 41.431 40.800 -0.042 0.000 0.933 959 D HN 0.271 nan 8.370 nan 0.000 0.513 960 G N 1.191 109.994 108.800 0.004 0.000 2.643 960 G HA2 -0.206 3.754 3.960 0.001 0.000 0.280 960 G HA3 -0.206 3.754 3.960 0.001 0.000 0.280 960 G C -0.423 174.499 174.900 0.037 0.000 1.120 960 G CA -0.451 44.663 45.100 0.024 0.000 1.165 960 G HN 0.255 nan 8.290 nan 0.000 0.540 961 L N 0.393 121.653 121.223 0.061 0.000 2.356 961 L HA 0.483 4.824 4.340 0.001 0.000 0.277 961 L C 0.778 177.761 176.870 0.190 0.000 0.996 961 L CA -1.060 53.840 54.840 0.100 0.000 0.822 961 L CB 2.082 44.192 42.059 0.084 0.000 1.256 961 L HN 0.265 nan 8.230 nan 0.000 0.413 962 K N 3.810 124.327 120.400 0.194 0.000 2.307 962 K HA 0.173 4.493 4.320 0.001 0.000 0.285 962 K C -1.201 175.688 176.600 0.481 0.000 1.073 962 K CA 0.033 56.495 56.287 0.292 0.000 0.996 962 K CB 0.067 32.708 32.500 0.236 0.000 0.994 962 K HN 0.421 nan 8.250 nan 0.000 0.452 963 F N 4.254 124.360 119.950 0.260 0.000 2.547 963 F HA 0.468 4.996 4.527 0.002 0.000 0.316 963 F C -1.487 174.400 175.800 0.147 0.000 1.121 963 F CA -0.819 57.326 58.000 0.241 0.000 0.911 963 F CB 1.160 40.249 39.000 0.149 0.000 1.179 963 F HN 0.029 nan 8.300 nan 0.000 0.443 964 V N 4.497 124.062 119.914 -0.582 0.000 2.960 964 V HA 0.600 4.721 4.120 0.001 0.000 0.315 964 V C -0.896 174.801 176.094 -0.661 0.000 1.087 964 V CA -1.135 60.791 62.300 -0.623 0.000 0.982 964 V CB 2.246 33.731 31.823 -0.565 0.000 1.039 964 V HN 0.753 nan 8.190 nan 0.000 0.437 965 K N 1.455 121.602 120.400 -0.421 0.000 2.565 965 K HA 0.657 4.977 4.320 0.001 0.000 0.249 965 K C -1.876 174.661 176.600 -0.105 0.000 0.958 965 K CA -0.484 55.674 56.287 -0.215 0.000 0.806 965 K CB 2.415 34.819 32.500 -0.160 0.000 1.194 965 K HN 0.452 nan 8.250 nan 0.000 0.434 966 V N 3.267 123.168 119.914 -0.021 0.000 2.409 966 V HA 0.425 4.546 4.120 0.001 0.000 0.291 966 V C -0.131 176.021 176.094 0.097 0.000 1.020 966 V CA -0.907 61.385 62.300 -0.012 0.000 0.848 966 V CB 1.405 33.169 31.823 -0.098 0.000 0.990 966 V HN 0.643 nan 8.190 nan 0.000 0.430 967 R N 3.678 124.228 120.500 0.084 0.000 2.368 967 R HA 0.759 5.099 4.340 0.001 0.000 0.302 967 R C -1.308 175.049 176.300 0.096 0.000 1.002 967 R CA -0.369 55.824 56.100 0.154 0.000 0.929 967 R CB 1.654 32.063 30.300 0.183 0.000 1.073 967 R HN 0.572 nan 8.270 nan 0.000 0.464 968 V N 4.200 124.193 119.914 0.131 0.000 2.540 968 V HA 0.525 4.645 4.120 0.001 0.000 0.302 968 V C -0.179 175.935 176.094 0.032 0.000 1.035 968 V CA -0.969 61.360 62.300 0.047 0.000 0.873 968 V CB 1.418 33.255 31.823 0.023 0.000 0.992 968 V HN 0.774 nan 8.190 nan 0.000 0.428 969 R N 2.246 122.694 120.500 -0.086 0.000 2.604 969 R HA 0.809 5.149 4.340 0.001 0.000 0.287 969 R C -0.950 175.287 176.300 -0.106 0.000 0.970 969 R CA -0.158 55.795 56.100 -0.246 0.000 0.946 969 R CB 1.951 31.968 30.300 -0.472 0.000 1.127 969 R HN 0.908 nan 8.270 nan 0.000 0.473 970 T N 1.015 115.536 114.554 -0.055 0.000 2.896 970 T HA 0.280 4.630 4.350 0.001 0.000 0.297 970 T C -0.705 174.000 174.700 0.010 0.000 1.108 970 T CA -0.628 61.463 62.100 -0.015 0.000 1.004 970 T CB 1.892 70.754 68.868 -0.010 0.000 1.159 970 T HN 0.421 nan 8.240 nan 0.000 0.499 971 T N 2.464 117.026 114.554 0.014 0.000 2.875 971 T HA 0.472 4.822 4.350 0.001 0.000 0.284 971 T C -0.409 174.271 174.700 -0.033 0.000 0.995 971 T CA -0.593 61.520 62.100 0.023 0.000 1.060 971 T CB 0.460 69.360 68.868 0.053 0.000 0.967 971 T HN 0.353 nan 8.240 nan 0.000 0.476 972 K N 3.436 123.805 120.400 -0.052 0.000 2.413 972 K HA 0.514 4.835 4.320 0.001 0.000 0.257 972 K C -0.661 175.893 176.600 -0.077 0.000 0.946 972 K CA -0.598 55.650 56.287 -0.066 0.000 0.823 972 K CB 1.781 34.242 32.500 -0.065 0.000 1.109 972 K HN 0.502 nan 8.250 nan 0.000 0.427 973 I N 4.070 124.606 120.570 -0.057 0.000 2.359 973 I HA 0.241 4.412 4.170 0.001 0.000 0.294 973 I C -1.969 174.164 176.117 0.026 0.000 0.987 973 I CA -2.641 58.637 61.300 -0.037 0.000 1.225 973 I CB 1.356 39.332 38.000 -0.040 0.000 1.366 973 I HN 0.301 nan 8.210 nan 0.000 0.466 974 P HA -0.041 nan 4.420 nan 0.000 0.252 974 P C -0.495 176.869 177.300 0.108 0.000 1.183 974 P CA 0.617 63.832 63.100 0.192 0.000 0.973 974 P CB 0.529 32.398 31.700 0.282 0.000 0.990 975 Q N 1.951 121.806 119.800 0.091 0.000 2.547 975 Q HA 0.217 4.558 4.340 0.001 0.000 0.181 975 Q C 1.226 177.258 176.000 0.054 0.000 1.005 975 Q CA -0.930 54.900 55.803 0.045 0.000 1.005 975 Q CB 0.844 29.597 28.738 0.025 0.000 1.574 975 Q HN 0.086 nan 8.270 nan 0.000 0.499 976 I N 0.327 120.916 120.570 0.031 0.000 2.039 976 I HA -0.146 4.024 4.170 0.001 0.000 0.233 976 I C 1.115 177.260 176.117 0.047 0.000 1.040 976 I CA 2.329 63.643 61.300 0.024 0.000 1.308 976 I CB -0.703 37.306 38.000 0.016 0.000 1.035 976 I HN 0.644 nan 8.210 nan 0.000 0.392 977 G N 1.451 110.287 108.800 0.061 0.000 4.403 977 G HA2 0.269 4.229 3.960 0.001 0.000 0.297 977 G HA3 0.269 4.229 3.960 0.001 0.000 0.297 977 G C -0.996 173.969 174.900 0.108 0.000 1.325 977 G CA -0.355 44.791 45.100 0.077 0.000 1.378 977 G HN 0.261 nan 8.290 nan 0.000 0.595 978 D N 0.811 121.320 120.400 0.181 0.000 2.198 978 D HA 0.249 4.890 4.640 0.001 0.000 0.245 978 D C 0.502 176.961 176.300 0.264 0.000 1.079 978 D CA -0.364 53.750 54.000 0.189 0.000 0.854 978 D CB 2.072 42.995 40.800 0.205 0.000 1.148 978 D HN 0.113 nan 8.370 nan 0.000 0.456 979 K N 1.174 121.626 120.400 0.086 0.000 2.518 979 K HA 0.046 4.366 4.320 0.001 0.000 0.276 979 K C -0.344 176.260 176.600 0.007 0.000 0.974 979 K CA 0.640 56.978 56.287 0.086 0.000 0.986 979 K CB 0.350 32.885 32.500 0.059 0.000 0.901 979 K HN 0.292 nan 8.250 nan 0.000 0.497 980 F N 1.428 121.386 119.950 0.013 0.000 1.939 980 F HA 0.454 4.981 4.527 -0.000 0.000 0.225 980 F C 0.054 175.893 175.800 0.066 0.000 1.213 980 F CA 0.503 58.500 58.000 -0.005 0.000 1.303 980 F CB -0.410 38.558 39.000 -0.054 0.000 1.808 980 F HN 0.673 nan 8.300 nan 0.000 0.329 981 A N 0.515 123.555 122.820 0.366 0.000 2.435 981 A HA 0.165 4.485 4.320 0.001 0.000 0.686 981 A C 0.528 178.049 177.584 -0.105 0.000 0.138 981 A CA 0.081 52.220 52.037 0.169 0.000 0.024 981 A CB -1.678 17.373 19.000 0.084 0.000 3.974 981 A HN 0.951 nan 8.150 nan 0.000 0.548 982 S N 1.791 117.285 115.700 -0.343 0.000 2.218 982 S HA 0.587 5.058 4.470 0.001 0.000 0.225 982 S C 0.943 175.373 174.600 -0.283 0.000 1.243 982 S CA 0.605 58.399 58.200 -0.678 0.000 1.057 982 S CB 0.485 63.242 63.200 -0.739 0.000 0.985 982 S HN 1.060 nan 8.310 nan 0.000 0.434 983 R N -0.566 119.738 120.500 -0.327 0.000 2.472 983 R HA 0.318 4.659 4.340 0.001 0.000 0.279 983 R C -0.200 175.771 176.300 -0.549 0.000 0.953 983 R CA 0.135 55.993 56.100 -0.403 0.000 1.088 983 R CB 0.178 30.183 30.300 -0.492 0.000 1.197 983 R HN 0.669 nan 8.270 nan 0.000 0.536 984 H N -1.421 117.656 119.070 0.011 0.000 2.562 984 H HA 0.275 4.831 4.556 0.000 0.000 0.249 984 H C 0.780 176.158 175.328 0.084 0.000 1.195 984 H CA 0.157 56.247 56.048 0.069 0.000 0.938 984 H CB 1.240 31.067 29.762 0.108 0.000 1.891 984 H HN 0.244 nan 8.280 nan 0.000 0.595 985 G N 0.966 109.850 108.800 0.139 0.000 2.166 985 G HA2 -0.338 3.622 3.960 0.001 0.000 0.260 985 G HA3 -0.338 3.622 3.960 0.001 0.000 0.260 985 G C 0.768 175.687 174.900 0.032 0.000 0.986 985 G CA -0.073 45.087 45.100 0.101 0.000 0.683 985 G HN 0.397 nan 8.290 nan 0.000 0.527 986 Q N 0.631 120.490 119.800 0.098 0.000 2.639 986 Q HA 0.104 4.445 4.340 0.001 0.000 0.301 986 Q C 1.332 177.395 176.000 0.106 0.000 1.029 986 Q CA 0.549 56.415 55.803 0.105 0.000 0.936 986 Q CB -0.184 28.685 28.738 0.218 0.000 1.354 986 Q HN 0.902 nan 8.270 nan 0.000 0.417 987 K N -1.158 119.277 120.400 0.058 0.000 2.276 987 K HA 0.521 4.841 4.320 0.001 0.000 0.259 987 K C 0.299 176.954 176.600 0.091 0.000 1.001 987 K CA -0.179 56.155 56.287 0.079 0.000 0.927 987 K CB 0.752 33.271 32.500 0.032 0.000 0.969 987 K HN 0.084 nan 8.250 nan 0.000 0.490 988 G N 0.073 108.948 108.800 0.124 0.000 2.411 988 G HA2 0.303 4.263 3.960 0.001 0.000 0.295 988 G HA3 0.303 4.263 3.960 0.001 0.000 0.295 988 G C -1.182 173.803 174.900 0.141 0.000 1.542 988 G CA -0.454 44.713 45.100 0.111 0.000 0.814 988 G HN 0.819 nan 8.290 nan 0.000 0.557 989 T N -1.363 113.254 114.554 0.103 0.000 2.936 989 T HA 0.707 5.057 4.350 0.001 0.000 0.282 989 T C 0.339 175.081 174.700 0.069 0.000 1.003 989 T CA -0.755 61.419 62.100 0.125 0.000 1.005 989 T CB 1.007 69.931 68.868 0.093 0.000 1.097 989 T HN 0.532 nan 8.240 nan 0.000 0.532 990 I N 2.325 122.924 120.570 0.048 0.000 2.379 990 I HA 0.289 4.459 4.170 0.001 0.000 0.290 990 I C 1.621 177.729 176.117 -0.015 0.000 1.063 990 I CA -0.372 60.894 61.300 -0.057 0.000 1.351 990 I CB 0.929 38.864 38.000 -0.107 0.000 1.410 990 I HN 1.010 nan 8.210 nan 0.000 0.505 991 G N 6.731 115.523 108.800 -0.014 0.000 2.426 991 G HA2 0.121 4.081 3.960 0.001 0.000 0.214 991 G HA3 0.121 4.081 3.960 0.001 0.000 0.214 991 G C 0.288 175.182 174.900 -0.010 0.000 1.156 991 G CA 0.669 45.794 45.100 0.042 0.000 0.802 991 G HN 0.427 nan 8.290 nan 0.000 0.534 992 I N -0.643 119.840 120.570 -0.144 0.000 3.149 992 I HA 0.445 4.615 4.170 0.001 0.000 0.310 992 I C -1.078 174.815 176.117 -0.374 0.000 1.343 992 I CA -0.944 60.168 61.300 -0.313 0.000 0.955 992 I CB 2.060 39.702 38.000 -0.597 0.000 1.309 992 I HN 0.040 nan 8.210 nan 0.000 0.478 993 T N 0.766 115.107 114.554 -0.356 0.000 2.824 993 T HA 0.718 5.069 4.350 0.001 0.000 0.282 993 T C -0.993 173.620 174.700 -0.144 0.000 0.993 993 T CA -0.534 61.419 62.100 -0.246 0.000 0.967 993 T CB 0.828 69.633 68.868 -0.105 0.000 0.960 993 T HN 0.353 nan 8.240 nan 0.000 0.441 994 Y N 0.526 120.808 120.300 -0.030 0.000 2.485 994 Y HA 0.574 5.124 4.550 0.000 0.000 0.345 994 Y C 0.947 176.834 175.900 -0.020 0.000 0.998 994 Y CA -1.677 56.417 58.100 -0.010 0.000 1.059 994 Y CB 2.258 40.741 38.460 0.039 0.000 1.234 994 Y HN 0.438 nan 8.280 nan 0.000 0.461 995 R N 0.866 121.457 120.500 0.151 0.000 2.560 995 R HA 0.171 4.511 4.340 0.001 0.000 0.270 995 R C 1.379 177.695 176.300 0.026 0.000 1.074 995 R CA -0.316 55.816 56.100 0.054 0.000 1.140 995 R CB 0.663 30.977 30.300 0.022 0.000 1.073 995 R HN 0.715 nan 8.270 nan 0.000 0.527 996 R N 1.283 121.780 120.500 -0.004 0.000 2.226 996 R HA -0.238 4.103 4.340 0.001 0.000 0.246 996 R C 0.764 177.022 176.300 -0.071 0.000 1.161 996 R CA 2.178 58.261 56.100 -0.028 0.000 0.997 996 R CB 0.113 30.391 30.300 -0.038 0.000 0.870 996 R HN 0.633 nan 8.270 nan 0.000 0.465 997 E N 0.031 120.183 120.200 -0.079 0.000 2.107 997 E HA -0.115 4.236 4.350 0.001 0.000 0.191 997 E C 0.803 177.310 176.600 -0.156 0.000 0.982 997 E CA 1.266 57.590 56.400 -0.126 0.000 0.809 997 E CB 0.084 29.723 29.700 -0.101 0.000 0.756 997 E HN 0.376 nan 8.360 nan 0.000 0.459 998 D N -0.197 120.113 120.400 -0.150 0.000 2.325 998 D HA 0.109 4.750 4.640 0.001 0.000 0.225 998 D C -0.084 176.103 176.300 -0.188 0.000 1.096 998 D CA 0.091 53.901 54.000 -0.318 0.000 0.844 998 D CB 0.106 40.710 40.800 -0.328 0.000 0.925 998 D HN 0.153 nan 8.370 nan 0.000 0.513 999 M N 1.520 121.085 119.600 -0.059 0.000 2.478 999 M HA 0.339 4.820 4.480 0.001 0.000 0.327 999 M C -2.486 173.770 176.300 -0.073 0.000 1.187 999 M CA -2.089 53.186 55.300 -0.043 0.000 1.022 999 M CB 2.118 34.717 32.600 -0.001 0.000 1.629 999 M HN -0.313 nan 8.290 nan 0.000 0.461 1000 P HA 0.205 nan 4.420 nan 0.000 0.270 1000 P C -1.529 175.817 177.300 0.077 0.000 1.223 1000 P CA 0.144 63.138 63.100 -0.177 0.000 0.785 1000 P CB 0.062 31.472 31.700 -0.484 0.000 0.923 1001 F N -2.508 117.382 119.950 -0.099 0.000 2.604 1001 F HA 0.495 5.023 4.527 0.001 0.000 0.316 1001 F C -0.483 175.307 175.800 -0.016 0.000 1.136 1001 F CA -1.043 56.911 58.000 -0.076 0.000 0.989 1001 F CB 1.140 40.115 39.000 -0.041 0.000 1.258 1001 F HN 0.236 nan 8.300 nan 0.000 0.451 1002 T N 1.728 116.204 114.554 -0.129 0.000 2.899 1002 T HA 0.464 4.814 4.350 0.001 0.000 0.295 1002 T C 1.328 176.037 174.700 0.015 0.000 1.033 1002 T CA 0.182 62.203 62.100 -0.132 0.000 1.084 1002 T CB 1.291 70.071 68.868 -0.148 0.000 0.979 1002 T HN 1.103 nan 8.240 nan 0.000 0.532 1003 A N 2.437 125.313 122.820 0.094 0.000 2.194 1003 A HA -0.063 4.257 4.320 0.001 0.000 0.220 1003 A C 2.036 179.663 177.584 0.070 0.000 1.162 1003 A CA 1.949 54.034 52.037 0.080 0.000 0.674 1003 A CB -0.741 18.357 19.000 0.163 0.000 0.789 1003 A HN 0.984 nan 8.150 nan 0.000 0.470 1004 E N -1.793 118.460 120.200 0.089 0.000 2.299 1004 E HA 0.199 4.549 4.350 0.001 0.000 0.193 1004 E C 1.259 177.919 176.600 0.101 0.000 0.998 1004 E CA 0.618 57.074 56.400 0.093 0.000 0.851 1004 E CB -0.072 29.701 29.700 0.123 0.000 0.795 1004 E HN 0.708 nan 8.360 nan 0.000 0.492 1005 G N 0.412 109.297 108.800 0.142 0.000 2.179 1005 G HA2 -0.177 3.783 3.960 0.001 0.000 0.220 1005 G HA3 -0.177 3.783 3.960 0.001 0.000 0.220 1005 G C 0.179 175.162 174.900 0.139 0.000 0.990 1005 G CA 0.054 45.245 45.100 0.152 0.000 0.646 1005 G HN 0.146 nan 8.290 nan 0.000 0.517 1006 I N 1.176 121.836 120.570 0.150 0.000 2.575 1006 I HA 0.498 4.668 4.170 0.001 0.000 0.285 1006 I C 0.723 176.951 176.117 0.185 0.000 1.085 1006 I CA -0.499 60.904 61.300 0.172 0.000 1.403 1006 I CB 1.182 39.343 38.000 0.268 0.000 1.409 1006 I HN -0.115 nan 8.210 nan 0.000 0.557 1007 V N 7.363 127.382 119.914 0.176 0.000 2.628 1007 V HA 0.408 4.529 4.120 0.001 0.000 0.306 1007 V C -2.266 173.962 176.094 0.224 0.000 1.045 1007 V CA -1.692 60.706 62.300 0.162 0.000 0.905 1007 V CB 2.413 34.283 31.823 0.078 0.000 0.997 1007 V HN 0.635 nan 8.190 nan 0.000 0.436 1008 P HA 0.309 nan 4.420 nan 0.000 0.286 1008 P C -0.104 177.222 177.300 0.043 0.000 1.269 1008 P CA -0.280 62.949 63.100 0.216 0.000 0.787 1008 P CB 0.795 32.681 31.700 0.309 0.000 0.920 1009 D N 1.628 122.010 120.400 -0.029 0.000 2.224 1009 D HA 0.006 4.647 4.640 0.001 0.000 0.205 1009 D C 0.748 176.989 176.300 -0.098 0.000 0.965 1009 D CA 1.268 55.228 54.000 -0.066 0.000 0.852 1009 D CB 0.207 40.951 40.800 -0.094 0.000 0.947 1009 D HN 0.392 nan 8.370 nan 0.000 0.494 1010 L N -2.591 118.563 121.223 -0.116 0.000 2.612 1010 L HA 0.499 4.839 4.340 0.001 0.000 0.256 1010 L C -1.606 175.203 176.870 -0.103 0.000 0.949 1010 L CA -0.970 53.775 54.840 -0.158 0.000 0.867 1010 L CB 1.927 43.806 42.059 -0.299 0.000 1.417 1010 L HN -0.344 nan 8.230 nan 0.000 0.414 1011 I N 3.680 124.210 120.570 -0.068 0.000 2.389 1011 I HA 0.520 4.690 4.170 0.001 0.000 0.288 1011 I C -0.307 175.817 176.117 0.013 0.000 0.999 1011 I CA -0.627 60.676 61.300 0.005 0.000 1.129 1011 I CB 1.843 39.872 38.000 0.047 0.000 1.288 1011 I HN 0.585 nan 8.210 nan 0.000 0.444 1012 I N 2.261 122.859 120.570 0.046 0.000 2.460 1012 I HA 0.527 4.697 4.170 0.001 0.000 0.298 1012 I C -0.043 176.110 176.117 0.059 0.000 0.989 1012 I CA -0.628 60.709 61.300 0.062 0.000 1.173 1012 I CB 1.247 39.309 38.000 0.104 0.000 1.338 1012 I HN 0.418 nan 8.210 nan 0.000 0.456 1013 N N 6.526 125.256 118.700 0.050 0.000 2.442 1013 N HA 0.216 4.957 4.740 0.001 0.000 0.265 1013 N C -1.539 173.966 175.510 -0.008 0.000 1.138 1013 N CA -1.892 51.173 53.050 0.024 0.000 0.956 1013 N CB 1.181 39.699 38.487 0.051 0.000 1.067 1013 N HN 0.503 nan 8.380 nan 0.000 0.474 1014 P HA -0.137 nan 4.420 nan 0.000 0.226 1014 P C 0.687 177.965 177.300 -0.035 0.000 1.146 1014 P CA 1.074 64.130 63.100 -0.073 0.000 0.773 1014 P CB 0.234 31.875 31.700 -0.098 0.000 0.772 1015 H N 0.834 119.904 119.070 0.000 0.000 2.389 1015 H HA 0.088 4.644 4.556 0.000 0.000 0.299 1015 H C 1.282 176.596 175.328 -0.022 0.000 1.081 1015 H CA 1.001 57.043 56.048 -0.009 0.000 1.345 1015 H CB -0.719 29.042 29.762 -0.002 0.000 1.393 1015 H HN 0.096 nan 8.280 nan 0.000 0.520 1016 A N 1.014 123.894 122.820 0.101 0.000 3.033 1016 A HA 0.206 4.526 4.320 0.001 0.000 0.250 1016 A C 0.958 178.532 177.584 -0.017 0.000 1.633 1016 A CA 0.077 52.133 52.037 0.031 0.000 1.290 1016 A CB -0.720 18.293 19.000 0.023 0.000 1.048 1016 A HN 0.187 nan 8.150 nan 0.000 0.648 1017 I N -0.841 119.721 120.570 -0.012 0.000 3.814 1017 I HA 0.103 4.273 4.170 0.001 0.000 0.264 1017 I C -1.178 174.915 176.117 -0.041 0.000 1.145 1017 I CA 0.165 61.431 61.300 -0.057 0.000 1.375 1017 I CB -1.380 36.565 38.000 -0.091 0.000 1.638 1017 I HN 0.117 nan 8.210 nan 0.000 0.432 1018 P HA -0.008 nan 4.420 nan 0.000 0.222 1018 P C 1.842 179.135 177.300 -0.010 0.000 1.153 1018 P CA 1.234 64.326 63.100 -0.013 0.000 0.798 1018 P CB 0.266 31.968 31.700 0.004 0.000 0.796 1019 S N -0.365 115.330 115.700 -0.008 0.000 2.414 1019 S HA -0.061 4.409 4.470 0.001 0.000 0.227 1019 S C 1.880 176.473 174.600 -0.013 0.000 1.022 1019 S CA 0.627 58.819 58.200 -0.012 0.000 0.958 1019 S CB -0.310 62.879 63.200 -0.018 0.000 0.797 1019 S HN 0.082 nan 8.310 nan 0.000 0.493 1020 R N 0.006 120.497 120.500 -0.016 0.000 2.087 1020 R HA 0.365 4.705 4.340 0.001 0.000 0.216 1020 R C 0.590 176.890 176.300 -0.001 0.000 1.114 1020 R CA 0.491 56.583 56.100 -0.014 0.000 1.002 1020 R CB -0.303 29.980 30.300 -0.030 0.000 0.903 1020 R HN 0.402 nan 8.270 nan 0.000 0.445 1021 M N 1.377 120.969 119.600 -0.012 0.000 3.057 1021 M HA -0.118 4.362 4.480 0.001 0.000 0.241 1021 M C -0.421 175.873 176.300 -0.011 0.000 0.477 1021 M CA 0.535 55.828 55.300 -0.011 0.000 0.888 1021 M CB -1.160 31.443 32.600 0.004 0.000 3.189 1021 M HN 0.322 nan 8.290 nan 0.000 0.456 1022 T N -0.256 114.279 114.554 -0.032 0.000 3.005 1022 T HA 0.488 4.839 4.350 0.001 0.000 0.323 1022 T C 0.876 175.513 174.700 -0.104 0.000 1.131 1022 T CA -0.284 61.791 62.100 -0.041 0.000 0.977 1022 T CB 0.472 69.323 68.868 -0.028 0.000 1.055 1022 T HN 0.217 nan 8.240 nan 0.000 0.562 1023 V N 4.922 124.787 119.914 -0.082 0.000 2.407 1023 V HA 0.019 4.139 4.120 0.001 0.000 0.245 1023 V C 2.964 178.937 176.094 -0.202 0.000 1.041 1023 V CA 1.755 63.981 62.300 -0.124 0.000 1.040 1023 V CB -1.182 30.600 31.823 -0.068 0.000 0.671 1023 V HN 0.940 nan 8.190 nan 0.000 0.455 1024 A N -0.015 122.691 122.820 -0.190 0.000 1.915 1024 A HA -0.380 3.941 4.320 0.001 0.000 0.220 1024 A C 2.237 179.572 177.584 -0.414 0.000 1.198 1024 A CA 2.539 54.420 52.037 -0.260 0.000 0.647 1024 A CB -1.013 17.980 19.000 -0.011 0.000 0.825 1024 A HN 0.700 nan 8.150 nan 0.000 0.456 1025 H N 0.303 118.853 119.070 -0.866 0.000 2.352 1025 H HA -0.089 4.467 4.556 0.000 0.000 0.299 1025 H C 1.830 177.044 175.328 -0.189 0.000 1.097 1025 H CA 2.001 57.685 56.048 -0.607 0.000 1.311 1025 H CB -0.373 29.164 29.762 -0.376 0.000 1.377 1025 H HN 0.442 nan 8.280 nan 0.000 0.504 1026 L N -0.192 121.033 121.223 0.004 0.000 2.093 1026 L HA -0.139 4.201 4.340 0.001 0.000 0.208 1026 L C 2.791 179.625 176.870 -0.060 0.000 1.085 1026 L CA 0.951 55.752 54.840 -0.066 0.000 0.755 1026 L CB -0.384 41.501 42.059 -0.289 0.000 0.904 1026 L HN 0.224 nan 8.230 nan 0.000 0.435 1027 I N 0.397 120.842 120.570 -0.208 0.000 2.162 1027 I HA -0.292 3.878 4.170 0.001 0.000 0.238 1027 I C 2.627 178.649 176.117 -0.159 0.000 1.076 1027 I CA 1.440 62.546 61.300 -0.324 0.000 1.353 1027 I CB -0.329 37.192 38.000 -0.798 0.000 1.063 1027 I HN 0.307 nan 8.210 nan 0.000 0.408 1028 E N 0.656 120.820 120.200 -0.060 0.000 2.169 1028 E HA -0.350 4.000 4.350 0.001 0.000 0.202 1028 E C 2.267 178.914 176.600 0.078 0.000 1.016 1028 E CA 2.123 58.599 56.400 0.128 0.000 0.817 1028 E CB -0.709 29.119 29.700 0.212 0.000 0.736 1028 E HN 0.555 nan 8.360 nan 0.000 0.462 1029 C N -0.313 119.042 119.300 0.092 0.000 2.446 1029 C HA 0.001 4.462 4.460 0.001 0.000 0.277 1029 C C 2.515 177.508 174.990 0.004 0.000 1.275 1029 C CA 0.808 59.879 59.018 0.088 0.000 1.727 1029 C CB -1.128 26.774 27.740 0.271 0.000 2.010 1029 C HN 0.692 nan 8.230 nan 0.000 0.486 1030 L N 0.523 121.789 121.223 0.071 0.000 2.376 1030 L HA 0.104 4.444 4.340 0.001 0.000 0.219 1030 L C 1.890 178.731 176.870 -0.048 0.000 1.133 1030 L CA 1.375 56.212 54.840 -0.004 0.000 0.816 1030 L CB -0.698 41.414 42.059 0.087 0.000 0.933 1030 L HN 0.435 nan 8.230 nan 0.000 0.449 1031 L N -1.628 119.581 121.223 -0.023 0.000 2.102 1031 L HA 0.032 4.372 4.340 0.001 0.000 0.202 1031 L C 2.297 179.151 176.870 -0.026 0.000 1.076 1031 L CA 1.789 56.629 54.840 0.001 0.000 0.761 1031 L CB -0.920 41.194 42.059 0.093 0.000 0.921 1031 L HN 0.143 nan 8.230 nan 0.000 0.444 1032 S N -0.079 115.609 115.700 -0.019 0.000 2.419 1032 S HA -0.196 4.274 4.470 0.001 0.000 0.233 1032 S C 1.840 176.386 174.600 -0.090 0.000 1.016 1032 S CA 1.390 59.568 58.200 -0.037 0.000 0.974 1032 S CB -0.356 62.840 63.200 -0.007 0.000 0.786 1032 S HN 0.445 nan 8.310 nan 0.000 0.492 1033 K N 1.249 121.567 120.400 -0.136 0.000 1.969 1033 K HA -0.095 4.226 4.320 0.001 0.000 0.216 1033 K C 1.930 178.417 176.600 -0.188 0.000 1.048 1033 K CA 1.602 57.769 56.287 -0.200 0.000 0.948 1033 K CB -0.521 31.811 32.500 -0.280 0.000 0.726 1033 K HN 0.109 nan 8.250 nan 0.000 0.442 1034 V N 1.332 121.138 119.914 -0.180 0.000 2.546 1034 V HA -0.304 3.816 4.120 0.001 0.000 0.254 1034 V C 2.305 178.284 176.094 -0.191 0.000 1.076 1034 V CA 2.006 64.177 62.300 -0.216 0.000 1.087 1034 V CB -0.714 31.029 31.823 -0.134 0.000 0.674 1034 V HN 0.555 nan 8.190 nan 0.000 0.470 1035 A N -0.189 122.562 122.820 -0.115 0.000 1.855 1035 A HA -0.088 4.232 4.320 0.001 0.000 0.215 1035 A C 2.474 180.010 177.584 -0.080 0.000 1.191 1035 A CA 1.955 53.944 52.037 -0.079 0.000 0.613 1035 A CB -0.889 18.080 19.000 -0.052 0.000 0.829 1035 A HN 0.576 nan 8.150 nan 0.000 0.442 1036 A N -0.363 122.405 122.820 -0.086 0.000 1.892 1036 A HA -0.120 4.200 4.320 0.001 0.000 0.218 1036 A C 2.241 179.783 177.584 -0.069 0.000 1.188 1036 A CA 1.684 53.679 52.037 -0.070 0.000 0.631 1036 A CB -0.682 18.271 19.000 -0.078 0.000 0.822 1036 A HN 0.480 nan 8.150 nan 0.000 0.447 1037 L N 0.071 121.221 121.223 -0.122 0.000 1.976 1037 L HA -0.177 4.163 4.340 0.001 0.000 0.209 1037 L C 2.929 179.755 176.870 -0.073 0.000 1.071 1037 L CA 1.874 56.642 54.840 -0.119 0.000 0.746 1037 L CB -0.368 41.524 42.059 -0.278 0.000 0.890 1037 L HN 0.595 nan 8.230 nan 0.000 0.432 1038 S N -0.815 114.791 115.700 -0.156 0.000 2.607 1038 S HA 0.080 4.550 4.470 0.001 0.000 0.224 1038 S C 1.468 176.085 174.600 0.027 0.000 0.969 1038 S CA 0.369 58.584 58.200 0.024 0.000 0.927 1038 S CB 0.131 63.351 63.200 0.032 0.000 0.772 1038 S HN 0.614 nan 8.310 nan 0.000 0.533 1039 G N 0.870 109.665 108.800 -0.008 0.000 2.153 1039 G HA2 -0.268 3.692 3.960 0.001 0.000 0.252 1039 G HA3 -0.268 3.692 3.960 0.001 0.000 0.252 1039 G C 0.012 174.909 174.900 -0.005 0.000 0.994 1039 G CA 0.269 45.368 45.100 -0.001 0.000 0.698 1039 G HN 0.563 nan 8.290 nan 0.000 0.521 1040 N N -0.194 118.498 118.700 -0.013 0.000 2.566 1040 N HA 0.573 5.314 4.740 0.001 0.000 0.299 1040 N C 0.148 175.643 175.510 -0.026 0.000 1.277 1040 N CA -0.437 52.605 53.050 -0.013 0.000 0.965 1040 N CB 0.527 39.011 38.487 -0.005 0.000 1.142 1040 N HN 0.404 nan 8.380 nan 0.000 0.596 1041 E N -0.978 119.203 120.200 -0.032 0.000 2.222 1041 E HA 0.564 4.915 4.350 0.001 0.000 0.267 1041 E C -0.666 175.903 176.600 -0.051 0.000 0.963 1041 E CA -0.988 55.383 56.400 -0.048 0.000 0.837 1041 E CB 1.029 30.692 29.700 -0.061 0.000 1.183 1041 E HN 0.609 nan 8.360 nan 0.000 0.403 1042 G N 1.731 110.493 108.800 -0.063 0.000 2.322 1042 G HA2 0.171 4.131 3.960 0.001 0.000 0.309 1042 G HA3 0.171 4.131 3.960 0.001 0.000 0.309 1042 G C -0.733 174.108 174.900 -0.098 0.000 1.121 1042 G CA -0.390 44.678 45.100 -0.053 0.000 0.886 1042 G HN 0.472 nan 8.290 nan 0.000 0.447 1043 D N 2.068 122.419 120.400 -0.081 0.000 2.638 1043 D HA 0.403 5.043 4.640 0.001 0.000 0.245 1043 D C 1.398 177.545 176.300 -0.255 0.000 1.176 1043 D CA -0.237 53.675 54.000 -0.146 0.000 0.996 1043 D CB 0.606 41.354 40.800 -0.087 0.000 1.012 1043 D HN 0.336 nan 8.370 nan 0.000 0.515 1044 A N 1.342 123.900 122.820 -0.436 0.000 2.235 1044 A HA 0.054 4.375 4.320 0.001 0.000 0.208 1044 A C 1.129 178.112 177.584 -1.001 0.000 1.172 1044 A CA -0.116 51.272 52.037 -1.082 0.000 0.786 1044 A CB -0.266 18.286 19.000 -0.747 0.000 0.804 1044 A HN 0.375 nan 8.150 nan 0.000 0.479 1045 S N 1.701 117.110 115.700 -0.485 0.000 2.643 1045 S HA 0.036 4.506 4.470 0.001 0.000 0.310 1045 S C -1.374 173.115 174.600 -0.186 0.000 1.253 1045 S CA -0.072 57.982 58.200 -0.244 0.000 1.047 1045 S CB 0.334 63.467 63.200 -0.112 0.000 0.767 1045 S HN 0.317 nan 8.310 nan 0.000 0.498 1046 P HA -0.049 nan 4.420 nan 0.000 0.210 1046 P C -0.106 177.032 177.300 -0.269 0.000 1.189 1046 P CA 1.148 64.087 63.100 -0.269 0.000 0.920 1046 P CB 0.090 31.550 31.700 -0.401 0.000 0.782 1047 F N -0.188 119.875 119.950 0.189 0.000 2.404 1047 F HA 0.495 5.023 4.527 0.001 0.000 0.354 1047 F C 0.610 176.540 175.800 0.217 0.000 1.122 1047 F CA -0.257 57.841 58.000 0.164 0.000 1.080 1047 F CB 0.557 39.606 39.000 0.082 0.000 1.131 1047 F HN -0.125 nan 8.300 nan 0.000 0.471 1048 T N -1.456 113.294 114.554 0.327 0.000 2.830 1048 T HA 0.233 4.583 4.350 0.001 0.000 0.322 1048 T C -0.919 173.920 174.700 0.230 0.000 1.501 1048 T CA -1.038 61.227 62.100 0.275 0.000 1.036 1048 T CB 1.702 70.703 68.868 0.222 0.000 1.379 1048 T HN 0.230 nan 8.240 nan 0.000 0.493 1049 D N 1.111 121.626 120.400 0.192 0.000 3.085 1049 D HA 0.336 4.977 4.640 0.001 0.000 0.243 1049 D C -0.397 175.992 176.300 0.149 0.000 1.232 1049 D CA 0.020 54.116 54.000 0.159 0.000 0.913 1049 D CB -0.352 40.526 40.800 0.131 0.000 1.108 1049 D HN 0.457 nan 8.370 nan 0.000 0.468 1050 I N 1.045 121.723 120.570 0.181 0.000 2.312 1050 I HA 0.117 4.288 4.170 0.001 0.000 0.290 1050 I C 0.152 176.358 176.117 0.149 0.000 1.008 1050 I CA -0.193 61.211 61.300 0.174 0.000 1.226 1050 I CB 1.256 39.401 38.000 0.241 0.000 1.371 1050 I HN -0.162 nan 8.210 nan 0.000 0.468 1051 T N 5.140 119.752 114.554 0.096 0.000 2.859 1051 T HA 0.208 4.558 4.350 0.001 0.000 0.281 1051 T C 1.200 175.905 174.700 0.009 0.000 1.005 1051 T CA -0.714 61.422 62.100 0.060 0.000 1.025 1051 T CB 2.266 71.171 68.868 0.061 0.000 0.977 1051 T HN 0.290 nan 8.240 nan 0.000 0.458 1052 V N 1.169 121.062 119.914 -0.035 0.000 3.141 1052 V HA -0.074 4.047 4.120 0.001 0.000 0.265 1052 V C 2.301 178.388 176.094 -0.012 0.000 1.126 1052 V CA 1.205 63.466 62.300 -0.064 0.000 1.141 1052 V CB -0.782 30.973 31.823 -0.114 0.000 0.743 1052 V HN 0.784 nan 8.190 nan 0.000 0.492 1053 E N 1.556 121.764 120.200 0.012 0.000 2.028 1053 E HA -0.080 4.270 4.350 0.001 0.000 0.190 1053 E C 2.402 179.024 176.600 0.036 0.000 0.984 1053 E CA 1.443 57.860 56.400 0.028 0.000 0.800 1053 E CB -0.571 29.150 29.700 0.035 0.000 0.758 1053 E HN 0.583 nan 8.360 nan 0.000 0.448 1054 G N 1.303 110.128 108.800 0.041 0.000 2.559 1054 G HA2 -0.154 3.807 3.960 0.001 0.000 0.216 1054 G HA3 -0.154 3.807 3.960 0.001 0.000 0.216 1054 G C 1.524 176.453 174.900 0.049 0.000 1.126 1054 G CA 0.136 45.265 45.100 0.049 0.000 0.778 1054 G HN 0.081 nan 8.290 nan 0.000 0.543 1055 I N 1.539 122.130 120.570 0.035 0.000 2.141 1055 I HA -0.070 4.100 4.170 0.001 0.000 0.236 1055 I C 2.652 178.793 176.117 0.041 0.000 1.071 1055 I CA 1.167 62.484 61.300 0.029 0.000 1.345 1055 I CB -1.174 36.824 38.000 -0.003 0.000 1.066 1055 I HN 0.086 nan 8.210 nan 0.000 0.406 1056 S N 0.638 116.361 115.700 0.037 0.000 2.547 1056 S HA -0.090 4.381 4.470 0.001 0.000 0.235 1056 S C 1.673 176.316 174.600 0.071 0.000 0.980 1056 S CA 0.633 58.866 58.200 0.054 0.000 0.941 1056 S CB -0.246 62.984 63.200 0.052 0.000 0.763 1056 S HN 0.400 nan 8.310 nan 0.000 0.532 1057 K N 0.778 121.217 120.400 0.065 0.000 2.365 1057 K HA 0.139 4.459 4.320 0.001 0.000 0.199 1057 K C 1.422 178.075 176.600 0.087 0.000 1.045 1057 K CA 0.573 56.901 56.287 0.068 0.000 0.962 1057 K CB -0.117 32.417 32.500 0.057 0.000 0.759 1057 K HN 0.347 nan 8.250 nan 0.000 0.469 1058 L N -0.391 120.894 121.223 0.104 0.000 2.189 1058 L HA -0.020 4.320 4.340 0.001 0.000 0.199 1058 L C 2.066 179.080 176.870 0.240 0.000 1.074 1058 L CA 0.170 55.106 54.840 0.161 0.000 0.783 1058 L CB -0.407 41.732 42.059 0.133 0.000 0.955 1058 L HN 0.034 nan 8.230 nan 0.000 0.460 1059 L N 0.660 121.978 121.223 0.159 0.000 2.129 1059 L HA -0.216 4.124 4.340 0.001 0.000 0.212 1059 L C 2.733 179.759 176.870 0.259 0.000 1.087 1059 L CA 1.640 56.589 54.840 0.183 0.000 0.757 1059 L CB -0.498 41.606 42.059 0.076 0.000 0.896 1059 L HN 0.174 nan 8.230 nan 0.000 0.434 1060 R N 0.343 120.951 120.500 0.180 0.000 2.073 1060 R HA -0.165 4.176 4.340 0.001 0.000 0.234 1060 R C 1.991 178.359 176.300 0.113 0.000 1.134 1060 R CA 1.960 58.144 56.100 0.141 0.000 0.952 1060 R CB -0.545 29.814 30.300 0.098 0.000 0.850 1060 R HN 0.513 nan 8.270 nan 0.000 0.433 1061 E N -0.610 119.651 120.200 0.101 0.000 2.516 1061 E HA -0.110 4.240 4.350 0.001 0.000 0.199 1061 E C 0.346 176.899 176.600 -0.077 0.000 1.069 1061 E CA 0.364 56.772 56.400 0.013 0.000 0.876 1061 E CB 0.036 29.732 29.700 -0.007 0.000 0.843 1061 E HN 0.491 nan 8.360 nan 0.000 0.530 1062 H N -0.476 118.646 119.070 0.087 0.000 2.469 1062 H HA 0.164 4.721 4.556 0.001 0.000 0.286 1062 H C 0.698 176.073 175.328 0.077 0.000 1.106 1062 H CA 0.379 56.499 56.048 0.121 0.000 1.055 1062 H CB 0.685 30.566 29.762 0.197 0.000 1.618 1062 H HN 0.231 nan 8.280 nan 0.000 0.559 1063 G N 1.188 110.008 108.800 0.032 0.000 2.314 1063 G HA2 -0.295 3.665 3.960 0.001 0.000 0.292 1063 G HA3 -0.295 3.665 3.960 0.001 0.000 0.292 1063 G C -0.628 174.040 174.900 -0.387 0.000 1.059 1063 G CA 0.339 45.342 45.100 -0.162 0.000 0.982 1063 G HN 0.447 nan 8.290 nan 0.000 0.505 1064 Y N -2.138 118.208 120.300 0.077 0.000 2.615 1064 Y HA 0.552 5.102 4.550 0.000 0.000 0.341 1064 Y C 0.183 176.126 175.900 0.072 0.000 1.089 1064 Y CA -1.250 56.892 58.100 0.070 0.000 1.049 1064 Y CB 1.390 39.890 38.460 0.066 0.000 1.296 1064 Y HN 0.168 nan 8.280 nan 0.000 0.470 1065 Q N 1.051 121.035 119.800 0.306 0.000 2.281 1065 Q HA 0.126 4.466 4.340 0.001 0.000 0.267 1065 Q C 0.671 176.790 176.000 0.199 0.000 1.053 1065 Q CA 0.375 56.314 55.803 0.227 0.000 0.905 1065 Q CB 1.204 30.099 28.738 0.261 0.000 1.195 1065 Q HN 0.663 nan 8.270 nan 0.000 0.398 1066 S N 4.311 120.110 115.700 0.166 0.000 2.641 1066 S HA -0.034 4.436 4.470 0.001 0.000 0.239 1066 S C 0.519 175.185 174.600 0.110 0.000 0.972 1066 S CA 0.388 58.665 58.200 0.128 0.000 0.954 1066 S CB 0.032 63.297 63.200 0.108 0.000 0.767 1066 S HN 0.654 nan 8.310 nan 0.000 0.539 1067 R N -0.490 120.091 120.500 0.134 0.000 2.549 1067 R HA 0.328 4.668 4.340 0.001 0.000 0.344 1067 R C 1.406 177.743 176.300 0.061 0.000 0.979 1067 R CA 0.477 56.636 56.100 0.099 0.000 1.140 1067 R CB 0.016 30.402 30.300 0.145 0.000 1.377 1067 R HN 0.536 nan 8.270 nan 0.000 0.541 1068 G N 1.059 109.851 108.800 -0.014 0.000 2.176 1068 G HA2 -0.262 3.699 3.960 0.001 0.000 0.232 1068 G HA3 -0.262 3.699 3.960 0.001 0.000 0.232 1068 G C 0.017 174.743 174.900 -0.290 0.000 0.986 1068 G CA -0.404 44.524 45.100 -0.287 0.000 0.643 1068 G HN 0.217 nan 8.290 nan 0.000 0.522 1069 F N 1.288 121.306 119.950 0.114 0.000 2.429 1069 F HA 0.566 5.093 4.527 0.000 0.000 0.348 1069 F C 0.978 176.811 175.800 0.054 0.000 1.109 1069 F CA 0.113 58.175 58.000 0.103 0.000 1.232 1069 F CB 0.838 39.904 39.000 0.110 0.000 1.157 1069 F HN 0.012 nan 8.300 nan 0.000 0.564 1070 E N 1.869 122.204 120.200 0.226 0.000 2.281 1070 E HA 0.248 4.598 4.350 0.001 0.000 0.266 1070 E C -1.262 175.315 176.600 -0.038 0.000 0.893 1070 E CA -0.764 55.685 56.400 0.081 0.000 0.798 1070 E CB 2.167 31.878 29.700 0.019 0.000 1.245 1070 E HN 0.291 nan 8.360 nan 0.000 0.410 1071 V N 4.099 123.974 119.914 -0.066 0.000 2.644 1071 V HA -0.127 3.994 4.120 0.001 0.000 0.303 1071 V C 0.522 176.426 176.094 -0.316 0.000 1.058 1071 V CA 1.038 63.218 62.300 -0.199 0.000 1.228 1071 V CB -0.779 30.924 31.823 -0.200 0.000 0.861 1071 V HN 0.686 nan 8.190 nan 0.000 0.484 1072 M N 4.361 123.725 119.600 -0.394 0.000 2.821 1072 M HA 0.625 5.105 4.480 0.001 0.000 0.304 1072 M C -1.302 174.613 176.300 -0.642 0.000 1.233 1072 M CA -0.687 54.353 55.300 -0.432 0.000 0.851 1072 M CB 2.497 34.908 32.600 -0.315 0.000 1.723 1072 M HN 0.532 nan 8.290 nan 0.000 0.493 1073 Y N -0.098 119.877 120.300 -0.542 0.000 2.425 1073 Y HA 0.324 4.874 4.550 0.000 0.000 0.344 1073 Y C 0.234 176.082 175.900 -0.087 0.000 0.969 1073 Y CA -1.064 56.774 58.100 -0.436 0.000 1.052 1073 Y CB 0.912 38.875 38.460 -0.829 0.000 1.215 1073 Y HN 0.607 nan 8.280 nan 0.000 0.451 1074 N N 0.809 119.655 118.700 0.244 0.000 2.307 1074 N HA -0.045 4.695 4.740 0.001 0.000 0.230 1074 N C 0.967 176.726 175.510 0.416 0.000 1.297 1074 N CA 1.024 54.300 53.050 0.377 0.000 0.884 1074 N CB 1.246 39.903 38.487 0.283 0.000 1.115 1074 N HN 1.017 nan 8.380 nan 0.000 0.436 1075 G N 1.046 110.038 108.800 0.319 0.000 2.439 1075 G HA2 -0.155 3.805 3.960 0.001 0.000 0.212 1075 G HA3 -0.155 3.805 3.960 0.001 0.000 0.212 1075 G C 1.191 176.020 174.900 -0.118 0.000 1.199 1075 G CA 0.283 45.401 45.100 0.031 0.000 0.807 1075 G HN 0.775 nan 8.290 nan 0.000 0.537 1076 H N -0.215 118.910 119.070 0.092 0.000 2.457 1076 H HA -0.040 4.516 4.556 0.000 0.000 0.297 1076 H C 2.164 177.514 175.328 0.036 0.000 1.092 1076 H CA 1.619 57.679 56.048 0.019 0.000 1.309 1076 H CB -0.032 29.713 29.762 -0.029 0.000 1.382 1076 H HN 0.409 nan 8.280 nan 0.000 0.535 1077 T N -1.920 112.740 114.554 0.178 0.000 2.980 1077 T HA 0.265 4.616 4.350 0.001 0.000 0.252 1077 T C 1.404 176.198 174.700 0.157 0.000 0.962 1077 T CA 0.864 63.049 62.100 0.142 0.000 0.932 1077 T CB 0.026 68.970 68.868 0.127 0.000 1.188 1077 T HN 0.570 nan 8.240 nan 0.000 0.500 1078 G N 2.498 111.441 108.800 0.238 0.000 2.225 1078 G HA2 -0.262 3.698 3.960 0.001 0.000 0.267 1078 G HA3 -0.262 3.698 3.960 0.001 0.000 0.267 1078 G C -0.027 175.049 174.900 0.294 0.000 1.024 1078 G CA 0.814 46.116 45.100 0.336 0.000 0.784 1078 G HN 0.696 nan 8.290 nan 0.000 0.507 1079 K N 0.591 121.126 120.400 0.225 0.000 2.234 1079 K HA 0.402 4.722 4.320 0.001 0.000 0.277 1079 K C 0.830 177.503 176.600 0.121 0.000 1.038 1079 K CA -0.858 55.528 56.287 0.164 0.000 0.888 1079 K CB 0.392 32.951 32.500 0.099 0.000 1.091 1079 K HN 0.125 nan 8.250 nan 0.000 0.467 1080 K N 4.732 125.183 120.400 0.085 0.000 2.401 1080 K HA -0.118 4.202 4.320 0.001 0.000 0.267 1080 K C -0.227 176.253 176.600 -0.199 0.000 1.140 1080 K CA 0.244 56.380 56.287 -0.252 0.000 1.199 1080 K CB 0.135 32.516 32.500 -0.197 0.000 0.822 1080 K HN 0.622 nan 8.250 nan 0.000 0.488 1081 L N 5.968 127.037 121.223 -0.256 0.000 2.477 1081 L HA -0.090 4.251 4.340 0.001 0.000 0.272 1081 L C 1.855 178.642 176.870 -0.138 0.000 1.157 1081 L CA -0.212 54.547 54.840 -0.136 0.000 0.889 1081 L CB 0.597 42.592 42.059 -0.105 0.000 1.158 1081 L HN 0.808 nan 8.230 nan 0.000 0.473 1082 M N 2.934 122.484 119.600 -0.083 0.000 2.108 1082 M HA -0.094 4.386 4.480 0.001 0.000 0.261 1082 M C 0.794 177.040 176.300 -0.090 0.000 1.066 1082 M CA 1.276 56.529 55.300 -0.078 0.000 1.107 1082 M CB -0.497 32.073 32.600 -0.049 0.000 1.356 1082 M HN 0.649 nan 8.290 nan 0.000 0.406 1083 A N 0.643 123.416 122.820 -0.078 0.000 2.317 1083 A HA 0.514 4.834 4.320 0.001 0.000 0.327 1083 A C -0.319 177.211 177.584 -0.090 0.000 1.178 1083 A CA -0.698 51.286 52.037 -0.089 0.000 0.817 1083 A CB 0.591 19.555 19.000 -0.061 0.000 1.189 1083 A HN 0.407 nan 8.150 nan 0.000 0.489 1084 Q N 0.371 120.092 119.800 -0.132 0.000 2.417 1084 Q HA 0.583 4.924 4.340 0.001 0.000 0.241 1084 Q C -0.683 175.370 176.000 0.088 0.000 1.008 1084 Q CA 0.631 56.389 55.803 -0.075 0.000 0.901 1084 Q CB 0.680 29.333 28.738 -0.142 0.000 1.259 1084 Q HN 0.617 nan 8.270 nan 0.000 0.489 1085 I N 1.029 121.734 120.570 0.224 0.000 2.533 1085 I HA 0.280 4.450 4.170 0.001 0.000 0.290 1085 I C -0.970 175.395 176.117 0.414 0.000 1.056 1085 I CA -0.956 60.532 61.300 0.313 0.000 1.057 1085 I CB 1.270 39.345 38.000 0.125 0.000 1.240 1085 I HN 0.509 nan 8.210 nan 0.000 0.423 1086 F N 7.766 127.860 119.950 0.240 0.000 2.504 1086 F HA 0.418 4.946 4.527 0.000 0.000 0.369 1086 F C -0.748 175.137 175.800 0.142 0.000 1.082 1086 F CA 0.084 58.069 58.000 -0.026 0.000 1.216 1086 F CB 0.354 39.188 39.000 -0.277 0.000 1.108 1086 F HN 0.339 nan 8.300 nan 0.000 0.554 1087 F N 5.802 125.471 119.950 -0.468 0.000 2.639 1087 F HA 0.630 5.157 4.527 0.000 0.000 0.326 1087 F C -0.849 174.719 175.800 -0.386 0.000 1.150 1087 F CA -0.206 57.634 58.000 -0.267 0.000 1.057 1087 F CB 0.935 39.864 39.000 -0.118 0.000 1.300 1087 F HN 0.739 nan 8.300 nan 0.000 0.486 1088 G N 3.925 112.290 108.800 -0.725 0.000 2.554 1088 G HA2 0.579 4.540 3.960 0.001 0.000 0.306 1088 G HA3 0.579 4.540 3.960 0.001 0.000 0.306 1088 G C -3.592 171.047 174.900 -0.435 0.000 1.320 1088 G CA -1.335 43.395 45.100 -0.618 0.000 0.800 1088 G HN 0.319 nan 8.290 nan 0.000 0.481 1089 P HA 0.450 nan 4.420 nan 0.000 0.282 1089 P C -0.808 176.473 177.300 -0.032 0.000 1.262 1089 P CA 0.067 63.081 63.100 -0.143 0.000 0.773 1089 P CB 1.418 33.051 31.700 -0.112 0.000 0.879 1090 T N 3.161 117.754 114.554 0.066 0.000 3.143 1090 T HA 0.152 4.502 4.350 0.001 0.000 0.312 1090 T C -0.999 173.866 174.700 0.276 0.000 0.986 1090 T CA -0.339 61.853 62.100 0.154 0.000 1.024 1090 T CB 0.060 69.042 68.868 0.189 0.000 1.030 1090 T HN 0.150 nan 8.240 nan 0.000 0.448 1091 Y N 3.617 123.963 120.300 0.078 0.000 2.802 1091 Y HA 0.153 4.703 4.550 0.001 0.000 0.333 1091 Y C -0.780 175.194 175.900 0.124 0.000 1.244 1091 Y CA 0.360 58.530 58.100 0.116 0.000 1.558 1091 Y CB 0.004 38.494 38.460 0.051 0.000 1.233 1091 Y HN 0.564 nan 8.280 nan 0.000 0.547 1092 Y N 4.783 125.019 120.300 -0.107 0.000 2.364 1092 Y HA 0.321 4.871 4.550 0.001 0.000 0.340 1092 Y C -0.075 175.785 175.900 -0.066 0.000 0.975 1092 Y CA -0.881 57.229 58.100 0.016 0.000 1.089 1092 Y CB 1.351 39.935 38.460 0.206 0.000 1.192 1092 Y HN 0.506 nan 8.280 nan 0.000 0.454 1093 Q N 2.951 122.769 119.800 0.031 0.000 2.212 1093 Q HA 0.470 4.810 4.340 0.001 0.000 0.238 1093 Q C -0.581 175.335 176.000 -0.140 0.000 0.955 1093 Q CA -1.090 54.701 55.803 -0.019 0.000 0.906 1093 Q CB 1.831 30.580 28.738 0.018 0.000 1.215 1093 Q HN 0.537 nan 8.270 nan 0.000 0.478 1094 R N 1.809 122.172 120.500 -0.230 0.000 2.402 1094 R HA 0.306 4.646 4.340 0.001 0.000 0.290 1094 R C -0.748 175.329 176.300 -0.372 0.000 1.321 1094 R CA -0.231 55.525 56.100 -0.574 0.000 1.283 1094 R CB 0.162 30.113 30.300 -0.582 0.000 1.111 1094 R HN 0.597 nan 8.270 nan 0.000 0.578 1095 L N 4.200 125.241 121.223 -0.303 0.000 2.483 1095 L HA 0.184 4.524 4.340 0.001 0.000 0.275 1095 L C 1.163 177.968 176.870 -0.109 0.000 1.220 1095 L CA -0.237 54.548 54.840 -0.091 0.000 0.833 1095 L CB 0.114 42.180 42.059 0.012 0.000 1.102 1095 L HN 0.576 nan 8.230 nan 0.000 0.490 1096 R N 0.639 121.103 120.500 -0.060 0.000 3.372 1096 R HA 0.131 4.471 4.340 0.001 0.000 0.245 1096 R C -0.555 175.603 176.300 -0.237 0.000 1.061 1096 R CA -0.534 55.461 56.100 -0.175 0.000 1.113 1096 R CB -0.168 29.922 30.300 -0.351 0.000 0.921 1096 R HN 0.682 nan 8.270 nan 0.000 0.485 1097 H N -1.283 117.756 119.070 -0.052 0.000 3.741 1097 H HA -0.103 4.453 4.556 0.000 0.000 0.348 1097 H C -1.102 174.195 175.328 -0.051 0.000 0.980 1097 H CA 0.780 56.798 56.048 -0.049 0.000 1.058 1097 H CB -1.278 28.457 29.762 -0.045 0.000 1.445 1097 H HN 0.520 nan 8.280 nan 0.000 0.364 1098 M N 2.435 122.060 119.600 0.043 0.000 2.327 1098 M HA 0.228 4.708 4.480 0.001 0.000 0.298 1098 M C 1.904 178.216 176.300 0.019 0.000 1.065 1098 M CA -0.799 54.512 55.300 0.018 0.000 0.916 1098 M CB 2.626 35.211 32.600 -0.024 0.000 1.630 1098 M HN 0.222 nan 8.290 nan 0.000 0.442 1099 V N -0.819 119.113 119.914 0.031 0.000 2.277 1099 V HA -0.300 3.820 4.120 0.001 0.000 0.255 1099 V C 1.303 177.406 176.094 0.015 0.000 1.074 1099 V CA 2.200 64.517 62.300 0.029 0.000 1.058 1099 V CB -0.762 31.079 31.823 0.030 0.000 0.656 1099 V HN 0.889 nan 8.190 nan 0.000 0.449 1100 D N 0.158 120.555 120.400 -0.005 0.000 2.384 1100 D HA -0.096 4.545 4.640 0.001 0.000 0.222 1100 D C 1.262 177.545 176.300 -0.030 0.000 0.976 1100 D CA 1.334 55.322 54.000 -0.019 0.000 0.915 1100 D CB -0.112 40.663 40.800 -0.041 0.000 0.896 1100 D HN 0.626 nan 8.370 nan 0.000 0.523 1101 D N -0.693 119.691 120.400 -0.027 0.000 2.398 1101 D HA 0.046 4.687 4.640 0.001 0.000 0.210 1101 D C 1.687 177.990 176.300 0.005 0.000 1.094 1101 D CA 0.078 54.061 54.000 -0.029 0.000 0.839 1101 D CB 0.612 41.382 40.800 -0.049 0.000 0.963 1101 D HN 0.101 nan 8.370 nan 0.000 0.506 1102 K N 0.015 120.430 120.400 0.025 0.000 2.367 1102 K HA 0.189 4.509 4.320 0.001 0.000 0.198 1102 K C 1.093 177.732 176.600 0.065 0.000 1.132 1102 K CA -0.230 56.083 56.287 0.043 0.000 0.941 1102 K CB 1.236 33.766 32.500 0.049 0.000 1.052 1102 K HN 0.067 nan 8.250 nan 0.000 0.507 1103 I N 3.230 123.836 120.570 0.060 0.000 2.989 1103 I HA -0.207 3.963 4.170 0.001 0.000 0.311 1103 I C -0.118 176.089 176.117 0.149 0.000 1.221 1103 I CA 1.268 62.615 61.300 0.079 0.000 1.449 1103 I CB -0.327 37.702 38.000 0.048 0.000 1.325 1103 I HN 0.299 nan 8.210 nan 0.000 0.557 1104 H N 5.102 124.179 119.070 0.010 0.000 3.140 1104 H HA 0.686 5.242 4.556 -0.000 0.000 0.336 1104 H C -1.717 173.619 175.328 0.013 0.000 1.142 1104 H CA -0.507 55.547 56.048 0.011 0.000 1.308 1104 H CB 1.290 31.060 29.762 0.012 0.000 1.970 1104 H HN 0.675 nan 8.280 nan 0.000 0.521 1105 A N 4.514 127.121 122.820 -0.354 0.000 2.556 1105 A HA 0.860 5.180 4.320 0.001 0.000 0.294 1105 A C -1.366 176.005 177.584 -0.356 0.000 1.091 1105 A CA -0.756 51.050 52.037 -0.386 0.000 0.704 1105 A CB 1.977 20.895 19.000 -0.137 0.000 1.300 1105 A HN 0.804 nan 8.150 nan 0.000 0.406 1106 R N 0.417 120.767 120.500 -0.250 0.000 2.536 1106 R HA 0.622 4.962 4.340 0.001 0.000 0.269 1106 R C -1.802 174.459 176.300 -0.065 0.000 1.113 1106 R CA -0.053 55.989 56.100 -0.096 0.000 0.948 1106 R CB 1.768 32.045 30.300 -0.038 0.000 1.237 1106 R HN 1.462 nan 8.270 nan 0.000 0.441 1107 A N 4.816 127.615 122.820 -0.035 0.000 2.709 1107 A HA 0.535 4.855 4.320 0.001 0.000 0.332 1107 A C -0.148 177.423 177.584 -0.021 0.000 1.241 1107 A CA -0.325 51.694 52.037 -0.031 0.000 0.782 1107 A CB 0.385 19.369 19.000 -0.027 0.000 1.109 1107 A HN 1.039 nan 8.150 nan 0.000 0.472 1108 R N 0.107 120.595 120.500 -0.020 0.000 4.032 1108 R HA 0.060 4.401 4.340 0.001 0.000 0.424 1108 R C 0.502 176.797 176.300 -0.009 0.000 0.241 1108 R CA 1.328 57.418 56.100 -0.017 0.000 1.347 1108 R CB -0.889 29.399 30.300 -0.019 0.000 1.148 1108 R HN 2.557 nan 8.270 nan 0.000 0.489 1109 G N 0.033 108.826 108.800 -0.012 0.000 2.178 1109 G HA2 -0.006 3.954 3.960 0.001 0.000 0.147 1109 G HA3 -0.006 3.954 3.960 0.001 0.000 0.147 1109 G C -2.706 172.186 174.900 -0.012 0.000 1.245 1109 G CA -0.444 44.650 45.100 -0.011 0.000 1.275 1109 G HN 0.591 nan 8.290 nan 0.000 0.491 1110 P HA 0.428 nan 4.420 nan 0.000 0.260 1110 P C -0.063 177.228 177.300 -0.014 0.000 1.207 1110 P CA 0.390 63.485 63.100 -0.008 0.000 0.780 1110 P CB 0.238 31.938 31.700 0.001 0.000 0.789 1111 M N 1.939 121.522 119.600 -0.028 0.000 2.471 1111 M HA 0.310 4.790 4.480 0.001 0.000 0.309 1111 M C 0.715 176.991 176.300 -0.041 0.000 1.186 1111 M CA -0.680 54.596 55.300 -0.040 0.000 1.008 1111 M CB 0.716 33.277 32.600 -0.064 0.000 1.551 1111 M HN 0.335 nan 8.290 nan 0.000 0.477 1112 Q N -0.115 119.658 119.800 -0.044 0.000 2.316 1112 Q HA 0.289 4.629 4.340 0.001 0.000 0.215 1112 Q C 1.085 177.050 176.000 -0.059 0.000 1.020 1112 Q CA -0.543 55.236 55.803 -0.039 0.000 0.970 1112 Q CB 1.263 29.987 28.738 -0.024 0.000 1.187 1112 Q HN 0.539 nan 8.270 nan 0.000 0.546 1113 V N 0.457 120.346 119.914 -0.041 0.000 2.302 1113 V HA -0.172 3.948 4.120 0.001 0.000 0.243 1113 V C 1.660 177.725 176.094 -0.049 0.000 1.036 1113 V CA 1.305 63.578 62.300 -0.045 0.000 1.020 1113 V CB -0.621 31.188 31.823 -0.023 0.000 0.657 1113 V HN 0.645 nan 8.190 nan 0.000 0.453 1114 L N 0.711 121.925 121.223 -0.015 0.000 2.121 1114 L HA 0.010 4.351 4.340 0.001 0.000 0.200 1114 L C 2.510 179.435 176.870 0.092 0.000 1.077 1114 L CA 2.594 57.452 54.840 0.032 0.000 0.766 1114 L CB -1.093 40.983 42.059 0.029 0.000 0.931 1114 L HN 0.430 nan 8.230 nan 0.000 0.452 1115 T N -1.359 113.228 114.554 0.055 0.000 2.867 1115 T HA -0.125 4.225 4.350 0.001 0.000 0.268 1115 T C 1.154 175.872 174.700 0.029 0.000 1.057 1115 T CA 0.903 63.059 62.100 0.094 0.000 1.136 1115 T CB -0.324 68.567 68.868 0.039 0.000 0.874 1115 T HN 0.350 nan 8.240 nan 0.000 0.466 1116 R N 0.857 121.273 120.500 -0.141 0.000 3.863 1116 R HA -0.146 4.194 4.340 0.001 0.000 0.313 1116 R C -0.097 176.138 176.300 -0.108 0.000 1.202 1116 R CA 0.533 56.493 56.100 -0.233 0.000 0.852 1116 R CB -1.847 28.126 30.300 -0.545 0.000 1.292 1116 R HN 0.593 nan 8.270 nan 0.000 0.519 1117 Q N 0.112 119.885 119.800 -0.045 0.000 2.212 1117 Q HA 0.335 4.676 4.340 0.001 0.000 0.238 1117 Q C -2.257 173.730 176.000 -0.020 0.000 0.955 1117 Q CA -2.131 53.660 55.803 -0.019 0.000 0.906 1117 Q CB 0.788 29.529 28.738 0.005 0.000 1.215 1117 Q HN -0.128 nan 8.270 nan 0.000 0.478 1118 P HA -0.083 nan 4.420 nan 0.000 0.265 1118 P C -0.670 176.635 177.300 0.009 0.000 1.193 1118 P CA 0.049 63.150 63.100 0.001 0.000 0.765 1118 P CB 0.306 32.014 31.700 0.013 0.000 0.823 1119 V N 0.606 120.525 119.914 0.008 0.000 3.051 1119 V HA 0.250 4.370 4.120 0.001 0.000 0.306 1119 V C 0.462 176.567 176.094 0.018 0.000 1.083 1119 V CA -0.373 61.932 62.300 0.008 0.000 1.104 1119 V CB 0.430 32.254 31.823 0.001 0.000 1.027 1119 V HN 0.488 nan 8.190 nan 0.000 0.483 1120 E N 1.193 121.399 120.200 0.010 0.000 2.312 1120 E HA 0.546 4.896 4.350 0.001 0.000 0.259 1120 E C 0.367 176.962 176.600 -0.009 0.000 1.122 1120 E CA 0.332 56.739 56.400 0.011 0.000 0.922 1120 E CB 1.240 30.945 29.700 0.007 0.000 1.109 1120 E HN 1.686 nan 8.360 nan 0.000 0.442 1121 G N 1.026 109.814 108.800 -0.021 0.000 2.758 1121 G HA2 -0.263 3.698 3.960 0.001 0.000 0.686 1121 G HA3 -0.263 3.698 3.960 0.001 0.000 0.686 1121 G C 0.147 174.947 174.900 -0.167 0.000 1.389 1121 G CA 0.219 45.277 45.100 -0.069 0.000 0.845 1121 G HN 0.719 nan 8.290 nan 0.000 0.572 1122 R N -1.199 119.137 120.500 -0.273 0.000 2.308 1122 R HA 0.344 4.685 4.340 0.001 0.000 0.202 1122 R C 2.092 178.217 176.300 -0.292 0.000 0.898 1122 R CA 1.375 57.131 56.100 -0.572 0.000 1.046 1122 R CB -0.020 29.858 30.300 -0.704 0.000 1.026 1122 R HN 1.023 nan 8.270 nan 0.000 0.512 1123 S N -0.007 115.599 115.700 -0.156 0.000 2.710 1123 S HA 0.225 4.696 4.470 0.001 0.000 0.224 1123 S C 0.761 175.327 174.600 -0.055 0.000 0.948 1123 S CA -0.593 57.557 58.200 -0.084 0.000 0.949 1123 S CB 0.185 63.350 63.200 -0.058 0.000 0.778 1123 S HN 0.392 nan 8.310 nan 0.000 0.498 1124 R N 0.482 120.943 120.500 -0.066 0.000 2.549 1124 R HA 0.275 4.616 4.340 0.001 0.000 0.361 1124 R C -0.768 175.524 176.300 -0.014 0.000 0.969 1124 R CA 0.142 56.225 56.100 -0.029 0.000 1.158 1124 R CB 0.031 30.318 30.300 -0.021 0.000 1.456 1124 R HN 0.345 nan 8.270 nan 0.000 0.540 1125 D N 0.475 120.855 120.400 -0.034 0.000 2.927 1125 D HA -0.138 4.502 4.640 0.001 0.000 0.236 1125 D C -0.132 176.235 176.300 0.111 0.000 1.163 1125 D CA 1.259 55.298 54.000 0.065 0.000 0.801 1125 D CB -0.710 40.136 40.800 0.078 0.000 0.975 1125 D HN 0.432 nan 8.370 nan 0.000 0.413 1126 G N 0.097 108.965 108.800 0.114 0.000 2.667 1126 G HA2 0.777 4.737 3.960 0.001 0.000 0.310 1126 G HA3 0.777 4.737 3.960 0.001 0.000 0.310 1126 G C 0.404 175.438 174.900 0.223 0.000 1.259 1126 G CA -0.334 44.839 45.100 0.121 0.000 1.019 1126 G HN 0.504 nan 8.290 nan 0.000 0.496 1127 G N -1.351 107.525 108.800 0.127 0.000 2.462 1127 G HA2 0.537 4.497 3.960 0.001 0.000 0.319 1127 G HA3 0.537 4.497 3.960 0.001 0.000 0.319 1127 G C -0.161 174.808 174.900 0.115 0.000 1.171 1127 G CA -0.731 44.429 45.100 0.099 0.000 0.920 1127 G HN 0.513 nan 8.290 nan 0.000 0.499 1128 L N -0.078 121.202 121.223 0.094 0.000 2.439 1128 L HA 0.440 4.781 4.340 0.001 0.000 0.259 1128 L C 0.932 177.871 176.870 0.116 0.000 1.129 1128 L CA -0.749 54.157 54.840 0.110 0.000 0.803 1128 L CB 1.204 43.327 42.059 0.106 0.000 1.161 1128 L HN 0.489 nan 8.230 nan 0.000 0.462 1129 R N 0.851 121.419 120.500 0.115 0.000 2.265 1129 R HA 0.156 4.497 4.340 0.001 0.000 0.314 1129 R C -0.957 175.454 176.300 0.184 0.000 1.053 1129 R CA -0.337 55.837 56.100 0.124 0.000 0.931 1129 R CB 0.471 30.815 30.300 0.074 0.000 1.024 1129 R HN 0.358 nan 8.270 nan 0.000 0.457 1130 F N 4.660 124.625 119.950 0.024 0.000 2.441 1130 F HA 0.371 4.899 4.527 0.001 0.000 0.337 1130 F C 0.432 176.249 175.800 0.029 0.000 1.182 1130 F CA -0.596 57.423 58.000 0.032 0.000 1.279 1130 F CB 0.478 39.493 39.000 0.027 0.000 1.614 1130 F HN 0.668 nan 8.300 nan 0.000 0.574 1131 G N 2.166 110.902 108.800 -0.107 0.000 2.544 1131 G HA2 0.057 4.018 3.960 0.001 0.000 0.242 1131 G HA3 0.057 4.018 3.960 0.001 0.000 0.242 1131 G C 0.783 175.589 174.900 -0.157 0.000 1.247 1131 G CA -0.353 44.694 45.100 -0.089 0.000 0.840 1131 G HN 0.706 nan 8.290 nan 0.000 0.578 1132 E N 1.245 121.401 120.200 -0.075 0.000 2.197 1132 E HA -0.334 4.016 4.350 0.001 0.000 0.205 1132 E C 2.174 178.710 176.600 -0.107 0.000 1.029 1132 E CA 1.398 57.759 56.400 -0.064 0.000 0.828 1132 E CB -0.180 29.503 29.700 -0.028 0.000 0.737 1132 E HN 0.585 nan 8.360 nan 0.000 0.464 1133 M N 0.316 119.849 119.600 -0.113 0.000 2.267 1133 M HA -0.196 4.284 4.480 0.001 0.000 0.263 1133 M C 1.161 177.363 176.300 -0.164 0.000 1.063 1133 M CA 1.460 56.694 55.300 -0.109 0.000 1.090 1133 M CB 0.150 32.698 32.600 -0.087 0.000 1.392 1133 M HN -0.019 nan 8.290 nan 0.000 0.422 1134 E N -0.795 119.222 120.200 -0.305 0.000 2.318 1134 E HA -0.060 4.290 4.350 0.001 0.000 0.193 1134 E C 1.789 178.090 176.600 -0.498 0.000 0.998 1134 E CA 0.492 56.585 56.400 -0.512 0.000 0.859 1134 E CB -0.186 28.894 29.700 -1.033 0.000 0.812 1134 E HN 0.408 nan 8.360 nan 0.000 0.492 1135 R N 0.933 121.239 120.500 -0.322 0.000 2.073 1135 R HA -0.129 4.211 4.340 0.001 0.000 0.229 1135 R C 0.946 177.258 176.300 0.020 0.000 1.120 1135 R CA 1.488 57.572 56.100 -0.027 0.000 0.967 1135 R CB -0.026 30.292 30.300 0.031 0.000 0.862 1135 R HN 0.068 nan 8.270 nan 0.000 0.436 1136 D N 0.938 121.319 120.400 -0.031 0.000 2.120 1136 D HA -0.205 4.436 4.640 0.001 0.000 0.191 1136 D C 2.039 178.332 176.300 -0.012 0.000 0.994 1136 D CA 1.856 55.845 54.000 -0.018 0.000 0.838 1136 D CB -0.891 39.886 40.800 -0.039 0.000 0.976 1136 D HN 0.357 nan 8.370 nan 0.000 0.447 1137 C N 0.745 120.027 119.300 -0.029 0.000 2.396 1137 C HA -0.179 4.281 4.460 0.001 0.000 0.279 1137 C C 2.679 177.716 174.990 0.079 0.000 1.229 1137 C CA 0.521 59.531 59.018 -0.013 0.000 1.801 1137 C CB -0.868 26.878 27.740 0.010 0.000 2.050 1137 C HN 0.343 nan 8.230 nan 0.000 0.491 1138 M N 0.525 120.214 119.600 0.149 0.000 2.160 1138 M HA 0.072 4.552 4.480 0.001 0.000 0.264 1138 M C 2.103 178.515 176.300 0.188 0.000 1.073 1138 M CA 1.365 56.821 55.300 0.259 0.000 1.142 1138 M CB -1.164 31.666 32.600 0.383 0.000 1.358 1138 M HN 0.346 nan 8.290 nan 0.000 0.422 1139 I N 0.323 120.967 120.570 0.124 0.000 2.248 1139 I HA -0.289 3.882 4.170 0.001 0.000 0.248 1139 I C 2.533 178.674 176.117 0.039 0.000 1.107 1139 I CA 1.273 62.623 61.300 0.083 0.000 1.373 1139 I CB -0.844 37.190 38.000 0.057 0.000 1.055 1139 I HN 0.208 nan 8.210 nan 0.000 0.418 1140 A N 0.410 123.217 122.820 -0.021 0.000 1.908 1140 A HA -0.255 4.066 4.320 0.001 0.000 0.218 1140 A C 2.183 179.687 177.584 -0.133 0.000 1.181 1140 A CA 1.767 53.736 52.037 -0.113 0.000 0.627 1140 A CB -0.971 17.900 19.000 -0.215 0.000 0.818 1140 A HN 0.468 nan 8.150 nan 0.000 0.445 1141 H N -1.146 117.931 119.070 0.011 0.000 2.546 1141 H HA 0.081 4.637 4.556 0.001 0.000 0.277 1141 H C 1.880 177.214 175.328 0.011 0.000 1.004 1141 H CA 0.882 56.931 56.048 0.002 0.000 1.231 1141 H CB -0.298 29.455 29.762 -0.014 0.000 1.382 1141 H HN 0.681 nan 8.280 nan 0.000 0.580 1142 G N 0.437 109.312 108.800 0.125 0.000 2.168 1142 G HA2 -0.306 3.654 3.960 0.001 0.000 0.263 1142 G HA3 -0.306 3.654 3.960 0.001 0.000 0.263 1142 G C 0.577 175.539 174.900 0.103 0.000 0.977 1142 G CA 0.407 45.562 45.100 0.091 0.000 0.659 1142 G HN 0.701 nan 8.290 nan 0.000 0.533 1143 A N -0.088 122.812 122.820 0.133 0.000 2.475 1143 A HA 0.775 5.095 4.320 0.001 0.000 0.293 1143 A C 1.412 179.099 177.584 0.173 0.000 1.252 1143 A CA 1.107 53.219 52.037 0.124 0.000 0.920 1143 A CB 0.289 19.332 19.000 0.073 0.000 1.125 1143 A HN 1.669 nan 8.150 nan 0.000 0.528 1144 A N 2.097 124.997 122.820 0.133 0.000 1.942 1144 A HA 0.144 4.464 4.320 0.001 0.000 0.209 1144 A C 2.270 179.921 177.584 0.112 0.000 1.214 1144 A CA 1.358 53.466 52.037 0.119 0.000 0.686 1144 A CB -0.486 18.561 19.000 0.079 0.000 0.871 1144 A HN 0.667 nan 8.150 nan 0.000 0.460 1145 S N -1.123 114.640 115.700 0.104 0.000 2.402 1145 S HA -0.089 4.381 4.470 0.001 0.000 0.229 1145 S C 1.626 176.272 174.600 0.077 0.000 1.021 1145 S CA 1.338 59.581 58.200 0.072 0.000 0.974 1145 S CB -0.485 62.751 63.200 0.060 0.000 0.800 1145 S HN 0.572 nan 8.310 nan 0.000 0.484 1146 F N 1.956 121.904 119.950 -0.003 0.000 2.171 1146 F HA 0.001 4.528 4.527 0.000 0.000 0.300 1146 F C 1.744 177.520 175.800 -0.039 0.000 1.090 1146 F CA 1.345 59.332 58.000 -0.022 0.000 1.293 1146 F CB -0.256 38.737 39.000 -0.011 0.000 1.013 1146 F HN 0.242 nan 8.300 nan 0.000 0.486 1147 L N 0.255 121.504 121.223 0.043 0.000 2.313 1147 L HA -0.037 4.303 4.340 0.001 0.000 0.214 1147 L C 2.353 179.166 176.870 -0.095 0.000 1.119 1147 L CA 1.067 55.881 54.840 -0.042 0.000 0.809 1147 L CB -0.673 41.509 42.059 0.205 0.000 0.933 1147 L HN 0.078 nan 8.230 nan 0.000 0.449 1148 K N 0.219 120.583 120.400 -0.061 0.000 2.155 1148 K HA -0.236 4.084 4.320 0.001 0.000 0.203 1148 K C 1.907 178.436 176.600 -0.117 0.000 1.052 1148 K CA 1.579 57.833 56.287 -0.056 0.000 0.948 1148 K CB 0.095 32.584 32.500 -0.017 0.000 0.728 1148 K HN 0.584 nan 8.250 nan 0.000 0.448 1149 E N 0.354 120.431 120.200 -0.205 0.000 2.028 1149 E HA -0.127 4.223 4.350 0.001 0.000 0.190 1149 E C 1.415 177.820 176.600 -0.325 0.000 0.984 1149 E CA 0.601 56.853 56.400 -0.247 0.000 0.800 1149 E CB 0.130 29.656 29.700 -0.290 0.000 0.758 1149 E HN 0.026 nan 8.360 nan 0.000 0.448 1150 R N 0.112 120.293 120.500 -0.532 0.000 2.395 1150 R HA -0.030 4.310 4.340 0.001 0.000 0.202 1150 R C 0.500 176.606 176.300 -0.324 0.000 1.088 1150 R CA 0.487 56.245 56.100 -0.570 0.000 1.090 1150 R CB -0.191 29.511 30.300 -0.998 0.000 0.876 1150 R HN 0.275 nan 8.270 nan 0.000 0.477 1151 L N -1.881 119.226 121.223 -0.194 0.000 3.520 1151 L HA 0.199 4.540 4.340 0.001 0.000 0.323 1151 L C 0.954 177.796 176.870 -0.046 0.000 1.246 1151 L CA 0.158 54.946 54.840 -0.086 0.000 1.085 1151 L CB 0.449 42.487 42.059 -0.036 0.000 1.477 1151 L HN -0.085 nan 8.230 nan 0.000 0.624 1152 M N -1.870 117.693 119.600 -0.062 0.000 2.331 1152 M HA 0.242 4.722 4.480 0.001 0.000 0.187 1152 M C 1.601 177.886 176.300 -0.025 0.000 1.915 1152 M CA 0.466 55.757 55.300 -0.016 0.000 1.082 1152 M CB -0.268 32.336 32.600 0.007 0.000 1.445 1152 M HN -0.147 nan 8.290 nan 0.000 0.602 1153 E N 1.913 122.084 120.200 -0.048 0.000 2.026 1153 E HA -0.026 4.325 4.350 0.001 0.000 0.206 1153 E C 0.913 177.479 176.600 -0.057 0.000 1.028 1153 E CA 1.708 58.080 56.400 -0.048 0.000 0.845 1153 E CB -0.414 29.244 29.700 -0.069 0.000 0.772 1153 E HN 0.510 nan 8.360 nan 0.000 0.462 1154 A N -0.583 122.181 122.820 -0.094 0.000 2.296 1154 A HA 0.439 4.760 4.320 0.001 0.000 0.264 1154 A C 1.065 178.606 177.584 -0.072 0.000 1.097 1154 A CA 0.412 52.396 52.037 -0.088 0.000 0.811 1154 A CB 0.618 19.542 19.000 -0.126 0.000 1.072 1154 A HN 0.287 nan 8.150 nan 0.000 0.495 1155 S N -0.349 115.319 115.700 -0.052 0.000 4.157 1155 S HA -0.317 4.154 4.470 0.001 0.000 0.552 1155 S C 1.089 175.680 174.600 -0.014 0.000 1.867 1155 S CA 2.324 60.505 58.200 -0.032 0.000 4.248 1155 S CB -1.906 61.275 63.200 -0.032 0.000 0.222 1155 S HN 0.928 nan 8.310 nan 0.000 0.457 1156 D N 1.960 122.362 120.400 0.004 0.000 2.324 1156 D HA 0.572 5.212 4.640 0.001 0.000 0.212 1156 D C 0.866 177.220 176.300 0.090 0.000 0.984 1156 D CA 0.981 55.005 54.000 0.041 0.000 0.885 1156 D CB -0.029 40.804 40.800 0.055 0.000 0.996 1156 D HN 0.890 nan 8.370 nan 0.000 0.505 1157 A N 0.591 123.458 122.820 0.078 0.000 2.622 1157 A HA 0.168 4.489 4.320 0.001 0.000 0.235 1157 A C -0.245 177.451 177.584 0.188 0.000 1.013 1157 A CA 0.783 52.884 52.037 0.106 0.000 0.765 1157 A CB -0.335 18.702 19.000 0.063 0.000 0.921 1157 A HN 0.261 nan 8.150 nan 0.000 0.506 1158 F N 2.198 122.136 119.950 -0.019 0.000 2.619 1158 F HA 0.606 5.133 4.527 0.000 0.000 0.308 1158 F C -0.267 175.466 175.800 -0.110 0.000 1.097 1158 F CA -0.875 57.116 58.000 -0.015 0.000 0.953 1158 F CB 1.500 40.594 39.000 0.158 0.000 1.287 1158 F HN 0.635 nan 8.300 nan 0.000 0.446 1159 R N 4.152 124.098 120.500 -0.924 0.000 2.460 1159 R HA 0.809 5.150 4.340 0.001 0.000 0.303 1159 R C -1.875 173.941 176.300 -0.806 0.000 0.968 1159 R CA -0.407 55.235 56.100 -0.763 0.000 0.889 1159 R CB 1.640 31.545 30.300 -0.658 0.000 1.123 1159 R HN 0.612 nan 8.270 nan 0.000 0.455 1160 V N 2.831 122.469 119.914 -0.460 0.000 3.160 1160 V HA 0.457 4.577 4.120 0.001 0.000 0.310 1160 V C -0.526 175.354 176.094 -0.357 0.000 1.181 1160 V CA -1.002 61.127 62.300 -0.286 0.000 1.047 1160 V CB 2.440 34.244 31.823 -0.032 0.000 1.068 1160 V HN 0.745 nan 8.190 nan 0.000 0.441 1161 H N 1.971 121.005 119.070 -0.059 0.000 2.457 1161 H HA 0.647 5.203 4.556 0.000 0.000 0.335 1161 H C -0.957 174.340 175.328 -0.052 0.000 1.115 1161 H CA -0.397 55.601 56.048 -0.083 0.000 1.219 1161 H CB 2.259 31.949 29.762 -0.121 0.000 1.471 1161 H HN 0.325 nan 8.280 nan 0.000 0.491 1162 I N 0.797 121.392 120.570 0.042 0.000 3.264 1162 I HA 0.180 4.350 4.170 0.001 0.000 0.309 1162 I C 0.562 176.668 176.117 -0.018 0.000 1.099 1162 I CA -0.685 60.620 61.300 0.010 0.000 0.989 1162 I CB 1.960 39.962 38.000 0.002 0.000 1.250 1162 I HN 0.517 nan 8.210 nan 0.000 0.478 1163 C N 0.644 119.916 119.300 -0.047 0.000 2.365 1163 C HA 0.640 5.100 4.460 0.001 0.000 0.349 1163 C C 1.684 176.646 174.990 -0.047 0.000 1.191 1163 C CA -0.016 58.962 59.018 -0.066 0.000 2.114 1163 C CB 0.749 28.441 27.740 -0.080 0.000 2.367 1163 C HN 0.994 nan 8.230 nan 0.000 0.530 1164 G N 2.810 111.594 108.800 -0.027 0.000 2.464 1164 G HA2 0.040 4.000 3.960 0.001 0.000 0.217 1164 G HA3 0.040 4.000 3.960 0.001 0.000 0.217 1164 G C 1.004 175.894 174.900 -0.018 0.000 1.138 1164 G CA 0.999 46.143 45.100 0.073 0.000 0.793 1164 G HN 0.713 nan 8.290 nan 0.000 0.539 1165 I N 0.842 121.376 120.570 -0.060 0.000 4.056 1165 I HA 0.011 4.181 4.170 0.001 0.000 0.232 1165 I C 3.116 179.149 176.117 -0.139 0.000 1.031 1165 I CA 0.822 62.099 61.300 -0.037 0.000 1.571 1165 I CB -1.470 36.539 38.000 0.014 0.000 1.470 1165 I HN 0.273 nan 8.210 nan 0.000 0.463 1166 C N 1.563 120.809 119.300 -0.090 0.000 2.393 1166 C HA 0.104 4.565 4.460 0.001 0.000 0.276 1166 C C 1.902 176.779 174.990 -0.187 0.000 1.215 1166 C CA 0.438 59.412 59.018 -0.074 0.000 1.743 1166 C CB -1.703 26.015 27.740 -0.035 0.000 2.044 1166 C HN 0.926 nan 8.230 nan 0.000 0.464 1167 G N 0.509 109.157 108.800 -0.253 0.000 2.140 1167 G HA2 -0.128 3.833 3.960 0.001 0.000 0.211 1167 G HA3 -0.128 3.833 3.960 0.001 0.000 0.211 1167 G C -0.137 174.656 174.900 -0.179 0.000 1.013 1167 G CA 0.258 45.169 45.100 -0.314 0.000 0.705 1167 G HN 0.655 nan 8.290 nan 0.000 0.508 1168 L N -1.175 119.981 121.223 -0.112 0.000 2.751 1168 L HA 0.674 5.015 4.340 0.001 0.000 0.241 1168 L C 1.765 178.614 176.870 -0.034 0.000 1.146 1168 L CA -1.058 53.738 54.840 -0.073 0.000 0.879 1168 L CB 0.552 42.588 42.059 -0.037 0.000 1.687 1168 L HN 0.065 nan 8.230 nan 0.000 0.527 1169 M N -0.597 119.008 119.600 0.008 0.000 2.756 1169 M HA 0.118 4.598 4.480 0.001 0.000 0.320 1169 M C 0.871 177.205 176.300 0.057 0.000 1.245 1169 M CA -0.089 55.242 55.300 0.050 0.000 0.972 1169 M CB 0.193 32.847 32.600 0.090 0.000 1.327 1169 M HN 0.580 nan 8.290 nan 0.000 0.505 1170 T N -0.277 114.297 114.554 0.033 0.000 2.867 1170 T HA -0.010 4.341 4.350 0.001 0.000 0.268 1170 T C 0.989 175.713 174.700 0.041 0.000 1.057 1170 T CA 0.469 62.589 62.100 0.033 0.000 1.136 1170 T CB -0.155 68.723 68.868 0.017 0.000 0.874 1170 T HN 0.213 nan 8.240 nan 0.000 0.466 1171 V N 2.912 122.851 119.914 0.042 0.000 2.644 1171 V HA -0.091 4.029 4.120 0.001 0.000 0.303 1171 V C 0.613 176.742 176.094 0.058 0.000 1.058 1171 V CA 0.350 62.678 62.300 0.045 0.000 1.228 1171 V CB -0.641 31.208 31.823 0.044 0.000 0.861 1171 V HN 0.437 nan 8.190 nan 0.000 0.484 1172 I N 5.380 125.980 120.570 0.050 0.000 2.293 1172 I HA 0.196 4.367 4.170 0.001 0.000 0.299 1172 I C 1.082 177.226 176.117 0.044 0.000 1.153 1172 I CA 0.042 61.366 61.300 0.041 0.000 1.302 1172 I CB 0.473 38.484 38.000 0.019 0.000 1.460 1172 I HN 0.735 nan 8.210 nan 0.000 0.552 1173 A N 7.033 129.871 122.820 0.030 0.000 2.899 1173 A HA 0.110 4.430 4.320 0.001 0.000 0.287 1173 A C 0.649 178.236 177.584 0.005 0.000 1.715 1173 A CA -0.146 51.882 52.037 -0.015 0.000 1.393 1173 A CB -0.618 18.392 19.000 0.015 0.000 1.070 1173 A HN 0.679 nan 8.150 nan 0.000 0.587 1174 K N 2.413 122.769 120.400 -0.073 0.000 3.165 1174 K HA 0.256 4.577 4.320 0.001 0.000 0.259 1174 K C 0.048 176.578 176.600 -0.116 0.000 1.282 1174 K CA -0.180 56.041 56.287 -0.110 0.000 1.259 1174 K CB -0.020 32.376 32.500 -0.173 0.000 1.546 1174 K HN 0.749 nan 8.250 nan 0.000 0.384 1175 L N 1.064 122.274 121.223 -0.022 0.000 2.483 1175 L HA -0.111 4.230 4.340 0.001 0.000 0.277 1175 L C 0.996 177.881 176.870 0.025 0.000 1.248 1175 L CA 0.667 55.513 54.840 0.011 0.000 0.825 1175 L CB 0.214 42.343 42.059 0.118 0.000 1.096 1175 L HN 0.619 nan 8.230 nan 0.000 0.512 1176 N N -0.148 118.512 118.700 -0.067 0.000 2.965 1176 N HA -0.223 4.517 4.740 0.001 0.000 0.232 1176 N C 0.181 175.362 175.510 -0.548 0.000 0.913 1176 N CA 1.586 54.492 53.050 -0.240 0.000 0.981 1176 N CB -0.953 37.396 38.487 -0.229 0.000 1.077 1176 N HN 0.848 nan 8.380 nan 0.000 0.589 1177 H N -1.277 117.701 119.070 -0.153 0.000 3.787 1177 H HA 0.240 4.796 4.556 0.000 0.000 0.262 1177 H C 0.469 175.645 175.328 -0.253 0.000 1.181 1177 H CA 0.380 56.324 56.048 -0.173 0.000 1.159 1177 H CB 0.235 29.897 29.762 -0.167 0.000 1.563 1177 H HN 0.306 nan 8.280 nan 0.000 0.699 1178 N N 1.334 119.860 118.700 -0.291 0.000 2.732 1178 N HA -0.213 4.528 4.740 0.001 0.000 0.250 1178 N C -0.413 174.718 175.510 -0.633 0.000 1.097 1178 N CA 0.485 53.277 53.050 -0.430 0.000 0.812 1178 N CB -0.647 37.767 38.487 -0.121 0.000 1.148 1178 N HN 0.447 nan 8.380 nan 0.000 0.572 1179 Q N -0.429 118.993 119.800 -0.630 0.000 2.274 1179 Q HA 0.445 4.786 4.340 0.001 0.000 0.256 1179 Q C -0.055 175.511 176.000 -0.722 0.000 0.927 1179 Q CA -0.005 55.510 55.803 -0.481 0.000 0.939 1179 Q CB 0.743 29.328 28.738 -0.255 0.000 1.201 1179 Q HN 0.246 nan 8.270 nan 0.000 0.426 1180 F N 0.484 120.386 119.950 -0.079 0.000 2.009 1180 F HA 0.212 4.739 4.527 0.000 0.000 0.228 1180 F C 0.035 175.783 175.800 -0.087 0.000 1.168 1180 F CA -0.608 57.323 58.000 -0.116 0.000 1.286 1180 F CB 0.385 39.300 39.000 -0.143 0.000 1.725 1180 F HN 0.480 nan 8.300 nan 0.000 0.418 1181 E N -0.780 119.520 120.200 0.166 0.000 9.129 1181 E HA -0.270 4.080 4.350 0.001 0.000 0.468 1181 E C -1.246 175.379 176.600 0.040 0.000 1.365 1181 E CA 0.602 57.040 56.400 0.063 0.000 2.372 1181 E CB -0.562 29.154 29.700 0.027 0.000 1.025 1181 E HN 0.463 nan 8.360 nan 0.000 0.292 1182 C N 2.287 121.597 119.300 0.017 0.000 3.171 1182 C HA 0.347 4.808 4.460 0.001 0.000 0.336 1182 C C -0.338 174.655 174.990 0.005 0.000 1.035 1182 C CA -0.595 58.428 59.018 0.009 0.000 1.361 1182 C CB -0.001 27.737 27.740 -0.004 0.000 1.804 1182 C HN 0.658 nan 8.230 nan 0.000 0.535 1183 K N 3.457 123.861 120.400 0.007 0.000 2.530 1183 K HA 0.377 4.698 4.320 0.001 0.000 0.280 1183 K C 1.286 177.888 176.600 0.004 0.000 1.004 1183 K CA 1.951 58.241 56.287 0.005 0.000 1.071 1183 K CB 0.081 32.584 32.500 0.005 0.000 0.876 1183 K HN 1.678 nan 8.250 nan 0.000 0.487 1184 G N 2.624 111.426 108.800 0.004 0.000 2.436 1184 G HA2 -0.259 3.701 3.960 0.001 0.000 0.204 1184 G HA3 -0.259 3.701 3.960 0.001 0.000 0.204 1184 G C 0.803 175.705 174.900 0.004 0.000 1.026 1184 G CA 0.022 45.124 45.100 0.004 0.000 0.658 1184 G HN 0.665 nan 8.290 nan 0.000 0.499 1185 C N 1.074 120.375 119.300 0.002 0.000 3.065 1185 C HA 0.454 4.914 4.460 0.001 0.000 0.285 1185 C C 1.201 176.192 174.990 0.002 0.000 1.257 1185 C CA 0.285 59.304 59.018 0.001 0.000 1.691 1185 C CB -0.009 27.729 27.740 -0.004 0.000 2.089 1185 C HN 0.611 nan 8.230 nan 0.000 0.630 1186 D N 0.798 121.199 120.400 0.001 0.000 3.077 1186 D HA -0.149 4.492 4.640 0.001 0.000 0.217 1186 D C -0.076 176.224 176.300 -0.000 0.000 1.162 1186 D CA 1.043 55.044 54.000 0.001 0.000 0.943 1186 D CB -1.658 39.143 40.800 0.002 0.000 1.122 1186 D HN 0.558 nan 8.370 nan 0.000 0.413 1187 N N 0.728 119.426 118.700 -0.004 0.000 2.447 1187 N HA 0.011 4.752 4.740 0.001 0.000 0.263 1187 N C 0.944 176.452 175.510 -0.004 0.000 1.226 1187 N CA 0.726 53.770 53.050 -0.010 0.000 0.906 1187 N CB 0.626 39.099 38.487 -0.024 0.000 1.060 1187 N HN 0.294 nan 8.380 nan 0.000 0.468 1188 K N 2.935 123.334 120.400 -0.003 0.000 2.462 1188 K HA 0.193 4.514 4.320 0.001 0.000 0.201 1188 K C 1.031 177.643 176.600 0.020 0.000 1.268 1188 K CA 0.271 56.568 56.287 0.017 0.000 0.933 1188 K CB 0.589 33.096 32.500 0.012 0.000 1.162 1188 K HN 0.378 nan 8.250 nan 0.000 0.527 1189 I N 1.027 121.588 120.570 -0.016 0.000 3.300 1189 I HA -0.028 4.142 4.170 0.001 0.000 0.279 1189 I C -0.240 175.798 176.117 -0.131 0.000 1.172 1189 I CA 0.339 61.615 61.300 -0.039 0.000 1.431 1189 I CB 0.227 38.214 38.000 -0.022 0.000 1.240 1189 I HN -0.107 nan 8.210 nan 0.000 0.453 1190 D N 3.747 124.061 120.400 -0.145 0.000 2.545 1190 D HA 0.326 4.967 4.640 0.001 0.000 0.227 1190 D C -0.161 175.886 176.300 -0.422 0.000 1.150 1190 D CA 0.624 54.465 54.000 -0.265 0.000 1.046 1190 D CB 0.184 40.927 40.800 -0.096 0.000 1.098 1190 D HN 0.230 nan 8.370 nan 0.000 0.502 1191 I N 1.300 121.486 120.570 -0.640 0.000 2.582 1191 I HA 0.300 4.471 4.170 0.001 0.000 0.292 1191 I C -0.918 174.732 176.117 -0.778 0.000 1.066 1191 I CA -1.039 59.917 61.300 -0.574 0.000 1.053 1191 I CB 1.635 39.411 38.000 -0.375 0.000 1.241 1191 I HN 0.024 nan 8.210 nan 0.000 0.421 1192 Y N 3.434 123.671 120.300 -0.105 0.000 2.485 1192 Y HA 0.478 5.029 4.550 0.000 0.000 0.345 1192 Y C -0.128 175.706 175.900 -0.109 0.000 0.998 1192 Y CA -0.773 57.270 58.100 -0.095 0.000 1.059 1192 Y CB 1.703 40.118 38.460 -0.074 0.000 1.234 1192 Y HN 0.433 nan 8.280 nan 0.000 0.461 1193 Q N 4.289 124.108 119.800 0.032 0.000 2.271 1193 Q HA 0.592 4.932 4.340 0.001 0.000 0.258 1193 Q C -1.156 174.848 176.000 0.007 0.000 0.936 1193 Q CA -0.837 54.909 55.803 -0.095 0.000 0.909 1193 Q CB 1.203 29.868 28.738 -0.121 0.000 1.253 1193 Q HN 0.705 nan 8.270 nan 0.000 0.440 1194 I N 0.960 121.529 120.570 -0.001 0.000 2.892 1194 I HA 0.468 4.639 4.170 0.001 0.000 0.306 1194 I C -1.549 174.680 176.117 0.187 0.000 1.078 1194 I CA -0.719 60.641 61.300 0.099 0.000 1.032 1194 I CB 2.088 40.126 38.000 0.063 0.000 1.229 1194 I HN 0.818 nan 8.210 nan 0.000 0.435 1195 H N 5.948 125.002 119.070 -0.028 0.000 2.685 1195 H HA 0.596 5.152 4.556 0.000 0.000 0.307 1195 H C -0.455 174.893 175.328 0.033 0.000 1.017 1195 H CA -0.647 55.393 56.048 -0.013 0.000 1.237 1195 H CB 1.959 31.710 29.762 -0.017 0.000 1.409 1195 H HN 0.600 nan 8.280 nan 0.000 0.488 1196 I N 0.240 120.890 120.570 0.134 0.000 2.934 1196 I HA 0.553 4.723 4.170 0.001 0.000 0.306 1196 I C -3.179 173.019 176.117 0.135 0.000 1.110 1196 I CA -3.101 58.277 61.300 0.130 0.000 1.019 1196 I CB 2.281 40.367 38.000 0.143 0.000 1.227 1196 I HN 0.178 nan 8.210 nan 0.000 0.434 1197 P HA 0.024 nan 4.420 nan 0.000 0.268 1197 P C -0.048 177.322 177.300 0.117 0.000 1.208 1197 P CA 0.370 63.527 63.100 0.094 0.000 0.777 1197 P CB 0.386 32.106 31.700 0.033 0.000 0.875 1198 Y N 3.332 123.634 120.300 0.004 0.000 2.220 1198 Y HA -0.165 4.386 4.550 0.001 0.000 0.291 1198 Y C 2.301 178.122 175.900 -0.130 0.000 1.129 1198 Y CA 2.003 60.043 58.100 -0.101 0.000 1.161 1198 Y CB -0.863 37.425 38.460 -0.287 0.000 0.997 1198 Y HN 0.424 nan 8.280 nan 0.000 0.522 1199 A N 0.798 123.620 122.820 0.004 0.000 1.971 1199 A HA -0.321 4.000 4.320 0.001 0.000 0.222 1199 A C 2.390 179.830 177.584 -0.241 0.000 1.182 1199 A CA 2.423 54.404 52.037 -0.093 0.000 0.649 1199 A CB -1.574 17.405 19.000 -0.035 0.000 0.818 1199 A HN 0.652 nan 8.150 nan 0.000 0.458 1200 A N -0.295 122.366 122.820 -0.266 0.000 1.832 1200 A HA -0.136 4.184 4.320 0.001 0.000 0.214 1200 A C 2.145 179.358 177.584 -0.618 0.000 1.200 1200 A CA 1.978 53.720 52.037 -0.492 0.000 0.610 1200 A CB -0.538 18.214 19.000 -0.413 0.000 0.842 1200 A HN 0.438 nan 8.150 nan 0.000 0.444 1201 K N 0.084 120.272 120.400 -0.353 0.000 2.173 1201 K HA -0.181 4.139 4.320 0.001 0.000 0.207 1201 K C 1.805 178.229 176.600 -0.294 0.000 1.046 1201 K CA 1.681 57.861 56.287 -0.179 0.000 0.929 1201 K CB -0.488 31.973 32.500 -0.065 0.000 0.720 1201 K HN 0.442 nan 8.250 nan 0.000 0.453 1202 L N 1.421 122.347 121.223 -0.495 0.000 2.005 1202 L HA -0.163 4.177 4.340 0.001 0.000 0.207 1202 L C 2.443 179.182 176.870 -0.220 0.000 1.072 1202 L CA 1.498 56.108 54.840 -0.383 0.000 0.744 1202 L CB -1.180 40.644 42.059 -0.391 0.000 0.895 1202 L HN 0.284 nan 8.230 nan 0.000 0.433 1203 L N 0.417 121.473 121.223 -0.277 0.000 1.971 1203 L HA -0.261 4.079 4.340 0.001 0.000 0.215 1203 L C 2.451 179.280 176.870 -0.068 0.000 1.072 1203 L CA 2.192 56.905 54.840 -0.212 0.000 0.758 1203 L CB -1.245 40.620 42.059 -0.324 0.000 0.889 1203 L HN 0.235 nan 8.230 nan 0.000 0.433 1204 F N -0.366 119.557 119.950 -0.044 0.000 2.065 1204 F HA -0.347 4.181 4.527 0.001 0.000 0.298 1204 F C 2.709 178.494 175.800 -0.026 0.000 1.112 1204 F CA 1.526 59.511 58.000 -0.025 0.000 1.212 1204 F CB -0.646 38.344 39.000 -0.017 0.000 0.975 1204 F HN 0.234 nan 8.300 nan 0.000 0.476 1205 Q N 0.311 120.200 119.800 0.148 0.000 2.096 1205 Q HA -0.280 4.060 4.340 0.001 0.000 0.208 1205 Q C 2.060 178.088 176.000 0.047 0.000 0.993 1205 Q CA 2.179 58.023 55.803 0.068 0.000 0.862 1205 Q CB -0.356 28.388 28.738 0.010 0.000 0.915 1205 Q HN 0.556 nan 8.270 nan 0.000 0.416 1206 E N 0.295 120.510 120.200 0.025 0.000 2.058 1206 E HA -0.189 4.162 4.350 0.001 0.000 0.194 1206 E C 2.123 178.745 176.600 0.038 0.000 0.997 1206 E CA 0.977 57.388 56.400 0.019 0.000 0.801 1206 E CB -0.157 29.542 29.700 -0.002 0.000 0.746 1206 E HN 0.347 nan 8.360 nan 0.000 0.450 1207 L N 0.285 121.546 121.223 0.063 0.000 2.083 1207 L HA -0.198 4.142 4.340 0.001 0.000 0.209 1207 L C 2.583 179.487 176.870 0.056 0.000 1.083 1207 L CA 1.071 55.952 54.840 0.068 0.000 0.752 1207 L CB -0.428 41.694 42.059 0.106 0.000 0.899 1207 L HN 0.246 nan 8.230 nan 0.000 0.433 1208 M N -0.687 118.951 119.600 0.063 0.000 2.229 1208 M HA -0.138 4.343 4.480 0.001 0.000 0.264 1208 M C 2.389 178.709 176.300 0.034 0.000 1.063 1208 M CA 1.683 57.010 55.300 0.045 0.000 1.114 1208 M CB -0.438 32.192 32.600 0.050 0.000 1.387 1208 M HN 0.288 nan 8.290 nan 0.000 0.420 1209 A N -0.315 122.524 122.820 0.033 0.000 1.975 1209 A HA 0.006 4.326 4.320 0.001 0.000 0.215 1209 A C 1.972 179.570 177.584 0.022 0.000 1.170 1209 A CA 0.751 52.803 52.037 0.025 0.000 0.656 1209 A CB -0.398 18.615 19.000 0.022 0.000 0.821 1209 A HN 0.483 nan 8.150 nan 0.000 0.449 1210 M N 0.011 119.626 119.600 0.025 0.000 2.581 1210 M HA 0.123 4.603 4.480 0.001 0.000 0.224 1210 M C 0.052 176.366 176.300 0.022 0.000 1.171 1210 M CA 0.077 55.390 55.300 0.022 0.000 0.993 1210 M CB -0.381 32.233 32.600 0.023 0.000 1.685 1210 M HN 0.528 nan 8.290 nan 0.000 0.479 1211 N N 1.785 120.499 118.700 0.023 0.000 2.726 1211 N HA -0.161 4.579 4.740 0.001 0.000 0.253 1211 N C -1.503 174.021 175.510 0.022 0.000 1.059 1211 N CA 0.533 53.595 53.050 0.021 0.000 0.701 1211 N CB -0.734 37.764 38.487 0.017 0.000 0.899 1211 N HN 0.443 nan 8.380 nan 0.000 0.548 1212 I N 1.460 122.047 120.570 0.027 0.000 2.571 1212 I HA 0.074 4.244 4.170 0.001 0.000 0.286 1212 I C 0.327 176.459 176.117 0.027 0.000 1.134 1212 I CA -0.636 60.681 61.300 0.028 0.000 1.052 1212 I CB 1.946 39.967 38.000 0.035 0.000 1.237 1212 I HN 0.116 nan 8.210 nan 0.000 0.435 1213 T N 3.544 118.108 114.554 0.017 0.000 2.737 1213 T HA 0.431 4.782 4.350 0.001 0.000 0.296 1213 T C -2.237 172.456 174.700 -0.011 0.000 0.922 1213 T CA -1.402 60.700 62.100 0.004 0.000 1.079 1213 T CB 0.728 69.600 68.868 0.007 0.000 0.892 1213 T HN 0.342 nan 8.240 nan 0.000 0.514 1214 P HA 0.303 nan 4.420 nan 0.000 0.219 1214 P C -0.253 176.932 177.300 -0.192 0.000 1.847 1214 P CA -0.785 62.240 63.100 -0.125 0.000 1.110 1214 P CB 0.282 31.862 31.700 -0.199 0.000 1.839 1215 R N 2.398 122.865 120.500 -0.055 0.000 2.537 1215 R HA 0.165 4.505 4.340 0.001 0.000 0.281 1215 R C 0.201 176.507 176.300 0.009 0.000 0.988 1215 R CA 0.129 56.241 56.100 0.020 0.000 1.077 1215 R CB -0.075 30.393 30.300 0.281 0.000 0.932 1215 R HN 0.484 nan 8.270 nan 0.000 0.409 1216 L N 4.436 125.595 121.223 -0.106 0.000 2.313 1216 L HA 0.436 4.777 4.340 0.001 0.000 0.283 1216 L C -0.706 176.097 176.870 -0.112 0.000 1.013 1216 L CA -0.716 54.075 54.840 -0.080 0.000 0.816 1216 L CB 0.839 42.795 42.059 -0.171 0.000 1.236 1216 L HN 0.421 nan 8.230 nan 0.000 0.419 1217 Y N -0.213 120.042 120.300 -0.075 0.000 2.536 1217 Y HA 0.329 4.879 4.550 0.001 0.000 0.347 1217 Y C 1.087 176.921 175.900 -0.110 0.000 1.000 1217 Y CA -0.783 57.270 58.100 -0.079 0.000 1.051 1217 Y CB 2.301 40.722 38.460 -0.065 0.000 1.259 1217 Y HN 0.604 nan 8.280 nan 0.000 0.468 1218 T N -3.669 110.859 114.554 -0.044 0.000 3.001 1218 T HA 0.135 4.485 4.350 0.001 0.000 0.251 1218 T C -0.340 174.293 174.700 -0.112 0.000 1.040 1218 T CA 0.113 62.127 62.100 -0.143 0.000 0.985 1218 T CB -0.015 68.633 68.868 -0.367 0.000 1.011 1218 T HN 0.592 nan 8.240 nan 0.000 0.509 1219 D N 0.626 120.990 120.400 -0.059 0.000 2.780 1219 D HA 0.350 4.991 4.640 0.001 0.000 0.242 1219 D C -0.407 175.882 176.300 -0.020 0.000 1.135 1219 D CA -0.819 53.154 54.000 -0.046 0.000 0.859 1219 D CB 1.843 42.603 40.800 -0.066 0.000 1.530 1219 D HN 0.118 nan 8.370 nan 0.000 0.493 1220 R N 0.000 120.481 120.500 -0.032 0.000 2.786 1220 R HA 0.000 4.340 4.340 0.001 0.000 0.208 1220 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 1220 R CB 0.000 30.279 30.300 -0.036 0.000 0.687 1220 R HN 0.000 nan 8.270 nan 0.000 0.535