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 3gtl_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX 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 ALDFIGXXXX XXXXXKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXXXXLAIN 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 KLMATEYQDX DATA SEQUENCE XXXXXXXXEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEAXXXX DATA SEQUENCE XXDVDPAKRI 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 RSRDF 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 0.000 176.278 176.300 -0.037 0.000 2.045 20 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 20 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 21 E N -1.371 118.798 120.200 -0.053 0.000 4.973 21 E HA -0.375 3.978 4.350 0.005 0.000 0.177 21 E C 0.586 177.126 176.600 -0.100 0.000 1.362 21 E CA 2.543 58.892 56.400 -0.086 0.000 2.199 21 E CB -1.624 28.025 29.700 -0.085 0.000 1.907 21 E HN 0.132 nan 8.360 nan 0.000 0.329 22 S N 1.647 117.306 115.700 -0.069 0.000 2.395 22 S HA 0.284 4.757 4.470 0.005 0.000 0.225 22 S C 1.133 175.707 174.600 -0.042 0.000 1.027 22 S CA 0.493 58.657 58.200 -0.060 0.000 0.965 22 S CB -0.103 63.072 63.200 -0.041 0.000 0.812 22 S HN 0.735 nan 8.310 nan 0.000 0.482 23 A N 3.260 126.062 122.820 -0.029 0.000 2.536 23 A HA 0.331 4.654 4.320 0.005 0.000 0.234 23 A C -2.294 175.286 177.584 -0.008 0.000 1.076 23 A CA -0.669 51.361 52.037 -0.010 0.000 0.769 23 A CB -0.395 18.603 19.000 -0.004 0.000 1.020 23 A HN 0.196 nan 8.150 nan 0.000 0.508 24 P HA 0.411 nan 4.420 nan 0.000 0.284 24 P C -0.515 176.784 177.300 -0.003 0.000 1.258 24 P CA -0.512 62.592 63.100 0.006 0.000 0.824 24 P CB 0.564 32.280 31.700 0.027 0.000 1.038 25 I N 1.273 121.829 120.570 -0.023 0.000 2.752 25 I HA 0.016 4.189 4.170 0.005 0.000 0.289 25 I C 1.005 177.116 176.117 -0.011 0.000 1.197 25 I CA 0.739 62.022 61.300 -0.029 0.000 1.432 25 I CB -0.226 37.719 38.000 -0.091 0.000 1.359 25 I HN 0.344 nan 8.210 nan 0.000 0.571 26 T N 2.830 117.392 114.554 0.013 0.000 2.867 26 T HA 0.458 4.811 4.350 0.005 0.000 0.282 26 T C 1.130 175.860 174.700 0.049 0.000 1.000 26 T CA -0.423 61.695 62.100 0.031 0.000 1.042 26 T CB 1.948 70.842 68.868 0.043 0.000 0.973 26 T HN 0.671 nan 8.240 nan 0.000 0.465 27 A N 1.466 124.325 122.820 0.066 0.000 1.940 27 A HA -0.230 4.093 4.320 0.005 0.000 0.221 27 A C 2.276 179.923 177.584 0.106 0.000 1.190 27 A CA 1.920 54.013 52.037 0.094 0.000 0.647 27 A CB -0.932 18.158 19.000 0.151 0.000 0.821 27 A HN 0.944 nan 8.150 nan 0.000 0.457 28 E N 0.175 120.460 120.200 0.142 0.000 2.086 28 E HA -0.276 4.077 4.350 0.005 0.000 0.205 28 E C 1.546 178.269 176.600 0.204 0.000 1.027 28 E CA 1.976 58.496 56.400 0.200 0.000 0.830 28 E CB -0.437 29.353 29.700 0.150 0.000 0.751 28 E HN 0.653 nan 8.360 nan 0.000 0.456 29 D N -0.322 120.156 120.400 0.131 0.000 2.190 29 D HA -0.157 4.486 4.640 0.005 0.000 0.200 29 D C 1.957 178.332 176.300 0.125 0.000 0.992 29 D CA 1.465 55.539 54.000 0.123 0.000 0.854 29 D CB -0.590 40.254 40.800 0.073 0.000 0.936 29 D HN 0.233 nan 8.370 nan 0.000 0.462 30 S N -0.928 114.806 115.700 0.056 0.000 2.465 30 S HA -0.180 4.293 4.470 0.005 0.000 0.241 30 S C 1.811 176.389 174.600 -0.037 0.000 1.000 30 S CA 0.442 58.657 58.200 0.025 0.000 0.964 30 S CB -0.751 62.452 63.200 0.005 0.000 0.763 30 S HN 0.435 nan 8.310 nan 0.000 0.512 31 W N 1.311 122.660 121.300 0.081 0.000 2.584 31 W HA 0.339 5.003 4.660 0.005 0.000 0.264 31 W C 2.753 179.381 176.519 0.182 0.000 1.264 31 W CA 0.165 57.577 57.345 0.113 0.000 1.306 31 W CB -0.265 29.230 29.460 0.059 0.000 1.110 31 W HN 0.422 nan 8.180 nan 0.000 0.606 32 A N 0.120 123.158 122.820 0.362 0.000 1.845 32 A HA -0.208 4.115 4.320 0.005 0.000 0.215 32 A C 1.994 179.754 177.584 0.294 0.000 1.195 32 A CA 2.196 54.413 52.037 0.300 0.000 0.616 32 A CB -1.238 17.905 19.000 0.239 0.000 0.832 32 A HN 0.036 nan 8.150 nan 0.000 0.443 33 V N 0.965 121.054 119.914 0.292 0.000 2.278 33 V HA -0.338 3.785 4.120 0.005 0.000 0.251 33 V C 2.480 178.740 176.094 0.277 0.000 1.062 33 V CA 2.171 64.684 62.300 0.355 0.000 1.038 33 V CB -0.766 31.369 31.823 0.519 0.000 0.646 33 V HN 0.558 nan 8.190 nan 0.000 0.447 34 I N -0.314 120.359 120.570 0.170 0.000 2.151 34 I HA -0.261 3.912 4.170 0.005 0.000 0.243 34 I C 2.620 178.740 176.117 0.005 0.000 1.080 34 I CA 1.931 63.256 61.300 0.041 0.000 1.339 34 I CB -1.023 37.073 38.000 0.160 0.000 1.039 34 I HN 0.312 nan 8.210 nan 0.000 0.409 35 S N 0.623 116.411 115.700 0.147 0.000 2.370 35 S HA -0.165 4.308 4.470 0.005 0.000 0.226 35 S C 2.255 176.912 174.600 0.096 0.000 1.033 35 S CA 1.469 59.726 58.200 0.096 0.000 1.011 35 S CB -0.279 63.111 63.200 0.316 0.000 0.852 35 S HN 0.564 nan 8.310 nan 0.000 0.457 36 A N 1.006 123.927 122.820 0.168 0.000 1.873 36 A HA -0.034 4.289 4.320 0.005 0.000 0.218 36 A C 0.952 178.587 177.584 0.085 0.000 1.193 36 A CA 0.929 53.084 52.037 0.197 0.000 0.629 36 A CB -0.824 18.371 19.000 0.325 0.000 0.826 36 A HN 0.461 nan 8.150 nan 0.000 0.447 37 F N -1.539 118.234 119.950 -0.295 0.000 2.545 37 F HA 0.298 4.828 4.527 0.005 0.000 0.348 37 F C 0.852 176.277 175.800 -0.625 0.000 1.163 37 F CA 1.176 58.620 58.000 -0.926 0.000 1.331 37 F CB 0.036 38.077 39.000 -1.597 0.000 1.138 37 F HN 0.433 nan 8.300 nan 0.000 0.602 38 F N -0.013 119.444 119.950 -0.821 0.000 2.522 38 F HA -0.411 4.119 4.527 0.005 0.000 0.726 38 F C 2.010 177.636 175.800 -0.290 0.000 0.486 38 F CA 1.198 58.910 58.000 -0.480 0.000 0.817 38 F CB -1.282 37.545 39.000 -0.288 0.000 1.661 38 F HN 0.406 nan 8.300 nan 0.000 0.273 39 R N 0.707 121.218 120.500 0.018 0.000 2.153 39 R HA -0.211 4.132 4.340 0.005 0.000 0.252 39 R C 1.699 177.972 176.300 -0.044 0.000 1.158 39 R CA 2.157 58.263 56.100 0.010 0.000 0.975 39 R CB -0.379 29.949 30.300 0.048 0.000 0.871 39 R HN 0.559 nan 8.270 nan 0.000 0.450 40 E N 0.258 120.380 120.200 -0.130 0.000 2.022 40 E HA -0.080 4.273 4.350 0.005 0.000 0.190 40 E C 1.481 177.959 176.600 -0.203 0.000 0.973 40 E CA 0.898 57.215 56.400 -0.138 0.000 0.816 40 E CB 0.153 29.777 29.700 -0.127 0.000 0.781 40 E HN 0.189 nan 8.360 nan 0.000 0.456 41 K N 0.111 120.255 120.400 -0.426 0.000 2.404 41 K HA 0.109 4.432 4.320 0.005 0.000 0.194 41 K C 0.779 177.243 176.600 -0.226 0.000 1.023 41 K CA 0.311 56.370 56.287 -0.381 0.000 1.094 41 K CB 0.864 32.979 32.500 -0.642 0.000 0.841 41 K HN 0.267 nan 8.250 nan 0.000 0.523 42 G N 1.529 110.247 108.800 -0.136 0.000 2.566 42 G HA2 -0.330 3.633 3.960 0.005 0.000 0.280 42 G HA3 -0.330 3.633 3.960 0.005 0.000 0.280 42 G C 0.283 175.222 174.900 0.067 0.000 1.225 42 G CA -0.023 45.070 45.100 -0.012 0.000 0.966 42 G HN 0.251 nan 8.290 nan 0.000 0.560 43 L N 0.247 121.500 121.223 0.049 0.000 3.360 43 L HA 0.288 4.631 4.340 0.005 0.000 0.303 43 L C 1.431 178.322 176.870 0.034 0.000 1.218 43 L CA 0.848 55.729 54.840 0.068 0.000 1.059 43 L CB 1.122 43.196 42.059 0.026 0.000 1.468 43 L HN 0.805 nan 8.230 nan 0.000 0.614 44 V N -4.832 115.090 119.914 0.015 0.000 3.199 44 V HA 0.152 4.275 4.120 0.005 0.000 0.331 44 V C 1.790 177.879 176.094 -0.007 0.000 1.446 44 V CA 0.454 62.754 62.300 -0.000 0.000 1.120 44 V CB 0.088 31.910 31.823 -0.001 0.000 1.051 44 V HN 0.287 nan 8.190 nan 0.000 0.495 45 S N 3.044 118.737 115.700 -0.012 0.000 2.414 45 S HA -0.462 4.011 4.470 0.005 0.000 0.238 45 S C 2.013 176.617 174.600 0.007 0.000 1.055 45 S CA 2.976 61.168 58.200 -0.014 0.000 1.174 45 S CB -0.932 62.244 63.200 -0.040 0.000 1.087 45 S HN 0.876 nan 8.310 nan 0.000 0.428 46 Q N 1.231 121.033 119.800 0.004 0.000 2.105 46 Q HA -0.321 4.022 4.340 0.005 0.000 0.217 46 Q C 2.335 178.350 176.000 0.024 0.000 1.029 46 Q CA 2.314 58.122 55.803 0.009 0.000 0.899 46 Q CB -0.974 27.753 28.738 -0.018 0.000 1.000 46 Q HN 0.682 nan 8.270 nan 0.000 0.414 47 Q N 0.560 120.364 119.800 0.007 0.000 2.002 47 Q HA -0.122 4.221 4.340 0.005 0.000 0.204 47 Q C 2.448 178.479 176.000 0.051 0.000 0.988 47 Q CA 1.787 57.597 55.803 0.011 0.000 0.843 47 Q CB -0.434 28.279 28.738 -0.042 0.000 0.908 47 Q HN 0.500 nan 8.270 nan 0.000 0.420 48 L N 1.111 122.352 121.223 0.030 0.000 1.971 48 L HA -0.244 4.099 4.340 0.005 0.000 0.215 48 L C 2.161 179.093 176.870 0.104 0.000 1.072 48 L CA 1.395 56.274 54.840 0.065 0.000 0.758 48 L CB -0.688 41.387 42.059 0.027 0.000 0.889 48 L HN 0.175 nan 8.230 nan 0.000 0.433 49 D N -0.863 119.579 120.400 0.070 0.000 2.228 49 D HA -0.193 4.450 4.640 0.005 0.000 0.203 49 D C 2.324 178.673 176.300 0.082 0.000 0.988 49 D CA 1.598 55.638 54.000 0.066 0.000 0.864 49 D CB 0.075 40.915 40.800 0.067 0.000 0.928 49 D HN 0.215 nan 8.370 nan 0.000 0.469 50 S N -1.050 114.718 115.700 0.112 0.000 2.404 50 S HA -0.061 4.412 4.470 0.005 0.000 0.223 50 S C 1.673 176.396 174.600 0.205 0.000 1.040 50 S CA -0.035 58.245 58.200 0.133 0.000 0.957 50 S CB -0.225 63.048 63.200 0.122 0.000 0.826 50 S HN 0.177 nan 8.310 nan 0.000 0.491 51 F N 3.043 123.051 119.950 0.097 0.000 2.234 51 F HA 0.024 4.554 4.527 0.005 0.000 0.299 51 F C 1.886 177.800 175.800 0.190 0.000 1.087 51 F CA 1.277 59.378 58.000 0.167 0.000 1.340 51 F CB -0.434 38.645 39.000 0.131 0.000 1.031 51 F HN 0.218 nan 8.300 nan 0.000 0.500 52 N N 0.506 119.322 118.700 0.193 0.000 2.043 52 N HA -0.245 4.498 4.740 0.005 0.000 0.193 52 N C 1.788 177.292 175.510 -0.011 0.000 1.037 52 N CA 1.562 54.658 53.050 0.077 0.000 0.851 52 N CB -0.818 37.719 38.487 0.083 0.000 1.027 52 N HN 0.348 nan 8.380 nan 0.000 0.422 53 Q N -0.341 119.450 119.800 -0.016 0.000 2.437 53 Q HA -0.012 4.331 4.340 0.005 0.000 0.210 53 Q C 1.556 177.544 176.000 -0.020 0.000 0.972 53 Q CA 0.835 56.587 55.803 -0.085 0.000 0.903 53 Q CB -0.327 28.361 28.738 -0.083 0.000 0.967 53 Q HN 0.415 nan 8.270 nan 0.000 0.486 54 F N -1.449 118.400 119.950 -0.168 0.000 2.147 54 F HA 0.011 4.541 4.527 0.005 0.000 0.291 54 F C 1.740 177.364 175.800 -0.293 0.000 1.093 54 F CA 0.909 58.773 58.000 -0.228 0.000 1.263 54 F CB -0.455 38.363 39.000 -0.304 0.000 1.036 54 F HN -0.060 nan 8.300 nan 0.000 0.481 55 V N 0.724 120.378 119.914 -0.433 0.000 2.261 55 V HA -0.275 3.848 4.120 0.005 0.000 0.246 55 V C 1.956 177.881 176.094 -0.281 0.000 1.047 55 V CA 2.464 64.489 62.300 -0.458 0.000 1.015 55 V CB -0.570 31.059 31.823 -0.323 0.000 0.642 55 V HN 0.277 nan 8.190 nan 0.000 0.446 56 D N -1.987 118.366 120.400 -0.079 0.000 2.178 56 D HA -0.118 4.525 4.640 0.005 0.000 0.202 56 D C 1.589 177.982 176.300 0.154 0.000 0.974 56 D CA 1.532 55.598 54.000 0.109 0.000 0.841 56 D CB 0.045 41.031 40.800 0.309 0.000 0.953 56 D HN 0.559 nan 8.370 nan 0.000 0.478 57 Y N -0.736 119.433 120.300 -0.218 0.000 3.105 57 Y HA 0.101 4.654 4.550 0.005 0.000 0.216 57 Y C 2.448 178.201 175.900 -0.245 0.000 0.943 57 Y CA 0.426 58.415 58.100 -0.184 0.000 1.535 57 Y CB -0.652 37.739 38.460 -0.114 0.000 1.475 57 Y HN -0.210 nan 8.280 nan 0.000 0.435 58 T N 1.935 116.434 114.554 -0.090 0.000 2.737 58 T HA -0.214 4.139 4.350 0.005 0.000 0.269 58 T C 1.934 176.395 174.700 -0.398 0.000 1.040 58 T CA 1.706 63.692 62.100 -0.191 0.000 1.142 58 T CB -0.619 68.179 68.868 -0.117 0.000 0.861 58 T HN 0.078 nan 8.240 nan 0.000 0.456 59 L N 1.074 121.871 121.223 -0.709 0.000 2.042 59 L HA -0.103 4.240 4.340 0.005 0.000 0.210 59 L C 2.605 179.208 176.870 -0.444 0.000 1.076 59 L CA 1.808 56.175 54.840 -0.789 0.000 0.749 59 L CB -0.787 40.739 42.059 -0.888 0.000 0.893 59 L HN 0.143 nan 8.230 nan 0.000 0.432 60 Q N -0.475 119.126 119.800 -0.331 0.000 2.084 60 Q HA -0.219 4.124 4.340 0.005 0.000 0.202 60 Q C 1.755 177.658 176.000 -0.162 0.000 0.978 60 Q CA 2.235 57.900 55.803 -0.231 0.000 0.844 60 Q CB -0.202 28.409 28.738 -0.212 0.000 0.898 60 Q HN 0.568 nan 8.270 nan 0.000 0.426 61 D N -0.428 119.892 120.400 -0.134 0.000 2.097 61 D HA -0.115 4.528 4.640 0.005 0.000 0.197 61 D C 1.587 177.870 176.300 -0.028 0.000 0.984 61 D CA 1.088 55.052 54.000 -0.060 0.000 0.826 61 D CB -0.143 40.639 40.800 -0.030 0.000 0.973 61 D HN 0.270 nan 8.370 nan 0.000 0.460 62 I N 0.414 120.959 120.570 -0.042 0.000 2.567 62 I HA -0.153 4.020 4.170 0.005 0.000 0.257 62 I C 2.177 178.261 176.117 -0.055 0.000 1.184 62 I CA 0.670 61.988 61.300 0.029 0.000 1.451 62 I CB -0.684 37.389 38.000 0.122 0.000 1.089 62 I HN 0.039 nan 8.210 nan 0.000 0.441 63 I N 0.615 121.062 120.570 -0.205 0.000 2.876 63 I HA -0.106 4.067 4.170 0.005 0.000 0.264 63 I C 0.976 177.117 176.117 0.039 0.000 1.204 63 I CA 0.592 61.670 61.300 -0.371 0.000 1.485 63 I CB 0.207 37.958 38.000 -0.416 0.000 1.103 63 I HN 0.404 nan 8.210 nan 0.000 0.446 64 C N 0.502 119.842 119.300 0.067 0.000 2.653 64 C HA 0.728 5.191 4.460 0.005 0.000 0.291 64 C C 0.510 175.566 174.990 0.110 0.000 1.064 64 C CA -0.366 58.730 59.018 0.131 0.000 1.469 64 C CB 0.052 27.844 27.740 0.087 0.000 1.861 64 C HN 0.532 nan 8.230 nan 0.000 0.434 65 E N 2.487 122.775 120.200 0.146 0.000 3.575 65 E HA -0.047 4.306 4.350 0.005 0.000 0.263 65 E C 0.853 177.518 176.600 0.108 0.000 1.230 65 E CA 1.089 57.553 56.400 0.106 0.000 1.875 65 E CB -0.927 28.826 29.700 0.089 0.000 1.961 65 E HN 0.546 nan 8.360 nan 0.000 0.904 66 D N 1.752 122.228 120.400 0.126 0.000 2.346 66 D HA 0.036 4.679 4.640 0.005 0.000 0.206 66 D C 1.564 177.953 176.300 0.148 0.000 1.001 66 D CA 1.363 55.429 54.000 0.109 0.000 0.871 66 D CB 0.367 41.218 40.800 0.084 0.000 0.943 66 D HN 0.155 nan 8.370 nan 0.000 0.518 67 S N -0.056 115.776 115.700 0.220 0.000 2.456 67 S HA -0.324 4.149 4.470 0.005 0.000 0.359 67 S C 1.028 175.824 174.600 0.326 0.000 1.227 67 S CA 2.559 60.977 58.200 0.363 0.000 1.598 67 S CB -1.789 61.625 63.200 0.357 0.000 1.444 67 S HN 0.601 nan 8.310 nan 0.000 0.483 68 T N 2.083 116.750 114.554 0.190 0.000 2.926 68 T HA 0.494 4.847 4.350 0.005 0.000 0.307 68 T C -0.072 174.682 174.700 0.089 0.000 1.059 68 T CA 0.159 62.315 62.100 0.094 0.000 1.122 68 T CB -0.059 68.844 68.868 0.057 0.000 0.972 68 T HN 0.373 nan 8.240 nan 0.000 0.545 69 L N 3.246 124.484 121.223 0.026 0.000 2.171 69 L HA 0.661 5.004 4.340 0.005 0.000 0.253 69 L C -0.306 176.550 176.870 -0.024 0.000 1.054 69 L CA -1.433 53.430 54.840 0.037 0.000 0.927 69 L CB 1.422 43.479 42.059 -0.003 0.000 1.513 69 L HN 0.467 nan 8.230 nan 0.000 0.471 91 S N 3.827 119.296 115.700 -0.386 0.000 2.548 91 S HA 0.874 5.347 4.470 0.005 0.000 0.286 91 S C -0.923 173.422 174.600 -0.425 0.000 1.098 91 S CA -0.670 57.324 58.200 -0.344 0.000 0.930 91 S CB 2.410 65.536 63.200 -0.122 0.000 1.070 91 S HN 0.173 nan 8.310 nan 0.000 0.480 92 F N 0.975 120.960 119.950 0.058 0.000 2.422 92 F HA 0.754 5.284 4.527 0.005 0.000 0.333 92 F C 1.198 177.010 175.800 0.019 0.000 1.095 92 F CA -0.216 57.820 58.000 0.059 0.000 1.038 92 F CB 1.797 40.874 39.000 0.129 0.000 1.156 92 F HN 0.959 nan 8.300 nan 0.000 0.483 93 G N 1.341 110.236 108.800 0.159 0.000 3.267 93 G HA2 0.196 4.159 3.960 0.005 0.000 0.200 93 G HA3 0.196 4.159 3.960 0.005 0.000 0.200 93 G C -0.467 174.409 174.900 -0.039 0.000 1.603 93 G CA -0.463 44.662 45.100 0.042 0.000 0.753 93 G HN 0.310 nan 8.290 nan 0.000 0.755 94 K N 0.513 120.839 120.400 -0.123 0.000 2.414 94 K HA 0.240 4.563 4.320 0.005 0.000 0.272 94 K C -1.015 175.353 176.600 -0.386 0.000 0.993 94 K CA -0.039 56.081 56.287 -0.279 0.000 0.964 94 K CB 0.962 33.236 32.500 -0.377 0.000 0.925 94 K HN 0.289 nan 8.250 nan 0.000 0.487 95 I N 3.907 124.237 120.570 -0.401 0.000 2.406 95 I HA 0.234 4.407 4.170 0.005 0.000 0.290 95 I C -1.229 174.704 176.117 -0.307 0.000 0.999 95 I CA -0.786 60.321 61.300 -0.321 0.000 1.124 95 I CB 0.808 38.682 38.000 -0.211 0.000 1.289 95 I HN 0.494 nan 8.210 nan 0.000 0.441 96 Y N 5.649 125.997 120.300 0.079 0.000 2.360 96 Y HA 0.605 5.158 4.550 0.005 0.000 0.337 96 Y C -0.375 175.608 175.900 0.139 0.000 1.039 96 Y CA -1.124 57.029 58.100 0.089 0.000 1.109 96 Y CB 1.952 40.472 38.460 0.099 0.000 1.201 96 Y HN 0.127 nan 8.280 nan 0.000 0.458 97 V N 2.986 123.050 119.914 0.251 0.000 2.444 97 V HA 0.312 4.435 4.120 0.005 0.000 0.294 97 V C -0.197 175.985 176.094 0.147 0.000 1.022 97 V CA -0.938 61.471 62.300 0.181 0.000 0.850 97 V CB 1.591 33.463 31.823 0.081 0.000 0.992 97 V HN 0.884 nan 8.190 nan 0.000 0.426 98 T N 3.065 117.725 114.554 0.177 0.000 2.849 98 T HA 0.366 4.719 4.350 0.005 0.000 0.284 98 T C -0.068 174.639 174.700 0.011 0.000 1.004 98 T CA -0.898 61.256 62.100 0.090 0.000 1.021 98 T CB 0.827 69.776 68.868 0.134 0.000 1.013 98 T HN 0.430 nan 8.240 nan 0.000 0.527 99 K N 2.300 122.674 120.400 -0.043 0.000 2.312 99 K HA 0.212 4.535 4.320 0.005 0.000 0.287 99 K C -2.461 174.075 176.600 -0.107 0.000 1.062 99 K CA -1.804 54.376 56.287 -0.177 0.000 0.934 99 K CB 0.336 32.734 32.500 -0.169 0.000 1.027 99 K HN 0.383 nan 8.250 nan 0.000 0.478 100 P HA -0.180 nan 4.420 nan 0.000 0.262 100 P C -0.425 176.839 177.300 -0.059 0.000 1.126 100 P CA 1.249 64.223 63.100 -0.210 0.000 0.755 100 P CB 0.303 31.685 31.700 -0.530 0.000 0.716 101 M N 1.674 121.254 119.600 -0.032 0.000 2.796 101 M HA 0.632 5.115 4.480 0.005 0.000 0.303 101 M C -0.626 175.678 176.300 0.007 0.000 1.240 101 M CA -1.114 54.189 55.300 0.005 0.000 0.831 101 M CB 2.358 34.972 32.600 0.023 0.000 1.750 101 M HN -0.109 nan 8.290 nan 0.000 0.484 102 V N 1.319 121.248 119.914 0.025 0.000 2.752 102 V HA 0.247 4.370 4.120 0.005 0.000 0.302 102 V C -1.391 174.718 176.094 0.026 0.000 1.133 102 V CA -0.802 61.510 62.300 0.020 0.000 0.919 102 V CB 2.145 33.972 31.823 0.006 0.000 1.026 102 V HN 0.839 nan 8.190 nan 0.000 0.429 103 N N 3.555 122.259 118.700 0.007 0.000 2.678 103 N HA 0.251 4.994 4.740 0.005 0.000 0.231 103 N C 0.073 175.589 175.510 0.009 0.000 1.038 103 N CA -0.441 52.612 53.050 0.005 0.000 0.932 103 N CB 0.668 39.143 38.487 -0.020 0.000 1.176 103 N HN 0.738 nan 8.380 nan 0.000 0.511 104 E N 1.256 121.467 120.200 0.017 0.000 2.081 104 E HA 0.045 4.398 4.350 0.005 0.000 0.270 104 E C -0.253 176.354 176.600 0.012 0.000 1.180 104 E CA -0.318 56.086 56.400 0.008 0.000 0.926 104 E CB -0.193 29.512 29.700 0.008 0.000 1.035 104 E HN 0.517 nan 8.360 nan 0.000 0.418 105 S N 3.470 119.173 115.700 0.004 0.000 2.573 105 S HA -0.108 4.365 4.470 0.005 0.000 0.297 105 S C 0.593 175.199 174.600 0.010 0.000 1.280 105 S CA -0.133 58.071 58.200 0.007 0.000 1.061 105 S CB 0.507 63.709 63.200 0.003 0.000 0.812 105 S HN 0.705 nan 8.310 nan 0.000 0.500 106 D N 0.981 121.389 120.400 0.013 0.000 2.800 106 D HA -0.103 4.540 4.640 0.005 0.000 0.232 106 D C 0.170 176.481 176.300 0.019 0.000 1.137 106 D CA 1.697 55.706 54.000 0.015 0.000 0.718 106 D CB -1.306 39.502 40.800 0.014 0.000 1.084 106 D HN 1.133 nan 8.370 nan 0.000 0.432 107 G N -2.279 106.533 108.800 0.021 0.000 2.606 107 G HA2 0.575 4.538 3.960 0.005 0.000 0.300 107 G HA3 0.575 4.538 3.960 0.005 0.000 0.300 107 G C -0.038 174.879 174.900 0.028 0.000 1.360 107 G CA -0.064 45.053 45.100 0.029 0.000 0.783 107 G HN 0.261 nan 8.290 nan 0.000 0.484 108 V N -0.837 119.099 119.914 0.037 0.000 3.698 108 V HA 0.599 4.722 4.120 0.005 0.000 0.280 108 V C 1.002 177.115 176.094 0.032 0.000 0.995 108 V CA -0.274 62.039 62.300 0.021 0.000 1.000 108 V CB 1.256 33.080 31.823 0.001 0.000 1.248 108 V HN 0.742 nan 8.190 nan 0.000 0.429 109 T N -0.707 113.851 114.554 0.007 0.000 2.824 109 T HA 0.475 4.828 4.350 0.005 0.000 0.280 109 T C -0.910 173.798 174.700 0.013 0.000 0.995 109 T CA -0.159 61.951 62.100 0.017 0.000 1.009 109 T CB 0.116 68.976 68.868 -0.014 0.000 0.955 109 T HN 0.799 nan 8.240 nan 0.000 0.452 110 H N 1.644 120.693 119.070 -0.035 0.000 2.569 110 H HA 0.656 5.215 4.556 0.005 0.000 0.357 110 H C -0.278 175.002 175.328 -0.080 0.000 1.153 110 H CA -0.662 55.360 56.048 -0.044 0.000 1.193 110 H CB 1.437 31.180 29.762 -0.031 0.000 1.602 110 H HN 0.724 nan 8.280 nan 0.000 0.523 111 A N 4.555 127.365 122.820 -0.017 0.000 2.666 111 A HA 0.241 4.564 4.320 0.005 0.000 0.312 111 A C -0.708 176.661 177.584 -0.358 0.000 1.471 111 A CA -0.399 51.530 52.037 -0.180 0.000 1.134 111 A CB -0.835 17.992 19.000 -0.287 0.000 1.129 111 A HN 0.587 nan 8.150 nan 0.000 0.539 112 L N 3.892 124.992 121.223 -0.206 0.000 2.295 112 L HA 0.482 4.825 4.340 0.005 0.000 0.288 112 L C -0.850 175.977 176.870 -0.072 0.000 1.079 112 L CA -0.058 54.713 54.840 -0.114 0.000 0.830 112 L CB -0.309 41.745 42.059 -0.008 0.000 1.200 112 L HN 0.603 nan 8.230 nan 0.000 0.438 113 Y N 6.426 126.837 120.300 0.185 0.000 2.316 113 Y HA 0.367 4.920 4.550 0.005 0.000 0.324 113 Y C -1.180 174.911 175.900 0.319 0.000 1.267 113 Y CA -1.679 56.583 58.100 0.270 0.000 1.311 113 Y CB -0.042 38.450 38.460 0.054 0.000 1.267 113 Y HN 0.529 nan 8.280 nan 0.000 0.516 114 P HA -0.296 nan 4.420 nan 0.000 0.214 114 P C 1.334 178.708 177.300 0.122 0.000 1.169 114 P CA 1.712 64.835 63.100 0.039 0.000 0.908 114 P CB 0.310 31.927 31.700 -0.139 0.000 0.791 115 Q N 0.434 120.311 119.800 0.129 0.000 2.118 115 Q HA -0.244 4.099 4.340 0.005 0.000 0.211 115 Q C 2.292 178.361 176.000 0.115 0.000 0.998 115 Q CA 2.228 58.094 55.803 0.104 0.000 0.872 115 Q CB -1.146 27.641 28.738 0.081 0.000 0.925 115 Q HN 0.389 nan 8.270 nan 0.000 0.414 116 E N -1.440 118.843 120.200 0.138 0.000 2.077 116 E HA -0.184 4.169 4.350 0.005 0.000 0.193 116 E C 1.746 178.407 176.600 0.102 0.000 0.989 116 E CA 0.942 57.404 56.400 0.104 0.000 0.800 116 E CB -0.203 29.541 29.700 0.073 0.000 0.746 116 E HN 0.436 nan 8.360 nan 0.000 0.452 117 A N 1.193 124.093 122.820 0.134 0.000 1.858 117 A HA -0.152 4.171 4.320 0.005 0.000 0.216 117 A C 2.101 179.756 177.584 0.118 0.000 1.190 117 A CA 1.323 53.438 52.037 0.130 0.000 0.617 117 A CB -0.470 18.653 19.000 0.206 0.000 0.827 117 A HN 0.128 nan 8.150 nan 0.000 0.443 118 R N -1.051 119.522 120.500 0.122 0.000 2.369 118 R HA 0.152 4.495 4.340 0.005 0.000 0.200 118 R C 0.979 177.360 176.300 0.136 0.000 1.046 118 R CA 0.349 56.525 56.100 0.126 0.000 1.057 118 R CB -0.226 30.146 30.300 0.121 0.000 0.888 118 R HN 0.553 nan 8.270 nan 0.000 0.474 119 L N -0.881 120.427 121.223 0.143 0.000 2.614 119 L HA 0.107 4.450 4.340 0.005 0.000 0.185 119 L C 1.198 178.236 176.870 0.280 0.000 1.098 119 L CA 0.133 55.079 54.840 0.177 0.000 0.852 119 L CB 0.184 42.326 42.059 0.137 0.000 1.213 119 L HN 0.016 nan 8.230 nan 0.000 0.491 120 R N 0.483 121.091 120.500 0.181 0.000 3.081 120 R HA 0.209 4.552 4.340 0.005 0.000 0.280 120 R C -0.363 175.800 176.300 -0.229 0.000 1.372 120 R CA -0.133 56.005 56.100 0.064 0.000 1.242 120 R CB -0.989 29.311 30.300 -0.000 0.000 1.316 120 R HN 0.285 nan 8.270 nan 0.000 0.585 121 N N 1.202 119.897 118.700 -0.008 0.000 2.699 121 N HA -0.195 4.548 4.740 0.005 0.000 0.256 121 N C -0.660 174.811 175.510 -0.066 0.000 0.993 121 N CA 0.190 53.224 53.050 -0.026 0.000 0.759 121 N CB -0.484 37.982 38.487 -0.035 0.000 0.906 121 N HN 0.423 nan 8.380 nan 0.000 0.541 122 L N -0.171 121.048 121.223 -0.007 0.000 2.416 122 L HA 0.407 4.750 4.340 0.005 0.000 0.263 122 L C 0.907 177.821 176.870 0.074 0.000 1.065 122 L CA -0.461 54.386 54.840 0.011 0.000 0.798 122 L CB 1.364 43.435 42.059 0.020 0.000 1.267 122 L HN -0.026 nan 8.230 nan 0.000 0.467 123 T N 0.046 114.650 114.554 0.082 0.000 2.770 123 T HA 0.174 4.527 4.350 0.005 0.000 0.297 123 T C -0.568 174.230 174.700 0.165 0.000 0.997 123 T CA -0.140 62.035 62.100 0.125 0.000 0.949 123 T CB 0.011 68.935 68.868 0.094 0.000 0.941 123 T HN 0.250 nan 8.240 nan 0.000 0.457 124 Y N 4.957 125.306 120.300 0.082 0.000 2.576 124 Y HA 0.338 4.891 4.550 0.005 0.000 0.348 124 Y C 0.488 176.450 175.900 0.102 0.000 1.212 124 Y CA -0.318 57.834 58.100 0.087 0.000 1.683 124 Y CB -0.418 38.089 38.460 0.078 0.000 1.484 124 Y HN 0.585 nan 8.280 nan 0.000 0.477 125 S N 2.327 117.989 115.700 -0.063 0.000 2.541 125 S HA 0.679 5.152 4.470 0.005 0.000 0.280 125 S C -0.430 174.142 174.600 -0.045 0.000 1.112 125 S CA -0.947 57.253 58.200 -0.000 0.000 0.925 125 S CB 1.535 64.786 63.200 0.085 0.000 1.067 125 S HN 0.390 nan 8.310 nan 0.000 0.479 126 S N 0.871 116.582 115.700 0.018 0.000 2.641 126 S HA 0.703 5.176 4.470 0.005 0.000 0.261 126 S C 0.588 175.283 174.600 0.157 0.000 1.257 126 S CA -0.257 57.980 58.200 0.061 0.000 0.983 126 S CB 0.310 63.564 63.200 0.090 0.000 0.990 126 S HN 1.130 nan 8.310 nan 0.000 0.572 127 G N 0.784 109.734 108.800 0.250 0.000 2.417 127 G HA2 0.551 4.514 3.960 0.005 0.000 0.320 127 G HA3 0.551 4.514 3.960 0.005 0.000 0.320 127 G C -0.923 174.185 174.900 0.346 0.000 1.204 127 G CA -0.566 44.765 45.100 0.384 0.000 0.923 127 G HN 0.382 nan 8.290 nan 0.000 0.466 128 L N 1.869 123.160 121.223 0.113 0.000 2.349 128 L HA 0.527 4.870 4.340 0.005 0.000 0.275 128 L C -0.571 176.200 176.870 -0.166 0.000 1.115 128 L CA -0.234 54.626 54.840 0.034 0.000 0.820 128 L CB 0.208 42.249 42.059 -0.029 0.000 1.135 128 L HN 0.358 nan 8.230 nan 0.000 0.445 129 F N 2.012 122.061 119.950 0.164 0.000 2.561 129 F HA 0.618 5.148 4.527 0.005 0.000 0.313 129 F C 0.222 176.088 175.800 0.110 0.000 1.126 129 F CA -0.825 57.297 58.000 0.204 0.000 0.918 129 F CB 2.119 41.299 39.000 0.300 0.000 1.199 129 F HN 0.272 nan 8.300 nan 0.000 0.444 130 V N -1.665 118.400 119.914 0.251 0.000 3.155 130 V HA 0.703 4.826 4.120 0.005 0.000 0.313 130 V C -1.343 174.845 176.094 0.156 0.000 1.162 130 V CA -0.940 61.430 62.300 0.117 0.000 1.048 130 V CB 2.188 34.098 31.823 0.145 0.000 1.092 130 V HN 0.541 nan 8.190 nan 0.000 0.447 131 D N 1.099 121.554 120.400 0.091 0.000 2.479 131 D HA 0.520 5.163 4.640 0.005 0.000 0.247 131 D C -0.385 175.972 176.300 0.096 0.000 1.119 131 D CA -0.004 54.056 54.000 0.100 0.000 0.922 131 D CB 1.160 41.985 40.800 0.042 0.000 1.014 131 D HN 0.547 nan 8.370 nan 0.000 0.510 132 V N 2.881 122.856 119.914 0.101 0.000 2.508 132 V HA 0.178 4.301 4.120 0.005 0.000 0.281 132 V C 0.677 176.742 176.094 -0.048 0.000 1.041 132 V CA -0.249 62.040 62.300 -0.018 0.000 1.016 132 V CB 0.627 32.446 31.823 -0.005 0.000 0.984 132 V HN 0.238 nan 8.190 nan 0.000 0.478 133 K N 4.024 124.360 120.400 -0.107 0.000 2.166 133 K HA 0.526 4.850 4.320 0.005 0.000 0.245 133 K C -0.121 176.425 176.600 -0.089 0.000 0.967 133 K CA -1.064 55.180 56.287 -0.072 0.000 0.863 133 K CB 1.451 33.918 32.500 -0.056 0.000 1.107 133 K HN 0.466 nan 8.250 nan 0.000 0.436 165 V N 2.604 122.765 119.914 0.412 0.000 2.525 165 V HA 0.366 4.489 4.120 0.005 0.000 0.299 165 V C -1.039 175.224 176.094 0.282 0.000 1.034 165 V CA -0.778 61.721 62.300 0.331 0.000 0.863 165 V CB 1.336 33.286 31.823 0.212 0.000 0.999 165 V HN 0.210 nan 8.190 nan 0.000 0.423 166 F N 7.273 127.212 119.950 -0.018 0.000 2.413 166 F HA 0.579 5.109 4.527 0.005 0.000 0.359 166 F C -0.272 175.352 175.800 -0.294 0.000 1.122 166 F CA -0.765 56.936 58.000 -0.498 0.000 1.160 166 F CB 0.448 39.193 39.000 -0.426 0.000 1.146 166 F HN 0.269 nan 8.300 nan 0.000 0.514 167 I N 7.307 127.350 120.570 -0.879 0.000 2.371 167 I HA 0.399 4.572 4.170 0.005 0.000 0.282 167 I C 0.802 176.424 176.117 -0.824 0.000 1.031 167 I CA -0.292 60.581 61.300 -0.712 0.000 1.180 167 I CB 0.143 37.965 38.000 -0.297 0.000 1.336 167 I HN 0.850 nan 8.210 nan 0.000 0.467 168 G N 7.366 115.588 108.800 -0.963 0.000 2.740 168 G HA2 -0.250 3.713 3.960 0.005 0.000 0.250 168 G HA3 -0.250 3.713 3.960 0.005 0.000 0.250 168 G C -0.150 174.619 174.900 -0.217 0.000 1.358 168 G CA -0.555 44.259 45.100 -0.477 0.000 0.897 168 G HN 0.669 nan 8.290 nan 0.000 0.567 169 R N -1.185 119.326 120.500 0.017 0.000 2.575 169 R HA 0.517 4.860 4.340 0.005 0.000 0.293 169 R C -1.052 175.322 176.300 0.124 0.000 0.983 169 R CA -0.960 55.217 56.100 0.129 0.000 0.887 169 R CB 2.024 32.424 30.300 0.167 0.000 1.184 169 R HN 0.550 nan 8.270 nan 0.000 0.445 170 L N 4.767 126.079 121.223 0.149 0.000 2.262 170 L HA 0.445 4.788 4.340 0.005 0.000 0.288 170 L C -2.500 174.484 176.870 0.191 0.000 1.035 170 L CA -1.910 53.037 54.840 0.178 0.000 0.820 170 L CB 1.184 43.360 42.059 0.195 0.000 1.204 170 L HN 0.372 nan 8.230 nan 0.000 0.424 171 P HA 0.028 nan 4.420 nan 0.000 0.265 171 P C -0.872 176.633 177.300 0.341 0.000 1.187 171 P CA 0.316 63.527 63.100 0.185 0.000 0.766 171 P CB 0.308 32.024 31.700 0.025 0.000 0.820 172 I N 3.905 124.717 120.570 0.402 0.000 2.354 172 I HA 0.276 4.449 4.170 0.005 0.000 0.292 172 I C 0.684 176.829 176.117 0.047 0.000 0.989 172 I CA -0.935 60.561 61.300 0.325 0.000 1.188 172 I CB 1.070 39.258 38.000 0.315 0.000 1.342 172 I HN 0.452 nan 8.210 nan 0.000 0.457 173 M N 6.753 125.861 119.600 -0.820 0.000 2.356 173 M HA 0.056 4.539 4.480 0.005 0.000 0.348 173 M C -0.665 175.256 176.300 -0.631 0.000 1.595 173 M CA -0.270 54.274 55.300 -1.260 0.000 1.095 173 M CB 0.266 31.943 32.600 -1.538 0.000 1.963 173 M HN 0.382 nan 8.290 nan 0.000 0.459 174 L N 7.091 127.910 121.223 -0.672 0.000 2.540 174 L HA 0.033 4.376 4.340 0.005 0.000 0.276 174 L C 1.122 177.772 176.870 -0.368 0.000 1.212 174 L CA 1.442 55.932 54.840 -0.583 0.000 0.893 174 L CB 0.053 41.508 42.059 -1.005 0.000 1.138 174 L HN 0.962 nan 8.230 nan 0.000 0.491 175 R N 2.057 122.439 120.500 -0.196 0.000 3.651 175 R HA -0.239 4.104 4.340 0.005 0.000 0.292 175 R C 0.343 176.615 176.300 -0.048 0.000 1.161 175 R CA 0.940 56.988 56.100 -0.087 0.000 0.787 175 R CB -1.861 28.388 30.300 -0.085 0.000 1.249 175 R HN 0.882 nan 8.270 nan 0.000 0.476 176 S N -0.322 115.364 115.700 -0.023 0.000 2.294 176 S HA 0.149 4.622 4.470 0.005 0.000 0.182 176 S C 1.344 176.002 174.600 0.096 0.000 1.053 176 S CA 0.892 59.134 58.200 0.069 0.000 1.161 176 S CB 0.178 63.498 63.200 0.201 0.000 0.890 176 S HN 0.568 nan 8.310 nan 0.000 0.448 177 K N -0.671 119.806 120.400 0.129 0.000 2.864 177 K HA 0.310 4.633 4.320 0.005 0.000 0.192 177 K C 1.377 178.014 176.600 0.061 0.000 1.576 177 K CA 0.308 56.648 56.287 0.090 0.000 1.283 177 K CB 0.051 32.608 32.500 0.096 0.000 1.778 177 K HN 0.275 nan 8.250 nan 0.000 0.611 178 N N 0.405 119.161 118.700 0.094 0.000 2.398 178 N HA 0.022 4.765 4.740 0.005 0.000 0.188 178 N C -0.120 175.342 175.510 -0.080 0.000 1.122 178 N CA 0.050 53.110 53.050 0.017 0.000 0.866 178 N CB 0.554 39.090 38.487 0.080 0.000 0.970 178 N HN 0.103 nan 8.380 nan 0.000 0.462 179 C N -0.010 119.299 119.300 0.016 0.000 2.466 179 C HA 0.202 4.665 4.460 0.005 0.000 0.379 179 C C 1.605 176.589 174.990 -0.009 0.000 1.251 179 C CA -0.715 58.332 59.018 0.048 0.000 2.263 179 C CB -0.466 27.378 27.740 0.173 0.000 2.511 179 C HN 0.469 nan 8.230 nan 0.000 0.573 180 Y N 2.696 123.142 120.300 0.243 0.000 2.145 180 Y HA -0.098 4.455 4.550 0.005 0.000 0.286 180 Y C 2.253 178.236 175.900 0.138 0.000 1.145 180 Y CA 1.663 59.891 58.100 0.213 0.000 1.148 180 Y CB -0.415 38.261 38.460 0.360 0.000 0.981 180 Y HN 0.599 nan 8.280 nan 0.000 0.507 181 L N 0.106 121.487 121.223 0.264 0.000 2.197 181 L HA -0.274 4.069 4.340 0.005 0.000 0.215 181 L C 2.239 179.151 176.870 0.071 0.000 1.095 181 L CA 1.704 56.615 54.840 0.118 0.000 0.764 181 L CB -1.091 40.994 42.059 0.043 0.000 0.897 181 L HN 0.358 nan 8.230 nan 0.000 0.436 182 S N -1.060 114.684 115.700 0.072 0.000 2.653 182 S HA -0.111 4.362 4.470 0.005 0.000 0.233 182 S C 1.049 175.678 174.600 0.048 0.000 0.970 182 S CA 0.855 59.082 58.200 0.046 0.000 0.947 182 S CB -0.129 63.098 63.200 0.045 0.000 0.771 182 S HN 0.542 nan 8.310 nan 0.000 0.538 183 E N -0.038 120.200 120.200 0.064 0.000 2.743 183 E HA 0.468 4.821 4.350 0.005 0.000 0.222 183 E C 0.086 176.713 176.600 0.046 0.000 0.959 183 E CA 0.054 56.488 56.400 0.057 0.000 1.198 183 E CB 1.252 30.998 29.700 0.076 0.000 1.100 183 E HN 0.552 nan 8.360 nan 0.000 0.518 184 A N 1.063 123.904 122.820 0.035 0.000 2.293 184 A HA 0.562 4.885 4.320 0.005 0.000 0.302 184 A C 0.596 178.176 177.584 -0.006 0.000 1.119 184 A CA -0.517 51.530 52.037 0.017 0.000 0.823 184 A CB 0.309 19.315 19.000 0.010 0.000 1.097 184 A HN 0.131 nan 8.150 nan 0.000 0.491 185 T N -0.795 113.754 114.554 -0.009 0.000 2.788 185 T HA 0.248 4.601 4.350 0.005 0.000 0.287 185 T C 0.967 175.648 174.700 -0.032 0.000 1.007 185 T CA 0.203 62.295 62.100 -0.014 0.000 1.005 185 T CB 0.954 69.820 68.868 -0.003 0.000 1.012 185 T HN 0.743 nan 8.240 nan 0.000 0.530 186 E N 0.619 120.801 120.200 -0.030 0.000 2.012 186 E HA -0.178 4.175 4.350 0.005 0.000 0.197 186 E C 2.151 178.759 176.600 0.014 0.000 1.007 186 E CA 1.640 58.011 56.400 -0.048 0.000 0.816 186 E CB -0.316 29.380 29.700 -0.006 0.000 0.762 186 E HN 0.800 nan 8.360 nan 0.000 0.451 187 S N 0.820 116.581 115.700 0.100 0.000 2.537 187 S HA -0.119 4.354 4.470 0.005 0.000 0.240 187 S C 1.293 175.943 174.600 0.083 0.000 0.981 187 S CA 0.812 59.110 58.200 0.164 0.000 0.948 187 S CB -0.033 63.217 63.200 0.084 0.000 0.759 187 S HN 0.261 nan 8.310 nan 0.000 0.531 188 D N 1.518 121.928 120.400 0.017 0.000 2.194 188 D HA 0.090 4.733 4.640 0.005 0.000 0.204 188 D C 1.740 178.010 176.300 -0.049 0.000 0.964 188 D CA 0.631 54.619 54.000 -0.020 0.000 0.846 188 D CB 0.005 40.789 40.800 -0.027 0.000 0.962 188 D HN 0.378 nan 8.370 nan 0.000 0.490 189 L N -0.403 120.769 121.223 -0.085 0.000 2.044 189 L HA -0.138 4.205 4.340 0.005 0.000 0.205 189 L C 2.384 179.176 176.870 -0.130 0.000 1.075 189 L CA 0.812 55.560 54.840 -0.152 0.000 0.747 189 L CB -0.645 41.262 42.059 -0.254 0.000 0.903 189 L HN 0.027 nan 8.230 nan 0.000 0.435 190 Y N 0.397 120.659 120.300 -0.063 0.000 2.193 190 Y HA -0.324 4.229 4.550 0.005 0.000 0.285 190 Y C 2.676 178.536 175.900 -0.067 0.000 1.166 190 Y CA 1.424 59.486 58.100 -0.062 0.000 1.181 190 Y CB -0.308 38.116 38.460 -0.060 0.000 0.976 190 Y HN 0.056 nan 8.280 nan 0.000 0.520 191 K N 0.203 120.650 120.400 0.079 0.000 2.063 191 K HA -0.184 4.139 4.320 0.005 0.000 0.208 191 K C 1.527 178.097 176.600 -0.050 0.000 1.048 191 K CA 1.475 57.761 56.287 -0.001 0.000 0.928 191 K CB -0.358 32.123 32.500 -0.032 0.000 0.713 191 K HN 0.258 nan 8.250 nan 0.000 0.442 192 L N 0.874 122.045 121.223 -0.088 0.000 2.610 192 L HA -0.001 4.342 4.340 0.005 0.000 0.232 192 L C 0.186 177.023 176.870 -0.055 0.000 1.149 192 L CA 0.603 55.368 54.840 -0.124 0.000 0.872 192 L CB -0.233 41.725 42.059 -0.168 0.000 0.992 192 L HN 0.155 nan 8.230 nan 0.000 0.447 193 K N -0.919 119.464 120.400 -0.028 0.000 3.281 193 K HA -0.182 4.141 4.320 0.005 0.000 0.295 193 K C -0.009 176.576 176.600 -0.025 0.000 1.233 193 K CA 0.554 56.835 56.287 -0.010 0.000 0.866 193 K CB -1.228 31.271 32.500 -0.002 0.000 1.265 193 K HN 0.216 nan 8.250 nan 0.000 0.482 194 E N 0.913 121.078 120.200 -0.057 0.000 2.158 194 E HA 0.148 4.501 4.350 0.005 0.000 0.271 194 E C -0.425 176.093 176.600 -0.137 0.000 0.911 194 E CA -0.584 55.777 56.400 -0.066 0.000 0.767 194 E CB 1.662 31.335 29.700 -0.045 0.000 1.120 194 E HN 0.275 nan 8.360 nan 0.000 0.405 195 C N 5.698 124.937 119.300 -0.101 0.000 2.563 195 C HA 0.076 4.539 4.460 0.005 0.000 0.411 195 C C -1.332 173.546 174.990 -0.186 0.000 1.386 195 C CA -1.000 57.943 59.018 -0.126 0.000 1.703 195 C CB -0.206 27.510 27.740 -0.039 0.000 2.596 195 C HN 0.515 nan 8.230 nan 0.000 0.605 196 P HA 0.128 nan 4.420 nan 0.000 0.253 196 P C 0.324 177.398 177.300 -0.377 0.000 1.281 196 P CA 0.975 63.824 63.100 -0.419 0.000 0.792 196 P CB -0.112 31.201 31.700 -0.645 0.000 1.193 197 F N -0.723 119.127 119.950 -0.167 0.000 2.557 197 F HA 0.143 4.673 4.527 0.005 0.000 0.278 197 F C 0.950 176.739 175.800 -0.017 0.000 1.051 197 F CA -0.352 57.571 58.000 -0.128 0.000 1.357 197 F CB -0.255 38.580 39.000 -0.276 0.000 1.104 197 F HN -0.215 nan 8.300 nan 0.000 0.654 198 D N 1.884 122.391 120.400 0.178 0.000 2.581 198 D HA -0.101 4.542 4.640 0.005 0.000 0.238 198 D C 1.234 177.628 176.300 0.157 0.000 1.145 198 D CA 0.318 54.422 54.000 0.173 0.000 0.866 198 D CB 0.620 41.498 40.800 0.129 0.000 1.151 198 D HN 0.146 nan 8.370 nan 0.000 0.500 199 M N 2.529 122.241 119.600 0.187 0.000 2.428 199 M HA 0.280 4.763 4.480 0.005 0.000 0.239 199 M C 1.070 177.433 176.300 0.106 0.000 1.121 199 M CA 0.623 56.002 55.300 0.131 0.000 1.019 199 M CB -0.948 31.727 32.600 0.125 0.000 1.485 199 M HN 0.484 nan 8.290 nan 0.000 0.484 200 G N 1.197 110.118 108.800 0.203 0.000 2.509 200 G HA2 -0.041 3.922 3.960 0.005 0.000 0.259 200 G HA3 -0.041 3.922 3.960 0.005 0.000 0.259 200 G C 0.783 175.787 174.900 0.175 0.000 1.169 200 G CA 1.131 46.278 45.100 0.079 0.000 0.953 200 G HN 1.439 nan 8.290 nan 0.000 0.563 201 G N -2.416 106.334 108.800 -0.083 0.000 2.304 201 G HA2 -0.101 3.862 3.960 0.005 0.000 0.252 201 G HA3 -0.101 3.862 3.960 0.005 0.000 0.252 201 G C 0.745 175.530 174.900 -0.192 0.000 1.014 201 G CA 1.873 46.910 45.100 -0.106 0.000 0.619 201 G HN 2.272 nan 8.290 nan 0.000 0.525 202 Y N -1.003 119.090 120.300 -0.345 0.000 2.518 202 Y HA 0.805 5.358 4.550 0.005 0.000 0.332 202 Y C 0.600 176.134 175.900 -0.610 0.000 1.276 202 Y CA -1.761 56.133 58.100 -0.344 0.000 1.418 202 Y CB 0.535 38.923 38.460 -0.121 0.000 1.527 202 Y HN 0.024 nan 8.280 nan 0.000 0.549 203 F N -0.467 119.499 119.950 0.026 0.000 2.661 203 F HA 0.630 5.160 4.527 0.005 0.000 0.347 203 F C -1.046 174.768 175.800 0.023 0.000 1.086 203 F CA -1.175 56.782 58.000 -0.071 0.000 1.016 203 F CB 1.528 40.524 39.000 -0.006 0.000 1.368 203 F HN 0.142 nan 8.300 nan 0.000 0.505 204 I N 2.956 123.681 120.570 0.258 0.000 2.468 204 I HA 0.328 4.501 4.170 0.005 0.000 0.284 204 I C -1.212 175.031 176.117 0.210 0.000 1.038 204 I CA -0.191 61.234 61.300 0.208 0.000 1.083 204 I CB 1.498 39.575 38.000 0.128 0.000 1.223 204 I HN 0.216 nan 8.210 nan 0.000 0.443 205 I N 6.343 127.018 120.570 0.175 0.000 2.623 205 I HA 0.344 4.517 4.170 0.005 0.000 0.275 205 I C -0.412 175.764 176.117 0.098 0.000 1.108 205 I CA -0.528 60.852 61.300 0.133 0.000 1.120 205 I CB 0.532 38.606 38.000 0.124 0.000 1.249 205 I HN 0.575 nan 8.210 nan 0.000 0.500 206 N N 4.094 122.845 118.700 0.084 0.000 2.643 206 N HA -0.140 4.604 4.740 0.005 0.000 0.267 206 N C 1.033 176.590 175.510 0.080 0.000 1.158 206 N CA 1.054 54.139 53.050 0.059 0.000 0.684 206 N CB -0.929 37.584 38.487 0.044 0.000 0.879 206 N HN 1.010 nan 8.380 nan 0.000 0.553 207 G N 0.070 108.924 108.800 0.091 0.000 2.449 207 G HA2 -0.223 3.740 3.960 0.005 0.000 0.304 207 G HA3 -0.223 3.740 3.960 0.005 0.000 0.304 207 G C 0.040 175.011 174.900 0.118 0.000 0.962 207 G CA 1.255 46.423 45.100 0.114 0.000 0.943 207 G HN 1.725 nan 8.290 nan 0.000 0.514 208 S N -1.321 114.452 115.700 0.121 0.000 2.649 208 S HA 0.555 5.028 4.470 0.005 0.000 0.274 208 S C -0.439 174.250 174.600 0.148 0.000 1.176 208 S CA -0.721 57.547 58.200 0.114 0.000 0.988 208 S CB 1.756 65.007 63.200 0.084 0.000 1.071 208 S HN 0.389 nan 8.310 nan 0.000 0.478 209 E N 2.760 123.056 120.200 0.161 0.000 2.437 209 E HA 0.234 4.587 4.350 0.005 0.000 0.263 209 E C -0.346 176.375 176.600 0.201 0.000 1.030 209 E CA -0.072 56.477 56.400 0.249 0.000 0.934 209 E CB 0.451 30.221 29.700 0.117 0.000 0.943 209 E HN 0.407 nan 8.360 nan 0.000 0.444 210 K N 1.574 122.142 120.400 0.280 0.000 2.482 210 K HA 0.378 4.701 4.320 0.005 0.000 0.251 210 K C -1.084 175.682 176.600 0.276 0.000 0.936 210 K CA -0.762 55.669 56.287 0.239 0.000 0.791 210 K CB 2.136 34.779 32.500 0.238 0.000 1.213 210 K HN 0.218 nan 8.250 nan 0.000 0.428 211 V N 3.441 123.475 119.914 0.200 0.000 2.532 211 V HA 0.424 4.547 4.120 0.005 0.000 0.295 211 V C 0.363 176.514 176.094 0.095 0.000 1.041 211 V CA -1.021 61.364 62.300 0.142 0.000 0.926 211 V CB 1.476 33.347 31.823 0.081 0.000 0.992 211 V HN 0.548 nan 8.190 nan 0.000 0.457 212 L N 4.928 126.196 121.223 0.076 0.000 2.305 212 L HA 0.475 4.818 4.340 0.005 0.000 0.281 212 L C -0.247 176.553 176.870 -0.116 0.000 1.085 212 L CA -0.144 54.668 54.840 -0.047 0.000 0.813 212 L CB 0.949 43.015 42.059 0.011 0.000 1.157 212 L HN 0.453 nan 8.230 nan 0.000 0.436 213 I N 3.132 123.598 120.570 -0.173 0.000 2.353 213 I HA 0.268 4.441 4.170 0.005 0.000 0.293 213 I C 0.710 176.738 176.117 -0.149 0.000 0.992 213 I CA -0.618 60.577 61.300 -0.175 0.000 1.268 213 I CB 1.639 39.534 38.000 -0.174 0.000 1.387 213 I HN 0.635 nan 8.210 nan 0.000 0.478 214 A N 7.195 129.947 122.820 -0.114 0.000 2.540 214 A HA 0.054 4.377 4.320 0.005 0.000 0.264 214 A C 0.321 177.862 177.584 -0.070 0.000 1.080 214 A CA -0.096 51.894 52.037 -0.079 0.000 0.776 214 A CB -0.258 18.710 19.000 -0.054 0.000 1.011 214 A HN 0.643 nan 8.150 nan 0.000 0.514 215 Q N 1.455 121.213 119.800 -0.070 0.000 2.299 215 Q HA 0.314 4.657 4.340 0.005 0.000 0.246 215 Q C -0.070 175.914 176.000 -0.026 0.000 0.935 215 Q CA 0.045 55.819 55.803 -0.050 0.000 0.887 215 Q CB 1.195 29.901 28.738 -0.053 0.000 1.223 215 Q HN 0.833 nan 8.270 nan 0.000 0.439 216 E N 1.283 121.477 120.200 -0.010 0.000 2.179 216 E HA 0.504 4.857 4.350 0.005 0.000 0.275 216 E C -0.926 175.672 176.600 -0.005 0.000 0.945 216 E CA -0.595 55.803 56.400 -0.003 0.000 0.792 216 E CB 1.116 30.839 29.700 0.040 0.000 1.125 216 E HN 0.510 nan 8.360 nan 0.000 0.397 217 R N 1.096 121.584 120.500 -0.019 0.000 2.643 217 R HA 0.403 4.746 4.340 0.005 0.000 0.269 217 R C -1.075 175.214 176.300 -0.018 0.000 1.037 217 R CA -0.859 55.237 56.100 -0.007 0.000 0.894 217 R CB 1.435 31.736 30.300 0.002 0.000 1.238 217 R HN 0.279 nan 8.270 nan 0.000 0.459 218 S N 1.316 117.017 115.700 0.000 0.000 2.537 218 S HA 0.320 4.793 4.470 0.005 0.000 0.286 218 S C 0.428 175.026 174.600 -0.003 0.000 1.299 218 S CA 0.106 58.309 58.200 0.005 0.000 1.067 218 S CB 0.168 63.388 63.200 0.033 0.000 0.864 218 S HN 0.699 nan 8.310 nan 0.000 0.494 219 A N 4.276 127.084 122.820 -0.021 0.000 2.555 219 A HA 0.478 4.801 4.320 0.005 0.000 0.233 219 A C 0.970 178.556 177.584 0.003 0.000 1.060 219 A CA 0.239 52.261 52.037 -0.024 0.000 0.759 219 A CB -0.281 18.685 19.000 -0.056 0.000 0.995 219 A HN 0.967 nan 8.150 nan 0.000 0.506 220 G N -0.278 108.525 108.800 0.005 0.000 2.580 220 G HA2 0.413 4.376 3.960 0.005 0.000 0.278 220 G HA3 0.413 4.376 3.960 0.005 0.000 0.278 220 G C 0.223 175.116 174.900 -0.012 0.000 1.212 220 G CA 0.037 45.132 45.100 -0.008 0.000 0.939 220 G HN 1.044 nan 8.290 nan 0.000 0.513 221 N N -2.189 116.453 118.700 -0.095 0.000 2.713 221 N HA -0.200 4.543 4.740 0.005 0.000 0.251 221 N C 0.061 175.582 175.510 0.019 0.000 1.117 221 N CA 1.649 54.581 53.050 -0.197 0.000 0.770 221 N CB -1.724 36.590 38.487 -0.289 0.000 1.137 221 N HN 0.858 nan 8.380 nan 0.000 0.566 222 I N -4.781 115.836 120.570 0.078 0.000 2.646 222 I HA 0.623 4.796 4.170 0.005 0.000 0.299 222 I C 0.331 176.507 176.117 0.098 0.000 1.036 222 I CA -1.361 60.020 61.300 0.134 0.000 1.074 222 I CB 2.098 40.176 38.000 0.130 0.000 1.258 222 I HN -0.192 nan 8.210 nan 0.000 0.430 223 V N 4.799 124.782 119.914 0.115 0.000 2.508 223 V HA 0.345 4.468 4.120 0.005 0.000 0.281 223 V C -0.349 175.697 176.094 -0.081 0.000 1.041 223 V CA 0.520 62.856 62.300 0.061 0.000 1.016 223 V CB 0.845 32.737 31.823 0.115 0.000 0.984 223 V HN 0.922 nan 8.190 nan 0.000 0.478 224 Q N 4.562 124.243 119.800 -0.198 0.000 2.323 224 Q HA 0.561 4.904 4.340 0.005 0.000 0.271 224 Q C -1.299 174.313 176.000 -0.646 0.000 1.048 224 Q CA -0.691 54.821 55.803 -0.484 0.000 0.792 224 Q CB 2.642 30.959 28.738 -0.703 0.000 1.280 224 Q HN 0.689 nan 8.270 nan 0.000 0.441 225 V N 2.858 122.446 119.914 -0.543 0.000 2.406 225 V HA 0.412 4.535 4.120 0.005 0.000 0.272 225 V C -0.592 175.308 176.094 -0.322 0.000 1.043 225 V CA -0.204 61.904 62.300 -0.321 0.000 0.915 225 V CB 0.167 31.922 31.823 -0.113 0.000 0.988 225 V HN 0.678 nan 8.190 nan 0.000 0.466 226 F N 3.553 123.517 119.950 0.024 0.000 2.451 226 F HA 0.388 4.918 4.527 0.005 0.000 0.367 226 F C 0.854 176.603 175.800 -0.085 0.000 1.100 226 F CA -1.050 56.938 58.000 -0.020 0.000 1.171 226 F CB 1.149 40.141 39.000 -0.013 0.000 1.405 226 F HN 0.405 nan 8.300 nan 0.000 0.482 227 K N 4.067 124.486 120.400 0.030 0.000 2.440 227 K HA -0.000 4.323 4.320 0.005 0.000 0.275 227 K C 0.162 176.685 176.600 -0.128 0.000 1.082 227 K CA 0.496 56.642 56.287 -0.236 0.000 1.135 227 K CB 0.602 32.966 32.500 -0.226 0.000 0.864 227 K HN 0.578 nan 8.250 nan 0.000 0.479 228 K N 1.168 121.480 120.400 -0.147 0.000 2.127 228 K HA 0.342 4.665 4.320 0.005 0.000 0.240 228 K C 0.350 176.900 176.600 -0.084 0.000 1.024 228 K CA -0.657 55.579 56.287 -0.085 0.000 0.918 228 K CB 1.004 33.467 32.500 -0.061 0.000 1.108 228 K HN 0.625 nan 8.250 nan 0.000 0.485 229 A N 0.421 123.202 122.820 -0.064 0.000 2.292 229 A HA 0.333 4.656 4.320 0.005 0.000 0.265 229 A C 1.070 178.628 177.584 -0.043 0.000 1.133 229 A CA 0.750 52.756 52.037 -0.052 0.000 0.807 229 A CB -0.019 18.954 19.000 -0.046 0.000 1.102 229 A HN 0.826 nan 8.150 nan 0.000 0.502 230 A N 0.198 122.999 122.820 -0.032 0.000 1.841 230 A HA 0.053 4.376 4.320 0.005 0.000 0.214 230 A C -0.047 177.525 177.584 -0.020 0.000 1.195 230 A CA 1.685 53.709 52.037 -0.022 0.000 0.611 230 A CB -1.649 17.341 19.000 -0.016 0.000 0.835 230 A HN 0.665 nan 8.150 nan 0.000 0.443 231 P HA 0.038 nan 4.420 nan 0.000 0.242 231 P C 0.299 177.583 177.300 -0.027 0.000 1.197 231 P CA 0.903 63.992 63.100 -0.019 0.000 0.765 231 P CB -0.380 31.310 31.700 -0.016 0.000 0.936 232 S N 0.892 116.569 115.700 -0.038 0.000 2.554 232 S HA 0.350 4.823 4.470 0.005 0.000 0.278 232 S C -1.215 173.343 174.600 -0.070 0.000 1.242 232 S CA -1.238 56.927 58.200 -0.057 0.000 1.051 232 S CB 1.444 64.605 63.200 -0.065 0.000 0.986 232 S HN -0.127 nan 8.310 nan 0.000 0.502 233 P HA 0.043 nan 4.420 nan 0.000 0.216 233 P C 0.444 177.641 177.300 -0.172 0.000 1.153 233 P CA 0.576 63.599 63.100 -0.128 0.000 0.844 233 P CB -0.230 31.360 31.700 -0.183 0.000 0.787 234 I N 1.308 121.717 120.570 -0.267 0.000 2.648 234 I HA -0.017 4.156 4.170 0.005 0.000 0.284 234 I C 1.774 177.855 176.117 -0.060 0.000 1.153 234 I CA 0.477 61.659 61.300 -0.197 0.000 1.426 234 I CB 0.055 37.941 38.000 -0.191 0.000 1.381 234 I HN 0.073 nan 8.210 nan 0.000 0.571 235 S N 4.502 120.223 115.700 0.035 0.000 2.527 235 S HA 0.181 4.654 4.470 0.005 0.000 0.227 235 S C 0.530 175.111 174.600 -0.030 0.000 1.059 235 S CA -0.019 58.215 58.200 0.057 0.000 0.919 235 S CB 0.216 63.540 63.200 0.207 0.000 0.805 235 S HN 0.720 nan 8.310 nan 0.000 0.500 236 H N 0.604 119.686 119.070 0.020 0.000 2.806 236 H HA 0.662 5.221 4.556 0.005 0.000 0.367 236 H C -1.404 173.951 175.328 0.045 0.000 1.136 236 H CA -0.854 55.215 56.048 0.035 0.000 1.178 236 H CB 2.410 32.185 29.762 0.020 0.000 1.718 236 H HN 0.200 nan 8.280 nan 0.000 0.540 237 V N -0.266 119.749 119.914 0.169 0.000 2.823 237 V HA 0.800 4.923 4.120 0.005 0.000 0.312 237 V C -0.140 176.004 176.094 0.084 0.000 1.072 237 V CA -1.121 61.260 62.300 0.135 0.000 0.937 237 V CB 1.638 33.550 31.823 0.147 0.000 1.013 237 V HN 0.894 nan 8.190 nan 0.000 0.430 238 A N 2.333 125.185 122.820 0.053 0.000 2.287 238 A HA 0.778 5.101 4.320 0.005 0.000 0.317 238 A C -0.313 177.286 177.584 0.024 0.000 1.220 238 A CA -0.516 51.513 52.037 -0.014 0.000 0.835 238 A CB 0.657 19.653 19.000 -0.007 0.000 1.180 238 A HN 0.919 nan 8.150 nan 0.000 0.500 239 E N 0.886 121.073 120.200 -0.021 0.000 2.212 239 E HA 0.676 5.029 4.350 0.005 0.000 0.270 239 E C -1.429 175.207 176.600 0.059 0.000 0.956 239 E CA -0.607 55.830 56.400 0.061 0.000 0.825 239 E CB 2.447 32.241 29.700 0.156 0.000 1.167 239 E HN 0.597 nan 8.360 nan 0.000 0.400 240 I N 1.821 122.442 120.570 0.084 0.000 2.608 240 I HA 0.170 4.343 4.170 0.005 0.000 0.280 240 I C -1.159 174.982 176.117 0.040 0.000 1.186 240 I CA -0.296 61.050 61.300 0.077 0.000 1.081 240 I CB 0.718 38.801 38.000 0.138 0.000 1.272 240 I HN 0.367 nan 8.210 nan 0.000 0.460 241 R N 4.678 125.193 120.500 0.025 0.000 2.343 241 R HA 0.300 4.643 4.340 0.005 0.000 0.326 241 R C -0.177 176.090 176.300 -0.056 0.000 1.055 241 R CA -0.033 56.069 56.100 0.002 0.000 0.961 241 R CB 0.554 30.863 30.300 0.015 0.000 0.978 241 R HN 0.630 nan 8.270 nan 0.000 0.443 242 S N 1.511 117.175 115.700 -0.059 0.000 2.456 242 S HA 0.769 5.242 4.470 0.005 0.000 0.316 242 S C -0.476 174.093 174.600 -0.051 0.000 1.089 242 S CA -0.828 57.301 58.200 -0.119 0.000 1.101 242 S CB 2.128 65.297 63.200 -0.053 0.000 0.995 242 S HN 0.644 nan 8.310 nan 0.000 0.468 243 A N 2.722 125.502 122.820 -0.067 0.000 2.587 243 A HA 0.768 5.091 4.320 0.005 0.000 0.293 243 A C -1.593 175.999 177.584 0.013 0.000 1.087 243 A CA -0.991 51.047 52.037 0.002 0.000 0.692 243 A CB 1.033 20.042 19.000 0.016 0.000 1.291 243 A HN 0.780 nan 8.150 nan 0.000 0.407 244 L N 1.200 122.446 121.223 0.038 0.000 2.305 244 L HA 0.462 4.805 4.340 0.005 0.000 0.284 244 L C 1.343 178.240 176.870 0.045 0.000 1.013 244 L CA -0.304 54.557 54.840 0.036 0.000 0.819 244 L CB 1.399 43.469 42.059 0.017 0.000 1.227 244 L HN 1.017 nan 8.230 nan 0.000 0.417 245 E N 3.039 123.266 120.200 0.044 0.000 2.209 245 E HA -0.245 4.108 4.350 0.005 0.000 0.196 245 E C 0.687 177.323 176.600 0.059 0.000 0.993 245 E CA 1.859 58.291 56.400 0.053 0.000 0.819 245 E CB 0.077 29.809 29.700 0.053 0.000 0.745 245 E HN 0.718 nan 8.360 nan 0.000 0.477 246 K N -0.421 120.010 120.400 0.051 0.000 2.646 246 K HA 0.389 4.712 4.320 0.005 0.000 0.206 246 K C -0.083 176.553 176.600 0.060 0.000 1.069 246 K CA -0.136 56.184 56.287 0.055 0.000 1.067 246 K CB 1.291 33.817 32.500 0.042 0.000 0.807 246 K HN 0.092 nan 8.250 nan 0.000 0.482 247 G N 0.347 109.188 108.800 0.068 0.000 2.738 247 G HA2 0.445 4.408 3.960 0.005 0.000 0.281 247 G HA3 0.445 4.408 3.960 0.005 0.000 0.281 247 G C -0.554 174.420 174.900 0.123 0.000 1.527 247 G CA -0.327 44.818 45.100 0.075 0.000 1.132 247 G HN 0.164 nan 8.290 nan 0.000 0.569 248 S N 0.168 115.961 115.700 0.155 0.000 3.330 248 S HA -0.274 4.199 4.470 0.005 0.000 0.630 248 S C 0.708 175.424 174.600 0.194 0.000 2.776 248 S CA 1.312 59.644 58.200 0.219 0.000 3.494 248 S CB -0.375 63.067 63.200 0.404 0.000 0.291 248 S HN 1.169 nan 8.310 nan 0.000 1.451 249 R N 0.250 120.877 120.500 0.212 0.000 2.734 249 R HA 0.436 4.779 4.340 0.005 0.000 0.242 249 R C -1.520 174.797 176.300 0.028 0.000 1.617 249 R CA 0.084 56.247 56.100 0.104 0.000 1.572 249 R CB -0.228 30.089 30.300 0.029 0.000 1.477 249 R HN 0.407 nan 8.270 nan 0.000 0.707 250 F N 2.618 122.566 119.950 -0.003 0.000 2.640 250 F HA 0.324 4.854 4.527 0.005 0.000 0.331 250 F C 0.492 176.271 175.800 -0.035 0.000 1.200 250 F CA -0.595 57.392 58.000 -0.022 0.000 1.278 250 F CB 0.486 39.471 39.000 -0.025 0.000 1.571 250 F HN 0.144 nan 8.300 nan 0.000 0.576 251 I N 1.474 122.081 120.570 0.062 0.000 2.725 251 I HA -0.106 4.067 4.170 0.005 0.000 0.296 251 I C 0.866 176.993 176.117 0.015 0.000 1.155 251 I CA 0.599 61.920 61.300 0.035 0.000 1.450 251 I CB -0.703 37.306 38.000 0.015 0.000 1.478 251 I HN 0.206 nan 8.210 nan 0.000 0.642 252 S N 5.732 121.446 115.700 0.023 0.000 2.465 252 S HA 0.381 4.854 4.470 0.005 0.000 0.279 252 S C 0.261 174.862 174.600 0.002 0.000 1.201 252 S CA -0.537 57.660 58.200 -0.005 0.000 1.053 252 S CB 0.244 63.439 63.200 -0.008 0.000 0.953 252 S HN 0.615 nan 8.310 nan 0.000 0.488 253 T N 5.112 119.670 114.554 0.007 0.000 2.772 253 T HA 0.503 4.856 4.350 0.005 0.000 0.288 253 T C -0.491 174.235 174.700 0.043 0.000 0.994 253 T CA -0.674 61.442 62.100 0.026 0.000 0.951 253 T CB 0.913 69.800 68.868 0.032 0.000 0.933 253 T HN 0.555 nan 8.240 nan 0.000 0.447 254 L N 3.163 124.418 121.223 0.053 0.000 2.296 254 L HA 0.494 4.837 4.340 0.005 0.000 0.286 254 L C -0.417 176.510 176.870 0.095 0.000 1.023 254 L CA -0.292 54.596 54.840 0.079 0.000 0.812 254 L CB 1.521 43.622 42.059 0.069 0.000 1.223 254 L HN 0.647 nan 8.230 nan 0.000 0.421 255 Q N 3.507 123.369 119.800 0.104 0.000 2.312 255 Q HA 0.526 4.869 4.340 0.005 0.000 0.263 255 Q C -1.145 174.923 176.000 0.114 0.000 0.995 255 Q CA -0.854 55.013 55.803 0.107 0.000 0.853 255 Q CB 2.658 31.458 28.738 0.103 0.000 1.300 255 Q HN 0.515 nan 8.270 nan 0.000 0.448 256 V N 3.016 122.994 119.914 0.107 0.000 2.204 256 V HA 0.207 4.330 4.120 0.005 0.000 0.264 256 V C 0.011 176.171 176.094 0.111 0.000 1.106 256 V CA -0.657 61.704 62.300 0.102 0.000 0.947 256 V CB -0.094 31.778 31.823 0.082 0.000 1.164 256 V HN 0.648 nan 8.190 nan 0.000 0.461 257 K N 2.178 122.662 120.400 0.140 0.000 2.285 257 K HA 0.369 4.692 4.320 0.005 0.000 0.255 257 K C -0.434 176.279 176.600 0.188 0.000 1.000 257 K CA -0.164 56.225 56.287 0.170 0.000 0.887 257 K CB 0.456 33.111 32.500 0.258 0.000 0.997 257 K HN 0.394 nan 8.250 nan 0.000 0.510 258 L N 1.977 123.320 121.223 0.199 0.000 2.595 258 L HA 0.255 4.598 4.340 0.005 0.000 0.259 258 L C -1.625 175.381 176.870 0.228 0.000 1.033 258 L CA -0.349 54.615 54.840 0.207 0.000 0.901 258 L CB 0.226 42.363 42.059 0.129 0.000 1.151 258 L HN 0.417 nan 8.230 nan 0.000 0.453 259 Y N 2.762 123.094 120.300 0.053 0.000 2.335 259 Y HA 0.542 5.095 4.550 0.005 0.000 0.348 259 Y C 1.421 177.348 175.900 0.046 0.000 1.280 259 Y CA 0.644 58.773 58.100 0.048 0.000 1.504 259 Y CB 0.560 39.044 38.460 0.040 0.000 1.366 259 Y HN 0.862 nan 8.280 nan 0.000 0.621 260 G N 2.071 110.981 108.800 0.183 0.000 3.399 260 G HA2 -0.162 3.801 3.960 0.005 0.000 0.685 260 G HA3 -0.162 3.801 3.960 0.005 0.000 0.685 260 G C -0.288 174.663 174.900 0.085 0.000 0.952 260 G CA -1.015 44.155 45.100 0.117 0.000 0.793 260 G HN 0.510 nan 8.290 nan 0.000 0.492 261 R N 0.860 121.398 120.500 0.063 0.000 2.840 261 R HA 0.173 4.516 4.340 0.005 0.000 0.282 261 R C 0.899 177.234 176.300 0.058 0.000 1.133 261 R CA -0.434 55.699 56.100 0.054 0.000 1.208 261 R CB 0.266 30.588 30.300 0.037 0.000 1.160 261 R HN 0.706 nan 8.270 nan 0.000 0.576 262 E N 0.617 120.851 120.200 0.056 0.000 2.415 262 E HA 0.003 4.356 4.350 0.005 0.000 0.260 262 E C 0.725 177.348 176.600 0.038 0.000 1.016 262 E CA 1.203 57.633 56.400 0.049 0.000 0.924 262 E CB 0.431 30.160 29.700 0.048 0.000 0.961 262 E HN 0.729 nan 8.360 nan 0.000 0.459 263 G N 3.968 112.789 108.800 0.035 0.000 3.079 263 G HA2 -0.320 3.643 3.960 0.005 0.000 0.214 263 G HA3 -0.320 3.643 3.960 0.005 0.000 0.214 263 G C 0.478 175.399 174.900 0.035 0.000 1.335 263 G CA 0.243 45.362 45.100 0.032 0.000 0.822 263 G HN 0.694 nan 8.290 nan 0.000 0.545 264 S N 2.174 117.897 115.700 0.038 0.000 3.631 264 S HA 0.318 4.791 4.470 0.005 0.000 0.431 264 S C 1.140 175.765 174.600 0.043 0.000 1.132 264 S CA 1.142 59.367 58.200 0.042 0.000 1.188 264 S CB -0.611 62.619 63.200 0.050 0.000 0.805 264 S HN 2.019 nan 8.310 nan 0.000 0.526 265 S N 4.723 120.445 115.700 0.037 0.000 2.552 265 S HA 0.447 4.920 4.470 0.005 0.000 0.289 265 S C 0.493 175.115 174.600 0.037 0.000 1.304 265 S CA -0.299 57.922 58.200 0.035 0.000 1.063 265 S CB 0.369 63.587 63.200 0.029 0.000 0.848 265 S HN 2.256 nan 8.310 nan 0.000 0.499 266 A N 2.629 125.470 122.820 0.035 0.000 1.677 266 A HA -0.113 4.210 4.320 0.005 0.000 0.219 266 A C 0.375 177.985 177.584 0.044 0.000 1.295 266 A CA -0.046 52.011 52.037 0.033 0.000 0.647 266 A CB -1.346 17.668 19.000 0.023 0.000 1.201 266 A HN 0.837 nan 8.150 nan 0.000 0.214 267 R N 2.080 122.606 120.500 0.043 0.000 3.657 267 R HA 0.147 4.490 4.340 0.005 0.000 0.220 267 R C 0.785 177.117 176.300 0.055 0.000 1.548 267 R CA 0.544 56.677 56.100 0.056 0.000 1.465 267 R CB 0.106 30.430 30.300 0.040 0.000 1.330 267 R HN 0.912 nan 8.270 nan 0.000 0.707 268 T N 1.571 116.155 114.554 0.050 0.000 2.867 268 T HA 0.133 4.486 4.350 0.005 0.000 0.297 268 T C 0.521 175.248 174.700 0.045 0.000 0.989 268 T CA -0.066 62.045 62.100 0.018 0.000 1.159 268 T CB 0.143 68.984 68.868 -0.045 0.000 0.928 268 T HN 0.330 nan 8.240 nan 0.000 0.538 269 I N 5.942 126.536 120.570 0.039 0.000 2.330 269 I HA 0.363 4.536 4.170 0.005 0.000 0.286 269 I C 0.678 176.820 176.117 0.042 0.000 1.025 269 I CA -0.708 60.632 61.300 0.067 0.000 1.197 269 I CB 1.020 39.054 38.000 0.057 0.000 1.358 269 I HN 0.597 nan 8.210 nan 0.000 0.467 270 K N 4.426 124.862 120.400 0.060 0.000 2.288 270 K HA 0.919 5.242 4.320 0.005 0.000 0.234 270 K C -0.635 176.015 176.600 0.084 0.000 1.037 270 K CA -0.826 55.480 56.287 0.032 0.000 0.914 270 K CB 2.149 34.616 32.500 -0.055 0.000 1.197 270 K HN 0.616 nan 8.250 nan 0.000 0.471 271 A N 0.394 123.254 122.820 0.066 0.000 2.539 271 A HA 0.546 4.869 4.320 0.005 0.000 0.296 271 A C -1.078 176.555 177.584 0.082 0.000 1.073 271 A CA -0.704 51.384 52.037 0.085 0.000 0.700 271 A CB 1.563 20.607 19.000 0.072 0.000 1.296 271 A HN 0.540 nan 8.150 nan 0.000 0.405 272 T N 1.478 116.092 114.554 0.100 0.000 2.875 272 T HA 0.638 4.991 4.350 0.005 0.000 0.284 272 T C -0.425 174.333 174.700 0.096 0.000 0.995 272 T CA -0.098 62.054 62.100 0.087 0.000 1.060 272 T CB 0.508 69.430 68.868 0.090 0.000 0.967 272 T HN 0.448 nan 8.240 nan 0.000 0.476 273 L N 3.727 124.994 121.223 0.073 0.000 2.386 273 L HA 0.465 4.808 4.340 0.005 0.000 0.271 273 L C -2.299 174.610 176.870 0.065 0.000 0.993 273 L CA -2.578 52.315 54.840 0.089 0.000 0.819 273 L CB 1.896 43.986 42.059 0.051 0.000 1.294 273 L HN 0.380 nan 8.230 nan 0.000 0.414 274 P HA -0.067 nan 4.420 nan 0.000 0.262 274 P C -0.521 176.801 177.300 0.038 0.000 1.182 274 P CA 0.445 63.530 63.100 -0.025 0.000 0.761 274 P CB 0.242 31.877 31.700 -0.108 0.000 0.795 275 Y N -1.029 119.286 120.300 0.025 0.000 4.936 275 Y HA -0.219 4.334 4.550 0.005 0.000 0.260 275 Y C 0.758 176.672 175.900 0.023 0.000 0.928 275 Y CA 0.076 58.188 58.100 0.020 0.000 1.869 275 Y CB -2.358 36.085 38.460 -0.030 0.000 1.344 275 Y HN 0.333 nan 8.280 nan 0.000 0.521 276 I N 0.674 121.333 120.570 0.149 0.000 2.428 276 I HA 0.124 4.297 4.170 0.005 0.000 0.296 276 I C 1.394 177.547 176.117 0.060 0.000 0.985 276 I CA -0.253 61.092 61.300 0.076 0.000 1.260 276 I CB 1.307 39.312 38.000 0.008 0.000 1.389 276 I HN -0.043 nan 8.210 nan 0.000 0.484 277 K N 3.258 123.682 120.400 0.039 0.000 2.209 277 K HA -0.092 4.231 4.320 0.005 0.000 0.204 277 K C 0.678 177.286 176.600 0.013 0.000 1.048 277 K CA 1.077 57.381 56.287 0.030 0.000 0.940 277 K CB 0.080 32.591 32.500 0.019 0.000 0.729 277 K HN 0.552 nan 8.250 nan 0.000 0.451 278 Q N -0.635 119.154 119.800 -0.018 0.000 3.110 278 Q HA 0.154 4.497 4.340 0.005 0.000 0.360 278 Q C -1.518 174.476 176.000 -0.011 0.000 0.820 278 Q CA -0.837 54.960 55.803 -0.010 0.000 0.845 278 Q CB 1.837 30.556 28.738 -0.031 0.000 1.357 278 Q HN -0.075 nan 8.270 nan 0.000 0.480 279 D N 1.064 121.462 120.400 -0.003 0.000 2.248 279 D HA 0.437 5.081 4.640 0.005 0.000 0.246 279 D C -0.751 175.529 176.300 -0.034 0.000 1.027 279 D CA -0.236 53.769 54.000 0.008 0.000 0.853 279 D CB 1.530 42.367 40.800 0.062 0.000 1.243 279 D HN 0.314 nan 8.370 nan 0.000 0.462 280 I N 2.266 122.818 120.570 -0.030 0.000 2.439 280 I HA 0.244 4.417 4.170 0.005 0.000 0.285 280 I C -2.439 173.684 176.117 0.011 0.000 1.021 280 I CA -2.483 58.801 61.300 -0.026 0.000 1.091 280 I CB 1.281 39.224 38.000 -0.095 0.000 1.242 280 I HN -0.135 nan 8.210 nan 0.000 0.439 281 P HA 0.038 nan 4.420 nan 0.000 0.266 281 P C 1.230 178.546 177.300 0.027 0.000 1.193 281 P CA 0.080 63.198 63.100 0.031 0.000 0.770 281 P CB 0.674 32.400 31.700 0.044 0.000 0.836 282 I N 1.613 122.196 120.570 0.021 0.000 2.761 282 I HA -0.135 4.038 4.170 0.005 0.000 0.261 282 I C 1.449 177.599 176.117 0.055 0.000 1.198 282 I CA 1.001 62.286 61.300 -0.025 0.000 1.482 282 I CB -0.914 37.052 38.000 -0.056 0.000 1.100 282 I HN 0.111 nan 8.210 nan 0.000 0.445 283 V N -0.408 119.587 119.914 0.135 0.000 2.453 283 V HA -0.089 4.034 4.120 0.005 0.000 0.247 283 V C 2.481 178.659 176.094 0.140 0.000 1.048 283 V CA 1.293 63.709 62.300 0.193 0.000 1.049 283 V CB -1.112 30.794 31.823 0.137 0.000 0.672 283 V HN 0.466 nan 8.190 nan 0.000 0.457 284 I N 0.050 120.677 120.570 0.096 0.000 2.127 284 I HA -0.210 3.963 4.170 0.005 0.000 0.241 284 I C 2.738 178.885 176.117 0.050 0.000 1.075 284 I CA 1.838 63.191 61.300 0.089 0.000 1.334 284 I CB -0.468 37.616 38.000 0.140 0.000 1.040 284 I HN 0.236 nan 8.210 nan 0.000 0.405 285 I N 0.768 121.335 120.570 -0.006 0.000 2.091 285 I HA -0.353 3.820 4.170 0.005 0.000 0.239 285 I C 2.646 178.727 176.117 -0.060 0.000 1.061 285 I CA 2.060 63.292 61.300 -0.113 0.000 1.317 285 I CB -1.181 36.692 38.000 -0.211 0.000 1.031 285 I HN 0.186 nan 8.210 nan 0.000 0.401 286 F N 0.771 120.678 119.950 -0.071 0.000 2.192 286 F HA -0.290 4.240 4.527 0.005 0.000 0.301 286 F C 2.811 178.546 175.800 -0.108 0.000 1.079 286 F CA 1.014 58.956 58.000 -0.097 0.000 1.303 286 F CB -0.120 38.826 39.000 -0.089 0.000 1.024 286 F HN 0.080 nan 8.300 nan 0.000 0.494 287 R N -0.214 120.364 120.500 0.131 0.000 2.062 287 R HA -0.077 4.266 4.340 0.005 0.000 0.229 287 R C 2.406 178.721 176.300 0.024 0.000 1.128 287 R CA 1.080 57.210 56.100 0.050 0.000 0.960 287 R CB -0.649 29.680 30.300 0.047 0.000 0.855 287 R HN 0.194 nan 8.270 nan 0.000 0.432 288 A N 0.793 123.618 122.820 0.009 0.000 2.076 288 A HA -0.128 4.195 4.320 0.005 0.000 0.220 288 A C 2.004 179.568 177.584 -0.034 0.000 1.160 288 A CA 1.099 53.122 52.037 -0.022 0.000 0.653 288 A CB -0.469 18.496 19.000 -0.058 0.000 0.801 288 A HN 0.238 nan 8.150 nan 0.000 0.455 289 L N -2.074 119.137 121.223 -0.020 0.000 2.313 289 L HA 0.091 4.434 4.340 0.005 0.000 0.214 289 L C 1.716 178.599 176.870 0.021 0.000 1.119 289 L CA 0.913 55.758 54.840 0.008 0.000 0.809 289 L CB -0.041 42.056 42.059 0.064 0.000 0.933 289 L HN 0.621 nan 8.230 nan 0.000 0.449 290 G N 0.218 109.021 108.800 0.006 0.000 2.164 290 G HA2 -0.171 3.792 3.960 0.005 0.000 0.154 290 G HA3 -0.171 3.792 3.960 0.005 0.000 0.154 290 G C -0.221 174.661 174.900 -0.030 0.000 1.014 290 G CA -0.519 44.580 45.100 -0.003 0.000 0.683 290 G HN 0.148 nan 8.290 nan 0.000 0.500 291 I N 1.594 122.122 120.570 -0.070 0.000 2.330 291 I HA 0.473 4.646 4.170 0.005 0.000 0.289 291 I C 1.278 177.341 176.117 -0.090 0.000 1.001 291 I CA -0.977 60.243 61.300 -0.133 0.000 1.193 291 I CB 1.170 38.958 38.000 -0.354 0.000 1.345 291 I HN -0.109 nan 8.210 nan 0.000 0.461 292 I N 5.844 126.377 120.570 -0.062 0.000 2.556 292 I HA 0.131 4.304 4.170 0.005 0.000 0.251 292 I C -1.472 174.622 176.117 -0.038 0.000 1.105 292 I CA 0.367 61.647 61.300 -0.035 0.000 1.436 292 I CB -1.670 36.318 38.000 -0.020 0.000 1.139 292 I HN 0.370 nan 8.210 nan 0.000 0.438 293 P HA 0.120 nan 4.420 nan 0.000 0.276 293 P C -0.416 176.851 177.300 -0.054 0.000 1.252 293 P CA -0.242 62.830 63.100 -0.047 0.000 0.802 293 P CB 0.825 32.494 31.700 -0.051 0.000 1.035 294 D N -0.217 120.163 120.400 -0.033 0.000 2.232 294 D HA 0.089 4.732 4.640 0.005 0.000 0.242 294 D C 1.793 178.060 176.300 -0.054 0.000 1.330 294 D CA 1.172 55.154 54.000 -0.030 0.000 0.954 294 D CB -0.616 40.181 40.800 -0.005 0.000 1.202 294 D HN 0.690 nan 8.370 nan 0.000 0.530 295 G N -0.053 108.719 108.800 -0.047 0.000 3.019 295 G HA2 -0.471 3.492 3.960 0.005 0.000 0.231 295 G HA3 -0.471 3.492 3.960 0.005 0.000 0.231 295 G C 1.108 175.969 174.900 -0.064 0.000 1.225 295 G CA 1.109 46.179 45.100 -0.050 0.000 0.845 295 G HN 0.602 nan 8.290 nan 0.000 0.527 296 E N 0.024 120.177 120.200 -0.079 0.000 2.158 296 E HA 0.043 4.396 4.350 0.005 0.000 0.191 296 E C 2.603 179.123 176.600 -0.133 0.000 0.982 296 E CA 0.661 57.016 56.400 -0.076 0.000 0.823 296 E CB -0.133 29.526 29.700 -0.069 0.000 0.766 296 E HN 0.459 nan 8.360 nan 0.000 0.468 297 I N 1.651 122.085 120.570 -0.226 0.000 2.194 297 I HA -0.304 3.869 4.170 0.005 0.000 0.246 297 I C 2.254 178.178 176.117 -0.323 0.000 1.093 297 I CA 1.283 62.321 61.300 -0.436 0.000 1.355 297 I CB -1.003 36.822 38.000 -0.291 0.000 1.046 297 I HN 0.300 nan 8.210 nan 0.000 0.413 298 L N -0.360 120.783 121.223 -0.134 0.000 2.141 298 L HA -0.160 4.183 4.340 0.005 0.000 0.209 298 L C 2.446 179.291 176.870 -0.041 0.000 1.094 298 L CA 1.087 55.889 54.840 -0.062 0.000 0.763 298 L CB -0.733 41.309 42.059 -0.029 0.000 0.908 298 L HN 0.252 nan 8.230 nan 0.000 0.437 299 E N -0.207 119.980 120.200 -0.022 0.000 2.110 299 E HA -0.203 4.151 4.350 0.005 0.000 0.193 299 E C 2.092 178.755 176.600 0.104 0.000 0.988 299 E CA 1.009 57.437 56.400 0.047 0.000 0.804 299 E CB -0.176 29.547 29.700 0.038 0.000 0.745 299 E HN 0.607 nan 8.360 nan 0.000 0.458 300 H N -0.214 118.769 119.070 -0.146 0.000 2.421 300 H HA -0.065 4.494 4.556 0.005 0.000 0.298 300 H C 2.131 177.568 175.328 0.181 0.000 1.087 300 H CA 0.912 56.897 56.048 -0.106 0.000 1.330 300 H CB 0.301 29.785 29.762 -0.463 0.000 1.388 300 H HN 0.165 nan 8.280 nan 0.000 0.526 301 I N -0.284 120.333 120.570 0.079 0.000 2.956 301 I HA -0.098 4.075 4.170 0.005 0.000 0.233 301 I C 1.160 176.993 176.117 -0.473 0.000 1.054 301 I CA 0.109 61.381 61.300 -0.048 0.000 1.456 301 I CB 0.337 38.371 38.000 0.056 0.000 1.297 301 I HN 0.109 nan 8.210 nan 0.000 0.448 302 C N 1.486 120.603 119.300 -0.306 0.000 2.394 302 C HA 0.208 4.671 4.460 0.005 0.000 0.362 302 C C 0.542 175.392 174.990 -0.235 0.000 1.268 302 C CA -0.466 58.375 59.018 -0.294 0.000 1.828 302 C CB -1.174 26.502 27.740 -0.107 0.000 2.442 302 C HN 0.407 nan 8.230 nan 0.000 0.549 303 Y N 3.797 124.192 120.300 0.159 0.000 2.801 303 Y HA 0.332 4.885 4.550 0.005 0.000 0.340 303 Y C 0.489 176.467 175.900 0.130 0.000 1.088 303 Y CA -0.344 57.866 58.100 0.184 0.000 1.444 303 Y CB -0.171 38.450 38.460 0.269 0.000 1.251 303 Y HN 0.839 nan 8.280 nan 0.000 0.522 304 D N -1.852 118.651 120.400 0.173 0.000 2.745 304 D HA 0.167 4.810 4.640 0.005 0.000 0.221 304 D C -0.445 175.912 176.300 0.095 0.000 1.237 304 D CA -0.515 53.567 54.000 0.135 0.000 0.781 304 D CB 1.186 42.061 40.800 0.126 0.000 1.575 304 D HN -0.142 nan 8.370 nan 0.000 0.482 305 V N 2.427 122.397 119.914 0.093 0.000 3.621 305 V HA 0.210 4.333 4.120 0.005 0.000 0.285 305 V C 1.428 177.579 176.094 0.094 0.000 1.346 305 V CA -0.073 62.274 62.300 0.078 0.000 1.104 305 V CB -0.409 31.449 31.823 0.059 0.000 0.913 305 V HN 0.501 nan 8.190 nan 0.000 0.432 306 N N 0.901 119.663 118.700 0.104 0.000 2.207 306 N HA -0.064 4.679 4.740 0.005 0.000 0.182 306 N C 1.077 176.697 175.510 0.183 0.000 1.020 306 N CA 0.888 54.017 53.050 0.131 0.000 0.858 306 N CB -0.209 38.346 38.487 0.112 0.000 0.991 306 N HN 0.439 nan 8.380 nan 0.000 0.427 307 D N 1.863 122.331 120.400 0.113 0.000 2.598 307 D HA -0.091 4.552 4.640 0.005 0.000 0.231 307 D C 1.498 177.810 176.300 0.020 0.000 1.127 307 D CA -0.287 53.733 54.000 0.034 0.000 1.126 307 D CB -0.410 40.382 40.800 -0.014 0.000 1.124 307 D HN 0.317 nan 8.370 nan 0.000 0.485 308 W N 2.370 123.675 121.300 0.008 0.000 2.338 308 W HA -0.223 4.440 4.660 0.005 0.000 0.304 308 W C 1.173 177.693 176.519 0.001 0.000 1.212 308 W CA 0.466 57.813 57.345 0.004 0.000 1.264 308 W CB -0.882 28.580 29.460 0.005 0.000 1.142 308 W HN 0.282 nan 8.180 nan 0.000 0.512 309 Q N 0.694 119.897 119.800 -0.996 0.000 2.096 309 Q HA -0.291 4.052 4.340 0.005 0.000 0.208 309 Q C 2.300 178.071 176.000 -0.382 0.000 0.993 309 Q CA 2.766 57.986 55.803 -0.971 0.000 0.862 309 Q CB -0.584 27.553 28.738 -1.001 0.000 0.915 309 Q HN 0.334 nan 8.270 nan 0.000 0.416 310 M N 0.842 120.280 119.600 -0.270 0.000 2.084 310 M HA -0.199 4.284 4.480 0.005 0.000 0.259 310 M C 1.955 178.208 176.300 -0.078 0.000 1.072 310 M CA 1.692 56.903 55.300 -0.148 0.000 1.107 310 M CB -0.360 32.172 32.600 -0.114 0.000 1.299 310 M HN 0.153 nan 8.290 nan 0.000 0.413 311 L N -0.477 120.729 121.223 -0.029 0.000 2.129 311 L HA -0.223 4.120 4.340 0.005 0.000 0.212 311 L C 2.377 179.273 176.870 0.043 0.000 1.087 311 L CA 1.594 56.449 54.840 0.024 0.000 0.757 311 L CB -0.976 41.123 42.059 0.068 0.000 0.896 311 L HN 0.418 nan 8.230 nan 0.000 0.434 312 E N 0.144 120.375 120.200 0.052 0.000 2.072 312 E HA -0.172 4.181 4.350 0.005 0.000 0.190 312 E C 2.301 178.918 176.600 0.028 0.000 0.982 312 E CA 0.965 57.409 56.400 0.075 0.000 0.803 312 E CB -0.047 29.728 29.700 0.126 0.000 0.755 312 E HN 0.267 nan 8.360 nan 0.000 0.453 313 M N -0.169 119.420 119.600 -0.019 0.000 2.358 313 M HA -0.124 4.359 4.480 0.005 0.000 0.264 313 M C 1.529 177.827 176.300 -0.004 0.000 1.064 313 M CA 1.073 56.357 55.300 -0.028 0.000 1.093 313 M CB -0.064 32.494 32.600 -0.070 0.000 1.401 313 M HN 0.240 nan 8.290 nan 0.000 0.440 314 L N -1.305 119.923 121.223 0.008 0.000 2.463 314 L HA -0.061 4.282 4.340 0.005 0.000 0.219 314 L C 2.300 179.193 176.870 0.038 0.000 1.088 314 L CA 0.200 55.055 54.840 0.024 0.000 0.849 314 L CB -0.281 41.793 42.059 0.026 0.000 1.012 314 L HN 0.144 nan 8.230 nan 0.000 0.468 315 K N 0.668 121.093 120.400 0.041 0.000 2.127 315 K HA -0.223 4.100 4.320 0.005 0.000 0.212 315 K C -0.570 176.057 176.600 0.046 0.000 1.050 315 K CA 2.052 58.368 56.287 0.049 0.000 0.929 315 K CB -1.047 31.485 32.500 0.053 0.000 0.715 315 K HN 0.270 nan 8.250 nan 0.000 0.457 316 P HA -0.156 nan 4.420 nan 0.000 0.218 316 P C 1.299 178.614 177.300 0.024 0.000 1.148 316 P CA 1.333 64.450 63.100 0.028 0.000 0.822 316 P CB -0.197 31.519 31.700 0.027 0.000 0.784 317 C N -0.532 118.789 119.300 0.035 0.000 2.489 317 C HA -0.061 4.402 4.460 0.005 0.000 0.279 317 C C 2.951 177.969 174.990 0.047 0.000 1.266 317 C CA 0.389 59.431 59.018 0.041 0.000 1.707 317 C CB -1.599 26.178 27.740 0.061 0.000 2.059 317 C HN 0.100 nan 8.230 nan 0.000 0.481 318 V N 1.629 121.581 119.914 0.064 0.000 2.277 318 V HA -0.314 3.809 4.120 0.005 0.000 0.253 318 V C 2.308 178.455 176.094 0.089 0.000 1.067 318 V CA 2.363 64.716 62.300 0.090 0.000 1.047 318 V CB -0.892 30.990 31.823 0.098 0.000 0.649 318 V HN 0.644 nan 8.190 nan 0.000 0.447 319 E N -0.747 119.481 120.200 0.047 0.000 2.358 319 E HA -0.165 4.188 4.350 0.005 0.000 0.195 319 E C 1.722 178.245 176.600 -0.128 0.000 1.010 319 E CA 0.748 57.134 56.400 -0.023 0.000 0.856 319 E CB -0.124 29.575 29.700 -0.002 0.000 0.795 319 E HN 0.529 nan 8.360 nan 0.000 0.504 320 D N -0.083 120.271 120.400 -0.076 0.000 2.347 320 D HA -0.018 4.625 4.640 0.005 0.000 0.213 320 D C 1.756 177.996 176.300 -0.099 0.000 0.985 320 D CA 0.589 54.530 54.000 -0.099 0.000 0.879 320 D CB 0.121 40.886 40.800 -0.058 0.000 0.919 320 D HN 0.193 nan 8.370 nan 0.000 0.526 321 G N 0.324 109.094 108.800 -0.049 0.000 2.417 321 G HA2 -0.153 3.811 3.960 0.005 0.000 0.212 321 G HA3 -0.153 3.811 3.960 0.005 0.000 0.212 321 G C 1.004 175.919 174.900 0.024 0.000 1.187 321 G CA 0.222 45.329 45.100 0.011 0.000 0.804 321 G HN 0.360 nan 8.290 nan 0.000 0.534 322 F N 1.988 121.927 119.950 -0.019 0.000 2.778 322 F HA 0.407 4.937 4.527 0.005 0.000 0.295 322 F C 0.724 176.502 175.800 -0.036 0.000 1.262 322 F CA -0.770 57.215 58.000 -0.023 0.000 1.429 322 F CB -0.294 38.696 39.000 -0.018 0.000 1.072 322 F HN -0.066 nan 8.300 nan 0.000 0.514 323 V N 0.470 120.282 119.914 -0.171 0.000 3.647 323 V HA 0.233 4.356 4.120 0.005 0.000 0.279 323 V C 0.570 176.625 176.094 -0.066 0.000 1.314 323 V CA 0.230 62.437 62.300 -0.154 0.000 1.125 323 V CB -0.756 30.927 31.823 -0.234 0.000 0.907 323 V HN 0.450 nan 8.190 nan 0.000 0.434 324 I N 0.241 120.807 120.570 -0.006 0.000 2.627 324 I HA 0.332 4.505 4.170 0.005 0.000 0.288 324 I C -0.251 175.901 176.117 0.059 0.000 1.202 324 I CA -0.008 61.305 61.300 0.021 0.000 1.050 324 I CB 2.525 40.530 38.000 0.008 0.000 1.264 324 I HN -0.037 nan 8.210 nan 0.000 0.429 325 Q N 5.034 124.867 119.800 0.055 0.000 2.084 325 Q HA 0.241 4.584 4.340 0.005 0.000 0.230 325 Q C -1.473 174.545 176.000 0.030 0.000 0.806 325 Q CA -0.223 55.611 55.803 0.053 0.000 1.083 325 Q CB 0.616 29.390 28.738 0.060 0.000 1.208 325 Q HN 0.657 nan 8.270 nan 0.000 0.462 326 D N -1.811 118.606 120.400 0.029 0.000 2.837 326 D HA 0.182 4.825 4.640 0.005 0.000 0.220 326 D C 0.175 176.489 176.300 0.022 0.000 1.236 326 D CA -0.636 53.376 54.000 0.021 0.000 0.838 326 D CB 0.918 41.729 40.800 0.019 0.000 1.647 326 D HN -0.085 nan 8.370 nan 0.000 0.486 327 R N 0.985 121.494 120.500 0.015 0.000 2.165 327 R HA -0.231 4.113 4.340 0.005 0.000 0.254 327 R C 1.316 177.628 176.300 0.020 0.000 1.153 327 R CA 2.092 58.201 56.100 0.015 0.000 0.971 327 R CB -0.221 30.086 30.300 0.010 0.000 0.878 327 R HN 0.643 nan 8.270 nan 0.000 0.449 328 E N -1.004 119.210 120.200 0.022 0.000 2.158 328 E HA -0.078 4.275 4.350 0.005 0.000 0.191 328 E C 1.847 178.468 176.600 0.036 0.000 0.982 328 E CA 1.528 57.943 56.400 0.026 0.000 0.823 328 E CB 0.071 29.784 29.700 0.022 0.000 0.766 328 E HN 0.503 nan 8.360 nan 0.000 0.468 329 T N -1.846 112.732 114.554 0.040 0.000 3.037 329 T HA 0.292 4.645 4.350 0.005 0.000 0.252 329 T C 2.067 176.814 174.700 0.078 0.000 1.073 329 T CA 0.310 62.443 62.100 0.056 0.000 1.091 329 T CB 0.185 69.079 68.868 0.043 0.000 0.935 329 T HN 0.112 nan 8.240 nan 0.000 0.488 330 A N 1.638 124.494 122.820 0.061 0.000 1.948 330 A HA 0.061 4.385 4.320 0.005 0.000 0.220 330 A C 2.165 179.783 177.584 0.058 0.000 1.177 330 A CA 1.406 53.483 52.037 0.065 0.000 0.636 330 A CB -0.845 18.179 19.000 0.040 0.000 0.815 330 A HN 0.451 nan 8.150 nan 0.000 0.449 331 L N -0.672 120.576 121.223 0.042 0.000 2.162 331 L HA -0.037 4.306 4.340 0.005 0.000 0.205 331 L C 2.095 179.000 176.870 0.058 0.000 1.086 331 L CA 1.750 56.607 54.840 0.029 0.000 0.778 331 L CB -0.458 41.613 42.059 0.019 0.000 0.928 331 L HN 0.468 nan 8.230 nan 0.000 0.446 332 D N -0.443 120.008 120.400 0.084 0.000 2.106 332 D HA -0.322 4.321 4.640 0.005 0.000 0.191 332 D C 2.081 178.478 176.300 0.161 0.000 0.997 332 D CA 1.287 55.349 54.000 0.103 0.000 0.834 332 D CB -0.164 40.689 40.800 0.089 0.000 0.956 332 D HN 0.206 nan 8.370 nan 0.000 0.448 333 F N 1.069 121.024 119.950 0.009 0.000 2.307 333 F HA 0.033 4.563 4.527 0.005 0.000 0.301 333 F C 0.681 176.490 175.800 0.016 0.000 1.076 333 F CA 0.593 58.598 58.000 0.007 0.000 1.383 333 F CB -0.340 38.657 39.000 -0.005 0.000 1.055 333 F HN -0.009 nan 8.300 nan 0.000 0.526 334 I N 1.565 122.101 120.570 -0.057 0.000 2.213 334 I HA 0.394 4.567 4.170 0.005 0.000 0.295 334 I C 0.624 176.734 176.117 -0.011 0.000 1.172 334 I CA 0.275 61.489 61.300 -0.143 0.000 1.443 334 I CB -0.955 36.980 38.000 -0.109 0.000 1.491 334 I HN 0.235 nan 8.210 nan 0.000 0.652 346 E N 2.370 122.583 120.200 0.022 0.000 2.515 346 E HA -0.118 4.235 4.350 0.005 0.000 0.201 346 E C 1.055 177.672 176.600 0.029 0.000 1.071 346 E CA 1.311 57.727 56.400 0.027 0.000 0.880 346 E CB -0.146 29.568 29.700 0.023 0.000 0.828 346 E HN 0.372 nan 8.360 nan 0.000 0.540 347 K N 1.355 121.769 120.400 0.023 0.000 2.155 347 K HA -0.101 4.222 4.320 0.005 0.000 0.203 347 K C 1.959 178.582 176.600 0.038 0.000 1.052 347 K CA 1.400 57.699 56.287 0.021 0.000 0.948 347 K CB -0.301 32.200 32.500 0.000 0.000 0.728 347 K HN 0.330 nan 8.250 nan 0.000 0.448 348 R N 0.245 120.771 120.500 0.043 0.000 2.280 348 R HA 0.225 4.569 4.340 0.005 0.000 0.195 348 R C 1.456 177.827 176.300 0.118 0.000 0.935 348 R CA 0.281 56.431 56.100 0.084 0.000 1.033 348 R CB -0.385 29.948 30.300 0.053 0.000 0.964 348 R HN 0.046 nan 8.270 nan 0.000 0.489 349 I N 1.823 122.440 120.570 0.079 0.000 2.252 349 I HA -0.216 3.958 4.170 0.005 0.000 0.245 349 I C 2.512 178.672 176.117 0.071 0.000 1.102 349 I CA 1.315 62.655 61.300 0.066 0.000 1.385 349 I CB -0.254 37.774 38.000 0.046 0.000 1.064 349 I HN 0.127 nan 8.210 nan 0.000 0.414 350 Q N -0.387 119.461 119.800 0.080 0.000 2.002 350 Q HA -0.278 4.065 4.340 0.005 0.000 0.204 350 Q C 2.332 178.401 176.000 0.115 0.000 0.988 350 Q CA 1.956 57.809 55.803 0.083 0.000 0.843 350 Q CB -0.936 27.849 28.738 0.080 0.000 0.908 350 Q HN 0.540 nan 8.270 nan 0.000 0.420 351 Y N 0.628 120.933 120.300 0.010 0.000 2.348 351 Y HA -0.267 4.286 4.550 0.005 0.000 0.285 351 Y C 1.917 177.828 175.900 0.020 0.000 1.173 351 Y CA 1.606 59.712 58.100 0.010 0.000 1.263 351 Y CB -0.152 38.304 38.460 -0.006 0.000 0.974 351 Y HN 0.152 nan 8.280 nan 0.000 0.547 352 A N -1.143 121.692 122.820 0.024 0.000 2.140 352 A HA 0.070 4.393 4.320 0.005 0.000 0.209 352 A C 2.149 179.707 177.584 -0.043 0.000 1.181 352 A CA 0.493 52.498 52.037 -0.053 0.000 0.824 352 A CB -0.313 18.683 19.000 -0.007 0.000 0.879 352 A HN 0.361 nan 8.150 nan 0.000 0.480 353 K N 0.809 121.207 120.400 -0.003 0.000 2.057 353 K HA -0.194 4.129 4.320 0.005 0.000 0.206 353 K C 1.274 177.877 176.600 0.005 0.000 1.050 353 K CA 1.896 58.185 56.287 0.004 0.000 0.935 353 K CB -0.139 32.374 32.500 0.022 0.000 0.715 353 K HN 0.614 nan 8.250 nan 0.000 0.439 354 D N -0.411 119.993 120.400 0.007 0.000 2.348 354 D HA -0.071 4.572 4.640 0.005 0.000 0.211 354 D C 1.658 177.964 176.300 0.010 0.000 0.998 354 D CA 0.301 54.310 54.000 0.016 0.000 0.873 354 D CB -0.033 40.783 40.800 0.027 0.000 0.925 354 D HN 0.212 nan 8.370 nan 0.000 0.524 355 I N 0.062 120.616 120.570 -0.027 0.000 2.830 355 I HA -0.046 4.127 4.170 0.005 0.000 0.263 355 I C 1.248 177.387 176.117 0.037 0.000 1.230 355 I CA 0.645 61.932 61.300 -0.021 0.000 1.480 355 I CB 0.206 38.138 38.000 -0.112 0.000 1.095 355 I HN 0.107 nan 8.210 nan 0.000 0.455 356 L N -0.220 121.015 121.223 0.020 0.000 2.685 356 L HA 0.108 4.451 4.340 0.005 0.000 0.233 356 L C 1.470 178.430 176.870 0.150 0.000 1.173 356 L CA 0.128 55.016 54.840 0.080 0.000 0.961 356 L CB -0.033 41.988 42.059 -0.063 0.000 1.217 356 L HN 0.263 nan 8.230 nan 0.000 0.478 357 Q N -0.943 118.915 119.800 0.097 0.000 2.546 357 Q HA 0.117 4.460 4.340 0.005 0.000 0.203 357 Q C 1.471 177.491 176.000 0.033 0.000 0.740 357 Q CA -0.108 55.735 55.803 0.068 0.000 0.879 357 Q CB 0.463 29.228 28.738 0.045 0.000 1.265 357 Q HN 0.159 nan 8.270 nan 0.000 0.585 358 K N 0.262 120.674 120.400 0.019 0.000 2.459 358 K HA -0.004 4.319 4.320 0.005 0.000 0.193 358 K C 0.782 177.368 176.600 -0.023 0.000 1.030 358 K CA 0.765 57.039 56.287 -0.022 0.000 1.026 358 K CB 0.529 33.016 32.500 -0.022 0.000 0.809 358 K HN 0.129 nan 8.250 nan 0.000 0.504 359 E N -0.811 119.403 120.200 0.024 0.000 2.717 359 E HA 0.031 4.384 4.350 0.005 0.000 0.204 359 E C -0.126 176.514 176.600 0.066 0.000 0.911 359 E CA -0.125 56.283 56.400 0.015 0.000 1.370 359 E CB -0.061 29.631 29.700 -0.013 0.000 1.315 359 E HN 0.053 nan 8.360 nan 0.000 0.643 360 F N 3.342 123.275 119.950 -0.029 0.000 2.466 360 F HA 0.260 4.790 4.527 0.005 0.000 0.363 360 F C 0.130 175.930 175.800 -0.000 0.000 1.109 360 F CA -0.655 57.340 58.000 -0.009 0.000 1.161 360 F CB 0.130 39.124 39.000 -0.010 0.000 1.117 360 F HN -0.065 nan 8.300 nan 0.000 0.539 361 L N 7.451 128.366 121.223 -0.513 0.000 3.823 361 L HA -0.226 4.117 4.340 0.005 0.000 0.525 361 L C -1.902 174.855 176.870 -0.189 0.000 1.247 361 L CA 0.121 54.729 54.840 -0.386 0.000 0.776 361 L CB -1.254 40.400 42.059 -0.675 0.000 1.443 361 L HN 0.552 nan 8.230 nan 0.000 0.831 362 P HA -0.125 nan 4.420 nan 0.000 0.225 362 P C 0.537 177.814 177.300 -0.039 0.000 1.148 362 P CA 1.363 64.432 63.100 -0.050 0.000 0.779 362 P CB -0.071 31.613 31.700 -0.027 0.000 0.780 363 H N -0.924 118.047 119.070 -0.165 0.000 2.505 363 H HA 0.210 4.769 4.556 0.005 0.000 0.358 363 H C 1.298 176.480 175.328 -0.243 0.000 1.304 363 H CA -0.284 55.658 56.048 -0.177 0.000 1.393 363 H CB 0.576 30.244 29.762 -0.157 0.000 1.591 363 H HN -0.209 nan 8.280 nan 0.000 0.595 364 I N -1.702 118.531 120.570 -0.560 0.000 4.743 364 I HA -0.323 3.850 4.170 0.005 0.000 0.042 364 I C 0.520 176.405 176.117 -0.387 0.000 0.630 364 I CA 1.846 62.818 61.300 -0.547 0.000 0.687 364 I CB -1.842 35.786 38.000 -0.621 0.000 0.647 364 I HN 0.900 nan 8.210 nan 0.000 0.154 365 T N 0.345 114.704 114.554 -0.324 0.000 3.033 365 T HA 0.263 4.616 4.350 0.005 0.000 0.362 365 T C -0.693 173.903 174.700 -0.174 0.000 1.723 365 T CA -0.157 61.771 62.100 -0.288 0.000 1.110 365 T CB 1.609 70.182 68.868 -0.491 0.000 1.515 365 T HN 0.387 nan 8.240 nan 0.000 0.484 366 Q N 3.390 123.112 119.800 -0.131 0.000 2.201 366 Q HA 0.409 4.752 4.340 0.005 0.000 0.236 366 Q C 0.551 176.522 176.000 -0.048 0.000 0.857 366 Q CA -0.189 55.565 55.803 -0.082 0.000 1.025 366 Q CB 0.177 28.860 28.738 -0.092 0.000 1.124 366 Q HN 0.636 nan 8.270 nan 0.000 0.473 367 L N -0.922 120.278 121.223 -0.038 0.000 2.497 367 L HA 0.248 4.591 4.340 0.005 0.000 0.192 367 L C 1.617 178.521 176.870 0.057 0.000 1.323 367 L CA 0.256 55.102 54.840 0.010 0.000 2.901 367 L CB -0.006 42.064 42.059 0.019 0.000 2.761 367 L HN 0.205 nan 8.230 nan 0.000 1.096 368 E N -0.855 119.414 120.200 0.115 0.000 3.567 368 E HA 0.083 4.436 4.350 0.005 0.000 0.207 368 E C 0.741 177.435 176.600 0.157 0.000 1.278 368 E CA 0.362 56.830 56.400 0.112 0.000 1.316 368 E CB 0.625 30.377 29.700 0.087 0.000 2.414 368 E HN 0.386 nan 8.360 nan 0.000 0.544 369 G N 1.036 109.944 108.800 0.180 0.000 3.939 369 G HA2 0.373 4.336 3.960 0.005 0.000 0.268 369 G HA3 0.373 4.336 3.960 0.005 0.000 0.268 369 G C -0.964 173.958 174.900 0.038 0.000 1.172 369 G CA -0.188 44.968 45.100 0.094 0.000 1.614 369 G HN 0.066 nan 8.290 nan 0.000 0.639 370 F N -0.013 119.951 119.950 0.024 0.000 2.523 370 F HA 0.358 4.888 4.527 0.005 0.000 0.322 370 F C 1.008 176.839 175.800 0.052 0.000 1.361 370 F CA -0.730 57.285 58.000 0.026 0.000 1.151 370 F CB 1.705 40.705 39.000 0.001 0.000 1.391 370 F HN 0.170 nan 8.300 nan 0.000 0.566 371 E N -0.149 120.145 120.200 0.157 0.000 2.371 371 E HA -0.051 4.302 4.350 0.005 0.000 0.194 371 E C 1.974 178.681 176.600 0.180 0.000 1.012 371 E CA 0.885 57.376 56.400 0.151 0.000 0.860 371 E CB 0.276 30.032 29.700 0.092 0.000 0.811 371 E HN 0.355 nan 8.360 nan 0.000 0.502 372 S N -0.944 114.870 115.700 0.190 0.000 2.524 372 S HA 0.200 4.673 4.470 0.005 0.000 0.215 372 S C 1.654 176.459 174.600 0.341 0.000 0.986 372 S CA -0.486 57.877 58.200 0.272 0.000 0.911 372 S CB 0.306 63.661 63.200 0.257 0.000 0.805 372 S HN 0.005 nan 8.310 nan 0.000 0.501 373 R N 2.365 123.022 120.500 0.263 0.000 2.061 373 R HA 0.093 4.437 4.340 0.005 0.000 0.230 373 R C 2.000 178.452 176.300 0.253 0.000 1.140 373 R CA 1.380 57.602 56.100 0.203 0.000 0.940 373 R CB -0.520 29.879 30.300 0.164 0.000 0.839 373 R HN 0.473 nan 8.270 nan 0.000 0.429 374 K N 0.438 120.981 120.400 0.239 0.000 2.103 374 K HA -0.105 4.218 4.320 0.005 0.000 0.207 374 K C 2.131 179.004 176.600 0.455 0.000 1.048 374 K CA 1.536 57.994 56.287 0.286 0.000 0.930 374 K CB -0.159 32.546 32.500 0.341 0.000 0.716 374 K HN 0.150 nan 8.250 nan 0.000 0.444 375 A N 0.737 123.826 122.820 0.448 0.000 1.897 375 A HA -0.075 4.248 4.320 0.005 0.000 0.215 375 A C 1.937 179.973 177.584 0.752 0.000 1.181 375 A CA 0.953 53.311 52.037 0.535 0.000 0.620 375 A CB -0.649 18.523 19.000 0.286 0.000 0.821 375 A HN 0.208 nan 8.150 nan 0.000 0.443 376 F N -1.933 118.401 119.950 0.639 0.000 2.269 376 F HA -0.093 4.437 4.527 0.005 0.000 0.301 376 F C 1.958 178.163 175.800 0.675 0.000 1.082 376 F CA 1.266 59.565 58.000 0.499 0.000 1.360 376 F CB -0.153 38.792 39.000 -0.092 0.000 1.041 376 F HN 0.339 nan 8.300 nan 0.000 0.512 377 F N -0.114 120.221 119.950 0.642 0.000 2.074 377 F HA -0.137 4.393 4.527 0.005 0.000 0.290 377 F C 2.245 178.353 175.800 0.513 0.000 1.118 377 F CA 1.048 59.406 58.000 0.596 0.000 1.199 377 F CB -0.704 38.495 39.000 0.333 0.000 1.012 377 F HN -0.146 nan 8.300 nan 0.000 0.472 378 L N 0.585 122.170 121.223 0.602 0.000 2.197 378 L HA -0.134 4.209 4.340 0.005 0.000 0.215 378 L C 2.110 179.140 176.870 0.267 0.000 1.095 378 L CA 2.225 57.273 54.840 0.345 0.000 0.764 378 L CB -1.340 40.850 42.059 0.219 0.000 0.897 378 L HN 0.224 nan 8.230 nan 0.000 0.436 379 G N -1.861 107.271 108.800 0.553 0.000 2.394 379 G HA2 -0.320 3.643 3.960 0.005 0.000 0.215 379 G HA3 -0.320 3.643 3.960 0.005 0.000 0.215 379 G C 1.478 176.675 174.900 0.495 0.000 1.165 379 G CA 0.732 46.242 45.100 0.685 0.000 0.784 379 G HN 0.537 nan 8.290 nan 0.000 0.535 380 Y N 0.784 121.332 120.300 0.414 0.000 2.200 380 Y HA 0.038 4.591 4.550 0.005 0.000 0.290 380 Y C 2.910 178.813 175.900 0.006 0.000 1.137 380 Y CA 1.507 59.745 58.100 0.231 0.000 1.163 380 Y CB -0.119 38.358 38.460 0.028 0.000 0.988 380 Y HN 0.099 nan 8.280 nan 0.000 0.518 381 M N -0.729 118.886 119.600 0.025 0.000 2.106 381 M HA -0.280 4.203 4.480 0.005 0.000 0.259 381 M C 1.632 177.904 176.300 -0.048 0.000 1.068 381 M CA 1.437 56.727 55.300 -0.017 0.000 1.100 381 M CB -0.311 32.347 32.600 0.098 0.000 1.351 381 M HN 0.285 nan 8.290 nan 0.000 0.404 382 I N -0.174 120.400 120.570 0.008 0.000 2.761 382 I HA -0.192 3.981 4.170 0.005 0.000 0.261 382 I C 1.998 178.070 176.117 -0.074 0.000 1.198 382 I CA 1.126 62.424 61.300 -0.003 0.000 1.482 382 I CB -1.653 36.389 38.000 0.071 0.000 1.100 382 I HN 0.350 nan 8.210 nan 0.000 0.445 383 N N 1.216 119.830 118.700 -0.143 0.000 2.135 383 N HA -0.159 4.584 4.740 0.005 0.000 0.186 383 N C 1.910 177.278 175.510 -0.238 0.000 1.027 383 N CA 1.167 54.090 53.050 -0.212 0.000 0.849 383 N CB 0.063 38.395 38.487 -0.258 0.000 1.002 383 N HN -0.027 nan 8.380 nan 0.000 0.425 384 R N 0.572 120.871 120.500 -0.336 0.000 2.083 384 R HA -0.086 4.257 4.340 0.005 0.000 0.237 384 R C 2.048 178.252 176.300 -0.160 0.000 1.137 384 R CA 0.584 56.520 56.100 -0.273 0.000 0.951 384 R CB -1.453 28.669 30.300 -0.298 0.000 0.851 384 R HN 0.316 nan 8.270 nan 0.000 0.434 385 L N 0.791 121.939 121.223 -0.126 0.000 1.933 385 L HA -0.190 4.154 4.340 0.005 0.000 0.220 385 L C 2.270 179.059 176.870 -0.135 0.000 1.078 385 L CA 1.782 56.570 54.840 -0.087 0.000 0.773 385 L CB -0.818 41.211 42.059 -0.050 0.000 0.890 385 L HN 0.119 nan 8.230 nan 0.000 0.434 386 L N -1.117 120.022 121.223 -0.140 0.000 2.129 386 L HA -0.219 4.124 4.340 0.005 0.000 0.212 386 L C 2.096 178.871 176.870 -0.158 0.000 1.087 386 L CA 0.557 55.299 54.840 -0.164 0.000 0.757 386 L CB -0.772 41.212 42.059 -0.126 0.000 0.896 386 L HN 0.308 nan 8.230 nan 0.000 0.434 387 L N -0.953 120.189 121.223 -0.135 0.000 2.786 387 L HA -0.126 4.217 4.340 0.005 0.000 0.250 387 L C 1.368 178.184 176.870 -0.090 0.000 1.151 387 L CA 1.017 55.790 54.840 -0.112 0.000 0.910 387 L CB -0.415 41.578 42.059 -0.110 0.000 1.082 387 L HN 0.424 nan 8.230 nan 0.000 0.433 388 C N -3.309 115.931 119.300 -0.101 0.000 3.984 388 C HA 0.416 4.879 4.460 0.005 0.000 0.569 388 C C 2.505 177.460 174.990 -0.058 0.000 1.383 388 C CA 0.329 59.324 59.018 -0.039 0.000 2.516 388 C CB -0.505 27.252 27.740 0.028 0.000 3.723 388 C HN 0.458 nan 8.230 nan 0.000 0.541 389 A N 0.784 123.406 122.820 -0.330 0.000 2.172 389 A HA 0.197 4.520 4.320 0.005 0.000 0.216 389 A C 1.679 179.144 177.584 -0.199 0.000 1.154 389 A CA 1.216 52.922 52.037 -0.552 0.000 0.701 389 A CB -0.512 17.985 19.000 -0.838 0.000 0.789 389 A HN 0.665 nan 8.150 nan 0.000 0.465 390 L N -1.225 119.908 121.223 -0.150 0.000 2.607 390 L HA 0.121 4.464 4.340 0.005 0.000 0.228 390 L C -0.324 176.505 176.870 -0.067 0.000 1.123 390 L CA 0.001 54.774 54.840 -0.112 0.000 0.890 390 L CB -0.268 41.707 42.059 -0.140 0.000 1.103 390 L HN 0.296 nan 8.230 nan 0.000 0.468 391 D N 0.085 120.464 120.400 -0.035 0.000 2.689 391 D HA -0.218 4.425 4.640 0.005 0.000 0.237 391 D C 1.297 177.586 176.300 -0.019 0.000 1.148 391 D CA 0.468 54.466 54.000 -0.004 0.000 0.656 391 D CB -0.338 40.467 40.800 0.009 0.000 1.050 391 D HN 0.227 nan 8.370 nan 0.000 0.426 392 R N -0.718 119.763 120.500 -0.032 0.000 2.225 392 R HA 0.175 4.518 4.340 0.005 0.000 0.194 392 R C 0.700 176.989 176.300 -0.019 0.000 0.957 392 R CA 0.419 56.500 56.100 -0.031 0.000 1.042 392 R CB 0.414 30.686 30.300 -0.048 0.000 1.004 392 R HN -0.055 nan 8.270 nan 0.000 0.509 393 K N -0.361 120.029 120.400 -0.017 0.000 2.409 393 K HA 0.246 4.569 4.320 0.005 0.000 0.252 393 K C -1.182 175.423 176.600 0.007 0.000 1.036 393 K CA -0.668 55.614 56.287 -0.008 0.000 0.871 393 K CB 1.458 33.945 32.500 -0.021 0.000 1.374 393 K HN -0.222 nan 8.250 nan 0.000 0.459 394 D N 0.634 121.040 120.400 0.011 0.000 2.432 394 D HA 0.138 4.782 4.640 0.005 0.000 0.258 394 D C -0.251 176.066 176.300 0.029 0.000 1.146 394 D CA -0.256 53.759 54.000 0.025 0.000 1.015 394 D CB 1.065 41.881 40.800 0.028 0.000 1.107 394 D HN 0.358 nan 8.370 nan 0.000 0.529 395 Q N -0.127 119.700 119.800 0.046 0.000 2.631 395 Q HA 0.050 4.393 4.340 0.005 0.000 0.210 395 Q C -0.782 175.250 176.000 0.053 0.000 1.094 395 Q CA -0.055 55.785 55.803 0.060 0.000 1.055 395 Q CB 0.556 29.349 28.738 0.091 0.000 1.261 395 Q HN 0.283 nan 8.270 nan 0.000 0.615 396 D N 1.472 121.914 120.400 0.071 0.000 2.329 396 D HA 0.094 4.737 4.640 0.005 0.000 0.232 396 D C -1.200 175.212 176.300 0.187 0.000 1.088 396 D CA -0.205 53.827 54.000 0.054 0.000 0.835 396 D CB 0.964 41.675 40.800 -0.148 0.000 1.078 396 D HN 0.391 nan 8.370 nan 0.000 0.495 397 D N 1.866 122.339 120.400 0.123 0.000 2.349 397 D HA 0.004 4.647 4.640 0.005 0.000 0.266 397 D C 0.995 177.356 176.300 0.102 0.000 1.293 397 D CA 0.054 54.119 54.000 0.107 0.000 0.926 397 D CB 0.482 41.354 40.800 0.120 0.000 1.090 397 D HN 0.287 nan 8.370 nan 0.000 0.502 398 R N 1.730 122.288 120.500 0.097 0.000 2.319 398 R HA 0.072 4.415 4.340 0.005 0.000 0.204 398 R C -0.130 176.169 176.300 -0.002 0.000 0.954 398 R CA 0.232 56.384 56.100 0.086 0.000 1.066 398 R CB 0.478 30.801 30.300 0.038 0.000 0.991 398 R HN 0.157 nan 8.270 nan 0.000 0.486 399 D N 0.010 120.345 120.400 -0.107 0.000 2.670 399 D HA 0.018 4.661 4.640 0.005 0.000 0.255 399 D C -0.551 175.482 176.300 -0.446 0.000 1.286 399 D CA 0.001 53.850 54.000 -0.250 0.000 0.830 399 D CB 0.169 40.754 40.800 -0.358 0.000 1.065 399 D HN 0.162 nan 8.370 nan 0.000 0.486 400 H N 0.573 119.506 119.070 -0.229 0.000 2.556 400 H HA 0.073 4.632 4.556 0.005 0.000 0.310 400 H C 0.355 175.740 175.328 0.095 0.000 1.057 400 H CA -0.565 55.435 56.048 -0.079 0.000 1.264 400 H CB 0.460 30.214 29.762 -0.015 0.000 1.404 400 H HN -0.085 nan 8.280 nan 0.000 0.462 401 F N 3.348 123.353 119.950 0.092 0.000 2.333 401 F HA -0.018 4.512 4.527 0.005 0.000 0.300 401 F C 2.230 178.148 175.800 0.197 0.000 1.083 401 F CA 1.475 59.572 58.000 0.161 0.000 1.395 401 F CB -0.055 39.064 39.000 0.198 0.000 1.056 401 F HN 0.717 nan 8.300 nan 0.000 0.529 402 G N -0.659 108.422 108.800 0.469 0.000 3.124 402 G HA2 -0.054 3.909 3.960 0.005 0.000 0.212 402 G HA3 -0.054 3.909 3.960 0.005 0.000 0.212 402 G C 1.029 175.874 174.900 -0.092 0.000 1.181 402 G CA -0.049 45.150 45.100 0.165 0.000 0.803 402 G HN 0.276 nan 8.290 nan 0.000 0.529 403 K N 0.092 120.461 120.400 -0.051 0.000 2.826 403 K HA 0.194 4.517 4.320 0.005 0.000 0.206 403 K C -0.283 176.257 176.600 -0.099 0.000 1.116 403 K CA -0.158 56.052 56.287 -0.128 0.000 1.045 403 K CB 0.608 33.041 32.500 -0.111 0.000 0.758 403 K HN 0.413 nan 8.250 nan 0.000 0.465 404 K N -0.230 120.075 120.400 -0.159 0.000 2.555 404 K HA 0.506 4.829 4.320 0.005 0.000 0.279 404 K C -0.897 175.558 176.600 -0.242 0.000 0.986 404 K CA -1.290 54.897 56.287 -0.167 0.000 0.880 404 K CB 1.677 34.088 32.500 -0.148 0.000 1.474 404 K HN -0.216 nan 8.250 nan 0.000 0.433 405 R N 0.755 121.148 120.500 -0.179 0.000 2.867 405 R HA 0.539 4.882 4.340 0.005 0.000 0.268 405 R C -0.969 175.255 176.300 -0.127 0.000 1.014 405 R CA -0.960 55.048 56.100 -0.154 0.000 0.946 405 R CB 1.363 31.618 30.300 -0.074 0.000 1.208 405 R HN 0.605 nan 8.270 nan 0.000 0.477 406 L N 1.394 122.559 121.223 -0.095 0.000 2.305 406 L HA 0.339 4.682 4.340 0.005 0.000 0.284 406 L C -0.406 176.451 176.870 -0.022 0.000 1.013 406 L CA -0.875 53.932 54.840 -0.054 0.000 0.819 406 L CB 1.653 43.685 42.059 -0.044 0.000 1.227 406 L HN 0.297 nan 8.230 nan 0.000 0.417 407 D N 3.965 124.354 120.400 -0.017 0.000 2.470 407 D HA 0.186 4.829 4.640 0.005 0.000 0.226 407 D C 0.364 176.654 176.300 -0.016 0.000 1.196 407 D CA 0.035 54.034 54.000 -0.001 0.000 0.979 407 D CB 0.609 41.412 40.800 0.005 0.000 1.059 407 D HN 0.184 nan 8.370 nan 0.000 0.515 408 L N 1.058 122.284 121.223 0.005 0.000 2.464 408 L HA 0.140 4.484 4.340 0.005 0.000 0.224 408 L C 1.987 178.871 176.870 0.024 0.000 1.219 408 L CA 0.009 54.853 54.840 0.006 0.000 0.831 408 L CB -0.045 42.032 42.059 0.029 0.000 1.284 408 L HN 0.276 nan 8.230 nan 0.000 0.522 409 A N 0.801 123.653 122.820 0.055 0.000 1.948 409 A HA -0.145 4.178 4.320 0.005 0.000 0.220 409 A C 1.937 179.611 177.584 0.150 0.000 1.177 409 A CA 1.858 53.971 52.037 0.128 0.000 0.636 409 A CB -1.112 18.010 19.000 0.203 0.000 0.815 409 A HN 0.915 nan 8.150 nan 0.000 0.449 410 G N 0.028 108.911 108.800 0.139 0.000 2.808 410 G HA2 -0.144 3.819 3.960 0.005 0.000 0.211 410 G HA3 -0.144 3.819 3.960 0.005 0.000 0.211 410 G C -0.557 174.326 174.900 -0.028 0.000 1.364 410 G CA 1.155 46.288 45.100 0.055 0.000 0.824 410 G HN 0.434 nan 8.290 nan 0.000 0.630 411 P HA -0.038 nan 4.420 nan 0.000 0.229 411 P C 1.716 179.093 177.300 0.128 0.000 1.147 411 P CA 0.405 63.576 63.100 0.118 0.000 0.766 411 P CB 0.005 31.769 31.700 0.107 0.000 0.775 412 L N -1.367 119.926 121.223 0.118 0.000 2.013 412 L HA -0.076 4.267 4.340 0.005 0.000 0.204 412 L C 2.284 179.391 176.870 0.395 0.000 1.081 412 L CA 1.581 56.582 54.840 0.268 0.000 0.751 412 L CB -1.358 40.742 42.059 0.068 0.000 0.901 412 L HN 0.015 nan 8.230 nan 0.000 0.440 413 L N 0.033 121.373 121.223 0.194 0.000 2.089 413 L HA -0.273 4.070 4.340 0.005 0.000 0.213 413 L C 2.787 179.639 176.870 -0.029 0.000 1.079 413 L CA 1.316 56.136 54.840 -0.032 0.000 0.758 413 L CB -0.701 41.013 42.059 -0.574 0.000 0.891 413 L HN 0.330 nan 8.230 nan 0.000 0.433 414 A N 0.042 122.864 122.820 0.002 0.000 1.873 414 A HA -0.314 4.010 4.320 0.005 0.000 0.218 414 A C 2.292 180.028 177.584 0.253 0.000 1.193 414 A CA 2.159 54.372 52.037 0.294 0.000 0.629 414 A CB -0.698 18.477 19.000 0.292 0.000 0.826 414 A HN 0.624 nan 8.150 nan 0.000 0.447 415 Q N -0.909 119.003 119.800 0.187 0.000 2.230 415 Q HA -0.022 4.321 4.340 0.005 0.000 0.202 415 Q C 1.942 177.975 176.000 0.054 0.000 0.963 415 Q CA 1.275 57.159 55.803 0.134 0.000 0.866 415 Q CB -0.258 28.562 28.738 0.137 0.000 0.931 415 Q HN 0.542 nan 8.270 nan 0.000 0.452 416 L N 0.042 121.265 121.223 -0.001 0.000 2.005 416 L HA -0.072 4.271 4.340 0.005 0.000 0.207 416 L C 2.255 179.112 176.870 -0.022 0.000 1.072 416 L CA 1.367 56.106 54.840 -0.168 0.000 0.744 416 L CB -0.434 41.379 42.059 -0.409 0.000 0.895 416 L HN 0.256 nan 8.230 nan 0.000 0.433 417 F N 0.436 120.370 119.950 -0.026 0.000 2.095 417 F HA -0.290 4.240 4.527 0.005 0.000 0.298 417 F C 2.434 178.275 175.800 0.067 0.000 1.104 417 F CA 1.694 59.717 58.000 0.038 0.000 1.232 417 F CB -0.256 38.835 39.000 0.152 0.000 0.987 417 F HN -0.040 nan 8.300 nan 0.000 0.475 418 K N -0.425 120.102 120.400 0.212 0.000 2.013 418 K HA -0.275 4.048 4.320 0.005 0.000 0.225 418 K C 1.923 178.542 176.600 0.032 0.000 1.056 418 K CA 2.831 59.204 56.287 0.142 0.000 0.971 418 K CB -1.128 31.455 32.500 0.139 0.000 0.731 418 K HN 0.286 nan 8.250 nan 0.000 0.450 419 T N 2.132 116.673 114.554 -0.021 0.000 2.684 419 T HA -0.156 4.197 4.350 0.005 0.000 0.267 419 T C 2.062 176.686 174.700 -0.126 0.000 1.036 419 T CA 1.307 63.362 62.100 -0.075 0.000 1.148 419 T CB -0.258 68.552 68.868 -0.098 0.000 0.863 419 T HN 0.123 nan 8.240 nan 0.000 0.436 420 L N -0.295 120.826 121.223 -0.169 0.000 2.027 420 L HA -0.015 4.328 4.340 0.005 0.000 0.206 420 L C 2.261 178.998 176.870 -0.222 0.000 1.074 420 L CA 1.240 55.955 54.840 -0.208 0.000 0.745 420 L CB -0.473 41.442 42.059 -0.241 0.000 0.898 420 L HN 0.165 nan 8.230 nan 0.000 0.433 421 F N 1.177 120.839 119.950 -0.480 0.000 2.065 421 F HA -0.262 4.268 4.527 0.005 0.000 0.298 421 F C 2.144 177.770 175.800 -0.290 0.000 1.112 421 F CA 1.643 59.348 58.000 -0.492 0.000 1.212 421 F CB -0.337 38.303 39.000 -0.600 0.000 0.975 421 F HN -0.102 nan 8.300 nan 0.000 0.476 422 K N 0.343 120.551 120.400 -0.319 0.000 2.665 422 K HA -0.115 4.208 4.320 0.005 0.000 0.196 422 K C 1.656 178.110 176.600 -0.244 0.000 1.021 422 K CA 0.296 56.389 56.287 -0.322 0.000 1.066 422 K CB -0.101 32.312 32.500 -0.144 0.000 0.849 422 K HN 0.370 nan 8.250 nan 0.000 0.500 423 K N 0.857 121.110 120.400 -0.244 0.000 2.329 423 K HA 0.046 4.369 4.320 0.005 0.000 0.198 423 K C 1.942 178.435 176.600 -0.179 0.000 1.085 423 K CA 0.124 56.302 56.287 -0.181 0.000 0.961 423 K CB 0.328 32.737 32.500 -0.152 0.000 0.971 423 K HN 0.158 nan 8.250 nan 0.000 0.502 424 L N -0.275 120.809 121.223 -0.232 0.000 2.341 424 L HA 0.098 4.441 4.340 0.005 0.000 0.214 424 L C 2.006 178.742 176.870 -0.223 0.000 1.115 424 L CA 1.173 55.895 54.840 -0.197 0.000 0.820 424 L CB -0.443 41.504 42.059 -0.188 0.000 0.944 424 L HN -0.076 nan 8.230 nan 0.000 0.452 425 T N 0.835 115.146 114.554 -0.404 0.000 2.788 425 T HA -0.197 4.156 4.350 0.005 0.000 0.268 425 T C 1.690 176.342 174.700 -0.080 0.000 1.044 425 T CA 2.068 63.960 62.100 -0.347 0.000 1.139 425 T CB -0.117 68.380 68.868 -0.618 0.000 0.867 425 T HN 0.694 nan 8.240 nan 0.000 0.454 426 K N -0.698 119.646 120.400 -0.093 0.000 2.358 426 K HA 0.157 4.481 4.320 0.005 0.000 0.197 426 K C 1.320 177.944 176.600 0.040 0.000 1.025 426 K CA 0.304 56.583 56.287 -0.013 0.000 1.104 426 K CB 0.325 32.760 32.500 -0.109 0.000 0.855 426 K HN 0.045 nan 8.250 nan 0.000 0.531 427 D N 1.169 121.578 120.400 0.015 0.000 2.249 427 D HA 0.005 4.648 4.640 0.005 0.000 0.205 427 D C 1.679 178.048 176.300 0.116 0.000 0.962 427 D CA 0.455 54.486 54.000 0.051 0.000 0.860 427 D CB 0.279 41.084 40.800 0.008 0.000 0.955 427 D HN 0.166 nan 8.370 nan 0.000 0.505 428 I N 0.349 120.982 120.570 0.105 0.000 2.252 428 I HA -0.203 3.970 4.170 0.005 0.000 0.245 428 I C 2.264 178.484 176.117 0.172 0.000 1.102 428 I CA 0.664 62.037 61.300 0.122 0.000 1.385 428 I CB -1.294 36.764 38.000 0.096 0.000 1.064 428 I HN -0.026 nan 8.210 nan 0.000 0.414 429 F N 1.971 121.945 119.950 0.039 0.000 2.087 429 F HA -0.279 4.251 4.527 0.005 0.000 0.299 429 F C 2.699 178.524 175.800 0.042 0.000 1.100 429 F CA 1.887 59.906 58.000 0.030 0.000 1.226 429 F CB -0.087 38.917 39.000 0.007 0.000 0.983 429 F HN 0.026 nan 8.300 nan 0.000 0.479 430 R N -2.002 118.669 120.500 0.284 0.000 2.276 430 R HA -0.100 4.243 4.340 0.005 0.000 0.196 430 R C 1.820 178.199 176.300 0.131 0.000 0.961 430 R CA 0.615 56.823 56.100 0.180 0.000 1.024 430 R CB -0.516 29.864 30.300 0.134 0.000 0.940 430 R HN 0.389 nan 8.270 nan 0.000 0.480 431 Y N 1.077 121.398 120.300 0.036 0.000 2.373 431 Y HA -0.089 4.464 4.550 0.005 0.000 0.293 431 Y C 2.008 177.903 175.900 -0.007 0.000 1.129 431 Y CA 1.423 59.530 58.100 0.012 0.000 1.226 431 Y CB 0.126 38.593 38.460 0.011 0.000 1.000 431 Y HN -0.094 nan 8.280 nan 0.000 0.549 432 M N -0.701 118.959 119.600 0.099 0.000 2.248 432 M HA -0.164 4.319 4.480 0.005 0.000 0.265 432 M C 2.032 178.296 176.300 -0.060 0.000 1.079 432 M CA 1.491 56.788 55.300 -0.005 0.000 1.150 432 M CB -0.128 32.430 32.600 -0.069 0.000 1.366 432 M HN 0.154 nan 8.290 nan 0.000 0.433 433 Q N 0.218 119.997 119.800 -0.034 0.000 2.167 433 Q HA -0.078 4.265 4.340 0.005 0.000 0.202 433 Q C 0.988 176.964 176.000 -0.040 0.000 0.970 433 Q CA 0.982 56.773 55.803 -0.019 0.000 0.855 433 Q CB -0.087 28.679 28.738 0.046 0.000 0.911 433 Q HN 0.442 nan 8.270 nan 0.000 0.438 434 R N -0.014 120.445 120.500 -0.069 0.000 2.721 434 R HA 0.142 4.485 4.340 0.005 0.000 0.296 434 R C 0.526 176.717 176.300 -0.182 0.000 1.174 434 R CA 0.204 56.239 56.100 -0.109 0.000 1.129 434 R CB 0.484 30.720 30.300 -0.107 0.000 1.316 434 R HN 0.111 nan 8.270 nan 0.000 0.571 435 T N -1.035 113.427 114.554 -0.154 0.000 3.019 435 T HA -0.031 4.322 4.350 0.005 0.000 0.247 435 T C 1.583 176.233 174.700 -0.083 0.000 0.992 435 T CA 0.783 62.796 62.100 -0.145 0.000 1.036 435 T CB 0.410 69.199 68.868 -0.132 0.000 1.063 435 T HN 0.174 nan 8.240 nan 0.000 0.476 436 V N -0.269 119.605 119.914 -0.066 0.000 1.103 436 V HA -0.429 3.694 4.120 0.005 0.000 0.040 436 V C 0.564 176.634 176.094 -0.039 0.000 2.043 436 V CA 2.103 64.375 62.300 -0.047 0.000 3.014 436 V CB -2.149 29.651 31.823 -0.037 0.000 1.416 436 V HN 0.615 nan 8.190 nan 0.000 0.953 447 A N 4.002 126.337 122.820 -0.809 0.000 3.275 447 A HA -0.214 4.109 4.320 0.005 0.000 0.241 447 A C 0.528 177.834 177.584 -0.463 0.000 0.607 447 A CA 1.512 52.816 52.037 -1.222 0.000 1.181 447 A CB -1.881 16.534 19.000 -0.975 0.000 1.304 447 A HN 0.642 nan 8.150 nan 0.000 0.682 448 I N 1.606 122.024 120.570 -0.254 0.000 2.517 448 I HA 0.141 4.315 4.170 0.005 0.000 0.285 448 I C 0.577 176.634 176.117 -0.100 0.000 1.106 448 I CA 0.209 61.428 61.300 -0.135 0.000 1.402 448 I CB 0.306 38.254 38.000 -0.088 0.000 1.399 448 I HN 0.458 nan 8.210 nan 0.000 0.535 449 N N 6.076 124.724 118.700 -0.088 0.000 3.194 449 N HA 0.285 5.028 4.740 0.005 0.000 0.271 449 N C 0.899 176.357 175.510 -0.087 0.000 1.308 449 N CA -0.134 52.882 53.050 -0.057 0.000 1.042 449 N CB 0.838 39.303 38.487 -0.036 0.000 1.310 449 N HN 0.653 nan 8.380 nan 0.000 0.502 450 A N 2.693 125.445 122.820 -0.114 0.000 1.917 450 A HA -0.191 4.132 4.320 0.005 0.000 0.219 450 A C 2.011 179.515 177.584 -0.134 0.000 1.182 450 A CA 1.222 53.124 52.037 -0.225 0.000 0.633 450 A CB -0.444 18.345 19.000 -0.351 0.000 0.819 450 A HN 0.554 nan 8.150 nan 0.000 0.448 451 K N -0.306 120.070 120.400 -0.040 0.000 2.444 451 K HA -0.166 4.157 4.320 0.005 0.000 0.200 451 K C 1.635 178.217 176.600 -0.031 0.000 1.045 451 K CA 1.745 58.029 56.287 -0.006 0.000 0.934 451 K CB -0.514 32.003 32.500 0.028 0.000 0.756 451 K HN 0.581 nan 8.250 nan 0.000 0.477 452 T N 1.633 116.148 114.554 -0.065 0.000 2.588 452 T HA -0.106 4.247 4.350 0.005 0.000 0.261 452 T C 2.001 176.644 174.700 -0.095 0.000 1.069 452 T CA 1.456 63.507 62.100 -0.081 0.000 1.172 452 T CB -0.162 68.644 68.868 -0.103 0.000 0.863 452 T HN 0.164 nan 8.240 nan 0.000 0.408 453 I N 0.978 121.473 120.570 -0.125 0.000 2.099 453 I HA -0.238 3.935 4.170 0.005 0.000 0.239 453 I C 2.828 178.911 176.117 -0.056 0.000 1.066 453 I CA 1.371 62.599 61.300 -0.121 0.000 1.324 453 I CB -0.977 36.928 38.000 -0.159 0.000 1.037 453 I HN 0.304 nan 8.210 nan 0.000 0.401 454 T N 0.639 115.163 114.554 -0.051 0.000 2.602 454 T HA -0.266 4.087 4.350 0.005 0.000 0.264 454 T C 1.600 176.317 174.700 0.028 0.000 1.085 454 T CA 2.425 64.529 62.100 0.006 0.000 1.164 454 T CB -0.332 68.552 68.868 0.027 0.000 0.860 454 T HN 0.551 nan 8.240 nan 0.000 0.442 455 S N -0.292 115.421 115.700 0.021 0.000 2.582 455 S HA 0.419 4.892 4.470 0.005 0.000 0.234 455 S C 1.522 176.152 174.600 0.050 0.000 0.961 455 S CA 0.271 58.501 58.200 0.049 0.000 0.953 455 S CB 0.678 63.912 63.200 0.057 0.000 0.800 455 S HN 0.488 nan 8.310 nan 0.000 0.471 456 G N 0.848 109.648 108.800 -0.000 0.000 2.848 456 G HA2 0.302 4.265 3.960 0.005 0.000 0.213 456 G HA3 0.302 4.265 3.960 0.005 0.000 0.213 456 G C 0.990 175.853 174.900 -0.061 0.000 1.101 456 G CA -0.113 44.959 45.100 -0.048 0.000 0.778 456 G HN 0.469 nan 8.290 nan 0.000 0.536 457 L N -0.248 120.959 121.223 -0.026 0.000 2.354 457 L HA 0.305 4.648 4.340 0.005 0.000 0.212 457 L C 2.496 179.378 176.870 0.020 0.000 1.091 457 L CA 0.494 55.313 54.840 -0.034 0.000 0.828 457 L CB 0.149 42.217 42.059 0.015 0.000 0.973 457 L HN -0.012 nan 8.230 nan 0.000 0.461 458 K N -1.030 119.404 120.400 0.056 0.000 2.365 458 K HA -0.129 4.194 4.320 0.005 0.000 0.199 458 K C 1.735 178.402 176.600 0.112 0.000 1.045 458 K CA 0.963 57.297 56.287 0.078 0.000 0.962 458 K CB 0.148 32.691 32.500 0.072 0.000 0.759 458 K HN 0.293 nan 8.250 nan 0.000 0.469 459 Y N 0.097 120.392 120.300 -0.008 0.000 2.301 459 Y HA -0.021 4.532 4.550 0.006 0.000 0.295 459 Y C 2.163 178.076 175.900 0.022 0.000 1.126 459 Y CA 0.897 58.998 58.100 0.003 0.000 1.154 459 Y CB 0.081 38.530 38.460 -0.020 0.000 1.075 459 Y HN -0.013 nan 8.280 nan 0.000 0.534 460 A N 0.415 123.426 122.820 0.319 0.000 1.883 460 A HA -0.212 4.111 4.320 0.005 0.000 0.217 460 A C 1.960 179.782 177.584 0.396 0.000 1.186 460 A CA 1.872 54.052 52.037 0.239 0.000 0.624 460 A CB -1.103 17.700 19.000 -0.328 0.000 0.822 460 A HN 0.480 nan 8.150 nan 0.000 0.444 461 L N -0.711 120.693 121.223 0.303 0.000 2.217 461 L HA 0.036 4.379 4.340 0.005 0.000 0.211 461 L C 2.772 179.748 176.870 0.176 0.000 1.107 461 L CA 1.552 56.564 54.840 0.288 0.000 0.783 461 L CB -0.961 41.172 42.059 0.124 0.000 0.919 461 L HN 0.405 nan 8.230 nan 0.000 0.442 462 A N -1.575 121.313 122.820 0.113 0.000 1.968 462 A HA -0.128 4.195 4.320 0.005 0.000 0.217 462 A C 2.218 179.802 177.584 0.000 0.000 1.169 462 A CA 2.056 54.112 52.037 0.031 0.000 0.638 462 A CB -0.586 18.386 19.000 -0.045 0.000 0.812 462 A HN 0.506 nan 8.150 nan 0.000 0.446 463 T N -5.781 108.783 114.554 0.016 0.000 3.087 463 T HA 0.466 4.819 4.350 0.005 0.000 0.237 463 T C 1.537 176.303 174.700 0.111 0.000 0.990 463 T CA 1.243 63.352 62.100 0.015 0.000 1.160 463 T CB 0.162 69.004 68.868 -0.043 0.000 0.923 463 T HN 1.530 nan 8.240 nan 0.000 0.442 464 G N 1.820 110.749 108.800 0.215 0.000 2.255 464 G HA2 -0.173 3.790 3.960 0.005 0.000 0.196 464 G HA3 -0.173 3.790 3.960 0.005 0.000 0.196 464 G C 0.055 175.126 174.900 0.286 0.000 0.998 464 G CA -0.216 45.017 45.100 0.222 0.000 0.656 464 G HN 0.493 nan 8.290 nan 0.000 0.490 465 N N 1.306 120.182 118.700 0.294 0.000 3.027 465 N HA 0.027 4.770 4.740 0.005 0.000 0.309 465 N C 0.259 175.948 175.510 0.299 0.000 1.222 465 N CA -0.261 52.956 53.050 0.279 0.000 1.187 465 N CB -0.405 38.268 38.487 0.311 0.000 1.458 465 N HN 0.583 nan 8.380 nan 0.000 0.535 466 W N 1.270 122.611 121.300 0.068 0.000 1.078 466 W HA 0.001 4.664 4.660 0.005 0.000 0.571 466 W C 0.372 176.902 176.519 0.019 0.000 0.567 466 W CA 0.016 57.388 57.345 0.045 0.000 2.640 466 W CB -0.360 29.120 29.460 0.032 0.000 1.007 466 W HN 0.450 nan 8.180 nan 0.000 0.168 467 G N -0.052 108.642 108.800 -0.175 0.000 3.069 467 G HA2 -0.016 3.947 3.960 0.005 0.000 0.170 467 G HA3 -0.016 3.947 3.960 0.005 0.000 0.170 467 G C 0.271 175.010 174.900 -0.268 0.000 1.494 467 G CA 0.569 45.542 45.100 -0.212 0.000 0.737 467 G HN 0.352 nan 8.290 nan 0.000 0.992 468 E N -1.447 118.556 120.200 -0.328 0.000 2.477 468 E HA -0.266 4.087 4.350 0.005 0.000 0.253 468 E C 0.966 177.169 176.600 -0.662 0.000 1.173 468 E CA 1.181 57.281 56.400 -0.499 0.000 1.263 468 E CB -1.311 28.186 29.700 -0.338 0.000 1.888 468 E HN 0.310 nan 8.360 nan 0.000 0.602 469 Q N 1.230 120.791 119.800 -0.398 0.000 2.282 469 Q HA 0.334 4.677 4.340 0.005 0.000 0.206 469 Q C 1.276 177.172 176.000 -0.173 0.000 0.878 469 Q CA 0.872 56.491 55.803 -0.307 0.000 0.944 469 Q CB 0.470 29.084 28.738 -0.207 0.000 1.100 469 Q HN 0.218 nan 8.270 nan 0.000 0.509 470 K N 0.637 120.947 120.400 -0.150 0.000 2.287 470 K HA 0.100 4.423 4.320 0.005 0.000 0.199 470 K C 0.556 177.129 176.600 -0.046 0.000 1.061 470 K CA 0.843 57.080 56.287 -0.083 0.000 0.976 470 K CB 0.383 32.836 32.500 -0.077 0.000 0.898 470 K HN 0.206 nan 8.250 nan 0.000 0.492 471 K N -0.527 119.849 120.400 -0.040 0.000 3.599 471 K HA -0.342 3.981 4.320 0.005 0.000 0.317 471 K C 1.204 177.819 176.600 0.025 0.000 0.781 471 K CA 1.885 58.181 56.287 0.016 0.000 1.375 471 K CB -2.266 30.264 32.500 0.050 0.000 1.412 471 K HN 0.109 nan 8.250 nan 0.000 0.455 472 A N 0.583 123.408 122.820 0.009 0.000 2.076 472 A HA 0.057 4.380 4.320 0.005 0.000 0.220 472 A C 1.263 178.856 177.584 0.015 0.000 1.160 472 A CA 1.454 53.498 52.037 0.011 0.000 0.653 472 A CB -0.401 18.600 19.000 0.001 0.000 0.801 472 A HN 0.522 nan 8.150 nan 0.000 0.455 473 M N 1.775 121.383 119.600 0.013 0.000 2.612 473 M HA 0.032 4.515 4.480 0.005 0.000 0.336 473 M C 1.225 177.557 176.300 0.053 0.000 1.699 473 M CA 0.549 55.865 55.300 0.027 0.000 1.284 473 M CB -0.020 32.591 32.600 0.020 0.000 1.957 473 M HN 0.372 nan 8.290 nan 0.000 0.456 474 S N 0.264 115.992 115.700 0.048 0.000 2.641 474 S HA -0.096 4.377 4.470 0.005 0.000 0.239 474 S C 1.381 176.024 174.600 0.071 0.000 0.972 474 S CA 0.656 58.888 58.200 0.052 0.000 0.954 474 S CB -0.913 62.309 63.200 0.036 0.000 0.767 474 S HN 0.814 nan 8.310 nan 0.000 0.539 475 S N 1.642 117.403 115.700 0.101 0.000 2.607 475 S HA 0.016 4.489 4.470 0.005 0.000 0.224 475 S C 1.478 176.179 174.600 0.168 0.000 0.969 475 S CA -0.044 58.239 58.200 0.139 0.000 0.927 475 S CB -0.264 63.067 63.200 0.219 0.000 0.772 475 S HN 0.648 nan 8.310 nan 0.000 0.533 476 R N 2.391 122.980 120.500 0.148 0.000 2.237 476 R HA 0.320 4.663 4.340 0.005 0.000 0.219 476 R C 1.991 178.355 176.300 0.108 0.000 1.080 476 R CA 0.809 57.003 56.100 0.156 0.000 0.995 476 R CB -1.444 28.936 30.300 0.133 0.000 0.875 476 R HN 0.373 nan 8.270 nan 0.000 0.462 477 A N 0.897 123.761 122.820 0.075 0.000 2.067 477 A HA -0.175 4.148 4.320 0.005 0.000 0.218 477 A C 1.921 179.528 177.584 0.039 0.000 1.395 477 A CA 2.181 54.245 52.037 0.046 0.000 0.821 477 A CB -1.421 17.596 19.000 0.028 0.000 0.822 477 A HN 0.485 nan 8.150 nan 0.000 0.502 478 G N -3.482 105.327 108.800 0.015 0.000 2.727 478 G HA2 0.360 4.323 3.960 0.005 0.000 0.212 478 G HA3 0.360 4.323 3.960 0.005 0.000 0.212 478 G C 0.638 175.514 174.900 -0.040 0.000 2.076 478 G CA 1.005 46.105 45.100 -0.001 0.000 0.744 478 G HN 1.354 nan 8.290 nan 0.000 0.775 479 V N 0.185 120.023 119.914 -0.128 0.000 4.374 479 V HA -0.145 3.978 4.120 0.005 0.000 0.218 479 V C 0.615 176.569 176.094 -0.234 0.000 0.599 479 V CA 1.397 63.519 62.300 -0.297 0.000 0.843 479 V CB -2.136 29.346 31.823 -0.567 0.000 0.841 479 V HN 0.852 nan 8.190 nan 0.000 1.012 480 S N -0.977 114.690 115.700 -0.054 0.000 2.703 480 S HA 0.129 4.602 4.470 0.005 0.000 0.188 480 S C 0.328 174.971 174.600 0.073 0.000 0.797 480 S CA -0.452 57.774 58.200 0.043 0.000 0.888 480 S CB 0.114 63.387 63.200 0.122 0.000 1.605 480 S HN 0.725 nan 8.310 nan 0.000 0.553 481 Q N 0.368 120.220 119.800 0.087 0.000 2.526 481 Q HA 0.302 4.645 4.340 0.005 0.000 0.207 481 Q C 0.506 176.564 176.000 0.098 0.000 1.078 481 Q CA -0.205 55.667 55.803 0.115 0.000 1.041 481 Q CB 0.437 29.329 28.738 0.257 0.000 1.228 481 Q HN 0.271 nan 8.270 nan 0.000 0.603 482 V N 1.496 121.433 119.914 0.039 0.000 2.370 482 V HA 0.097 4.220 4.120 0.005 0.000 0.279 482 V C 1.206 177.279 176.094 -0.035 0.000 1.280 482 V CA -0.084 62.225 62.300 0.015 0.000 1.392 482 V CB -1.370 30.448 31.823 -0.009 0.000 1.464 482 V HN 0.722 nan 8.190 nan 0.000 0.525 483 L N 1.033 122.263 121.223 0.011 0.000 5.815 483 L HA -0.355 3.988 4.340 0.005 0.000 0.053 483 L C 0.621 177.345 176.870 -0.244 0.000 1.954 483 L CA 2.297 57.112 54.840 -0.041 0.000 1.859 483 L CB -0.113 41.869 42.059 -0.129 0.000 2.528 483 L HN 0.880 nan 8.230 nan 0.000 0.918 484 N N -1.210 117.370 118.700 -0.201 0.000 5.326 484 N HA 0.165 4.908 4.740 0.005 0.000 0.147 484 N C -1.275 174.177 175.510 -0.096 0.000 1.192 484 N CA -0.228 52.698 53.050 -0.205 0.000 1.002 484 N CB 0.309 38.576 38.487 -0.367 0.000 1.610 484 N HN 0.396 nan 8.380 nan 0.000 1.009 485 R N 2.704 123.166 120.500 -0.062 0.000 3.220 485 R HA 0.195 4.538 4.340 0.005 0.000 0.324 485 R C -0.117 176.104 176.300 -0.131 0.000 1.283 485 R CA -0.303 55.803 56.100 0.010 0.000 1.387 485 R CB 0.190 30.561 30.300 0.118 0.000 1.413 485 R HN 0.549 nan 8.270 nan 0.000 0.610 486 Y N -0.069 120.143 120.300 -0.147 0.000 2.262 486 Y HA 0.128 4.681 4.550 0.005 0.000 0.295 486 Y C 0.757 176.624 175.900 -0.055 0.000 1.121 486 Y CA 1.131 59.126 58.100 -0.175 0.000 1.144 486 Y CB 0.871 39.242 38.460 -0.148 0.000 1.043 486 Y HN -0.058 nan 8.280 nan 0.000 0.528 487 T N -1.264 113.381 114.554 0.152 0.000 2.926 487 T HA 0.115 4.468 4.350 0.005 0.000 0.289 487 T C -0.243 174.582 174.700 0.208 0.000 1.054 487 T CA -0.463 61.737 62.100 0.166 0.000 1.015 487 T CB 1.317 70.306 68.868 0.202 0.000 1.167 487 T HN 0.188 nan 8.240 nan 0.000 0.526 488 Y N 1.632 121.989 120.300 0.095 0.000 2.263 488 Y HA -0.020 4.533 4.550 0.005 0.000 0.292 488 Y C 2.479 178.417 175.900 0.063 0.000 1.130 488 Y CA 2.046 60.174 58.100 0.047 0.000 1.179 488 Y CB -0.319 38.116 38.460 -0.041 0.000 0.998 488 Y HN 0.579 nan 8.280 nan 0.000 0.532 489 S N -1.397 114.285 115.700 -0.030 0.000 2.561 489 S HA -0.074 4.399 4.470 0.005 0.000 0.225 489 S C 2.129 176.658 174.600 -0.120 0.000 0.977 489 S CA 0.637 58.728 58.200 -0.183 0.000 0.926 489 S CB -0.710 62.427 63.200 -0.104 0.000 0.769 489 S HN 0.472 nan 8.310 nan 0.000 0.533 490 S N 2.070 117.751 115.700 -0.032 0.000 2.335 490 S HA -0.135 4.338 4.470 0.005 0.000 0.216 490 S C 1.963 176.534 174.600 -0.048 0.000 1.032 490 S CA 1.981 60.170 58.200 -0.018 0.000 1.000 490 S CB -1.425 61.800 63.200 0.042 0.000 0.928 490 S HN 0.631 nan 8.310 nan 0.000 0.434 491 T N 3.257 117.781 114.554 -0.050 0.000 2.592 491 T HA -0.186 4.167 4.350 0.005 0.000 0.267 491 T C 1.747 176.386 174.700 -0.101 0.000 1.060 491 T CA 1.932 63.995 62.100 -0.062 0.000 1.167 491 T CB -0.868 67.983 68.868 -0.029 0.000 0.863 491 T HN 0.338 nan 8.240 nan 0.000 0.431 492 L N 0.722 121.805 121.223 -0.232 0.000 2.081 492 L HA -0.182 4.161 4.340 0.005 0.000 0.212 492 L C 2.840 179.636 176.870 -0.123 0.000 1.080 492 L CA 1.572 56.282 54.840 -0.217 0.000 0.754 492 L CB -0.489 41.355 42.059 -0.359 0.000 0.893 492 L HN 0.353 nan 8.230 nan 0.000 0.433 493 S N -1.672 113.968 115.700 -0.100 0.000 2.402 493 S HA -0.242 4.231 4.470 0.005 0.000 0.229 493 S C 2.046 176.638 174.600 -0.014 0.000 1.021 493 S CA 0.962 59.126 58.200 -0.060 0.000 0.974 493 S CB -0.318 62.854 63.200 -0.048 0.000 0.800 493 S HN 0.544 nan 8.310 nan 0.000 0.484 494 H N 0.606 119.622 119.070 -0.090 0.000 2.448 494 H HA 0.153 4.712 4.556 0.005 0.000 0.292 494 H C 1.904 177.192 175.328 -0.068 0.000 1.035 494 H CA 1.227 57.230 56.048 -0.075 0.000 1.349 494 H CB -0.037 29.681 29.762 -0.073 0.000 1.425 494 H HN 0.395 nan 8.280 nan 0.000 0.539 495 L N 0.474 121.653 121.223 -0.072 0.000 2.275 495 L HA -0.091 4.252 4.340 0.005 0.000 0.215 495 L C 1.403 178.201 176.870 -0.120 0.000 1.119 495 L CA 0.910 55.689 54.840 -0.102 0.000 0.790 495 L CB -0.158 41.874 42.059 -0.044 0.000 0.919 495 L HN 0.133 nan 8.230 nan 0.000 0.443 496 R N 0.332 120.766 120.500 -0.110 0.000 2.978 496 R HA 0.223 4.566 4.340 0.005 0.000 0.298 496 R C 0.129 176.360 176.300 -0.115 0.000 1.296 496 R CA -0.166 55.877 56.100 -0.096 0.000 1.181 496 R CB 0.080 30.337 30.300 -0.071 0.000 1.348 496 R HN 0.209 nan 8.270 nan 0.000 0.585 497 R N 0.253 120.653 120.500 -0.166 0.000 2.598 497 R HA 0.320 4.663 4.340 0.005 0.000 0.279 497 R C -0.646 175.577 176.300 -0.128 0.000 0.984 497 R CA -0.131 55.870 56.100 -0.164 0.000 0.999 497 R CB 1.683 31.842 30.300 -0.236 0.000 1.114 497 R HN -0.106 nan 8.270 nan 0.000 0.493 498 T N 2.136 116.635 114.554 -0.091 0.000 2.824 498 T HA 0.286 4.639 4.350 0.005 0.000 0.282 498 T C -0.818 173.854 174.700 -0.046 0.000 0.993 498 T CA -0.645 61.424 62.100 -0.052 0.000 0.967 498 T CB 1.283 70.142 68.868 -0.015 0.000 0.960 498 T HN 0.460 nan 8.240 nan 0.000 0.441 499 N N 0.939 119.616 118.700 -0.039 0.000 2.502 499 N HA 0.684 5.427 4.740 0.005 0.000 0.280 499 N C -1.210 174.298 175.510 -0.002 0.000 1.223 499 N CA -0.482 52.552 53.050 -0.028 0.000 0.966 499 N CB 1.371 39.833 38.487 -0.040 0.000 1.203 499 N HN 0.552 nan 8.380 nan 0.000 0.565 500 T N 1.352 115.909 114.554 0.005 0.000 3.829 500 T HA 0.302 4.655 4.350 0.005 0.000 0.332 500 T C -2.772 171.936 174.700 0.013 0.000 0.845 500 T CA -0.713 61.399 62.100 0.019 0.000 1.010 500 T CB 1.355 70.248 68.868 0.041 0.000 1.051 500 T HN 0.375 nan 8.240 nan 0.000 0.465 501 P HA 0.171 nan 4.420 nan 0.000 0.269 501 P C 0.889 178.194 177.300 0.008 0.000 1.185 501 P CA 0.093 63.199 63.100 0.010 0.000 0.769 501 P CB 0.295 32.002 31.700 0.012 0.000 0.809 510 K N 0.976 121.356 120.400 -0.034 0.000 3.084 510 K HA 0.334 4.657 4.320 0.005 0.000 0.172 510 K C -2.292 174.302 176.600 -0.009 0.000 1.078 510 K CA -1.272 55.005 56.287 -0.017 0.000 0.875 510 K CB 1.963 34.458 32.500 -0.008 0.000 1.064 510 K HN 0.307 nan 8.250 nan 0.000 0.597 511 P HA -0.129 nan 4.420 nan 0.000 0.217 511 P C 0.734 178.057 177.300 0.038 0.000 1.154 511 P CA 0.950 64.060 63.100 0.017 0.000 0.841 511 P CB 0.350 32.060 31.700 0.015 0.000 0.788 512 R N -0.823 119.691 120.500 0.024 0.000 2.189 512 R HA -0.011 4.332 4.340 0.005 0.000 0.223 512 R C 1.153 177.475 176.300 0.036 0.000 1.092 512 R CA 0.353 56.468 56.100 0.024 0.000 0.989 512 R CB -0.544 29.760 30.300 0.007 0.000 0.876 512 R HN 0.290 nan 8.270 nan 0.000 0.457 513 Q N 0.796 120.620 119.800 0.039 0.000 2.428 513 Q HA 0.006 4.349 4.340 0.005 0.000 0.276 513 Q C -0.684 175.372 176.000 0.093 0.000 1.059 513 Q CA 0.223 56.056 55.803 0.049 0.000 0.923 513 Q CB 0.558 29.323 28.738 0.044 0.000 1.283 513 Q HN 0.065 nan 8.270 nan 0.000 0.447 514 L N 3.581 124.857 121.223 0.088 0.000 2.302 514 L HA 0.248 4.591 4.340 0.005 0.000 0.285 514 L C -1.019 175.891 176.870 0.066 0.000 1.090 514 L CA -0.122 54.815 54.840 0.162 0.000 0.866 514 L CB -0.096 42.021 42.059 0.096 0.000 1.244 514 L HN 0.612 nan 8.230 nan 0.000 0.435 515 H N 3.147 122.082 119.070 -0.224 0.000 2.548 515 H HA 0.279 4.838 4.556 0.005 0.000 0.331 515 H C 1.116 176.267 175.328 -0.295 0.000 1.093 515 H CA 0.192 56.046 56.048 -0.324 0.000 1.367 515 H CB 0.805 30.305 29.762 -0.438 0.000 1.455 515 H HN 0.710 nan 8.280 nan 0.000 0.519 516 N N 1.936 120.107 118.700 -0.882 0.000 2.171 516 N HA -0.314 4.429 4.740 0.005 0.000 0.200 516 N C 1.411 176.704 175.510 -0.361 0.000 0.991 516 N CA 2.503 55.204 53.050 -0.581 0.000 0.906 516 N CB -0.344 37.749 38.487 -0.657 0.000 1.060 516 N HN 0.818 nan 8.380 nan 0.000 0.510 517 T N -2.016 112.287 114.554 -0.419 0.000 3.072 517 T HA -0.045 4.308 4.350 0.005 0.000 0.266 517 T C 1.419 176.145 174.700 0.045 0.000 1.127 517 T CA 0.727 62.747 62.100 -0.132 0.000 1.107 517 T CB -0.254 68.485 68.868 -0.215 0.000 0.910 517 T HN 0.227 nan 8.240 nan 0.000 0.513 518 H N -0.056 118.985 119.070 -0.047 0.000 2.489 518 H HA 0.052 4.611 4.556 0.005 0.000 0.293 518 H C 0.847 176.138 175.328 -0.063 0.000 1.066 518 H CA 0.011 55.961 56.048 -0.164 0.000 1.305 518 H CB -0.614 29.023 29.762 -0.209 0.000 1.386 518 H HN 0.572 nan 8.280 nan 0.000 0.551 519 W N 2.167 123.449 121.300 -0.030 0.000 2.715 519 W HA 0.195 4.858 4.660 0.005 0.000 0.351 519 W C 0.619 177.102 176.519 -0.059 0.000 1.406 519 W CA 1.559 58.869 57.345 -0.058 0.000 1.354 519 W CB -0.469 28.945 29.460 -0.075 0.000 1.453 519 W HN 0.451 nan 8.180 nan 0.000 0.572 520 G N 3.781 112.349 108.800 -0.387 0.000 2.259 520 G HA2 -0.289 3.674 3.960 0.005 0.000 0.217 520 G HA3 -0.289 3.674 3.960 0.005 0.000 0.217 520 G C 0.691 175.476 174.900 -0.191 0.000 1.001 520 G CA 0.292 45.193 45.100 -0.332 0.000 0.627 520 G HN 0.537 nan 8.290 nan 0.000 0.501 521 L N -0.430 120.713 121.223 -0.133 0.000 2.541 521 L HA 0.457 4.800 4.340 0.005 0.000 0.187 521 L C 1.227 177.980 176.870 -0.195 0.000 1.098 521 L CA 0.151 54.930 54.840 -0.102 0.000 0.846 521 L CB -0.494 41.598 42.059 0.054 0.000 1.151 521 L HN 0.065 nan 8.230 nan 0.000 0.492 522 V N 0.309 120.022 119.914 -0.335 0.000 2.716 522 V HA 0.149 4.272 4.120 0.005 0.000 0.304 522 V C 0.001 175.924 176.094 -0.286 0.000 1.053 522 V CA -0.890 61.171 62.300 -0.398 0.000 0.984 522 V CB 2.379 33.751 31.823 -0.751 0.000 1.021 522 V HN 0.359 nan 8.190 nan 0.000 0.467 523 C N 7.359 126.520 119.300 -0.232 0.000 2.632 523 C HA 0.255 4.718 4.460 0.005 0.000 0.415 523 C C -0.231 174.662 174.990 -0.162 0.000 1.332 523 C CA -1.160 57.752 59.018 -0.177 0.000 1.874 523 C CB 0.291 27.948 27.740 -0.139 0.000 2.596 523 C HN 0.828 nan 8.230 nan 0.000 0.590 524 P HA -0.073 nan 4.420 nan 0.000 0.221 524 P C 0.757 178.018 177.300 -0.065 0.000 1.145 524 P CA 2.251 65.309 63.100 -0.070 0.000 0.795 524 P CB 0.194 31.869 31.700 -0.041 0.000 0.775 525 A N -0.795 121.978 122.820 -0.077 0.000 1.988 525 A HA 0.096 4.420 4.320 0.005 0.000 0.198 525 A C 1.181 178.710 177.584 -0.092 0.000 1.507 525 A CA -0.111 51.882 52.037 -0.073 0.000 0.901 525 A CB -0.508 18.461 19.000 -0.052 0.000 1.007 525 A HN 0.026 nan 8.150 nan 0.000 0.502 526 E N 1.462 121.606 120.200 -0.094 0.000 2.406 526 E HA 0.309 4.662 4.350 0.005 0.000 0.258 526 E C -0.662 175.877 176.600 -0.101 0.000 1.043 526 E CA 0.551 56.895 56.400 -0.094 0.000 0.929 526 E CB 0.116 29.760 29.700 -0.093 0.000 0.969 526 E HN 0.376 nan 8.360 nan 0.000 0.462 527 T N 3.727 118.223 114.554 -0.097 0.000 3.289 527 T HA 0.230 4.583 4.350 0.005 0.000 0.370 527 T C -2.962 171.686 174.700 -0.087 0.000 1.546 527 T CA -1.398 60.647 62.100 -0.091 0.000 1.144 527 T CB 1.615 70.426 68.868 -0.094 0.000 1.379 527 T HN 0.191 nan 8.240 nan 0.000 0.478 528 P HA 0.321 nan 4.420 nan 0.000 0.274 528 P C -0.215 177.053 177.300 -0.053 0.000 1.470 528 P CA -0.194 62.875 63.100 -0.051 0.000 1.001 528 P CB 0.549 32.229 31.700 -0.033 0.000 1.332 529 E N 3.461 123.618 120.200 -0.071 0.000 2.608 529 E HA 0.244 4.597 4.350 0.005 0.000 0.259 529 E C 1.146 177.731 176.600 -0.025 0.000 0.951 529 E CA 1.834 58.193 56.400 -0.068 0.000 0.945 529 E CB -0.362 29.281 29.700 -0.095 0.000 0.916 529 E HN 0.780 nan 8.360 nan 0.000 0.477 530 G N 3.553 112.340 108.800 -0.022 0.000 2.826 530 G HA2 -0.362 3.601 3.960 0.005 0.000 0.233 530 G HA3 -0.362 3.601 3.960 0.005 0.000 0.233 530 G C 0.676 175.570 174.900 -0.012 0.000 1.296 530 G CA 0.223 45.318 45.100 -0.009 0.000 1.001 530 G HN 0.632 nan 8.290 nan 0.000 0.576 531 Q N -0.161 119.634 119.800 -0.009 0.000 2.251 531 Q HA -0.118 4.225 4.340 0.005 0.000 0.297 531 Q C 2.087 178.081 176.000 -0.010 0.000 1.058 531 Q CA 3.764 59.562 55.803 -0.009 0.000 0.937 531 Q CB -0.910 27.823 28.738 -0.008 0.000 0.956 531 Q HN 1.975 nan 8.270 nan 0.000 0.510 532 A N -0.576 122.238 122.820 -0.011 0.000 3.232 532 A HA 0.416 4.740 4.320 0.005 0.000 0.312 532 A C -0.410 177.164 177.584 -0.016 0.000 1.185 532 A CA -0.303 51.727 52.037 -0.011 0.000 1.011 532 A CB -0.188 18.808 19.000 -0.008 0.000 1.096 532 A HN 0.506 nan 8.150 nan 0.000 0.543 533 C N 0.422 119.710 119.300 -0.020 0.000 2.601 533 C HA 0.564 5.027 4.460 0.005 0.000 0.409 533 C C 1.853 176.827 174.990 -0.027 0.000 1.293 533 C CA 1.210 60.210 59.018 -0.030 0.000 2.101 533 C CB -0.557 27.162 27.740 -0.035 0.000 2.639 533 C HN 2.037 nan 8.230 nan 0.000 0.592 534 G N 3.983 112.761 108.800 -0.036 0.000 2.270 534 G HA2 -0.286 3.678 3.960 0.005 0.000 0.268 534 G HA3 -0.286 3.678 3.960 0.005 0.000 0.268 534 G C 0.654 175.547 174.900 -0.012 0.000 0.982 534 G CA 0.927 46.011 45.100 -0.026 0.000 0.628 534 G HN 0.882 nan 8.290 nan 0.000 0.544 535 L N -0.233 120.984 121.223 -0.009 0.000 2.131 535 L HA 0.161 4.504 4.340 0.005 0.000 0.206 535 L C 1.493 178.358 176.870 -0.009 0.000 1.087 535 L CA 0.650 55.491 54.840 0.002 0.000 0.767 535 L CB -0.413 41.647 42.059 0.001 0.000 0.917 535 L HN 0.172 nan 8.230 nan 0.000 0.441 536 V N 1.301 121.199 119.914 -0.027 0.000 2.509 536 V HA 0.270 4.393 4.120 0.005 0.000 0.284 536 V C -0.021 176.034 176.094 -0.066 0.000 1.047 536 V CA -0.400 61.876 62.300 -0.039 0.000 0.952 536 V CB 1.455 33.257 31.823 -0.035 0.000 0.988 536 V HN 0.158 nan 8.190 nan 0.000 0.469 537 K N 3.330 123.683 120.400 -0.078 0.000 2.477 537 K HA 0.533 4.856 4.320 0.005 0.000 0.255 537 K C -1.287 175.246 176.600 -0.112 0.000 0.952 537 K CA -0.842 55.373 56.287 -0.120 0.000 0.826 537 K CB 2.297 34.695 32.500 -0.170 0.000 1.331 537 K HN 0.502 nan 8.250 nan 0.000 0.437 538 N N 1.665 120.287 118.700 -0.130 0.000 2.321 538 N HA 0.381 5.124 4.740 0.005 0.000 0.299 538 N C -0.298 175.133 175.510 -0.132 0.000 1.048 538 N CA -0.595 52.386 53.050 -0.115 0.000 0.836 538 N CB 1.752 40.179 38.487 -0.100 0.000 1.269 538 N HN 0.335 nan 8.380 nan 0.000 0.486 539 L N 1.050 122.209 121.223 -0.107 0.000 2.452 539 L HA 0.139 4.482 4.340 0.005 0.000 0.267 539 L C 1.385 178.191 176.870 -0.106 0.000 1.188 539 L CA 0.090 54.866 54.840 -0.105 0.000 0.821 539 L CB 0.637 42.652 42.059 -0.073 0.000 1.102 539 L HN 0.442 nan 8.230 nan 0.000 0.470 540 S N 0.899 116.523 115.700 -0.126 0.000 2.580 540 S HA 0.089 4.562 4.470 0.005 0.000 0.261 540 S C 1.382 175.947 174.600 -0.058 0.000 1.366 540 S CA -0.584 57.545 58.200 -0.119 0.000 0.996 540 S CB 0.558 63.655 63.200 -0.172 0.000 0.902 540 S HN 0.426 nan 8.310 nan 0.000 0.566 541 L N 0.998 122.215 121.223 -0.010 0.000 1.943 541 L HA -0.105 4.238 4.340 0.005 0.000 0.215 541 L C 1.875 178.796 176.870 0.085 0.000 1.074 541 L CA 1.460 56.372 54.840 0.120 0.000 0.759 541 L CB -0.296 41.910 42.059 0.245 0.000 0.888 541 L HN 0.618 nan 8.230 nan 0.000 0.433 542 M N 0.898 120.440 119.600 -0.095 0.000 3.663 542 M HA 0.061 4.544 4.480 0.005 0.000 0.198 542 M C -0.398 175.685 176.300 -0.361 0.000 1.365 542 M CA -0.071 55.005 55.300 -0.373 0.000 1.595 542 M CB -0.382 31.866 32.600 -0.586 0.000 1.120 542 M HN 0.283 nan 8.290 nan 0.000 0.522 543 S N -0.799 114.790 115.700 -0.185 0.000 2.566 543 S HA 0.610 5.083 4.470 0.005 0.000 0.273 543 S C -0.669 173.790 174.600 -0.234 0.000 1.157 543 S CA -1.112 56.941 58.200 -0.244 0.000 0.938 543 S CB 0.982 64.059 63.200 -0.205 0.000 1.087 543 S HN 0.441 nan 8.310 nan 0.000 0.474 544 C N 2.116 121.132 119.300 -0.474 0.000 2.710 544 C HA 0.809 5.272 4.460 0.005 0.000 0.367 544 C C -0.289 174.379 174.990 -0.537 0.000 1.315 544 C CA -0.956 57.811 59.018 -0.418 0.000 1.764 544 C CB 0.122 27.698 27.740 -0.272 0.000 2.182 544 C HN 0.883 nan 8.230 nan 0.000 0.491 545 I N 1.468 121.915 120.570 -0.205 0.000 2.404 545 I HA 0.309 4.482 4.170 0.005 0.000 0.293 545 I C 0.679 176.938 176.117 0.237 0.000 0.992 545 I CA 0.374 61.658 61.300 -0.027 0.000 1.149 545 I CB 1.645 39.645 38.000 0.001 0.000 1.315 545 I HN 0.819 nan 8.210 nan 0.000 0.446 546 S N 5.115 121.089 115.700 0.456 0.000 2.702 546 S HA -0.036 4.437 4.470 0.005 0.000 0.314 546 S C 1.043 175.757 174.600 0.189 0.000 1.244 546 S CA -0.227 58.205 58.200 0.387 0.000 1.058 546 S CB 0.659 63.983 63.200 0.208 0.000 0.783 546 S HN 0.592 nan 8.310 nan 0.000 0.503 547 V N 4.368 124.366 119.914 0.140 0.000 2.719 547 V HA 0.283 4.406 4.120 0.005 0.000 0.252 547 V C 1.354 177.462 176.094 0.023 0.000 1.065 547 V CA 1.634 63.972 62.300 0.063 0.000 1.086 547 V CB -1.228 30.612 31.823 0.028 0.000 0.700 547 V HN 1.846 nan 8.190 nan 0.000 0.467 548 G N 0.635 109.445 108.800 0.017 0.000 3.439 548 G HA2 -0.145 3.818 3.960 0.005 0.000 0.684 548 G HA3 -0.145 3.818 3.960 0.005 0.000 0.684 548 G C -0.255 174.635 174.900 -0.017 0.000 1.005 548 G CA -0.012 45.096 45.100 0.014 0.000 0.837 548 G HN 0.593 nan 8.290 nan 0.000 0.470 549 T N 1.008 115.551 114.554 -0.017 0.000 2.923 549 T HA 0.693 5.046 4.350 0.005 0.000 0.282 549 T C -0.224 174.476 174.700 0.000 0.000 1.137 549 T CA -0.036 62.047 62.100 -0.028 0.000 0.958 549 T CB 1.078 69.919 68.868 -0.045 0.000 1.961 549 T HN 0.608 nan 8.240 nan 0.000 0.586 550 D N 1.018 121.419 120.400 0.001 0.000 2.375 550 D HA 0.445 5.088 4.640 0.005 0.000 0.247 550 D C -1.573 174.725 176.300 -0.004 0.000 1.061 550 D CA -2.187 51.820 54.000 0.011 0.000 0.834 550 D CB 1.773 42.589 40.800 0.026 0.000 1.247 550 D HN 0.082 nan 8.370 nan 0.000 0.489 551 P HA -0.007 nan 4.420 nan 0.000 0.222 551 P C 1.080 178.350 177.300 -0.051 0.000 1.157 551 P CA 0.601 63.687 63.100 -0.024 0.000 0.816 551 P CB 0.027 31.723 31.700 -0.007 0.000 0.813 552 M N -1.943 117.634 119.600 -0.038 0.000 2.595 552 M HA 0.265 4.748 4.480 0.005 0.000 0.248 552 M C -1.400 174.887 176.300 -0.022 0.000 1.119 552 M CA 0.678 55.950 55.300 -0.047 0.000 1.079 552 M CB -1.713 30.870 32.600 -0.029 0.000 1.472 552 M HN -0.137 nan 8.290 nan 0.000 0.501 553 P HA 0.155 nan 4.420 nan 0.000 0.257 553 P C 0.894 178.196 177.300 0.002 0.000 1.325 553 P CA 0.509 63.610 63.100 0.001 0.000 0.850 553 P CB 0.109 31.804 31.700 -0.009 0.000 1.324 554 I N -1.037 119.526 120.570 -0.012 0.000 3.300 554 I HA -0.013 4.160 4.170 0.005 0.000 0.279 554 I C 1.960 178.085 176.117 0.013 0.000 1.172 554 I CA 0.259 61.562 61.300 0.007 0.000 1.431 554 I CB -0.475 37.502 38.000 -0.038 0.000 1.240 554 I HN -0.141 nan 8.210 nan 0.000 0.453 555 I N 1.497 122.017 120.570 -0.084 0.000 2.091 555 I HA -0.308 3.865 4.170 0.005 0.000 0.239 555 I C 2.526 178.613 176.117 -0.051 0.000 1.061 555 I CA 1.844 63.048 61.300 -0.161 0.000 1.317 555 I CB -1.686 36.152 38.000 -0.269 0.000 1.031 555 I HN 0.170 nan 8.210 nan 0.000 0.401 556 T N 0.845 115.400 114.554 0.002 0.000 2.759 556 T HA -0.226 4.127 4.350 0.005 0.000 0.269 556 T C 1.723 176.484 174.700 0.102 0.000 1.042 556 T CA 1.383 63.511 62.100 0.047 0.000 1.140 556 T CB -0.510 68.391 68.868 0.056 0.000 0.864 556 T HN 0.305 nan 8.240 nan 0.000 0.455 557 F N 1.072 121.014 119.950 -0.013 0.000 2.325 557 F HA 0.147 4.677 4.527 0.005 0.000 0.299 557 F C 1.699 177.514 175.800 0.025 0.000 1.090 557 F CA 0.636 58.634 58.000 -0.005 0.000 1.392 557 F CB -0.310 38.620 39.000 -0.117 0.000 1.053 557 F HN 0.063 nan 8.300 nan 0.000 0.521 558 L N -0.219 120.947 121.223 -0.095 0.000 2.044 558 L HA -0.163 4.180 4.340 0.005 0.000 0.205 558 L C 2.780 179.610 176.870 -0.068 0.000 1.075 558 L CA 1.421 56.174 54.840 -0.145 0.000 0.747 558 L CB -0.880 41.140 42.059 -0.066 0.000 0.903 558 L HN 0.266 nan 8.230 nan 0.000 0.435 559 S N -1.200 114.483 115.700 -0.029 0.000 2.447 559 S HA -0.178 4.296 4.470 0.005 0.000 0.233 559 S C 1.705 176.308 174.600 0.004 0.000 1.006 559 S CA 0.800 58.999 58.200 -0.001 0.000 0.957 559 S CB -0.308 62.894 63.200 0.003 0.000 0.773 559 S HN 0.404 nan 8.310 nan 0.000 0.507 560 E N -0.764 119.446 120.200 0.017 0.000 2.418 560 E HA -0.024 4.329 4.350 0.005 0.000 0.197 560 E C -0.278 176.317 176.600 -0.008 0.000 1.026 560 E CA 0.430 56.856 56.400 0.044 0.000 0.862 560 E CB 0.064 29.860 29.700 0.160 0.000 0.799 560 E HN 0.761 nan 8.360 nan 0.000 0.518 561 W N -0.191 120.945 121.300 -0.274 0.000 2.357 561 W HA 0.310 4.973 4.660 0.005 0.000 0.386 561 W C 0.696 177.182 176.519 -0.055 0.000 0.889 561 W CA 0.335 57.529 57.345 -0.251 0.000 2.425 561 W CB 1.042 30.183 29.460 -0.532 0.000 1.244 561 W HN 0.055 nan 8.180 nan 0.000 0.646 562 G N 1.154 109.990 108.800 0.059 0.000 2.141 562 G HA2 -0.303 3.660 3.960 0.005 0.000 0.231 562 G HA3 -0.303 3.660 3.960 0.005 0.000 0.231 562 G C 0.217 175.185 174.900 0.114 0.000 0.984 562 G CA -0.120 45.003 45.100 0.038 0.000 0.660 562 G HN 0.244 nan 8.290 nan 0.000 0.525 563 M N 1.235 120.945 119.600 0.182 0.000 2.162 563 M HA 0.581 5.064 4.480 0.005 0.000 0.356 563 M C 0.023 176.333 176.300 0.018 0.000 1.303 563 M CA -0.149 55.236 55.300 0.142 0.000 1.116 563 M CB 0.356 33.017 32.600 0.100 0.000 1.632 563 M HN 0.202 nan 8.290 nan 0.000 0.469 564 E N 7.306 127.490 120.200 -0.027 0.000 2.229 564 E HA 0.360 4.713 4.350 0.005 0.000 0.283 564 E C -2.257 174.283 176.600 -0.099 0.000 1.030 564 E CA -1.773 54.591 56.400 -0.060 0.000 0.836 564 E CB 0.682 30.344 29.700 -0.064 0.000 1.068 564 E HN 0.506 nan 8.360 nan 0.000 0.401 565 P HA -0.072 nan 4.420 nan 0.000 0.275 565 P C 0.436 177.609 177.300 -0.211 0.000 1.270 565 P CA -0.365 62.672 63.100 -0.105 0.000 0.791 565 P CB 0.823 32.497 31.700 -0.043 0.000 1.089 566 L N 0.573 121.642 121.223 -0.257 0.000 2.109 566 L HA -0.100 4.244 4.340 0.005 0.000 0.207 566 L C 1.920 178.658 176.870 -0.221 0.000 1.086 566 L CA 1.811 56.383 54.840 -0.446 0.000 0.760 566 L CB -1.398 40.383 42.059 -0.463 0.000 0.910 566 L HN 0.354 nan 8.230 nan 0.000 0.437 567 E N -1.722 118.440 120.200 -0.063 0.000 2.463 567 E HA -0.073 4.280 4.350 0.005 0.000 0.191 567 E C -0.023 176.597 176.600 0.032 0.000 1.083 567 E CA 0.311 56.731 56.400 0.034 0.000 0.872 567 E CB -0.272 29.418 29.700 -0.016 0.000 0.966 567 E HN 0.423 nan 8.360 nan 0.000 0.491 568 D N -0.077 120.325 120.400 0.003 0.000 2.535 568 D HA 0.045 4.688 4.640 0.005 0.000 0.229 568 D C -1.081 175.255 176.300 0.059 0.000 1.238 568 D CA -0.358 53.651 54.000 0.015 0.000 0.824 568 D CB -0.051 40.739 40.800 -0.017 0.000 1.045 568 D HN 0.091 nan 8.370 nan 0.000 0.500 569 Y N 1.848 122.071 120.300 -0.129 0.000 2.327 569 Y HA 0.355 4.908 4.550 0.005 0.000 0.336 569 Y C -0.244 175.640 175.900 -0.026 0.000 1.035 569 Y CA -1.422 56.556 58.100 -0.202 0.000 1.165 569 Y CB 0.856 38.946 38.460 -0.618 0.000 1.181 569 Y HN -0.251 nan 8.280 nan 0.000 0.494 570 V N 7.487 127.175 119.914 -0.377 0.000 2.275 570 V HA 0.345 4.468 4.120 0.005 0.000 0.272 570 V C -2.385 173.251 176.094 -0.763 0.000 1.028 570 V CA -1.908 60.140 62.300 -0.420 0.000 0.810 570 V CB 1.244 32.876 31.823 -0.318 0.000 1.043 570 V HN 0.619 nan 8.190 nan 0.000 0.453 571 P HA -0.143 nan 4.420 nan 0.000 0.217 571 P C 1.521 178.720 177.300 -0.167 0.000 1.150 571 P CA 1.630 64.414 63.100 -0.527 0.000 0.832 571 P CB -0.063 31.645 31.700 0.013 0.000 0.787 572 H N -0.816 118.193 119.070 -0.100 0.000 2.524 572 H HA 0.016 4.575 4.556 0.005 0.000 0.282 572 H C 1.641 176.948 175.328 -0.034 0.000 1.016 572 H CA 0.928 56.958 56.048 -0.030 0.000 1.270 572 H CB -0.333 29.418 29.762 -0.018 0.000 1.394 572 H HN 0.250 nan 8.280 nan 0.000 0.568 573 Q N 1.095 120.545 119.800 -0.582 0.000 2.402 573 Q HA 0.119 4.462 4.340 0.005 0.000 0.231 573 Q C -0.033 175.853 176.000 -0.191 0.000 0.888 573 Q CA 0.091 55.639 55.803 -0.425 0.000 0.938 573 Q CB 0.870 29.275 28.738 -0.554 0.000 1.086 573 Q HN 0.250 nan 8.270 nan 0.000 0.543 574 S N 2.750 118.354 115.700 -0.160 0.000 2.328 574 S HA 0.287 4.760 4.470 0.005 0.000 0.204 574 S C -2.320 172.309 174.600 0.050 0.000 1.475 574 S CA -1.005 57.183 58.200 -0.020 0.000 1.148 574 S CB 1.507 64.749 63.200 0.070 0.000 1.077 574 S HN 0.282 nan 8.310 nan 0.000 0.479 575 P HA 0.257 nan 4.420 nan 0.000 0.261 575 P C -0.291 177.063 177.300 0.091 0.000 1.268 575 P CA 0.199 63.351 63.100 0.086 0.000 0.833 575 P CB 0.259 32.002 31.700 0.071 0.000 1.231 576 D N -0.218 120.227 120.400 0.075 0.000 2.623 576 D HA 0.247 4.890 4.640 0.005 0.000 0.252 576 D C 0.009 176.351 176.300 0.070 0.000 1.294 576 D CA -0.188 53.852 54.000 0.066 0.000 0.824 576 D CB 1.064 41.892 40.800 0.046 0.000 1.070 576 D HN 0.052 nan 8.370 nan 0.000 0.487 577 A N 0.707 123.584 122.820 0.094 0.000 2.260 577 A HA 0.442 4.766 4.320 0.005 0.000 0.308 577 A C 0.423 178.060 177.584 0.089 0.000 1.254 577 A CA -0.248 51.844 52.037 0.092 0.000 0.874 577 A CB 0.608 19.691 19.000 0.138 0.000 1.153 577 A HN -0.086 nan 8.150 nan 0.000 0.527 578 T N 4.402 119.013 114.554 0.095 0.000 2.738 578 T HA 0.254 4.607 4.350 0.005 0.000 0.294 578 T C 0.715 175.456 174.700 0.069 0.000 0.914 578 T CA -0.195 61.956 62.100 0.086 0.000 1.052 578 T CB -0.336 68.593 68.868 0.101 0.000 0.897 578 T HN 0.752 nan 8.240 nan 0.000 0.522 579 R N 1.900 122.413 120.500 0.022 0.000 2.679 579 R HA 0.394 4.737 4.340 0.005 0.000 0.268 579 R C -0.842 175.460 176.300 0.003 0.000 1.044 579 R CA -0.554 55.541 56.100 -0.007 0.000 1.105 579 R CB 0.214 30.394 30.300 -0.199 0.000 0.989 579 R HN 0.244 nan 8.270 nan 0.000 0.447 580 V N 3.548 123.484 119.914 0.037 0.000 2.448 580 V HA 0.392 4.515 4.120 0.005 0.000 0.295 580 V C -0.732 175.377 176.094 0.025 0.000 1.025 580 V CA -0.568 61.772 62.300 0.066 0.000 0.859 580 V CB 1.078 32.938 31.823 0.063 0.000 0.988 580 V HN 0.552 nan 8.190 nan 0.000 0.431 581 F N 3.465 123.355 119.950 -0.099 0.000 2.497 581 F HA 0.823 5.353 4.527 0.005 0.000 0.331 581 F C 0.127 175.894 175.800 -0.055 0.000 1.060 581 F CA -0.778 57.170 58.000 -0.086 0.000 0.989 581 F CB 2.049 40.919 39.000 -0.217 0.000 1.245 581 F HN 0.165 nan 8.300 nan 0.000 0.486 582 V N 1.492 121.518 119.914 0.187 0.000 2.891 582 V HA 0.221 4.344 4.120 0.005 0.000 0.304 582 V C -0.625 175.431 176.094 -0.063 0.000 1.171 582 V CA -1.297 61.015 62.300 0.021 0.000 0.943 582 V CB 1.874 33.757 31.823 0.101 0.000 1.037 582 V HN 0.776 nan 8.190 nan 0.000 0.427 583 N N 3.164 121.672 118.700 -0.319 0.000 2.661 583 N HA -0.218 4.525 4.740 0.005 0.000 0.249 583 N C 0.956 176.415 175.510 -0.086 0.000 1.142 583 N CA 2.270 55.197 53.050 -0.205 0.000 0.727 583 N CB -0.856 37.638 38.487 0.012 0.000 1.099 583 N HN 1.779 nan 8.380 nan 0.000 0.558 584 G N -2.785 105.941 108.800 -0.122 0.000 2.171 584 G HA2 -0.192 3.771 3.960 0.005 0.000 0.238 584 G HA3 -0.192 3.771 3.960 0.005 0.000 0.238 584 G C -0.326 174.753 174.900 0.298 0.000 1.039 584 G CA 0.140 45.346 45.100 0.177 0.000 0.759 584 G HN 0.519 nan 8.290 nan 0.000 0.501 585 V N 0.169 120.184 119.914 0.168 0.000 2.638 585 V HA 0.637 4.760 4.120 0.005 0.000 0.306 585 V C -0.307 175.656 176.094 -0.218 0.000 1.052 585 V CA -1.170 61.063 62.300 -0.112 0.000 0.885 585 V CB 1.947 33.591 31.823 -0.299 0.000 0.999 585 V HN 0.352 nan 8.190 nan 0.000 0.424 586 W N 5.007 125.988 121.300 -0.532 0.000 2.433 586 W HA 0.389 5.052 4.660 0.005 0.000 0.331 586 W C 0.843 177.037 176.519 -0.542 0.000 1.110 586 W CA -0.533 56.383 57.345 -0.716 0.000 1.450 586 W CB 0.078 29.193 29.460 -0.576 0.000 1.348 586 W HN 0.698 nan 8.180 nan 0.000 0.415 587 H N 3.931 123.025 119.070 0.040 0.000 2.524 587 H HA 0.234 4.793 4.556 0.005 0.000 0.280 587 H C 1.342 176.586 175.328 -0.140 0.000 1.018 587 H CA 1.099 57.112 56.048 -0.058 0.000 1.165 587 H CB 0.108 29.851 29.762 -0.033 0.000 1.411 587 H HN 0.593 nan 8.280 nan 0.000 0.569 588 G N 0.119 108.799 108.800 -0.201 0.000 2.466 588 G HA2 -0.160 3.803 3.960 0.005 0.000 0.316 588 G HA3 -0.160 3.803 3.960 0.005 0.000 0.316 588 G C -0.831 173.985 174.900 -0.140 0.000 1.270 588 G CA -0.334 44.512 45.100 -0.424 0.000 0.982 588 G HN 0.152 nan 8.290 nan 0.000 0.506 589 V N -0.586 119.165 119.914 -0.272 0.000 3.284 589 V HA 0.944 5.068 4.120 0.005 0.000 0.309 589 V C 0.045 176.140 176.094 0.002 0.000 1.190 589 V CA 0.013 62.206 62.300 -0.177 0.000 1.038 589 V CB 1.968 33.484 31.823 -0.512 0.000 1.198 589 V HN 1.477 nan 8.190 nan 0.000 0.465 590 H N 0.189 119.218 119.070 -0.067 0.000 3.112 590 H HA 0.562 5.121 4.556 0.005 0.000 0.347 590 H C -1.003 174.327 175.328 0.003 0.000 1.188 590 H CA -0.666 55.368 56.048 -0.023 0.000 1.240 590 H CB 1.360 31.120 29.762 -0.003 0.000 1.920 590 H HN 0.619 nan 8.280 nan 0.000 0.535 591 R N 3.125 123.309 120.500 -0.527 0.000 2.474 591 R HA 0.322 4.665 4.340 0.005 0.000 0.295 591 R C -0.526 175.598 176.300 -0.294 0.000 0.980 591 R CA -0.956 54.980 56.100 -0.274 0.000 0.934 591 R CB 0.933 31.106 30.300 -0.212 0.000 1.101 591 R HN 0.848 nan 8.270 nan 0.000 0.469 592 N N 2.162 120.872 118.700 0.016 0.000 2.525 592 N HA -0.092 4.651 4.740 0.005 0.000 0.283 592 N C -2.107 173.617 175.510 0.356 0.000 1.259 592 N CA 0.068 53.200 53.050 0.136 0.000 0.689 592 N CB -0.033 38.505 38.487 0.085 0.000 0.899 592 N HN 0.513 nan 8.380 nan 0.000 0.541 593 P HA 0.118 nan 4.420 nan 0.000 0.255 593 P C 1.071 178.427 177.300 0.094 0.000 1.248 593 P CA 0.843 64.033 63.100 0.151 0.000 0.807 593 P CB 0.068 31.831 31.700 0.106 0.000 1.150 594 A N 1.013 123.898 122.820 0.107 0.000 1.908 594 A HA -0.154 4.169 4.320 0.005 0.000 0.218 594 A C 2.392 180.023 177.584 0.079 0.000 1.181 594 A CA 1.484 53.568 52.037 0.079 0.000 0.627 594 A CB -0.922 18.121 19.000 0.072 0.000 0.818 594 A HN 0.097 nan 8.150 nan 0.000 0.445 595 R N -1.728 118.837 120.500 0.108 0.000 2.206 595 R HA 0.186 4.529 4.340 0.005 0.000 0.198 595 R C 1.903 178.271 176.300 0.113 0.000 0.986 595 R CA 0.461 56.630 56.100 0.116 0.000 1.029 595 R CB -0.174 30.212 30.300 0.144 0.000 0.966 595 R HN 0.468 nan 8.270 nan 0.000 0.487 596 L N 0.334 121.617 121.223 0.100 0.000 2.191 596 L HA -0.083 4.260 4.340 0.005 0.000 0.212 596 L C 1.855 178.710 176.870 -0.024 0.000 1.103 596 L CA 1.631 56.476 54.840 0.008 0.000 0.769 596 L CB -0.111 41.810 42.059 -0.231 0.000 0.908 596 L HN 0.128 nan 8.230 nan 0.000 0.438 597 M N -0.215 119.383 119.600 -0.003 0.000 2.171 597 M HA -0.073 4.410 4.480 0.005 0.000 0.260 597 M C 2.177 178.480 176.300 0.006 0.000 1.087 597 M CA 1.868 57.167 55.300 -0.002 0.000 1.154 597 M CB -0.456 32.151 32.600 0.011 0.000 1.331 597 M HN 0.387 nan 8.290 nan 0.000 0.431 598 E N -0.833 119.380 120.200 0.023 0.000 2.164 598 E HA -0.239 4.115 4.350 0.005 0.000 0.206 598 E C 1.507 178.111 176.600 0.007 0.000 1.032 598 E CA 2.737 59.151 56.400 0.024 0.000 0.832 598 E CB -0.533 29.192 29.700 0.042 0.000 0.742 598 E HN 0.552 nan 8.360 nan 0.000 0.460 599 T N 0.710 115.265 114.554 0.002 0.000 2.770 599 T HA -0.009 4.344 4.350 0.005 0.000 0.258 599 T C 1.668 176.312 174.700 -0.092 0.000 1.039 599 T CA 0.884 62.956 62.100 -0.048 0.000 1.143 599 T CB -0.264 68.557 68.868 -0.079 0.000 0.866 599 T HN 0.107 nan 8.240 nan 0.000 0.428 600 L N 0.918 122.102 121.223 -0.066 0.000 2.151 600 L HA -0.197 4.146 4.340 0.005 0.000 0.215 600 L C 2.616 179.437 176.870 -0.082 0.000 1.084 600 L CA 1.837 56.631 54.840 -0.076 0.000 0.764 600 L CB -0.646 41.391 42.059 -0.036 0.000 0.891 600 L HN 0.267 nan 8.230 nan 0.000 0.435 601 R N -1.072 119.398 120.500 -0.049 0.000 2.055 601 R HA -0.103 4.240 4.340 0.005 0.000 0.228 601 R C 2.169 178.435 176.300 -0.056 0.000 1.143 601 R CA 1.848 57.928 56.100 -0.035 0.000 0.945 601 R CB -0.489 29.810 30.300 -0.002 0.000 0.841 601 R HN 0.243 nan 8.270 nan 0.000 0.429 602 T N 1.593 116.113 114.554 -0.056 0.000 2.802 602 T HA -0.155 4.198 4.350 0.005 0.000 0.269 602 T C 1.637 176.279 174.700 -0.097 0.000 1.062 602 T CA 1.185 63.249 62.100 -0.060 0.000 1.133 602 T CB -0.149 68.693 68.868 -0.044 0.000 0.852 602 T HN 0.152 nan 8.240 nan 0.000 0.485 603 L N 0.018 121.153 121.223 -0.147 0.000 2.179 603 L HA 0.077 4.420 4.340 0.005 0.000 0.208 603 L C 2.894 179.669 176.870 -0.158 0.000 1.096 603 L CA 0.860 55.586 54.840 -0.190 0.000 0.779 603 L CB -0.505 41.367 42.059 -0.312 0.000 0.922 603 L HN 0.101 nan 8.230 nan 0.000 0.443 604 R N 1.208 121.627 120.500 -0.135 0.000 2.062 604 R HA -0.086 4.257 4.340 0.005 0.000 0.229 604 R C 2.079 178.318 176.300 -0.101 0.000 1.128 604 R CA 1.181 57.209 56.100 -0.119 0.000 0.960 604 R CB -0.035 30.207 30.300 -0.097 0.000 0.855 604 R HN 0.250 nan 8.270 nan 0.000 0.432 605 R N 0.167 120.623 120.500 -0.074 0.000 2.346 605 R HA -0.043 4.300 4.340 0.005 0.000 0.199 605 R C 1.697 177.957 176.300 -0.068 0.000 1.015 605 R CA 0.679 56.743 56.100 -0.058 0.000 1.058 605 R CB 0.127 30.411 30.300 -0.027 0.000 0.921 605 R HN 0.145 nan 8.270 nan 0.000 0.475 606 K N -1.293 119.057 120.400 -0.082 0.000 2.399 606 K HA 0.073 4.396 4.320 0.005 0.000 0.196 606 K C 0.916 177.460 176.600 -0.093 0.000 1.117 606 K CA 0.811 57.051 56.287 -0.078 0.000 0.965 606 K CB 0.891 33.346 32.500 -0.076 0.000 0.983 606 K HN 0.162 nan 8.250 nan 0.000 0.531 607 G N 0.875 109.609 108.800 -0.112 0.000 2.201 607 G HA2 -0.230 3.733 3.960 0.005 0.000 0.212 607 G HA3 -0.230 3.733 3.960 0.005 0.000 0.212 607 G C 0.502 175.328 174.900 -0.124 0.000 0.994 607 G CA 0.357 45.384 45.100 -0.123 0.000 0.644 607 G HN 0.314 nan 8.290 nan 0.000 0.508 608 D N 0.119 120.442 120.400 -0.129 0.000 2.106 608 D HA -0.059 4.584 4.640 0.005 0.000 0.191 608 D C 1.107 177.307 176.300 -0.166 0.000 0.997 608 D CA 1.034 54.947 54.000 -0.144 0.000 0.834 608 D CB 0.083 40.783 40.800 -0.166 0.000 0.956 608 D HN 0.325 nan 8.370 nan 0.000 0.448 609 I N 1.868 122.324 120.570 -0.190 0.000 2.336 609 I HA 0.061 4.234 4.170 0.005 0.000 0.292 609 I C 0.566 176.589 176.117 -0.157 0.000 0.991 609 I CA -1.082 60.106 61.300 -0.186 0.000 1.227 609 I CB 0.541 38.405 38.000 -0.227 0.000 1.366 609 I HN -0.083 nan 8.210 nan 0.000 0.466 610 N N 8.674 127.287 118.700 -0.144 0.000 2.036 610 N HA -0.113 4.630 4.740 0.005 0.000 0.288 610 N C -1.703 173.694 175.510 -0.189 0.000 1.293 610 N CA -0.296 52.660 53.050 -0.156 0.000 0.808 610 N CB 0.917 39.319 38.487 -0.141 0.000 1.040 610 N HN 0.312 nan 8.380 nan 0.000 0.489 611 P HA -0.072 nan 4.420 nan 0.000 0.228 611 P C 0.970 178.033 177.300 -0.394 0.000 1.151 611 P CA 0.746 63.663 63.100 -0.305 0.000 0.770 611 P CB 0.309 31.772 31.700 -0.396 0.000 0.786 612 E N -0.040 119.931 120.200 -0.382 0.000 2.072 612 E HA -0.049 4.304 4.350 0.005 0.000 0.190 612 E C 0.237 176.659 176.600 -0.297 0.000 0.982 612 E CA 0.480 56.631 56.400 -0.416 0.000 0.803 612 E CB -0.086 29.438 29.700 -0.292 0.000 0.755 612 E HN -0.042 nan 8.360 nan 0.000 0.453 613 V N 2.438 122.245 119.914 -0.180 0.000 2.529 613 V HA -0.058 4.065 4.120 0.005 0.000 0.292 613 V C 0.325 176.383 176.094 -0.061 0.000 1.028 613 V CA 0.333 62.578 62.300 -0.092 0.000 1.074 613 V CB 0.941 32.724 31.823 -0.067 0.000 0.958 613 V HN 0.244 nan 8.190 nan 0.000 0.481 614 S N 7.586 123.284 115.700 -0.004 0.000 2.508 614 S HA 0.742 5.216 4.470 0.005 0.000 0.284 614 S C -0.686 173.960 174.600 0.076 0.000 1.192 614 S CA -0.824 57.394 58.200 0.030 0.000 1.070 614 S CB 1.012 64.238 63.200 0.043 0.000 1.004 614 S HN 0.606 nan 8.310 nan 0.000 0.493 615 M N 4.104 123.739 119.600 0.057 0.000 2.053 615 M HA 0.418 4.901 4.480 0.005 0.000 0.297 615 M C -1.527 174.811 176.300 0.063 0.000 0.921 615 M CA -0.358 54.975 55.300 0.055 0.000 0.918 615 M CB 1.370 33.983 32.600 0.021 0.000 1.499 615 M HN 0.504 nan 8.290 nan 0.000 0.422 616 I N 2.880 123.497 120.570 0.077 0.000 2.313 616 I HA 0.326 4.499 4.170 0.005 0.000 0.286 616 I C 0.193 176.335 176.117 0.042 0.000 1.091 616 I CA -0.362 60.979 61.300 0.068 0.000 1.216 616 I CB 0.357 38.407 38.000 0.083 0.000 1.434 616 I HN 0.537 nan 8.210 nan 0.000 0.487 617 R N 4.109 124.632 120.500 0.038 0.000 2.347 617 R HA 0.180 4.523 4.340 0.005 0.000 0.304 617 R C -0.181 176.135 176.300 0.027 0.000 1.072 617 R CA 0.299 56.416 56.100 0.029 0.000 0.980 617 R CB 0.418 30.735 30.300 0.030 0.000 0.986 617 R HN 0.466 nan 8.270 nan 0.000 0.448 618 D N 6.805 127.216 120.400 0.019 0.000 2.863 618 D HA 0.100 4.743 4.640 0.005 0.000 0.323 618 D C 1.174 177.486 176.300 0.021 0.000 1.286 618 D CA -0.227 53.782 54.000 0.016 0.000 0.921 618 D CB 0.313 41.114 40.800 0.001 0.000 1.024 618 D HN 0.522 nan 8.370 nan 0.000 0.505 619 I N 0.829 121.414 120.570 0.025 0.000 2.500 619 I HA -0.428 3.745 4.170 0.005 0.000 0.236 619 I C 1.960 178.095 176.117 0.030 0.000 0.933 619 I CA 1.851 63.168 61.300 0.029 0.000 1.250 619 I CB -0.786 37.228 38.000 0.024 0.000 0.957 619 I HN 0.351 nan 8.210 nan 0.000 0.405 620 R N -0.251 120.264 120.500 0.025 0.000 2.276 620 R HA -0.037 4.306 4.340 0.005 0.000 0.196 620 R C 1.508 177.825 176.300 0.029 0.000 0.961 620 R CA 0.435 56.550 56.100 0.025 0.000 1.024 620 R CB -0.046 30.265 30.300 0.018 0.000 0.940 620 R HN 0.284 nan 8.270 nan 0.000 0.480 621 E N 0.843 121.059 120.200 0.028 0.000 2.538 621 E HA 0.094 4.447 4.350 0.005 0.000 0.207 621 E C -0.691 175.937 176.600 0.048 0.000 1.002 621 E CA -0.079 56.341 56.400 0.034 0.000 0.952 621 E CB 0.220 29.931 29.700 0.018 0.000 1.031 621 E HN -0.017 nan 8.360 nan 0.000 0.476 622 K N 1.240 121.668 120.400 0.047 0.000 3.257 622 K HA -0.227 4.096 4.320 0.005 0.000 0.270 622 K C -0.605 176.023 176.600 0.046 0.000 0.984 622 K CA 0.903 57.222 56.287 0.055 0.000 0.739 622 K CB -1.197 31.346 32.500 0.072 0.000 1.351 622 K HN 0.312 nan 8.250 nan 0.000 0.463 623 E N 0.066 120.283 120.200 0.029 0.000 2.393 623 E HA 0.668 5.021 4.350 0.005 0.000 0.265 623 E C -1.099 175.512 176.600 0.018 0.000 0.941 623 E CA -1.285 55.124 56.400 0.015 0.000 0.801 623 E CB 1.766 31.443 29.700 -0.039 0.000 1.313 623 E HN 0.077 nan 8.360 nan 0.000 0.435 624 L N 1.113 122.354 121.223 0.030 0.000 2.753 624 L HA 0.281 4.624 4.340 0.005 0.000 0.259 624 L C -1.886 175.012 176.870 0.047 0.000 0.958 624 L CA -0.406 54.450 54.840 0.027 0.000 0.955 624 L CB 1.126 43.196 42.059 0.019 0.000 1.317 624 L HN 0.403 nan 8.230 nan 0.000 0.436 625 K N 6.052 126.454 120.400 0.003 0.000 2.235 625 K HA 0.702 5.025 4.320 0.005 0.000 0.266 625 K C -0.990 175.606 176.600 -0.006 0.000 0.980 625 K CA -0.716 55.551 56.287 -0.033 0.000 0.849 625 K CB 2.226 34.667 32.500 -0.099 0.000 1.098 625 K HN 0.488 nan 8.250 nan 0.000 0.445 626 I N 3.055 123.591 120.570 -0.057 0.000 2.339 626 I HA 0.306 4.479 4.170 0.005 0.000 0.290 626 I C -0.522 175.536 176.117 -0.099 0.000 0.994 626 I CA -0.447 60.839 61.300 -0.025 0.000 1.191 626 I CB 0.489 38.477 38.000 -0.021 0.000 1.343 626 I HN 0.433 nan 8.210 nan 0.000 0.458 627 F N 3.553 123.509 119.950 0.010 0.000 2.458 627 F HA 0.480 5.010 4.527 0.005 0.000 0.330 627 F C 0.932 176.729 175.800 -0.005 0.000 1.082 627 F CA -0.064 57.942 58.000 0.011 0.000 0.995 627 F CB 2.007 41.008 39.000 0.001 0.000 1.170 627 F HN 0.406 nan 8.300 nan 0.000 0.478 628 T N 0.016 114.711 114.554 0.236 0.000 3.328 628 T HA 0.045 4.398 4.350 0.005 0.000 0.305 628 T C -0.379 174.399 174.700 0.130 0.000 0.939 628 T CA -0.401 61.771 62.100 0.120 0.000 0.950 628 T CB -0.291 68.607 68.868 0.051 0.000 1.182 628 T HN 0.385 nan 8.240 nan 0.000 0.545 629 D N 2.061 122.587 120.400 0.209 0.000 2.354 629 D HA 0.352 4.995 4.640 0.005 0.000 0.238 629 D C 0.628 176.981 176.300 0.089 0.000 1.250 629 D CA -0.097 53.994 54.000 0.153 0.000 0.911 629 D CB 0.675 41.578 40.800 0.171 0.000 1.163 629 D HN 0.268 nan 8.370 nan 0.000 0.456 630 A N 0.742 123.605 122.820 0.071 0.000 3.258 630 A HA 0.544 4.867 4.320 0.005 0.000 0.275 630 A C 0.663 178.279 177.584 0.053 0.000 1.452 630 A CA 0.344 52.418 52.037 0.062 0.000 1.120 630 A CB -0.610 18.427 19.000 0.062 0.000 1.107 630 A HN 0.550 nan 8.150 nan 0.000 0.651 631 G N 0.017 108.848 108.800 0.051 0.000 3.977 631 G HA2 0.057 4.020 3.960 0.005 0.000 0.224 631 G HA3 0.057 4.020 3.960 0.005 0.000 0.224 631 G C -0.090 174.809 174.900 -0.001 0.000 0.978 631 G CA -0.910 44.207 45.100 0.029 0.000 1.222 631 G HN 0.441 nan 8.290 nan 0.000 0.696 632 R N 0.310 120.836 120.500 0.044 0.000 2.491 632 R HA 0.499 4.842 4.340 0.005 0.000 0.283 632 R C 0.486 176.877 176.300 0.152 0.000 1.072 632 R CA -0.185 55.941 56.100 0.043 0.000 1.048 632 R CB 1.439 31.783 30.300 0.072 0.000 0.983 632 R HN 0.070 nan 8.270 nan 0.000 0.450 633 V N 4.221 124.174 119.914 0.064 0.000 2.785 633 V HA 0.399 4.522 4.120 0.005 0.000 0.300 633 V C -0.478 175.732 176.094 0.193 0.000 1.062 633 V CA -0.164 62.171 62.300 0.059 0.000 1.029 633 V CB 0.767 32.661 31.823 0.119 0.000 1.024 633 V HN 0.812 nan 8.190 nan 0.000 0.477 634 Y N 1.437 121.777 120.300 0.067 0.000 2.741 634 Y HA 0.812 5.365 4.550 0.005 0.000 0.339 634 Y C -0.886 174.985 175.900 -0.049 0.000 1.226 634 Y CA -1.781 56.342 58.100 0.038 0.000 1.072 634 Y CB 1.427 39.934 38.460 0.079 0.000 1.331 634 Y HN 0.651 nan 8.280 nan 0.000 0.453 635 R N 0.808 121.353 120.500 0.075 0.000 2.522 635 R HA 0.520 4.863 4.340 0.005 0.000 0.273 635 R C -3.299 172.867 176.300 -0.223 0.000 1.133 635 R CA -1.397 54.598 56.100 -0.174 0.000 0.969 635 R CB 1.958 32.127 30.300 -0.219 0.000 1.235 635 R HN 0.598 nan 8.270 nan 0.000 0.433 636 P HA -0.344 nan 4.420 nan 0.000 0.290 636 P C 0.325 177.499 177.300 -0.210 0.000 1.746 636 P CA 1.557 64.444 63.100 -0.355 0.000 1.606 636 P CB -0.046 31.423 31.700 -0.384 0.000 0.470 637 L N -4.390 116.699 121.223 -0.223 0.000 2.801 637 L HA 0.481 4.824 4.340 0.005 0.000 0.221 637 L C 1.294 178.024 176.870 -0.234 0.000 1.895 637 L CA -0.246 54.401 54.840 -0.321 0.000 2.760 637 L CB -1.289 40.565 42.059 -0.341 0.000 2.629 637 L HN 0.097 nan 8.230 nan 0.000 0.670 638 F N 0.294 120.237 119.950 -0.010 0.000 2.112 638 F HA 0.553 5.083 4.527 0.005 0.000 0.268 638 F C 0.522 176.375 175.800 0.088 0.000 1.100 638 F CA -0.348 57.657 58.000 0.008 0.000 1.170 638 F CB 0.483 39.489 39.000 0.009 0.000 1.714 638 F HN 0.185 nan 8.300 nan 0.000 0.525 639 I N -1.025 119.744 120.570 0.331 0.000 2.918 639 I HA 0.301 4.474 4.170 0.005 0.000 0.301 639 I C -1.006 175.192 176.117 0.134 0.000 1.312 639 I CA -0.847 60.602 61.300 0.248 0.000 1.007 639 I CB 2.247 40.359 38.000 0.186 0.000 1.281 639 I HN 0.122 nan 8.210 nan 0.000 0.440 640 V N 1.417 121.381 119.914 0.082 0.000 3.047 640 V HA 0.191 4.314 4.120 0.005 0.000 0.374 640 V C 0.132 176.254 176.094 0.048 0.000 1.399 640 V CA -0.331 62.004 62.300 0.059 0.000 1.251 640 V CB 0.286 32.148 31.823 0.064 0.000 1.228 640 V HN 0.823 nan 8.190 nan 0.000 0.589 641 E N 2.313 122.535 120.200 0.035 0.000 2.459 641 E HA -0.039 4.314 4.350 0.005 0.000 0.264 641 E C 0.766 177.391 176.600 0.043 0.000 1.055 641 E CA 0.474 56.892 56.400 0.029 0.000 0.957 641 E CB 0.610 30.324 29.700 0.024 0.000 0.952 641 E HN 0.586 nan 8.360 nan 0.000 0.448 642 D N 2.024 122.448 120.400 0.040 0.000 2.396 642 D HA -0.094 4.549 4.640 0.005 0.000 0.255 642 D C -0.697 175.619 176.300 0.027 0.000 1.224 642 D CA 0.116 54.144 54.000 0.046 0.000 0.894 642 D CB -0.290 40.534 40.800 0.041 0.000 0.939 642 D HN 0.238 nan 8.370 nan 0.000 0.506 643 D N 1.584 121.998 120.400 0.024 0.000 2.662 643 D HA 0.056 4.700 4.640 0.005 0.000 0.228 643 D C -0.040 176.257 176.300 -0.006 0.000 1.093 643 D CA 0.388 54.396 54.000 0.012 0.000 1.075 643 D CB -0.009 40.803 40.800 0.019 0.000 1.122 643 D HN 0.278 nan 8.370 nan 0.000 0.475 644 E N 0.160 120.344 120.200 -0.028 0.000 2.241 644 E HA 0.122 4.475 4.350 0.005 0.000 0.263 644 E C 0.437 176.997 176.600 -0.066 0.000 0.882 644 E CA -0.418 55.941 56.400 -0.068 0.000 0.769 644 E CB 2.425 32.034 29.700 -0.151 0.000 1.185 644 E HN -0.058 nan 8.360 nan 0.000 0.415 645 S N 2.375 118.043 115.700 -0.055 0.000 2.344 645 S HA 0.004 4.477 4.470 0.005 0.000 0.217 645 S C 0.918 175.485 174.600 -0.055 0.000 1.033 645 S CA 0.989 59.164 58.200 -0.042 0.000 1.017 645 S CB 0.133 63.315 63.200 -0.031 0.000 0.941 645 S HN 0.393 nan 8.310 nan 0.000 0.430 646 L N 1.417 122.597 121.223 -0.072 0.000 2.321 646 L HA 0.580 4.923 4.340 0.005 0.000 0.272 646 L C 0.077 176.854 176.870 -0.155 0.000 1.050 646 L CA -0.159 54.633 54.840 -0.079 0.000 0.893 646 L CB 0.905 42.933 42.059 -0.052 0.000 1.272 646 L HN 0.409 nan 8.230 nan 0.000 0.435 647 G N 3.045 111.733 108.800 -0.187 0.000 3.353 647 G HA2 -0.000 3.963 3.960 0.005 0.000 0.682 647 G HA3 -0.000 3.963 3.960 0.005 0.000 0.682 647 G C -0.093 174.403 174.900 -0.675 0.000 1.192 647 G CA -0.362 44.527 45.100 -0.351 0.000 1.111 647 G HN 1.125 nan 8.290 nan 0.000 0.493 648 H N -0.945 118.134 119.070 0.014 0.000 1.452 648 H HA -0.192 4.367 4.556 0.005 0.000 0.090 648 H C -0.159 175.184 175.328 0.026 0.000 2.582 648 H CA 0.845 56.904 56.048 0.020 0.000 1.901 648 H CB -0.530 29.246 29.762 0.022 0.000 2.257 648 H HN 0.840 nan 8.280 nan 0.000 0.961 649 K N 1.244 121.855 120.400 0.351 0.000 2.206 649 K HA 0.417 4.740 4.320 0.005 0.000 0.264 649 K C -0.434 176.364 176.600 0.330 0.000 0.967 649 K CA -0.249 56.178 56.287 0.234 0.000 0.844 649 K CB 1.536 34.137 32.500 0.169 0.000 1.099 649 K HN 0.492 nan 8.250 nan 0.000 0.441 650 E N 2.784 123.105 120.200 0.202 0.000 2.429 650 E HA 0.330 4.683 4.350 0.005 0.000 0.276 650 E C -1.337 175.313 176.600 0.083 0.000 0.953 650 E CA -0.735 55.765 56.400 0.167 0.000 0.787 650 E CB 1.012 30.819 29.700 0.177 0.000 1.307 650 E HN 0.408 nan 8.360 nan 0.000 0.458 651 L N 2.805 124.056 121.223 0.046 0.000 2.483 651 L HA 0.125 4.468 4.340 0.005 0.000 0.276 651 L C 1.586 178.467 176.870 0.019 0.000 1.213 651 L CA 0.344 55.188 54.840 0.007 0.000 0.843 651 L CB 0.375 42.403 42.059 -0.052 0.000 1.107 651 L HN 0.650 nan 8.230 nan 0.000 0.487 652 K N 1.675 122.088 120.400 0.020 0.000 1.967 652 K HA -0.014 4.309 4.320 0.005 0.000 0.212 652 K C 0.167 176.804 176.600 0.062 0.000 1.044 652 K CA 0.685 56.996 56.287 0.040 0.000 0.942 652 K CB -0.006 32.516 32.500 0.037 0.000 0.726 652 K HN 0.375 nan 8.250 nan 0.000 0.440 653 V N 3.788 123.710 119.914 0.013 0.000 2.681 653 V HA -0.122 4.001 4.120 0.005 0.000 0.306 653 V C 0.609 176.770 176.094 0.112 0.000 1.077 653 V CA 0.543 62.899 62.300 0.093 0.000 1.224 653 V CB -0.125 31.615 31.823 -0.139 0.000 0.879 653 V HN 0.304 nan 8.190 nan 0.000 0.494 654 R N 3.483 124.117 120.500 0.224 0.000 2.943 654 R HA 0.413 4.756 4.340 0.005 0.000 0.246 654 R C 1.224 177.520 176.300 -0.008 0.000 1.201 654 R CA -1.102 55.012 56.100 0.024 0.000 1.056 654 R CB 0.454 30.718 30.300 -0.059 0.000 1.243 654 R HN 0.564 nan 8.270 nan 0.000 0.498 655 K N 0.757 121.139 120.400 -0.030 0.000 2.160 655 K HA -0.141 4.182 4.320 0.005 0.000 0.206 655 K C 1.707 178.281 176.600 -0.043 0.000 1.047 655 K CA 1.954 58.229 56.287 -0.019 0.000 0.930 655 K CB -0.470 32.020 32.500 -0.017 0.000 0.720 655 K HN 0.727 nan 8.250 nan 0.000 0.450 656 G N 0.952 109.678 108.800 -0.124 0.000 2.545 656 G HA2 -0.281 3.682 3.960 0.005 0.000 0.217 656 G HA3 -0.281 3.682 3.960 0.005 0.000 0.217 656 G C 1.245 176.044 174.900 -0.168 0.000 1.218 656 G CA 1.054 46.036 45.100 -0.196 0.000 0.787 656 G HN 0.406 nan 8.290 nan 0.000 0.571 657 H N -0.063 118.987 119.070 -0.033 0.000 2.422 657 H HA -0.055 4.504 4.556 0.005 0.000 0.298 657 H C 2.602 177.978 175.328 0.080 0.000 1.098 657 H CA 1.211 57.259 56.048 -0.001 0.000 1.315 657 H CB -0.309 29.517 29.762 0.107 0.000 1.382 657 H HN 0.331 nan 8.280 nan 0.000 0.523 658 I N 0.991 121.663 120.570 0.170 0.000 2.163 658 I HA -0.249 3.924 4.170 0.005 0.000 0.243 658 I C 2.580 178.777 176.117 0.133 0.000 1.085 658 I CA 1.339 62.731 61.300 0.154 0.000 1.347 658 I CB -0.340 37.722 38.000 0.103 0.000 1.044 658 I HN 0.193 nan 8.210 nan 0.000 0.408 659 A N -0.025 122.837 122.820 0.070 0.000 1.898 659 A HA -0.240 4.083 4.320 0.005 0.000 0.216 659 A C 2.269 179.895 177.584 0.069 0.000 1.181 659 A CA 1.842 53.913 52.037 0.056 0.000 0.620 659 A CB -0.619 18.388 19.000 0.013 0.000 0.819 659 A HN 0.442 nan 8.150 nan 0.000 0.442 660 K N -0.349 120.059 120.400 0.014 0.000 2.211 660 K HA -0.031 4.292 4.320 0.005 0.000 0.204 660 K C 1.583 178.291 176.600 0.180 0.000 1.047 660 K CA 1.169 57.447 56.287 -0.014 0.000 0.935 660 K CB -0.316 31.964 32.500 -0.366 0.000 0.728 660 K HN 0.448 nan 8.250 nan 0.000 0.452 661 L N 0.108 121.493 121.223 0.270 0.000 2.418 661 L HA 0.040 4.383 4.340 0.005 0.000 0.218 661 L C 1.801 178.811 176.870 0.234 0.000 1.125 661 L CA 0.546 55.581 54.840 0.323 0.000 0.835 661 L CB 0.065 42.326 42.059 0.336 0.000 0.953 661 L HN 0.222 nan 8.230 nan 0.000 0.454 662 M N -1.359 118.357 119.600 0.194 0.000 2.419 662 M HA 0.148 4.632 4.480 0.005 0.000 0.252 662 M C 1.605 178.031 176.300 0.209 0.000 1.143 662 M CA -0.029 55.380 55.300 0.182 0.000 0.985 662 M CB 0.351 33.039 32.600 0.147 0.000 1.489 662 M HN 0.150 nan 8.290 nan 0.000 0.484 663 A N -0.025 122.917 122.820 0.203 0.000 2.095 663 A HA 0.041 4.364 4.320 0.005 0.000 0.212 663 A C 1.924 179.604 177.584 0.160 0.000 1.162 663 A CA 0.923 53.094 52.037 0.223 0.000 0.753 663 A CB -0.330 18.768 19.000 0.163 0.000 0.840 663 A HN 0.368 nan 8.150 nan 0.000 0.468 664 T N -0.629 114.020 114.554 0.158 0.000 3.065 664 T HA 0.066 4.419 4.350 0.005 0.000 0.252 664 T C 1.476 176.245 174.700 0.116 0.000 1.099 664 T CA 0.895 63.068 62.100 0.121 0.000 1.063 664 T CB 0.220 69.173 68.868 0.142 0.000 0.948 664 T HN 0.565 nan 8.240 nan 0.000 0.506 665 E N 0.617 120.909 120.200 0.154 0.000 2.024 665 E HA -0.031 4.322 4.350 0.005 0.000 0.190 665 E C 1.870 178.567 176.600 0.162 0.000 0.974 665 E CA 0.601 57.093 56.400 0.154 0.000 0.810 665 E CB -0.255 29.550 29.700 0.174 0.000 0.775 665 E HN 0.477 nan 8.360 nan 0.000 0.453 666 Y N 1.962 122.302 120.300 0.066 0.000 2.132 666 Y HA -0.248 4.305 4.550 0.005 0.000 0.280 666 Y C 1.086 177.013 175.900 0.044 0.000 1.193 666 Y CA 1.541 59.672 58.100 0.051 0.000 1.157 666 Y CB -0.180 38.309 38.460 0.048 0.000 0.966 666 Y HN -0.063 nan 8.280 nan 0.000 0.511 667 Q N 1.963 121.625 119.800 -0.231 0.000 2.569 667 Q HA 0.277 4.620 4.340 0.005 0.000 0.226 667 Q C -1.546 174.409 176.000 -0.075 0.000 1.136 667 Q CA -0.215 55.438 55.803 -0.249 0.000 0.947 667 Q CB 0.188 28.729 28.738 -0.328 0.000 1.218 667 Q HN 0.533 nan 8.270 nan 0.000 0.547 679 Y N 4.109 124.448 120.300 0.066 0.000 2.595 679 Y HA 0.427 4.980 4.550 0.005 0.000 0.347 679 Y C 0.151 176.107 175.900 0.095 0.000 1.025 679 Y CA 0.365 58.510 58.100 0.075 0.000 1.295 679 Y CB 0.801 39.312 38.460 0.085 0.000 1.147 679 Y HN 0.288 nan 8.280 nan 0.000 0.515 680 T N 2.121 116.591 114.554 -0.139 0.000 2.876 680 T HA 0.047 4.400 4.350 0.005 0.000 0.277 680 T C 1.007 175.668 174.700 -0.065 0.000 0.997 680 T CA -0.631 61.451 62.100 -0.029 0.000 0.966 680 T CB 0.444 69.327 68.868 0.026 0.000 1.312 680 T HN 0.807 nan 8.240 nan 0.000 0.598 681 W N 0.410 121.655 121.300 -0.090 0.000 2.358 681 W HA -0.132 4.531 4.660 0.005 0.000 0.303 681 W C 2.119 178.598 176.519 -0.067 0.000 1.208 681 W CA 1.684 59.000 57.345 -0.048 0.000 1.274 681 W CB -0.743 28.727 29.460 0.016 0.000 1.138 681 W HN 0.654 nan 8.180 nan 0.000 0.515 682 S N 0.527 116.248 115.700 0.035 0.000 2.382 682 S HA -0.218 4.255 4.470 0.005 0.000 0.228 682 S C 2.070 176.546 174.600 -0.205 0.000 1.027 682 S CA 2.027 60.176 58.200 -0.084 0.000 0.991 682 S CB -0.476 62.727 63.200 0.004 0.000 0.823 682 S HN 0.463 nan 8.310 nan 0.000 0.469 683 S N 1.047 116.592 115.700 -0.257 0.000 2.423 683 S HA 0.041 4.514 4.470 0.005 0.000 0.231 683 S C 1.738 176.053 174.600 -0.476 0.000 1.014 683 S CA 0.661 58.644 58.200 -0.361 0.000 0.965 683 S CB -0.471 62.443 63.200 -0.476 0.000 0.785 683 S HN 0.420 nan 8.310 nan 0.000 0.495 684 L N -0.058 120.843 121.223 -0.537 0.000 2.072 684 L HA 0.099 4.442 4.340 0.005 0.000 0.205 684 L C 2.517 179.166 176.870 -0.367 0.000 1.079 684 L CA 0.705 55.286 54.840 -0.432 0.000 0.752 684 L CB -0.420 41.369 42.059 -0.450 0.000 0.906 684 L HN 0.300 nan 8.230 nan 0.000 0.436 685 L N -0.238 120.724 121.223 -0.435 0.000 2.141 685 L HA -0.126 4.217 4.340 0.005 0.000 0.209 685 L C 2.095 178.836 176.870 -0.215 0.000 1.094 685 L CA 1.667 56.296 54.840 -0.352 0.000 0.763 685 L CB -0.643 41.198 42.059 -0.363 0.000 0.908 685 L HN 0.304 nan 8.230 nan 0.000 0.437 686 N N -0.946 117.643 118.700 -0.185 0.000 2.402 686 N HA -0.075 4.668 4.740 0.005 0.000 0.174 686 N C 1.477 176.931 175.510 -0.094 0.000 1.027 686 N CA 0.571 53.546 53.050 -0.125 0.000 0.891 686 N CB 0.097 38.523 38.487 -0.102 0.000 1.016 686 N HN 0.465 nan 8.380 nan 0.000 0.439 687 E N 0.576 120.717 120.200 -0.098 0.000 2.418 687 E HA 0.025 4.378 4.350 0.005 0.000 0.197 687 E C 0.083 176.638 176.600 -0.074 0.000 1.026 687 E CA 0.056 56.421 56.400 -0.059 0.000 0.862 687 E CB 0.019 29.701 29.700 -0.029 0.000 0.799 687 E HN 0.347 nan 8.360 nan 0.000 0.518 688 G N 1.129 109.867 108.800 -0.103 0.000 2.531 688 G HA2 -0.230 3.734 3.960 0.005 0.000 0.283 688 G HA3 -0.230 3.734 3.960 0.005 0.000 0.283 688 G C 0.236 175.096 174.900 -0.067 0.000 1.068 688 G CA 0.022 45.076 45.100 -0.077 0.000 1.273 688 G HN 0.255 nan 8.290 nan 0.000 0.532 689 L N -1.045 120.120 121.223 -0.095 0.000 2.993 689 L HA 0.334 4.677 4.340 0.005 0.000 0.264 689 L C 0.744 177.651 176.870 0.062 0.000 1.154 689 L CA 0.014 54.820 54.840 -0.056 0.000 0.972 689 L CB 0.674 42.635 42.059 -0.164 0.000 1.373 689 L HN 0.288 nan 8.230 nan 0.000 0.564 690 V N -0.710 119.181 119.914 -0.038 0.000 3.141 690 V HA 0.493 4.616 4.120 0.005 0.000 0.312 690 V C -0.964 175.116 176.094 -0.023 0.000 1.157 690 V CA -0.639 61.626 62.300 -0.058 0.000 1.041 690 V CB 2.911 34.512 31.823 -0.371 0.000 1.071 690 V HN 0.029 nan 8.190 nan 0.000 0.441 691 E N 0.537 120.746 120.200 0.015 0.000 2.349 691 E HA 0.313 4.666 4.350 0.005 0.000 0.290 691 E C -1.798 174.893 176.600 0.153 0.000 0.901 691 E CA -0.476 55.976 56.400 0.087 0.000 0.800 691 E CB 1.891 31.612 29.700 0.035 0.000 1.303 691 E HN 0.681 nan 8.360 nan 0.000 0.397 692 Y N 3.302 123.563 120.300 -0.064 0.000 2.721 692 Y HA 0.052 4.605 4.550 0.005 0.000 0.329 692 Y C 0.728 176.576 175.900 -0.087 0.000 1.211 692 Y CA -0.193 57.879 58.100 -0.047 0.000 1.512 692 Y CB 0.464 38.840 38.460 -0.141 0.000 1.249 692 Y HN 0.243 nan 8.280 nan 0.000 0.549 693 I N 4.587 125.203 120.570 0.077 0.000 2.499 693 I HA 0.149 4.322 4.170 0.005 0.000 0.288 693 I C -0.451 175.736 176.117 0.116 0.000 1.048 693 I CA -0.758 60.556 61.300 0.022 0.000 1.062 693 I CB 1.792 39.740 38.000 -0.088 0.000 1.238 693 I HN 0.695 nan 8.210 nan 0.000 0.426 694 D N 5.001 125.470 120.400 0.115 0.000 2.384 694 D HA 0.455 5.098 4.640 0.005 0.000 0.250 694 D C 0.659 177.040 176.300 0.135 0.000 1.029 694 D CA -0.452 53.647 54.000 0.166 0.000 0.990 694 D CB 2.483 43.369 40.800 0.145 0.000 1.175 694 D HN 0.462 nan 8.370 nan 0.000 0.532 695 A N 0.802 123.724 122.820 0.170 0.000 1.865 695 A HA -0.258 4.065 4.320 0.005 0.000 0.217 695 A C 1.993 179.707 177.584 0.216 0.000 1.191 695 A CA 2.284 54.447 52.037 0.211 0.000 0.623 695 A CB -0.974 18.202 19.000 0.292 0.000 0.826 695 A HN 0.752 nan 8.150 nan 0.000 0.444 696 E N 0.171 120.453 120.200 0.137 0.000 2.068 696 E HA -0.285 4.068 4.350 0.005 0.000 0.207 696 E C 1.948 178.581 176.600 0.055 0.000 1.032 696 E CA 2.240 58.655 56.400 0.026 0.000 0.839 696 E CB -0.443 29.171 29.700 -0.143 0.000 0.758 696 E HN 0.726 nan 8.360 nan 0.000 0.457 697 E N 0.092 120.328 120.200 0.059 0.000 2.118 697 E HA -0.266 4.087 4.350 0.005 0.000 0.195 697 E C 2.098 178.749 176.600 0.085 0.000 0.992 697 E CA 1.491 57.935 56.400 0.072 0.000 0.804 697 E CB -0.258 29.481 29.700 0.065 0.000 0.741 697 E HN 0.437 nan 8.360 nan 0.000 0.458 698 E N 0.189 120.446 120.200 0.096 0.000 2.147 698 E HA -0.269 4.084 4.350 0.005 0.000 0.199 698 E C 1.862 178.519 176.600 0.095 0.000 1.005 698 E CA 1.378 57.835 56.400 0.096 0.000 0.810 698 E CB 0.016 29.780 29.700 0.107 0.000 0.736 698 E HN 0.321 nan 8.360 nan 0.000 0.460 699 E N -0.181 120.081 120.200 0.104 0.000 2.187 699 E HA -0.201 4.152 4.350 0.005 0.000 0.199 699 E C 1.888 178.528 176.600 0.066 0.000 1.004 699 E CA 1.541 57.995 56.400 0.089 0.000 0.813 699 E CB -0.167 29.588 29.700 0.092 0.000 0.736 699 E HN 0.283 nan 8.360 nan 0.000 0.468 700 S N -0.268 115.477 115.700 0.074 0.000 2.568 700 S HA 0.160 4.633 4.470 0.005 0.000 0.232 700 S C 0.921 175.569 174.600 0.080 0.000 0.975 700 S CA -0.620 57.620 58.200 0.065 0.000 0.949 700 S CB -0.413 62.825 63.200 0.063 0.000 0.829 700 S HN 0.279 nan 8.310 nan 0.000 0.479 701 I N -1.811 118.825 120.570 0.110 0.000 3.217 701 I HA 0.789 4.962 4.170 0.005 0.000 0.308 701 I C -1.170 175.013 176.117 0.109 0.000 1.091 701 I CA -1.695 59.699 61.300 0.157 0.000 1.013 701 I CB 1.878 40.091 38.000 0.355 0.000 1.250 701 I HN 0.115 nan 8.210 nan 0.000 0.496 702 L N 3.303 124.606 121.223 0.134 0.000 2.514 702 L HA 0.529 4.872 4.340 0.005 0.000 0.257 702 L C -1.069 175.979 176.870 0.297 0.000 1.101 702 L CA -0.064 54.852 54.840 0.126 0.000 0.911 702 L CB 0.691 42.755 42.059 0.009 0.000 1.162 702 L HN 0.523 nan 8.230 nan 0.000 0.477 703 I N 3.476 124.188 120.570 0.235 0.000 2.556 703 I HA 0.425 4.598 4.170 0.005 0.000 0.284 703 I C 0.963 177.198 176.117 0.197 0.000 1.114 703 I CA 0.302 61.731 61.300 0.214 0.000 1.418 703 I CB 1.140 39.204 38.000 0.107 0.000 1.394 703 I HN 0.712 nan 8.210 nan 0.000 0.552 704 A N 5.845 128.608 122.820 -0.097 0.000 2.304 704 A HA 0.518 4.841 4.320 0.005 0.000 0.301 704 A C 0.520 177.975 177.584 -0.214 0.000 1.132 704 A CA -0.562 51.178 52.037 -0.495 0.000 0.819 704 A CB 1.084 19.268 19.000 -1.360 0.000 1.094 704 A HN 0.839 nan 8.150 nan 0.000 0.492 705 M N 0.383 119.876 119.600 -0.177 0.000 2.351 705 M HA 0.113 4.596 4.480 0.005 0.000 0.250 705 M C 0.954 177.195 176.300 -0.098 0.000 1.145 705 M CA 1.393 56.631 55.300 -0.104 0.000 1.192 705 M CB -0.047 32.493 32.600 -0.099 0.000 1.267 705 M HN 0.763 nan 8.290 nan 0.000 0.467 706 Q N 1.316 121.053 119.800 -0.105 0.000 2.295 706 Q HA 0.159 4.502 4.340 0.005 0.000 0.259 706 Q C -1.847 174.097 176.000 -0.093 0.000 0.976 706 Q CA -1.608 54.157 55.803 -0.063 0.000 0.923 706 Q CB 1.082 29.793 28.738 -0.046 0.000 1.185 706 Q HN 0.204 nan 8.270 nan 0.000 0.410 707 P HA -0.129 nan 4.420 nan 0.000 0.241 707 P C -0.104 177.160 177.300 -0.060 0.000 1.191 707 P CA 0.806 63.860 63.100 -0.076 0.000 0.771 707 P CB 0.389 32.062 31.700 -0.046 0.000 0.929 708 E N 0.189 120.370 120.200 -0.030 0.000 3.286 708 E HA -0.016 4.337 4.350 0.005 0.000 0.370 708 E C 1.042 177.635 176.600 -0.011 0.000 0.516 708 E CA -0.248 56.147 56.400 -0.009 0.000 1.885 708 E CB -1.102 28.609 29.700 0.019 0.000 2.150 708 E HN -0.255 nan 8.360 nan 0.000 0.509 709 D N 0.475 120.876 120.400 0.002 0.000 2.640 709 D HA -0.193 4.450 4.640 0.005 0.000 0.193 709 D C 1.463 177.752 176.300 -0.018 0.000 1.063 709 D CA 1.090 55.091 54.000 0.002 0.000 0.923 709 D CB -0.122 40.665 40.800 -0.022 0.000 0.883 709 D HN 0.186 nan 8.370 nan 0.000 0.463 710 L N 0.047 121.233 121.223 -0.061 0.000 2.629 710 L HA 0.091 4.435 4.340 0.005 0.000 0.230 710 L C 0.778 177.666 176.870 0.030 0.000 1.151 710 L CA 0.741 55.534 54.840 -0.079 0.000 0.924 710 L CB -0.407 41.547 42.059 -0.175 0.000 1.137 710 L HN 0.285 nan 8.230 nan 0.000 0.457 711 E N -2.193 118.040 120.200 0.056 0.000 2.694 711 E HA 0.163 4.516 4.350 0.005 0.000 0.142 711 E C -2.431 174.128 176.600 -0.068 0.000 0.861 711 E CA -0.543 55.881 56.400 0.040 0.000 1.387 711 E CB -0.235 29.462 29.700 -0.006 0.000 0.989 711 E HN 0.143 nan 8.360 nan 0.000 0.462 712 P HA 0.409 nan 4.420 nan 0.000 0.328 712 P C 0.025 177.245 177.300 -0.132 0.000 1.305 712 P CA -0.410 62.620 63.100 -0.118 0.000 0.745 712 P CB 0.368 32.048 31.700 -0.033 0.000 1.462 713 A N -0.319 122.432 122.820 -0.116 0.000 2.409 713 A HA 0.149 4.472 4.320 0.005 0.000 0.246 713 A C 0.424 177.936 177.584 -0.119 0.000 1.099 713 A CA 0.179 52.154 52.037 -0.103 0.000 0.789 713 A CB -0.447 18.524 19.000 -0.049 0.000 1.053 713 A HN 0.472 nan 8.150 nan 0.000 0.503 714 E N 0.260 120.375 120.200 -0.143 0.000 3.406 714 E HA 0.426 4.779 4.350 0.005 0.000 0.210 714 E C 0.233 176.779 176.600 -0.090 0.000 1.167 714 E CA -0.163 56.132 56.400 -0.174 0.000 1.132 714 E CB 0.697 30.224 29.700 -0.289 0.000 1.309 714 E HN 0.751 nan 8.360 nan 0.000 0.424 723 V N 0.443 120.375 119.914 0.031 0.000 2.538 723 V HA 0.402 4.525 4.120 0.005 0.000 0.265 723 V C -0.703 175.412 176.094 0.035 0.000 0.977 723 V CA -0.977 61.343 62.300 0.034 0.000 0.852 723 V CB 1.018 32.862 31.823 0.035 0.000 1.058 723 V HN 0.038 nan 8.190 nan 0.000 0.462 724 D N 6.495 126.918 120.400 0.037 0.000 2.661 724 D HA 0.052 4.695 4.640 0.005 0.000 0.244 724 D C -1.086 175.238 176.300 0.039 0.000 1.196 724 D CA -0.586 53.437 54.000 0.039 0.000 0.881 724 D CB 1.505 42.331 40.800 0.043 0.000 1.141 724 D HN 0.404 nan 8.370 nan 0.000 0.530 725 P HA -0.054 nan 4.420 nan 0.000 0.226 725 P C 0.658 177.981 177.300 0.038 0.000 1.146 725 P CA 1.070 64.191 63.100 0.035 0.000 0.773 725 P CB 0.219 31.938 31.700 0.031 0.000 0.772 726 A N -0.638 122.208 122.820 0.043 0.000 1.984 726 A HA -0.009 4.314 4.320 0.005 0.000 0.214 726 A C 1.036 178.654 177.584 0.058 0.000 1.173 726 A CA 0.421 52.487 52.037 0.048 0.000 0.673 726 A CB -0.458 18.572 19.000 0.049 0.000 0.830 726 A HN 0.113 nan 8.150 nan 0.000 0.453 727 K N 2.249 122.684 120.400 0.059 0.000 2.412 727 K HA 0.138 4.461 4.320 0.005 0.000 0.284 727 K C -0.033 176.603 176.600 0.059 0.000 1.046 727 K CA -0.273 56.054 56.287 0.067 0.000 0.999 727 K CB 0.513 33.051 32.500 0.063 0.000 0.941 727 K HN 0.585 nan 8.250 nan 0.000 0.474 728 R N 1.758 122.296 120.500 0.063 0.000 2.890 728 R HA -0.023 4.320 4.340 0.005 0.000 0.271 728 R C 0.134 176.459 176.300 0.042 0.000 0.983 728 R CA -0.181 55.948 56.100 0.047 0.000 1.145 728 R CB -0.002 30.323 30.300 0.042 0.000 1.050 728 R HN 0.366 nan 8.270 nan 0.000 0.465 729 I N 1.660 122.250 120.570 0.033 0.000 2.281 729 I HA 0.185 4.358 4.170 0.005 0.000 0.293 729 I C 0.540 176.673 176.117 0.027 0.000 1.085 729 I CA -0.346 60.972 61.300 0.030 0.000 1.257 729 I CB 0.254 38.270 38.000 0.027 0.000 1.430 729 I HN 0.557 nan 8.210 nan 0.000 0.489 730 R N 4.403 124.917 120.500 0.022 0.000 2.265 730 R HA 0.362 4.705 4.340 0.005 0.000 0.314 730 R C 0.905 177.204 176.300 -0.001 0.000 1.053 730 R CA -0.353 55.751 56.100 0.007 0.000 0.931 730 R CB 1.373 31.671 30.300 -0.004 0.000 1.024 730 R HN 0.438 nan 8.270 nan 0.000 0.457 731 V N 2.022 121.936 119.914 0.000 0.000 2.232 731 V HA -0.191 3.932 4.120 0.005 0.000 0.241 731 V C 0.588 176.697 176.094 0.025 0.000 1.036 731 V CA 1.617 63.932 62.300 0.024 0.000 0.993 731 V CB -0.538 31.304 31.823 0.031 0.000 0.639 731 V HN 0.866 nan 8.190 nan 0.000 0.459 732 S N -3.399 112.289 115.700 -0.020 0.000 2.636 732 S HA 0.306 4.779 4.470 0.005 0.000 0.266 732 S C -0.039 174.472 174.600 -0.147 0.000 1.116 732 S CA -0.204 57.947 58.200 -0.082 0.000 0.893 732 S CB 0.510 63.730 63.200 0.032 0.000 1.171 732 S HN 0.574 nan 8.310 nan 0.000 0.482 733 H N -0.030 118.989 119.070 -0.084 0.000 2.592 733 H HA 0.306 4.865 4.556 0.005 0.000 0.265 733 H C 0.372 175.720 175.328 0.034 0.000 0.955 733 H CA 0.139 56.195 56.048 0.014 0.000 1.175 733 H CB -0.197 29.547 29.762 -0.031 0.000 1.433 733 H HN 0.449 nan 8.280 nan 0.000 0.537 734 H N 1.474 120.639 119.070 0.158 0.000 5.619 734 H HA 0.145 4.704 4.556 0.005 0.000 0.129 734 H C -0.067 175.230 175.328 -0.051 0.000 0.375 734 H CA 0.943 57.020 56.048 0.047 0.000 1.266 734 H CB -1.221 28.556 29.762 0.025 0.000 1.384 734 H HN 0.495 nan 8.280 nan 0.000 1.036 735 A N -0.096 122.704 122.820 -0.033 0.000 2.583 735 A HA 0.393 4.716 4.320 0.005 0.000 0.298 735 A C 0.524 177.893 177.584 -0.359 0.000 1.055 735 A CA -0.529 51.319 52.037 -0.316 0.000 0.714 735 A CB 1.018 19.602 19.000 -0.695 0.000 1.277 735 A HN 0.202 nan 8.150 nan 0.000 0.406 736 T N 0.754 115.120 114.554 -0.313 0.000 3.087 736 T HA 0.145 4.499 4.350 0.005 0.000 0.283 736 T C 0.923 175.541 174.700 -0.137 0.000 0.956 736 T CA 0.954 62.966 62.100 -0.147 0.000 0.894 736 T CB 0.130 68.959 68.868 -0.064 0.000 1.160 736 T HN 0.863 nan 8.240 nan 0.000 0.532 737 T N -0.062 114.335 114.554 -0.262 0.000 3.044 737 T HA 0.382 4.735 4.350 0.005 0.000 0.260 737 T C 0.593 175.237 174.700 -0.094 0.000 1.019 737 T CA -0.483 61.528 62.100 -0.149 0.000 0.921 737 T CB -0.369 68.414 68.868 -0.142 0.000 1.053 737 T HN 0.267 nan 8.240 nan 0.000 0.533 738 F N 3.622 123.563 119.950 -0.015 0.000 2.517 738 F HA -0.072 4.458 4.527 0.005 0.000 0.398 738 F C 2.116 177.871 175.800 -0.076 0.000 1.005 738 F CA 0.618 58.601 58.000 -0.028 0.000 1.221 738 F CB 0.465 39.463 39.000 -0.003 0.000 0.936 738 F HN 0.221 nan 8.300 nan 0.000 0.557 739 T N -0.988 113.599 114.554 0.055 0.000 3.056 739 T HA 0.185 4.538 4.350 0.005 0.000 0.243 739 T C 0.057 174.562 174.700 -0.325 0.000 0.995 739 T CA 0.020 61.968 62.100 -0.254 0.000 1.091 739 T CB -0.016 68.503 68.868 -0.582 0.000 0.990 739 T HN 0.562 nan 8.240 nan 0.000 0.464 740 H N -0.774 118.384 119.070 0.147 0.000 2.622 740 H HA 0.715 5.274 4.556 0.005 0.000 0.363 740 H C -0.955 174.418 175.328 0.075 0.000 1.151 740 H CA -1.018 55.096 56.048 0.110 0.000 1.184 740 H CB 1.749 31.566 29.762 0.092 0.000 1.643 740 H HN 0.295 nan 8.280 nan 0.000 0.531 741 C N 1.692 121.119 119.300 0.210 0.000 2.349 741 C HA 0.399 4.862 4.460 0.005 0.000 0.361 741 C C 0.259 175.338 174.990 0.148 0.000 1.189 741 C CA -0.210 58.873 59.018 0.108 0.000 2.155 741 C CB 0.789 28.591 27.740 0.104 0.000 2.336 741 C HN 0.888 nan 8.230 nan 0.000 0.540 742 E N 1.345 121.597 120.200 0.086 0.000 2.283 742 E HA 0.327 4.680 4.350 0.005 0.000 0.271 742 E C 0.835 177.481 176.600 0.076 0.000 1.031 742 E CA -0.300 56.133 56.400 0.056 0.000 0.868 742 E CB 0.584 30.324 29.700 0.066 0.000 1.094 742 E HN 0.451 nan 8.360 nan 0.000 0.401 743 I N 1.368 121.883 120.570 -0.092 0.000 2.086 743 I HA -0.073 4.100 4.170 0.005 0.000 0.233 743 I C 0.561 176.699 176.117 0.036 0.000 1.060 743 I CA 1.365 62.615 61.300 -0.082 0.000 1.326 743 I CB -0.985 36.782 38.000 -0.389 0.000 1.067 743 I HN 0.561 nan 8.210 nan 0.000 0.398 744 H N 0.218 119.144 119.070 -0.241 0.000 2.966 744 H HA 0.296 4.855 4.556 0.005 0.000 0.347 744 H C -2.128 173.099 175.328 -0.169 0.000 1.048 744 H CA -1.418 54.477 56.048 -0.254 0.000 1.295 744 H CB 2.266 31.685 29.762 -0.573 0.000 1.744 744 H HN -0.210 nan 8.280 nan 0.000 0.513 745 P HA -0.137 nan 4.420 nan 0.000 0.220 745 P C 1.058 178.211 177.300 -0.245 0.000 1.148 745 P CA 1.492 64.352 63.100 -0.401 0.000 0.803 745 P CB 0.223 31.514 31.700 -0.682 0.000 0.782 746 S N -1.899 113.812 115.700 0.018 0.000 2.528 746 S HA -0.092 4.381 4.470 0.005 0.000 0.244 746 S C 1.585 176.282 174.600 0.162 0.000 0.982 746 S CA 0.953 59.357 58.200 0.340 0.000 0.953 746 S CB -0.899 62.659 63.200 0.596 0.000 0.754 746 S HN 0.039 nan 8.310 nan 0.000 0.529 747 M N 1.244 120.834 119.600 -0.018 0.000 2.465 747 M HA 0.334 4.817 4.480 0.005 0.000 0.249 747 M C 1.808 177.974 176.300 -0.222 0.000 1.130 747 M CA 0.206 55.456 55.300 -0.083 0.000 1.067 747 M CB -0.930 31.588 32.600 -0.138 0.000 1.394 747 M HN 0.512 nan 8.290 nan 0.000 0.483 748 I N -1.175 119.163 120.570 -0.386 0.000 2.657 748 I HA -0.113 4.060 4.170 0.005 0.000 0.261 748 I C 0.699 176.653 176.117 -0.271 0.000 1.212 748 I CA 0.515 61.506 61.300 -0.514 0.000 1.453 748 I CB -0.619 36.810 38.000 -0.952 0.000 1.092 748 I HN -0.008 nan 8.210 nan 0.000 0.452 749 L N 2.284 123.421 121.223 -0.143 0.000 2.417 749 L HA 0.436 4.779 4.340 0.005 0.000 0.268 749 L C 0.720 177.542 176.870 -0.081 0.000 1.158 749 L CA -0.101 54.688 54.840 -0.085 0.000 0.819 749 L CB 0.475 42.517 42.059 -0.028 0.000 1.112 749 L HN 0.205 nan 8.230 nan 0.000 0.458 750 G N 0.655 109.403 108.800 -0.086 0.000 2.379 750 G HA2 0.411 4.374 3.960 0.005 0.000 0.327 750 G HA3 0.411 4.374 3.960 0.005 0.000 0.327 750 G C 0.655 175.512 174.900 -0.071 0.000 1.145 750 G CA -0.310 44.746 45.100 -0.074 0.000 0.905 750 G HN 0.587 nan 8.290 nan 0.000 0.466 751 V N 2.284 122.161 119.914 -0.063 0.000 1.578 751 V HA -0.476 3.647 4.120 0.005 0.000 0.128 751 V C 2.810 178.833 176.094 -0.118 0.000 1.207 751 V CA 4.186 66.431 62.300 -0.092 0.000 2.497 751 V CB -1.199 30.561 31.823 -0.104 0.000 0.879 751 V HN 1.319 nan 8.190 nan 0.000 0.464 752 A N -1.173 121.581 122.820 -0.110 0.000 1.897 752 A HA 0.231 4.554 4.320 0.005 0.000 0.215 752 A C 2.305 179.820 177.584 -0.116 0.000 1.181 752 A CA 2.588 54.554 52.037 -0.119 0.000 0.620 752 A CB -0.874 18.071 19.000 -0.092 0.000 0.821 752 A HN 1.513 nan 8.150 nan 0.000 0.443 753 A N -0.341 122.425 122.820 -0.089 0.000 1.969 753 A HA -0.012 4.311 4.320 0.005 0.000 0.218 753 A C 2.147 179.684 177.584 -0.079 0.000 1.169 753 A CA 1.692 53.687 52.037 -0.070 0.000 0.635 753 A CB -0.730 18.238 19.000 -0.053 0.000 0.810 753 A HN 0.429 nan 8.150 nan 0.000 0.445 754 S N 0.007 115.656 115.700 -0.086 0.000 2.653 754 S HA 0.056 4.530 4.470 0.005 0.000 0.233 754 S C 1.220 175.734 174.600 -0.143 0.000 0.970 754 S CA 0.404 58.558 58.200 -0.076 0.000 0.947 754 S CB -0.208 62.969 63.200 -0.039 0.000 0.771 754 S HN 0.480 nan 8.310 nan 0.000 0.538 755 I N 0.800 121.255 120.570 -0.193 0.000 3.645 755 I HA 0.227 4.400 4.170 0.005 0.000 0.300 755 I C 0.500 176.509 176.117 -0.179 0.000 1.260 755 I CA 0.403 61.530 61.300 -0.288 0.000 1.365 755 I CB -0.200 37.529 38.000 -0.452 0.000 1.077 755 I HN 0.232 nan 8.210 nan 0.000 0.439 756 I N 4.519 125.027 120.570 -0.103 0.000 2.471 756 I HA 0.079 4.252 4.170 0.005 0.000 0.286 756 I C -1.956 174.163 176.117 0.004 0.000 1.079 756 I CA -1.432 59.857 61.300 -0.018 0.000 1.398 756 I CB 0.644 38.671 38.000 0.044 0.000 1.403 756 I HN -0.114 nan 8.210 nan 0.000 0.530 757 P HA 0.162 nan 4.420 nan 0.000 0.277 757 P C -0.838 176.570 177.300 0.179 0.000 1.354 757 P CA -0.193 62.911 63.100 0.007 0.000 0.891 757 P CB -0.207 31.553 31.700 0.099 0.000 1.058 758 F N 2.929 122.890 119.950 0.018 0.000 2.347 758 F HA -0.137 4.393 4.527 0.005 0.000 0.381 758 F C -1.580 174.231 175.800 0.019 0.000 1.130 758 F CA -0.492 57.520 58.000 0.021 0.000 1.275 758 F CB -1.996 37.026 39.000 0.037 0.000 1.857 758 F HN 0.284 nan 8.300 nan 0.000 0.781 759 P HA -0.116 nan 4.420 nan 0.000 0.222 759 P C 1.457 178.777 177.300 0.033 0.000 1.153 759 P CA 1.598 64.735 63.100 0.062 0.000 0.798 759 P CB 0.127 31.827 31.700 -0.001 0.000 0.796 760 D N -1.318 119.058 120.400 -0.040 0.000 2.309 760 D HA -0.205 4.438 4.640 0.005 0.000 0.212 760 D C 1.109 177.343 176.300 -0.110 0.000 0.968 760 D CA 1.233 55.162 54.000 -0.118 0.000 0.882 760 D CB -1.236 39.355 40.800 -0.348 0.000 0.918 760 D HN 0.324 nan 8.370 nan 0.000 0.503 761 H N -0.285 118.791 119.070 0.011 0.000 2.524 761 H HA 0.304 4.863 4.556 0.005 0.000 0.280 761 H C 0.050 175.346 175.328 -0.053 0.000 1.018 761 H CA -0.153 55.873 56.048 -0.037 0.000 1.165 761 H CB 0.203 29.893 29.762 -0.120 0.000 1.411 761 H HN 0.249 nan 8.280 nan 0.000 0.569 762 N N 0.493 119.224 118.700 0.051 0.000 2.545 762 N HA 0.122 4.865 4.740 0.005 0.000 0.289 762 N C -0.560 174.965 175.510 0.024 0.000 1.279 762 N CA -0.634 52.427 53.050 0.018 0.000 0.824 762 N CB 2.371 40.863 38.487 0.009 0.000 1.395 762 N HN 0.119 nan 8.380 nan 0.000 0.526 763 Q N 0.520 120.338 119.800 0.030 0.000 2.205 763 Q HA 0.366 4.709 4.340 0.005 0.000 0.249 763 Q C 0.047 176.073 176.000 0.043 0.000 0.948 763 Q CA -0.508 55.315 55.803 0.035 0.000 0.895 763 Q CB 1.485 30.244 28.738 0.035 0.000 1.249 763 Q HN 0.614 nan 8.270 nan 0.000 0.458 764 S N 2.969 118.688 115.700 0.031 0.000 2.555 764 S HA -0.185 4.288 4.470 0.005 0.000 0.267 764 S C -1.408 173.197 174.600 0.008 0.000 1.109 764 S CA 1.460 59.668 58.200 0.012 0.000 1.578 764 S CB -1.400 61.799 63.200 -0.001 0.000 1.234 764 S HN 0.784 nan 8.310 nan 0.000 0.413 765 P HA -0.284 nan 4.420 nan 0.000 0.255 765 P C 1.322 178.649 177.300 0.045 0.000 0.776 765 P CA 1.769 64.838 63.100 -0.051 0.000 1.093 765 P CB -0.275 31.542 31.700 0.194 0.000 0.807 766 R N -1.402 119.319 120.500 0.369 0.000 2.279 766 R HA -0.253 4.090 4.340 0.005 0.000 0.264 766 R C 1.936 178.364 176.300 0.213 0.000 1.138 766 R CA 2.116 58.445 56.100 0.382 0.000 0.981 766 R CB -2.313 28.110 30.300 0.205 0.000 0.909 766 R HN 0.390 nan 8.270 nan 0.000 0.462 767 N N -0.535 118.227 118.700 0.102 0.000 2.080 767 N HA -0.079 4.664 4.740 0.005 0.000 0.189 767 N C 1.572 177.089 175.510 0.011 0.000 1.036 767 N CA 1.856 54.946 53.050 0.066 0.000 0.846 767 N CB -0.556 37.955 38.487 0.041 0.000 1.015 767 N HN 0.189 nan 8.380 nan 0.000 0.423 768 T N 0.149 114.666 114.554 -0.061 0.000 2.649 768 T HA -0.219 4.134 4.350 0.005 0.000 0.268 768 T C 1.562 176.176 174.700 -0.145 0.000 1.036 768 T CA 1.592 63.599 62.100 -0.154 0.000 1.157 768 T CB -0.582 68.118 68.868 -0.281 0.000 0.861 768 T HN 0.339 nan 8.240 nan 0.000 0.445 769 Y N 0.919 121.210 120.300 -0.015 0.000 2.145 769 Y HA -0.185 4.368 4.550 0.005 0.000 0.286 769 Y C 2.931 178.814 175.900 -0.029 0.000 1.145 769 Y CA 1.227 59.314 58.100 -0.022 0.000 1.148 769 Y CB -0.321 38.129 38.460 -0.018 0.000 0.981 769 Y HN 0.125 nan 8.280 nan 0.000 0.507 770 Q N 0.615 120.494 119.800 0.132 0.000 2.096 770 Q HA -0.161 4.182 4.340 0.005 0.000 0.204 770 Q C 2.139 178.140 176.000 0.002 0.000 0.982 770 Q CA 2.223 58.051 55.803 0.042 0.000 0.850 770 Q CB -0.630 28.118 28.738 0.018 0.000 0.901 770 Q HN 0.335 nan 8.270 nan 0.000 0.422 771 S N 0.364 116.056 115.700 -0.013 0.000 2.383 771 S HA -0.160 4.313 4.470 0.005 0.000 0.229 771 S C 1.889 176.470 174.600 -0.032 0.000 1.030 771 S CA 1.171 59.347 58.200 -0.040 0.000 1.002 771 S CB -0.587 62.578 63.200 -0.057 0.000 0.829 771 S HN 0.611 nan 8.310 nan 0.000 0.467 772 A N 1.532 124.343 122.820 -0.015 0.000 1.898 772 A HA 0.024 4.347 4.320 0.005 0.000 0.216 772 A C 2.070 179.651 177.584 -0.005 0.000 1.181 772 A CA 1.314 53.346 52.037 -0.007 0.000 0.620 772 A CB -0.485 18.526 19.000 0.018 0.000 0.819 772 A HN 0.527 nan 8.150 nan 0.000 0.442 773 M N -0.711 118.892 119.600 0.007 0.000 2.541 773 M HA 0.089 4.572 4.480 0.005 0.000 0.252 773 M C 2.045 178.337 176.300 -0.013 0.000 1.125 773 M CA 0.770 56.067 55.300 -0.005 0.000 1.091 773 M CB -0.189 32.412 32.600 0.002 0.000 1.420 773 M HN 0.429 nan 8.290 nan 0.000 0.486 774 G N 1.358 110.148 108.800 -0.017 0.000 2.443 774 G HA2 -0.147 3.816 3.960 0.005 0.000 0.219 774 G HA3 -0.147 3.816 3.960 0.005 0.000 0.219 774 G C 1.659 176.565 174.900 0.011 0.000 1.131 774 G CA 0.427 45.520 45.100 -0.011 0.000 0.775 774 G HN 0.401 nan 8.290 nan 0.000 0.547 775 K N 0.078 120.471 120.400 -0.012 0.000 2.283 775 K HA -0.048 4.275 4.320 0.005 0.000 0.202 775 K C 2.168 178.755 176.600 -0.023 0.000 1.048 775 K CA 0.959 57.239 56.287 -0.012 0.000 0.948 775 K CB 0.026 32.503 32.500 -0.039 0.000 0.742 775 K HN 0.437 nan 8.250 nan 0.000 0.458 776 Q N -0.356 119.408 119.800 -0.060 0.000 2.247 776 Q HA 0.229 4.572 4.340 0.005 0.000 0.211 776 Q C 0.402 176.360 176.000 -0.071 0.000 0.861 776 Q CA -0.390 55.292 55.803 -0.202 0.000 0.949 776 Q CB 0.889 29.503 28.738 -0.207 0.000 1.115 776 Q HN 0.136 nan 8.270 nan 0.000 0.507 777 A N 1.476 124.351 122.820 0.091 0.000 2.267 777 A HA 0.551 4.874 4.320 0.005 0.000 0.276 777 A C -0.082 177.688 177.584 0.309 0.000 1.336 777 A CA -0.050 52.072 52.037 0.142 0.000 0.815 777 A CB 0.463 19.539 19.000 0.128 0.000 1.256 777 A HN 0.329 nan 8.150 nan 0.000 0.512 778 M N -1.867 117.847 119.600 0.189 0.000 2.365 778 M HA 0.550 5.033 4.480 0.005 0.000 0.287 778 M C -0.429 175.889 176.300 0.031 0.000 1.154 778 M CA 0.571 55.922 55.300 0.085 0.000 0.941 778 M CB 1.907 34.568 32.600 0.101 0.000 1.704 778 M HN 1.572 nan 8.290 nan 0.000 0.479 779 G N 1.312 110.082 108.800 -0.050 0.000 2.368 779 G HA2 0.208 4.171 3.960 0.005 0.000 0.269 779 G HA3 0.208 4.171 3.960 0.005 0.000 0.269 779 G C -1.399 173.461 174.900 -0.066 0.000 1.291 779 G CA -0.667 44.410 45.100 -0.038 0.000 0.903 779 G HN 0.637 nan 8.290 nan 0.000 0.483 780 V N 2.081 121.932 119.914 -0.106 0.000 2.797 780 V HA 0.063 4.186 4.120 0.005 0.000 0.264 780 V C 1.421 177.450 176.094 -0.109 0.000 0.949 780 V CA 2.024 64.221 62.300 -0.172 0.000 1.166 780 V CB -1.567 30.135 31.823 -0.203 0.000 0.901 780 V HN 0.878 nan 8.190 nan 0.000 0.464 781 F N 3.823 123.653 119.950 -0.200 0.000 2.678 781 F HA 0.593 5.123 4.527 0.005 0.000 0.291 781 F C 0.440 176.209 175.800 -0.052 0.000 1.123 781 F CA 0.037 57.979 58.000 -0.097 0.000 1.395 781 F CB 0.409 39.315 39.000 -0.156 0.000 1.121 781 F HN 0.252 nan 8.300 nan 0.000 0.592 782 L N -0.134 120.420 121.223 -1.115 0.000 2.775 782 L HA 0.192 4.535 4.340 0.005 0.000 0.263 782 L C 0.418 177.029 176.870 -0.432 0.000 1.017 782 L CA -0.355 54.024 54.840 -0.768 0.000 0.891 782 L CB 2.031 43.615 42.059 -0.791 0.000 1.482 782 L HN -0.141 nan 8.230 nan 0.000 0.410 783 T N -1.124 113.305 114.554 -0.207 0.000 2.976 783 T HA -0.045 4.308 4.350 0.005 0.000 0.257 783 T C 1.199 175.866 174.700 -0.055 0.000 1.051 783 T CA 0.997 63.078 62.100 -0.030 0.000 1.141 783 T CB -0.192 68.718 68.868 0.071 0.000 0.881 783 T HN 0.660 nan 8.240 nan 0.000 0.461 784 N N 2.305 120.945 118.700 -0.100 0.000 2.471 784 N HA -0.068 4.675 4.740 0.005 0.000 0.205 784 N C 1.238 176.656 175.510 -0.153 0.000 1.251 784 N CA 0.029 53.006 53.050 -0.121 0.000 0.843 784 N CB -0.959 37.485 38.487 -0.072 0.000 1.044 784 N HN 0.687 nan 8.380 nan 0.000 0.461 785 Y N -0.588 119.565 120.300 -0.245 0.000 2.384 785 Y HA -0.048 4.505 4.550 0.004 0.000 0.289 785 Y C 1.810 177.596 175.900 -0.190 0.000 1.152 785 Y CA 0.853 58.831 58.100 -0.203 0.000 1.258 785 Y CB -0.842 37.508 38.460 -0.183 0.000 0.979 785 Y HN -0.033 nan 8.280 nan 0.000 0.549 786 N N 0.917 119.240 118.700 -0.629 0.000 2.166 786 N HA -0.126 4.617 4.740 0.005 0.000 0.186 786 N C 1.427 176.835 175.510 -0.169 0.000 1.019 786 N CA 1.837 54.633 53.050 -0.423 0.000 0.856 786 N CB -0.217 38.020 38.487 -0.416 0.000 0.993 786 N HN 0.374 nan 8.380 nan 0.000 0.426 787 V N -0.261 119.575 119.914 -0.129 0.000 3.354 787 V HA 0.182 4.305 4.120 0.005 0.000 0.258 787 V C 0.894 176.985 176.094 -0.005 0.000 1.159 787 V CA 0.300 62.570 62.300 -0.051 0.000 1.125 787 V CB -0.283 31.517 31.823 -0.039 0.000 0.774 787 V HN 0.121 nan 8.190 nan 0.000 0.464 788 R N 0.316 120.820 120.500 0.006 0.000 2.577 788 R HA 0.495 4.838 4.340 0.005 0.000 0.269 788 R C 0.052 176.389 176.300 0.061 0.000 1.084 788 R CA -0.045 56.089 56.100 0.056 0.000 1.163 788 R CB 0.432 30.794 30.300 0.104 0.000 1.100 788 R HN 0.092 nan 8.270 nan 0.000 0.547 789 M N 2.567 122.213 119.600 0.076 0.000 3.287 789 M HA 0.152 4.635 4.480 0.005 0.000 0.336 789 M C -1.453 174.885 176.300 0.064 0.000 1.573 789 M CA -0.347 54.994 55.300 0.069 0.000 0.609 789 M CB 0.553 33.192 32.600 0.066 0.000 1.421 789 M HN 0.678 nan 8.290 nan 0.000 0.476 790 D N 0.680 121.113 120.400 0.054 0.000 2.294 790 D HA 0.329 4.972 4.640 0.005 0.000 0.250 790 D C -0.036 176.257 176.300 -0.011 0.000 1.058 790 D CA -0.256 53.759 54.000 0.025 0.000 0.950 790 D CB 1.130 41.941 40.800 0.018 0.000 1.158 790 D HN 0.077 nan 8.370 nan 0.000 0.453 791 T N 1.078 115.615 114.554 -0.029 0.000 2.901 791 T HA 0.298 4.651 4.350 0.005 0.000 0.301 791 T C 0.626 175.288 174.700 -0.065 0.000 1.012 791 T CA -0.257 61.808 62.100 -0.058 0.000 1.135 791 T CB 0.252 69.079 68.868 -0.068 0.000 0.936 791 T HN 0.458 nan 8.240 nan 0.000 0.539 792 M N 1.180 120.739 119.600 -0.068 0.000 7.119 792 M HA 0.005 4.488 4.480 0.005 0.000 0.157 792 M C -0.551 175.679 176.300 -0.117 0.000 0.628 792 M CA 1.171 56.459 55.300 -0.020 0.000 1.296 792 M CB -0.503 32.141 32.600 0.073 0.000 0.551 792 M HN 1.265 nan 8.290 nan 0.000 0.190 793 A N 3.087 125.849 122.820 -0.097 0.000 2.581 793 A HA 0.574 4.897 4.320 0.005 0.000 0.309 793 A C -1.339 176.167 177.584 -0.129 0.000 1.022 793 A CA -0.791 51.051 52.037 -0.324 0.000 0.833 793 A CB 1.038 19.797 19.000 -0.402 0.000 1.208 793 A HN 0.767 nan 8.150 nan 0.000 0.388 794 N N 1.300 119.800 118.700 -0.333 0.000 2.491 794 N HA 0.609 5.352 4.740 0.005 0.000 0.274 794 N C -1.551 173.841 175.510 -0.196 0.000 1.023 794 N CA -0.264 52.688 53.050 -0.162 0.000 0.902 794 N CB 1.668 39.992 38.487 -0.271 0.000 1.267 794 N HN 0.514 nan 8.380 nan 0.000 0.503 795 I N 1.972 122.506 120.570 -0.060 0.000 2.509 795 I HA 0.321 4.494 4.170 0.005 0.000 0.293 795 I C -0.276 175.864 176.117 0.039 0.000 1.020 795 I CA -0.623 60.605 61.300 -0.119 0.000 1.088 795 I CB 1.878 39.637 38.000 -0.401 0.000 1.267 795 I HN 0.264 nan 8.210 nan 0.000 0.430 796 L N 5.518 126.759 121.223 0.030 0.000 2.367 796 L HA 0.192 4.535 4.340 0.005 0.000 0.275 796 L C 0.691 177.679 176.870 0.195 0.000 1.129 796 L CA 0.385 55.307 54.840 0.136 0.000 0.839 796 L CB 0.223 42.358 42.059 0.127 0.000 1.133 796 L HN 0.454 nan 8.230 nan 0.000 0.453 797 Y N 3.857 124.186 120.300 0.050 0.000 2.128 797 Y HA -0.195 4.357 4.550 0.004 0.000 0.284 797 Y C 0.358 176.014 175.900 -0.407 0.000 1.154 797 Y CA 1.278 59.321 58.100 -0.096 0.000 1.149 797 Y CB -0.280 38.271 38.460 0.153 0.000 0.976 797 Y HN 0.480 nan 8.280 nan 0.000 0.505 798 Y N -0.173 120.247 120.300 0.201 0.000 2.497 798 Y HA 0.326 4.878 4.550 0.004 0.000 0.333 798 Y C -2.456 173.485 175.900 0.068 0.000 1.046 798 Y CA -3.190 54.968 58.100 0.097 0.000 1.160 798 Y CB 0.289 38.793 38.460 0.073 0.000 1.123 798 Y HN -0.102 nan 8.280 nan 0.000 0.638 799 P HA 0.155 nan 4.420 nan 0.000 0.275 799 P C -0.762 176.579 177.300 0.068 0.000 1.227 799 P CA -0.073 63.085 63.100 0.096 0.000 0.781 799 P CB 1.541 33.257 31.700 0.028 0.000 0.906 800 Q N 0.669 120.529 119.800 0.099 0.000 2.387 800 Q HA 0.320 4.663 4.340 0.005 0.000 0.273 800 Q C -0.060 175.939 176.000 -0.003 0.000 1.089 800 Q CA -1.147 54.692 55.803 0.061 0.000 0.824 800 Q CB 2.293 31.088 28.738 0.094 0.000 1.367 800 Q HN 0.380 nan 8.270 nan 0.000 0.443 801 K N 1.321 121.653 120.400 -0.113 0.000 2.440 801 K HA 0.183 4.506 4.320 0.005 0.000 0.270 801 K C -2.305 174.117 176.600 -0.297 0.000 0.980 801 K CA -0.909 55.241 56.287 -0.228 0.000 0.953 801 K CB 0.055 32.456 32.500 -0.165 0.000 0.925 801 K HN 0.193 nan 8.250 nan 0.000 0.497 802 P HA 0.032 nan 4.420 nan 0.000 0.276 802 P C 0.262 177.375 177.300 -0.312 0.000 1.252 802 P CA -0.403 62.225 63.100 -0.787 0.000 0.802 802 P CB 0.638 31.656 31.700 -1.137 0.000 1.035 803 L N -0.199 120.914 121.223 -0.184 0.000 2.610 803 L HA 0.139 4.482 4.340 0.005 0.000 0.232 803 L C 1.205 178.015 176.870 -0.101 0.000 1.149 803 L CA 0.799 55.577 54.840 -0.103 0.000 0.872 803 L CB -0.564 41.464 42.059 -0.051 0.000 0.992 803 L HN 0.577 nan 8.230 nan 0.000 0.447 804 G N -0.186 108.534 108.800 -0.133 0.000 3.948 804 G HA2 0.210 4.173 3.960 0.005 0.000 0.300 804 G HA3 0.210 4.173 3.960 0.005 0.000 0.300 804 G C 0.010 174.820 174.900 -0.150 0.000 1.318 804 G CA -0.196 44.839 45.100 -0.108 0.000 0.768 804 G HN 0.051 nan 8.290 nan 0.000 0.504 805 T N -0.741 113.717 114.554 -0.160 0.000 2.813 805 T HA 0.550 4.903 4.350 0.005 0.000 0.297 805 T C 0.666 175.242 174.700 -0.206 0.000 1.036 805 T CA 0.038 62.040 62.100 -0.163 0.000 1.044 805 T CB 1.211 69.992 68.868 -0.146 0.000 0.993 805 T HN 0.109 nan 8.240 nan 0.000 0.535 806 T N 2.171 116.605 114.554 -0.200 0.000 2.918 806 T HA 0.359 4.712 4.350 0.005 0.000 0.283 806 T C 1.302 175.832 174.700 -0.283 0.000 1.001 806 T CA -0.981 60.986 62.100 -0.222 0.000 1.041 806 T CB 1.017 69.782 68.868 -0.171 0.000 1.028 806 T HN 0.503 nan 8.240 nan 0.000 0.511 807 R N 0.552 120.843 120.500 -0.348 0.000 2.339 807 R HA 0.096 4.439 4.340 0.005 0.000 0.199 807 R C 1.495 177.495 176.300 -0.500 0.000 1.018 807 R CA 0.286 55.998 56.100 -0.647 0.000 1.036 807 R CB -0.739 28.820 30.300 -1.236 0.000 0.899 807 R HN 0.736 nan 8.270 nan 0.000 0.473 808 A N -0.614 122.064 122.820 -0.236 0.000 2.127 808 A HA 0.109 4.432 4.320 0.005 0.000 0.204 808 A C 1.925 179.389 177.584 -0.199 0.000 1.243 808 A CA -0.210 51.756 52.037 -0.119 0.000 0.887 808 A CB 0.011 19.043 19.000 0.054 0.000 0.933 808 A HN 0.131 nan 8.150 nan 0.000 0.479 809 M N 0.042 119.532 119.600 -0.183 0.000 2.252 809 M HA -0.256 4.227 4.480 0.005 0.000 0.257 809 M C 1.927 178.153 176.300 -0.122 0.000 1.077 809 M CA 2.066 57.315 55.300 -0.085 0.000 1.066 809 M CB -0.431 32.154 32.600 -0.024 0.000 1.380 809 M HN 0.558 nan 8.290 nan 0.000 0.412 810 E N 0.788 120.778 120.200 -0.350 0.000 2.038 810 E HA -0.188 4.165 4.350 0.005 0.000 0.195 810 E C 1.342 177.732 176.600 -0.350 0.000 1.000 810 E CA 2.047 58.155 56.400 -0.486 0.000 0.803 810 E CB -0.368 28.791 29.700 -0.903 0.000 0.750 810 E HN 0.701 nan 8.360 nan 0.000 0.448 811 Y N -0.657 119.597 120.300 -0.077 0.000 2.478 811 Y HA 0.258 4.811 4.550 0.005 0.000 0.261 811 Y C 1.623 177.425 175.900 -0.163 0.000 1.127 811 Y CA -0.237 57.753 58.100 -0.184 0.000 1.288 811 Y CB 0.292 38.455 38.460 -0.495 0.000 1.084 811 Y HN -0.050 nan 8.280 nan 0.000 0.530 812 L N 0.291 121.517 121.223 0.005 0.000 2.599 812 L HA 0.021 4.364 4.340 0.005 0.000 0.230 812 L C 0.607 177.641 176.870 0.273 0.000 1.141 812 L CA 0.384 55.264 54.840 0.066 0.000 0.877 812 L CB -0.256 41.800 42.059 -0.006 0.000 1.009 812 L HN 0.149 nan 8.230 nan 0.000 0.447 813 K N -1.096 119.440 120.400 0.226 0.000 3.088 813 K HA -0.274 4.049 4.320 0.005 0.000 0.273 813 K C 0.887 177.620 176.600 0.222 0.000 1.111 813 K CA 0.709 57.150 56.287 0.257 0.000 0.803 813 K CB -1.997 30.727 32.500 0.373 0.000 1.226 813 K HN 0.234 nan 8.250 nan 0.000 0.485 814 F N 1.899 121.879 119.950 0.051 0.000 2.039 814 F HA -0.104 4.426 4.527 0.005 0.000 0.294 814 F C 2.310 178.090 175.800 -0.034 0.000 1.130 814 F CA 1.505 59.520 58.000 0.025 0.000 1.189 814 F CB -0.107 38.888 39.000 -0.008 0.000 0.983 814 F HN 0.043 nan 8.300 nan 0.000 0.471 815 R N 0.221 120.698 120.500 -0.038 0.000 2.293 815 R HA -0.274 4.069 4.340 0.005 0.000 0.270 815 R C 1.643 177.843 176.300 -0.166 0.000 1.192 815 R CA 2.210 58.228 56.100 -0.137 0.000 1.017 815 R CB -0.943 29.316 30.300 -0.068 0.000 0.887 815 R HN 0.465 nan 8.270 nan 0.000 0.480 816 E N -0.678 119.432 120.200 -0.149 0.000 2.290 816 E HA 0.104 4.457 4.350 0.005 0.000 0.199 816 E C -0.146 176.262 176.600 -0.319 0.000 0.912 816 E CA 0.218 56.528 56.400 -0.150 0.000 0.924 816 E CB 0.348 30.058 29.700 0.016 0.000 0.901 816 E HN -0.017 nan 8.360 nan 0.000 0.487 817 L N 2.812 123.778 121.223 -0.429 0.000 2.435 817 L HA 0.372 4.715 4.340 0.005 0.000 0.253 817 L C -2.441 174.218 176.870 -0.352 0.000 1.087 817 L CA -1.826 52.760 54.840 -0.424 0.000 0.950 817 L CB 0.911 42.590 42.059 -0.634 0.000 1.304 817 L HN -0.038 nan 8.230 nan 0.000 0.453 818 P HA 0.580 nan 4.420 nan 0.000 0.284 818 P C -1.213 175.973 177.300 -0.190 0.000 1.292 818 P CA -0.835 61.838 63.100 -0.711 0.000 0.800 818 P CB 1.716 33.066 31.700 -0.583 0.000 1.188 819 A N -0.275 122.556 122.820 0.020 0.000 2.679 819 A HA 0.696 5.019 4.320 0.005 0.000 0.288 819 A C -0.378 177.291 177.584 0.143 0.000 1.160 819 A CA -0.041 52.082 52.037 0.144 0.000 0.763 819 A CB 0.036 19.165 19.000 0.214 0.000 1.270 819 A HN 0.837 nan 8.150 nan 0.000 0.417 820 G N 1.132 109.986 108.800 0.091 0.000 2.326 820 G HA2 0.385 4.349 3.960 0.005 0.000 0.299 820 G HA3 0.385 4.349 3.960 0.005 0.000 0.299 820 G C -1.088 173.827 174.900 0.025 0.000 1.643 820 G CA -0.914 44.119 45.100 -0.112 0.000 0.916 820 G HN 0.772 nan 8.290 nan 0.000 0.700 821 Q N 0.140 120.008 119.800 0.113 0.000 2.260 821 Q HA 0.457 4.800 4.340 0.005 0.000 0.238 821 Q C 0.891 176.870 176.000 -0.035 0.000 0.948 821 Q CA -0.621 55.133 55.803 -0.081 0.000 0.895 821 Q CB 0.888 29.301 28.738 -0.542 0.000 1.218 821 Q HN 0.468 nan 8.270 nan 0.000 0.470 822 N N 0.763 119.493 118.700 0.051 0.000 2.327 822 N HA 0.162 4.905 4.740 0.005 0.000 0.231 822 N C -1.104 174.393 175.510 -0.021 0.000 1.130 822 N CA 0.056 53.197 53.050 0.152 0.000 0.845 822 N CB -0.160 38.416 38.487 0.147 0.000 1.073 822 N HN 0.699 nan 8.380 nan 0.000 0.496 823 A N 0.753 123.464 122.820 -0.182 0.000 2.545 823 A HA -0.177 4.146 4.320 0.005 0.000 0.251 823 A C 0.380 177.834 177.584 -0.217 0.000 1.021 823 A CA 0.419 52.291 52.037 -0.275 0.000 0.970 823 A CB -0.116 18.633 19.000 -0.418 0.000 0.842 823 A HN 0.265 nan 8.150 nan 0.000 0.430 824 I N 3.209 123.623 120.570 -0.260 0.000 2.337 824 I HA 0.269 4.442 4.170 0.005 0.000 0.291 824 I C 0.412 176.264 176.117 -0.441 0.000 1.046 824 I CA 0.175 61.280 61.300 -0.325 0.000 1.324 824 I CB 0.524 38.351 38.000 -0.288 0.000 1.409 824 I HN 0.419 nan 8.210 nan 0.000 0.494 825 V N 6.797 126.438 119.914 -0.455 0.000 2.628 825 V HA 0.833 4.956 4.120 0.005 0.000 0.306 825 V C -0.114 175.699 176.094 -0.469 0.000 1.045 825 V CA -0.501 61.553 62.300 -0.409 0.000 0.905 825 V CB 1.955 33.618 31.823 -0.266 0.000 0.997 825 V HN 0.850 nan 8.190 nan 0.000 0.436 826 A N 6.228 128.852 122.820 -0.327 0.000 2.330 826 A HA 0.818 5.141 4.320 0.005 0.000 0.327 826 A C -0.470 177.124 177.584 0.017 0.000 1.155 826 A CA -0.534 51.436 52.037 -0.112 0.000 0.803 826 A CB 0.873 19.870 19.000 -0.004 0.000 1.208 826 A HN 0.894 nan 8.150 nan 0.000 0.477 827 I N 1.290 121.924 120.570 0.107 0.000 3.064 827 I HA 0.513 4.686 4.170 0.005 0.000 0.340 827 I C 0.398 176.576 176.117 0.102 0.000 1.405 827 I CA 0.091 61.452 61.300 0.101 0.000 0.912 827 I CB 0.520 38.580 38.000 0.100 0.000 1.993 827 I HN 0.513 nan 8.210 nan 0.000 0.547 828 A N 0.429 123.323 122.820 0.125 0.000 2.380 828 A HA 0.666 4.989 4.320 0.005 0.000 0.315 828 A C -0.342 177.340 177.584 0.165 0.000 1.101 828 A CA -0.485 51.636 52.037 0.141 0.000 0.771 828 A CB 1.044 20.151 19.000 0.177 0.000 1.287 828 A HN 0.424 nan 8.150 nan 0.000 0.436 829 C N 1.745 121.131 119.300 0.143 0.000 2.657 829 C HA 0.414 4.877 4.460 0.005 0.000 0.404 829 C C 0.048 175.191 174.990 0.254 0.000 1.369 829 C CA 0.520 59.634 59.018 0.159 0.000 1.665 829 C CB -2.369 25.423 27.740 0.088 0.000 2.453 829 C HN 0.708 nan 8.230 nan 0.000 0.599 830 Y N 1.903 122.280 120.300 0.128 0.000 2.698 830 Y HA 0.514 5.066 4.550 0.005 0.000 0.332 830 Y C 1.513 177.537 175.900 0.206 0.000 1.119 830 Y CA 0.598 58.801 58.100 0.173 0.000 1.109 830 Y CB 1.267 39.846 38.460 0.199 0.000 1.308 830 Y HN 0.791 nan 8.280 nan 0.000 0.499 831 S N 0.241 115.987 115.700 0.077 0.000 2.746 831 S HA -0.375 4.098 4.470 0.005 0.000 0.509 831 S C 1.238 175.935 174.600 0.161 0.000 1.019 831 S CA 2.315 60.672 58.200 0.262 0.000 3.072 831 S CB -1.858 61.823 63.200 0.802 0.000 2.186 831 S HN 2.185 nan 8.310 nan 0.000 0.508 832 G N -1.609 107.293 108.800 0.170 0.000 4.199 832 G HA2 0.250 4.213 3.960 0.005 0.000 0.220 832 G HA3 0.250 4.213 3.960 0.005 0.000 0.220 832 G C 0.268 175.066 174.900 -0.171 0.000 0.841 832 G CA 0.344 45.416 45.100 -0.047 0.000 0.973 832 G HN 0.574 nan 8.290 nan 0.000 0.743 833 Y N 1.268 121.614 120.300 0.077 0.000 2.500 833 Y HA 0.157 4.710 4.550 0.005 0.000 0.284 833 Y C 1.855 177.778 175.900 0.038 0.000 1.118 833 Y CA 0.599 58.719 58.100 0.034 0.000 1.241 833 Y CB -0.025 38.426 38.460 -0.015 0.000 1.171 833 Y HN 0.404 nan 8.280 nan 0.000 0.540 834 N N 1.500 120.334 118.700 0.224 0.000 3.007 834 N HA -0.056 4.687 4.740 0.005 0.000 0.329 834 N C -0.432 175.170 175.510 0.153 0.000 1.209 834 N CA 0.086 53.234 53.050 0.164 0.000 1.176 834 N CB -0.228 38.362 38.487 0.171 0.000 1.426 834 N HN 0.401 nan 8.380 nan 0.000 0.554 835 Q N 0.050 119.913 119.800 0.107 0.000 2.309 835 Q HA 0.109 4.452 4.340 0.005 0.000 0.273 835 Q C -0.663 175.339 176.000 0.004 0.000 1.040 835 Q CA -0.580 55.254 55.803 0.052 0.000 0.834 835 Q CB 1.435 30.184 28.738 0.018 0.000 1.345 835 Q HN 0.253 nan 8.270 nan 0.000 0.414 836 E N 1.116 121.289 120.200 -0.046 0.000 4.459 836 E HA -0.204 4.149 4.350 0.005 0.000 0.312 836 E C -0.388 176.194 176.600 -0.029 0.000 0.670 836 E CA 1.832 58.200 56.400 -0.052 0.000 1.781 836 E CB -0.677 29.000 29.700 -0.039 0.000 1.823 836 E HN 0.876 nan 8.360 nan 0.000 0.453 837 D N -2.807 117.593 120.400 0.001 0.000 4.406 837 D HA -0.064 4.579 4.640 0.005 0.000 0.141 837 D C -0.179 176.138 176.300 0.029 0.000 0.396 837 D CA 0.915 54.918 54.000 0.005 0.000 0.594 837 D CB -1.023 39.765 40.800 -0.020 0.000 1.634 837 D HN 0.177 nan 8.370 nan 0.000 0.051 838 S N 1.045 116.770 115.700 0.042 0.000 2.639 838 S HA 0.280 4.753 4.470 0.005 0.000 0.252 838 S C 0.828 175.458 174.600 0.051 0.000 1.413 838 S CA 0.386 58.621 58.200 0.058 0.000 0.974 838 S CB 0.152 63.414 63.200 0.103 0.000 0.899 838 S HN 0.421 nan 8.310 nan 0.000 0.562 839 M N -0.960 118.656 119.600 0.027 0.000 2.284 839 M HA 0.489 4.972 4.480 0.005 0.000 0.229 839 M C -1.740 174.511 176.300 -0.083 0.000 0.984 839 M CA -0.437 54.856 55.300 -0.011 0.000 1.016 839 M CB 0.306 32.908 32.600 0.003 0.000 2.379 839 M HN 0.382 nan 8.290 nan 0.000 0.459 840 I N 3.854 124.353 120.570 -0.118 0.000 2.556 840 I HA 0.311 4.484 4.170 0.005 0.000 0.284 840 I C 0.165 176.151 176.117 -0.217 0.000 1.114 840 I CA 0.423 61.575 61.300 -0.246 0.000 1.418 840 I CB 0.912 38.750 38.000 -0.270 0.000 1.394 840 I HN 0.796 nan 8.210 nan 0.000 0.552 841 M N 4.672 124.140 119.600 -0.220 0.000 2.821 841 M HA 0.348 4.831 4.480 0.005 0.000 0.294 841 M C -0.521 175.711 176.300 -0.113 0.000 1.195 841 M CA -0.876 54.324 55.300 -0.167 0.000 0.784 841 M CB 2.014 34.527 32.600 -0.146 0.000 1.755 841 M HN 0.462 nan 8.290 nan 0.000 0.477 842 N N 1.131 119.776 118.700 -0.091 0.000 2.955 842 N HA 0.082 4.825 4.740 0.005 0.000 0.242 842 N C 0.453 175.948 175.510 -0.026 0.000 1.123 842 N CA -0.065 52.956 53.050 -0.050 0.000 0.949 842 N CB 0.611 39.057 38.487 -0.068 0.000 1.214 842 N HN 0.456 nan 8.380 nan 0.000 0.504 843 Q N 1.018 120.822 119.800 0.006 0.000 2.124 843 Q HA -0.250 4.093 4.340 0.005 0.000 0.215 843 Q C 1.301 177.300 176.000 -0.001 0.000 1.015 843 Q CA 2.516 58.326 55.803 0.012 0.000 0.890 843 Q CB -0.613 28.150 28.738 0.041 0.000 0.966 843 Q HN 0.748 nan 8.270 nan 0.000 0.412 844 S N -0.620 115.078 115.700 -0.005 0.000 2.474 844 S HA -0.106 4.367 4.470 0.005 0.000 0.235 844 S C 1.980 176.560 174.600 -0.035 0.000 0.997 844 S CA 1.230 59.419 58.200 -0.017 0.000 0.949 844 S CB -0.409 62.779 63.200 -0.020 0.000 0.766 844 S HN 0.468 nan 8.310 nan 0.000 0.517 845 S N 2.087 117.758 115.700 -0.047 0.000 2.383 845 S HA -0.007 4.466 4.470 0.005 0.000 0.227 845 S C 1.736 176.295 174.600 -0.069 0.000 1.026 845 S CA 0.746 58.901 58.200 -0.075 0.000 0.981 845 S CB -0.697 62.439 63.200 -0.106 0.000 0.818 845 S HN 0.495 nan 8.310 nan 0.000 0.472 846 I N 2.791 123.337 120.570 -0.040 0.000 2.252 846 I HA -0.147 4.026 4.170 0.005 0.000 0.245 846 I C 2.092 178.208 176.117 -0.001 0.000 1.102 846 I CA 1.541 62.835 61.300 -0.010 0.000 1.385 846 I CB -0.482 37.526 38.000 0.013 0.000 1.064 846 I HN 0.270 nan 8.210 nan 0.000 0.414 847 D N 0.827 121.225 120.400 -0.004 0.000 2.106 847 D HA -0.200 4.443 4.640 0.005 0.000 0.191 847 D C 2.172 178.467 176.300 -0.008 0.000 0.997 847 D CA 1.090 55.092 54.000 0.003 0.000 0.834 847 D CB -0.605 40.194 40.800 -0.001 0.000 0.956 847 D HN 0.194 nan 8.370 nan 0.000 0.448 848 R N -0.150 120.326 120.500 -0.040 0.000 2.133 848 R HA -0.144 4.200 4.340 0.005 0.000 0.245 848 R C 1.750 177.983 176.300 -0.110 0.000 1.137 848 R CA 1.990 58.044 56.100 -0.077 0.000 0.947 848 R CB -0.561 29.679 30.300 -0.100 0.000 0.865 848 R HN 0.496 nan 8.270 nan 0.000 0.437 849 G N -1.312 107.430 108.800 -0.096 0.000 4.106 849 G HA2 -0.104 3.859 3.960 0.005 0.000 0.220 849 G HA3 -0.104 3.859 3.960 0.005 0.000 0.220 849 G C -0.484 174.400 174.900 -0.027 0.000 0.853 849 G CA -0.547 44.503 45.100 -0.083 0.000 0.920 849 G HN 0.138 nan 8.290 nan 0.000 0.715 850 L N 1.837 123.010 121.223 -0.083 0.000 2.562 850 L HA 0.560 4.903 4.340 0.005 0.000 0.271 850 L C 0.934 177.843 176.870 0.065 0.000 1.167 850 L CA 0.811 55.573 54.840 -0.130 0.000 0.917 850 L CB -1.047 40.872 42.059 -0.233 0.000 1.187 850 L HN 0.440 nan 8.230 nan 0.000 0.482 851 F N 2.607 122.581 119.950 0.039 0.000 2.926 851 F HA -0.285 4.245 4.527 0.005 0.000 0.288 851 F C 1.025 176.860 175.800 0.058 0.000 0.756 851 F CA -0.055 57.995 58.000 0.083 0.000 1.292 851 F CB -0.620 38.428 39.000 0.081 0.000 1.482 851 F HN 0.584 nan 8.300 nan 0.000 0.400 852 R N 0.993 121.585 120.500 0.154 0.000 2.582 852 R HA 0.471 4.814 4.340 0.005 0.000 0.271 852 R C 0.423 176.577 176.300 -0.243 0.000 1.078 852 R CA 0.675 56.661 56.100 -0.190 0.000 1.127 852 R CB 1.380 31.378 30.300 -0.503 0.000 1.038 852 R HN 0.217 nan 8.270 nan 0.000 0.500 853 S N 1.775 117.263 115.700 -0.354 0.000 2.632 853 S HA 0.567 5.040 4.470 0.005 0.000 0.289 853 S C -0.388 174.200 174.600 -0.020 0.000 1.115 853 S CA -1.037 57.110 58.200 -0.089 0.000 0.889 853 S CB 1.425 64.618 63.200 -0.010 0.000 1.116 853 S HN 0.363 nan 8.310 nan 0.000 0.486 854 L N 1.292 122.682 121.223 0.278 0.000 2.358 854 L HA 0.711 5.054 4.340 0.005 0.000 0.268 854 L C -1.117 175.959 176.870 0.343 0.000 1.032 854 L CA -0.874 54.164 54.840 0.331 0.000 0.805 854 L CB 1.481 43.837 42.059 0.495 0.000 1.253 854 L HN 0.818 nan 8.230 nan 0.000 0.452 855 F N 1.666 121.658 119.950 0.071 0.000 2.585 855 F HA 0.537 5.066 4.527 0.003 0.000 0.319 855 F C -1.685 174.148 175.800 0.055 0.000 1.165 855 F CA -0.837 57.222 58.000 0.098 0.000 0.949 855 F CB 1.175 40.189 39.000 0.023 0.000 1.218 855 F HN 0.052 nan 8.300 nan 0.000 0.453 856 F N 6.050 125.675 119.950 -0.542 0.000 2.477 856 F HA 0.596 5.128 4.527 0.007 0.000 0.335 856 F C -0.118 175.294 175.800 -0.646 0.000 1.130 856 F CA -0.667 57.072 58.000 -0.435 0.000 0.948 856 F CB 1.571 40.482 39.000 -0.149 0.000 1.154 856 F HN 0.379 nan 8.300 nan 0.000 0.439 857 R N 2.458 122.710 120.500 -0.414 0.000 2.451 857 R HA 0.467 4.810 4.340 0.005 0.000 0.307 857 R C -0.851 175.464 176.300 0.025 0.000 0.965 857 R CA -0.315 55.603 56.100 -0.303 0.000 0.865 857 R CB 1.958 32.051 30.300 -0.346 0.000 1.174 857 R HN 0.669 nan 8.270 nan 0.000 0.455 858 S N 2.786 118.479 115.700 -0.011 0.000 2.584 858 S HA 0.420 4.893 4.470 0.005 0.000 0.273 858 S C -1.036 173.569 174.600 0.008 0.000 1.311 858 S CA -0.007 58.232 58.200 0.065 0.000 1.034 858 S CB 0.507 63.715 63.200 0.013 0.000 0.939 858 S HN 0.338 nan 8.310 nan 0.000 0.513 859 Y N 1.249 121.513 120.300 -0.060 0.000 2.477 859 Y HA 0.620 5.175 4.550 0.007 0.000 0.347 859 Y C 0.089 175.943 175.900 -0.077 0.000 0.981 859 Y CA -0.883 57.182 58.100 -0.058 0.000 1.033 859 Y CB 1.599 40.019 38.460 -0.066 0.000 1.245 859 Y HN 0.408 nan 8.280 nan 0.000 0.455 860 M N 2.727 122.354 119.600 0.046 0.000 2.501 860 M HA 0.497 4.980 4.480 0.005 0.000 0.293 860 M C -2.061 174.247 176.300 0.012 0.000 1.192 860 M CA -0.245 55.042 55.300 -0.022 0.000 0.886 860 M CB 2.388 34.990 32.600 0.004 0.000 1.710 860 M HN 0.867 nan 8.290 nan 0.000 0.457 861 D N 1.030 121.419 120.400 -0.018 0.000 2.692 861 D HA 0.561 5.204 4.640 0.005 0.000 0.290 861 D C -1.690 174.733 176.300 0.206 0.000 1.281 861 D CA 0.032 54.100 54.000 0.112 0.000 0.804 861 D CB 1.965 42.871 40.800 0.177 0.000 1.331 861 D HN 0.676 nan 8.370 nan 0.000 0.432 862 Q N -0.297 119.653 119.800 0.250 0.000 2.814 862 Q HA 0.417 4.760 4.340 0.005 0.000 0.322 862 Q C -1.279 174.752 176.000 0.052 0.000 0.888 862 Q CA -0.715 55.229 55.803 0.235 0.000 0.768 862 Q CB 2.389 31.255 28.738 0.213 0.000 1.443 862 Q HN 0.228 nan 8.270 nan 0.000 0.497 863 E N 1.703 121.886 120.200 -0.029 0.000 2.176 863 E HA 0.334 4.687 4.350 0.005 0.000 0.267 863 E C -1.301 175.248 176.600 -0.084 0.000 0.893 863 E CA -0.558 55.747 56.400 -0.158 0.000 0.761 863 E CB 2.013 31.561 29.700 -0.254 0.000 1.133 863 E HN 0.611 nan 8.360 nan 0.000 0.409 864 K N 1.953 122.306 120.400 -0.079 0.000 0.920 864 K HA -0.271 4.052 4.320 0.005 0.000 0.792 864 K C -1.327 175.254 176.600 -0.031 0.000 1.965 864 K CA 0.840 57.097 56.287 -0.050 0.000 1.409 864 K CB -0.154 32.310 32.500 -0.059 0.000 2.594 864 K HN 0.484 nan 8.250 nan 0.000 0.329 865 K N -0.250 120.141 120.400 -0.015 0.000 2.466 865 K HA 0.288 4.611 4.320 0.005 0.000 0.260 865 K C -1.005 175.611 176.600 0.027 0.000 1.011 865 K CA -0.945 55.343 56.287 0.002 0.000 0.871 865 K CB 0.983 33.514 32.500 0.051 0.000 1.404 865 K HN 0.451 nan 8.250 nan 0.000 0.450 866 Y N 0.440 120.745 120.300 0.008 0.000 2.705 866 Y HA -0.074 4.479 4.550 0.005 0.000 0.404 866 Y C 0.616 176.519 175.900 0.006 0.000 1.302 866 Y CA 1.416 59.520 58.100 0.008 0.000 1.705 866 Y CB -0.017 38.450 38.460 0.011 0.000 1.165 866 Y HN 0.563 nan 8.280 nan 0.000 0.489 867 G N 4.419 113.293 108.800 0.123 0.000 2.662 867 G HA2 0.533 4.496 3.960 0.005 0.000 0.302 867 G HA3 0.533 4.496 3.960 0.005 0.000 0.302 867 G C -0.205 174.739 174.900 0.073 0.000 1.389 867 G CA -0.848 44.301 45.100 0.081 0.000 0.998 867 G HN 0.616 nan 8.290 nan 0.000 0.502 868 M N 1.341 120.981 119.600 0.066 0.000 2.289 868 M HA 0.144 4.627 4.480 0.005 0.000 0.335 868 M C 1.438 177.758 176.300 0.033 0.000 0.961 868 M CA 0.218 55.548 55.300 0.050 0.000 1.018 868 M CB 1.277 33.912 32.600 0.058 0.000 1.678 868 M HN 0.573 nan 8.290 nan 0.000 0.589 869 S N -0.638 115.081 115.700 0.031 0.000 2.744 869 S HA 0.463 4.936 4.470 0.005 0.000 0.265 869 S C 0.181 174.792 174.600 0.017 0.000 1.065 869 S CA -0.443 57.770 58.200 0.022 0.000 1.191 869 S CB 0.623 63.836 63.200 0.022 0.000 1.150 869 S HN 0.256 nan 8.310 nan 0.000 0.646 870 I N 1.811 122.393 120.570 0.019 0.000 2.569 870 I HA 0.534 4.707 4.170 0.005 0.000 0.290 870 I C -1.344 174.774 176.117 0.001 0.000 1.088 870 I CA -0.158 61.148 61.300 0.011 0.000 1.047 870 I CB 2.598 40.608 38.000 0.016 0.000 1.237 870 I HN -0.009 nan 8.210 nan 0.000 0.421 871 T N 3.907 118.453 114.554 -0.013 0.000 3.172 871 T HA 0.270 4.623 4.350 0.005 0.000 0.320 871 T C -0.731 173.937 174.700 -0.054 0.000 1.085 871 T CA -0.771 61.310 62.100 -0.033 0.000 1.052 871 T CB 1.690 70.538 68.868 -0.032 0.000 1.107 871 T HN 0.437 nan 8.240 nan 0.000 0.458 872 E N 1.733 121.884 120.200 -0.082 0.000 2.373 872 E HA 0.545 4.898 4.350 0.005 0.000 0.263 872 E C -0.119 176.361 176.600 -0.199 0.000 1.073 872 E CA -0.247 56.080 56.400 -0.122 0.000 0.894 872 E CB 0.809 30.430 29.700 -0.132 0.000 1.008 872 E HN 0.591 nan 8.360 nan 0.000 0.420 873 T N 0.992 115.421 114.554 -0.208 0.000 2.865 873 T HA 0.456 4.809 4.350 0.005 0.000 0.294 873 T C -0.791 173.796 174.700 -0.189 0.000 1.119 873 T CA -0.731 61.253 62.100 -0.193 0.000 1.007 873 T CB 0.697 69.534 68.868 -0.052 0.000 1.225 873 T HN 0.262 nan 8.240 nan 0.000 0.515 874 F N 1.795 121.761 119.950 0.028 0.000 2.427 874 F HA 0.532 5.062 4.527 0.005 0.000 0.348 874 F C 0.497 176.313 175.800 0.027 0.000 1.125 874 F CA -0.687 57.330 58.000 0.028 0.000 0.989 874 F CB 1.235 40.249 39.000 0.024 0.000 1.165 874 F HN 0.675 nan 8.300 nan 0.000 0.442 875 E N 2.167 122.519 120.200 0.254 0.000 2.388 875 E HA 0.188 4.541 4.350 0.005 0.000 0.280 875 E C -1.726 174.949 176.600 0.125 0.000 1.019 875 E CA -1.340 55.145 56.400 0.141 0.000 0.806 875 E CB 1.971 31.729 29.700 0.097 0.000 1.246 875 E HN 0.349 nan 8.360 nan 0.000 0.443 876 K N 2.673 123.127 120.400 0.090 0.000 2.250 876 K HA 0.270 4.593 4.320 0.005 0.000 0.285 876 K C -2.168 174.454 176.600 0.037 0.000 1.097 876 K CA -1.306 55.039 56.287 0.096 0.000 0.913 876 K CB 0.326 32.876 32.500 0.083 0.000 1.179 876 K HN 0.347 nan 8.250 nan 0.000 0.462 877 P HA 0.243 nan 4.420 nan 0.000 0.306 877 P C -1.257 175.951 177.300 -0.153 0.000 1.309 877 P CA -0.374 62.688 63.100 -0.065 0.000 0.759 877 P CB 0.694 32.364 31.700 -0.050 0.000 1.314 878 Q N -2.993 116.729 119.800 -0.130 0.000 2.832 878 Q HA 0.388 4.731 4.340 0.005 0.000 0.322 878 Q C 0.618 176.560 176.000 -0.097 0.000 0.842 878 Q CA -1.114 54.607 55.803 -0.136 0.000 0.780 878 Q CB 0.503 29.187 28.738 -0.089 0.000 1.411 878 Q HN -0.055 nan 8.270 nan 0.000 0.490 879 R N 0.558 121.009 120.500 -0.081 0.000 2.474 879 R HA -0.174 4.169 4.340 0.005 0.000 0.204 879 R C 0.259 176.535 176.300 -0.040 0.000 1.005 879 R CA 2.314 58.380 56.100 -0.057 0.000 0.764 879 R CB -2.388 27.886 30.300 -0.043 0.000 0.800 879 R HN 1.136 nan 8.270 nan 0.000 0.419 880 T N 1.217 115.753 114.554 -0.029 0.000 4.039 880 T HA -0.173 4.180 4.350 0.005 0.000 0.352 880 T C 0.104 174.796 174.700 -0.014 0.000 0.756 880 T CA 0.929 63.018 62.100 -0.019 0.000 1.923 880 T CB -1.418 67.440 68.868 -0.016 0.000 1.848 880 T HN 0.556 nan 8.240 nan 0.000 0.835 881 N N -2.664 116.027 118.700 -0.014 0.000 2.967 881 N HA -0.179 4.564 4.740 0.005 0.000 0.212 881 N C 1.045 176.550 175.510 -0.008 0.000 0.884 881 N CA 1.820 54.864 53.050 -0.009 0.000 1.030 881 N CB -1.733 36.751 38.487 -0.005 0.000 1.018 881 N HN 0.631 nan 8.380 nan 0.000 0.596 882 T N 1.153 115.701 114.554 -0.010 0.000 2.983 882 T HA 0.198 4.551 4.350 0.005 0.000 0.250 882 T C 1.029 175.726 174.700 -0.006 0.000 1.037 882 T CA 0.654 62.752 62.100 -0.004 0.000 1.142 882 T CB -0.035 68.832 68.868 -0.001 0.000 0.876 882 T HN 0.399 nan 8.240 nan 0.000 0.455 883 L N 1.215 122.428 121.223 -0.016 0.000 4.060 883 L HA -0.215 4.128 4.340 0.005 0.000 0.467 883 L C 0.258 177.125 176.870 -0.005 0.000 1.157 883 L CA 0.477 55.305 54.840 -0.020 0.000 0.719 883 L CB -1.658 40.386 42.059 -0.025 0.000 1.606 883 L HN 0.133 nan 8.230 nan 0.000 0.822 884 R N 1.268 121.773 120.500 0.008 0.000 3.026 884 R HA 0.443 4.786 4.340 0.005 0.000 0.317 884 R C -0.196 176.136 176.300 0.054 0.000 1.278 884 R CA -0.400 55.719 56.100 0.031 0.000 1.407 884 R CB 0.539 30.860 30.300 0.035 0.000 1.368 884 R HN 0.367 nan 8.270 nan 0.000 0.612 885 M N 0.345 119.972 119.600 0.046 0.000 2.537 885 M HA 0.439 4.922 4.480 0.005 0.000 0.324 885 M C 0.127 176.539 176.300 0.186 0.000 1.187 885 M CA -1.191 54.164 55.300 0.092 0.000 0.993 885 M CB 1.159 33.728 32.600 -0.053 0.000 1.666 885 M HN -0.237 nan 8.290 nan 0.000 0.461 886 K N 0.857 121.470 120.400 0.355 0.000 2.344 886 K HA 0.039 4.362 4.320 0.005 0.000 0.260 886 K C 1.335 178.127 176.600 0.320 0.000 0.988 886 K CA 0.373 56.854 56.287 0.323 0.000 0.909 886 K CB 0.253 32.872 32.500 0.197 0.000 0.968 886 K HN 0.520 nan 8.250 nan 0.000 0.505 887 H N 0.101 119.235 119.070 0.106 0.000 2.357 887 H HA -0.051 4.508 4.556 0.004 0.000 0.301 887 H C 1.138 176.515 175.328 0.080 0.000 1.082 887 H CA 0.958 57.054 56.048 0.080 0.000 1.342 887 H CB 0.213 30.001 29.762 0.043 0.000 1.389 887 H HN 0.693 nan 8.280 nan 0.000 0.511 888 G N 0.191 109.083 108.800 0.153 0.000 2.486 888 G HA2 0.021 3.984 3.960 0.005 0.000 0.272 888 G HA3 0.021 3.984 3.960 0.005 0.000 0.272 888 G C -0.331 174.602 174.900 0.054 0.000 1.426 888 G CA -0.371 44.763 45.100 0.057 0.000 1.058 888 G HN 0.137 nan 8.290 nan 0.000 0.531 889 T N 0.590 115.141 114.554 -0.005 0.000 2.739 889 T HA 0.223 4.576 4.350 0.005 0.000 0.298 889 T C 0.450 175.132 174.700 -0.031 0.000 0.929 889 T CA -0.033 62.083 62.100 0.026 0.000 1.014 889 T CB 0.654 69.526 68.868 0.007 0.000 0.914 889 T HN 0.371 nan 8.240 nan 0.000 0.509 890 Y N 1.819 122.120 120.300 0.002 0.000 2.243 890 Y HA -0.079 4.471 4.550 0.000 0.000 0.293 890 Y C 2.290 178.184 175.900 -0.010 0.000 1.124 890 Y CA 0.847 58.946 58.100 -0.002 0.000 1.159 890 Y CB -0.089 38.373 38.460 0.004 0.000 1.008 890 Y HN 0.618 nan 8.280 nan 0.000 0.527 891 D N 0.418 120.903 120.400 0.142 0.000 2.332 891 D HA -0.222 4.421 4.640 0.005 0.000 0.209 891 D C 1.104 177.425 176.300 0.036 0.000 0.988 891 D CA 1.283 55.329 54.000 0.076 0.000 0.912 891 D CB -0.287 40.544 40.800 0.053 0.000 0.899 891 D HN 0.379 nan 8.370 nan 0.000 0.477 892 K N -0.004 120.404 120.400 0.013 0.000 2.546 892 K HA 0.174 4.497 4.320 0.005 0.000 0.198 892 K C 0.219 176.805 176.600 -0.022 0.000 1.028 892 K CA 0.013 56.291 56.287 -0.016 0.000 1.150 892 K CB 0.262 32.738 32.500 -0.040 0.000 0.876 892 K HN 0.092 nan 8.250 nan 0.000 0.508 893 L N 1.381 122.607 121.223 0.005 0.000 2.322 893 L HA 0.305 4.648 4.340 0.005 0.000 0.281 893 L C -0.587 176.291 176.870 0.012 0.000 1.014 893 L CA -1.051 53.791 54.840 0.004 0.000 0.815 893 L CB 1.523 43.604 42.059 0.036 0.000 1.247 893 L HN 0.041 nan 8.230 nan 0.000 0.421 894 D N 0.837 121.234 120.400 -0.006 0.000 2.332 894 D HA 0.124 4.767 4.640 0.005 0.000 0.252 894 D C 0.513 176.816 176.300 0.005 0.000 1.050 894 D CA -0.656 53.343 54.000 -0.001 0.000 0.970 894 D CB 1.080 41.872 40.800 -0.012 0.000 1.141 894 D HN 0.388 nan 8.370 nan 0.000 0.485 895 D N 0.398 120.805 120.400 0.011 0.000 2.218 895 D HA -0.214 4.429 4.640 0.005 0.000 0.194 895 D C 1.205 177.524 176.300 0.031 0.000 1.007 895 D CA 1.490 55.503 54.000 0.022 0.000 0.879 895 D CB -0.059 40.752 40.800 0.019 0.000 0.918 895 D HN 0.590 nan 8.370 nan 0.000 0.449 896 D N -1.208 119.202 120.400 0.017 0.000 2.312 896 D HA 0.041 4.684 4.640 0.005 0.000 0.211 896 D C 1.476 177.780 176.300 0.006 0.000 0.964 896 D CA 1.218 55.232 54.000 0.024 0.000 0.877 896 D CB -0.170 40.631 40.800 0.001 0.000 0.924 896 D HN 0.271 nan 8.370 nan 0.000 0.515 897 G N -0.712 108.079 108.800 -0.015 0.000 2.154 897 G HA2 -0.131 3.832 3.960 0.005 0.000 0.186 897 G HA3 -0.131 3.832 3.960 0.005 0.000 0.186 897 G C -0.215 174.620 174.900 -0.109 0.000 1.000 897 G CA 0.014 45.101 45.100 -0.021 0.000 0.664 897 G HN 0.359 nan 8.290 nan 0.000 0.513 898 L N 0.459 121.609 121.223 -0.122 0.000 2.354 898 L HA 0.736 5.079 4.340 0.005 0.000 0.264 898 L C 0.893 177.701 176.870 -0.104 0.000 1.008 898 L CA -1.705 53.045 54.840 -0.150 0.000 0.819 898 L CB 1.390 43.334 42.059 -0.192 0.000 1.339 898 L HN 0.030 nan 8.230 nan 0.000 0.420 899 I N 0.858 121.359 120.570 -0.115 0.000 3.381 899 I HA 0.391 4.565 4.170 0.005 0.000 0.275 899 I C 0.535 176.599 176.117 -0.089 0.000 1.252 899 I CA 0.316 61.557 61.300 -0.099 0.000 1.292 899 I CB 0.066 37.993 38.000 -0.121 0.000 1.396 899 I HN 0.640 nan 8.210 nan 0.000 0.637 900 A N 2.266 125.042 122.820 -0.073 0.000 2.393 900 A HA 0.709 5.032 4.320 0.005 0.000 0.306 900 A C -1.887 175.660 177.584 -0.060 0.000 1.050 900 A CA -1.499 50.500 52.037 -0.062 0.000 0.724 900 A CB 0.968 19.940 19.000 -0.047 0.000 1.248 900 A HN 0.570 nan 8.150 nan 0.000 0.424 901 P HA -0.284 nan 4.420 nan 0.000 0.223 901 P C 1.541 178.812 177.300 -0.048 0.000 1.153 901 P CA 2.363 65.432 63.100 -0.051 0.000 0.832 901 P CB 0.150 31.827 31.700 -0.038 0.000 0.762 902 G N -1.065 107.709 108.800 -0.044 0.000 2.424 902 G HA2 -0.098 3.865 3.960 0.005 0.000 0.214 902 G HA3 -0.098 3.865 3.960 0.005 0.000 0.214 902 G C 0.360 175.234 174.900 -0.043 0.000 1.202 902 G CA 0.268 45.345 45.100 -0.038 0.000 0.793 902 G HN 0.195 nan 8.290 nan 0.000 0.534 903 V N 1.485 121.369 119.914 -0.050 0.000 2.843 903 V HA 0.231 4.354 4.120 0.005 0.000 0.305 903 V C 0.377 176.437 176.094 -0.057 0.000 1.065 903 V CA -0.489 61.782 62.300 -0.050 0.000 1.116 903 V CB 0.898 32.688 31.823 -0.054 0.000 0.968 903 V HN 0.329 nan 8.190 nan 0.000 0.487 904 R N 2.486 122.958 120.500 -0.046 0.000 2.390 904 R HA 0.615 4.958 4.340 0.005 0.000 0.291 904 R C -1.021 175.247 176.300 -0.054 0.000 1.070 904 R CA -0.467 55.605 56.100 -0.046 0.000 1.014 904 R CB 0.946 31.228 30.300 -0.030 0.000 1.007 904 R HN 0.498 nan 8.270 nan 0.000 0.466 905 V N 1.982 121.858 119.914 -0.064 0.000 2.735 905 V HA 0.506 4.629 4.120 0.005 0.000 0.310 905 V C -0.423 175.640 176.094 -0.052 0.000 1.061 905 V CA -0.446 61.810 62.300 -0.074 0.000 0.913 905 V CB 2.122 33.874 31.823 -0.118 0.000 1.005 905 V HN 0.986 nan 8.190 nan 0.000 0.428 906 S N 1.359 117.034 115.700 -0.042 0.000 2.672 906 S HA 0.904 5.377 4.470 0.005 0.000 0.271 906 S C 0.154 174.741 174.600 -0.022 0.000 1.171 906 S CA -0.137 58.049 58.200 -0.022 0.000 0.817 906 S CB 1.292 64.486 63.200 -0.011 0.000 1.150 906 S HN 1.812 nan 8.310 nan 0.000 0.478 907 G N 1.888 110.683 108.800 -0.008 0.000 2.578 907 G HA2 -0.263 3.700 3.960 0.005 0.000 0.275 907 G HA3 -0.263 3.700 3.960 0.005 0.000 0.275 907 G C -0.134 174.759 174.900 -0.013 0.000 1.271 907 G CA 0.474 45.571 45.100 -0.006 0.000 0.941 907 G HN 1.173 nan 8.290 nan 0.000 0.564 908 E N 0.609 120.802 120.200 -0.012 0.000 2.351 908 E HA 0.337 4.690 4.350 0.005 0.000 0.236 908 E C -0.396 176.169 176.600 -0.058 0.000 1.341 908 E CA -0.175 56.211 56.400 -0.024 0.000 1.579 908 E CB -0.148 29.548 29.700 -0.008 0.000 1.393 908 E HN 0.381 nan 8.360 nan 0.000 0.438 909 D N 1.256 121.614 120.400 -0.070 0.000 2.478 909 D HA -0.022 4.621 4.640 0.005 0.000 0.234 909 D C 0.040 176.238 176.300 -0.171 0.000 1.154 909 D CA 0.102 54.037 54.000 -0.109 0.000 0.874 909 D CB 1.051 41.790 40.800 -0.102 0.000 1.198 909 D HN 0.004 nan 8.370 nan 0.000 0.455 910 V N 2.636 122.400 119.914 -0.249 0.000 2.743 910 V HA 0.274 4.398 4.120 0.005 0.000 0.301 910 V C 1.345 177.309 176.094 -0.216 0.000 1.057 910 V CA -0.307 61.804 62.300 -0.315 0.000 1.006 910 V CB 1.682 33.122 31.823 -0.640 0.000 1.024 910 V HN 0.505 nan 8.190 nan 0.000 0.473 911 I N 1.831 122.288 120.570 -0.189 0.000 4.530 911 I HA 0.376 4.549 4.170 0.005 0.000 0.318 911 I C -0.179 175.846 176.117 -0.154 0.000 1.257 911 I CA 0.556 61.741 61.300 -0.191 0.000 1.301 911 I CB 0.922 38.756 38.000 -0.276 0.000 1.297 911 I HN 0.406 nan 8.210 nan 0.000 0.451 912 I N 0.318 120.824 120.570 -0.108 0.000 2.610 912 I HA 0.388 4.561 4.170 0.005 0.000 0.289 912 I C -0.246 175.881 176.117 0.017 0.000 1.163 912 I CA -0.534 60.713 61.300 -0.088 0.000 1.044 912 I CB 2.037 39.986 38.000 -0.084 0.000 1.251 912 I HN -0.092 nan 8.210 nan 0.000 0.424 913 G N 4.695 113.541 108.800 0.077 0.000 2.434 913 G HA2 0.875 4.839 3.960 0.005 0.000 0.330 913 G HA3 0.875 4.839 3.960 0.005 0.000 0.330 913 G C -1.289 173.798 174.900 0.312 0.000 1.155 913 G CA -0.408 44.813 45.100 0.202 0.000 0.917 913 G HN 0.699 nan 8.290 nan 0.000 0.493 914 K N -1.404 119.162 120.400 0.277 0.000 2.639 914 K HA 0.586 4.909 4.320 0.005 0.000 0.279 914 K C -1.498 175.170 176.600 0.114 0.000 0.976 914 K CA -0.969 55.459 56.287 0.235 0.000 0.861 914 K CB 1.341 33.976 32.500 0.225 0.000 1.436 914 K HN 0.702 nan 8.250 nan 0.000 0.400 915 T N -1.412 113.170 114.554 0.047 0.000 2.937 915 T HA 0.285 4.638 4.350 0.005 0.000 0.297 915 T C -0.746 173.955 174.700 0.001 0.000 0.991 915 T CA -0.701 61.418 62.100 0.031 0.000 0.990 915 T CB 1.577 70.465 68.868 0.032 0.000 0.991 915 T HN 0.586 nan 8.240 nan 0.000 0.440 916 T N 4.414 118.973 114.554 0.009 0.000 2.811 916 T HA 0.444 4.797 4.350 0.005 0.000 0.309 916 T C -2.668 172.036 174.700 0.006 0.000 1.005 916 T CA -1.882 60.219 62.100 0.002 0.000 0.955 916 T CB -0.261 68.612 68.868 0.008 0.000 0.970 916 T HN 0.359 nan 8.240 nan 0.000 0.496 917 P HA 0.265 nan 4.420 nan 0.000 0.271 917 P C -0.570 176.734 177.300 0.007 0.000 1.380 917 P CA -0.439 62.664 63.100 0.004 0.000 0.992 917 P CB -0.118 31.582 31.700 0.001 0.000 1.230 918 I N 2.132 122.707 120.570 0.009 0.000 2.331 918 I HA 0.250 4.423 4.170 0.005 0.000 0.292 918 I C 1.016 177.139 176.117 0.010 0.000 0.998 918 I CA -0.041 61.266 61.300 0.011 0.000 1.267 918 I CB 1.262 39.270 38.000 0.013 0.000 1.386 918 I HN 0.226 nan 8.210 nan 0.000 0.476 934 K N 2.108 122.508 120.400 0.001 0.000 2.268 934 K HA 0.519 4.842 4.320 0.005 0.000 0.276 934 K C -0.489 176.115 176.600 0.007 0.000 1.080 934 K CA -0.271 56.018 56.287 0.004 0.000 0.910 934 K CB 1.212 33.713 32.500 0.002 0.000 1.163 934 K HN 0.222 nan 8.250 nan 0.000 0.465 935 R N 1.481 121.989 120.500 0.013 0.000 2.582 935 R HA 0.030 4.373 4.340 0.005 0.000 0.271 935 R C -0.239 176.082 176.300 0.034 0.000 1.078 935 R CA -0.214 55.899 56.100 0.022 0.000 1.127 935 R CB 0.521 30.835 30.300 0.024 0.000 1.038 935 R HN 0.553 nan 8.270 nan 0.000 0.500 936 D N 0.322 120.751 120.400 0.048 0.000 2.210 936 D HA 0.337 4.980 4.640 0.005 0.000 0.249 936 D C -0.854 175.500 176.300 0.091 0.000 1.062 936 D CA -0.238 53.810 54.000 0.079 0.000 0.891 936 D CB 1.343 42.204 40.800 0.102 0.000 1.186 936 D HN 0.508 nan 8.370 nan 0.000 0.432 937 A N 2.503 125.388 122.820 0.108 0.000 2.843 937 A HA 0.366 4.689 4.320 0.005 0.000 0.248 937 A C 0.061 177.721 177.584 0.126 0.000 0.904 937 A CA -0.452 51.646 52.037 0.102 0.000 1.091 937 A CB -0.476 18.570 19.000 0.077 0.000 1.208 937 A HN 0.496 nan 8.150 nan 0.000 0.476 938 S N -0.015 115.775 115.700 0.149 0.000 2.632 938 S HA 0.625 5.098 4.470 0.005 0.000 0.267 938 S C 0.056 174.698 174.600 0.069 0.000 1.276 938 S CA 0.004 58.281 58.200 0.129 0.000 0.998 938 S CB 0.901 64.202 63.200 0.167 0.000 0.953 938 S HN 0.474 nan 8.310 nan 0.000 0.547 939 T N 1.693 116.267 114.554 0.033 0.000 3.009 939 T HA 0.483 4.836 4.350 0.005 0.000 0.346 939 T C -2.919 171.788 174.700 0.012 0.000 1.092 939 T CA -1.128 60.998 62.100 0.043 0.000 1.080 939 T CB 0.854 69.773 68.868 0.085 0.000 1.037 939 T HN 0.415 nan 8.240 nan 0.000 0.487 940 P HA 0.133 nan 4.420 nan 0.000 0.272 940 P C 0.292 177.611 177.300 0.031 0.000 1.230 940 P CA -0.921 62.156 63.100 -0.038 0.000 0.788 940 P CB 0.595 32.274 31.700 -0.035 0.000 0.949 941 L N 2.168 123.370 121.223 -0.035 0.000 2.483 941 L HA 0.073 4.416 4.340 0.005 0.000 0.275 941 L C 0.590 177.528 176.870 0.114 0.000 1.220 941 L CA 0.048 54.893 54.840 0.009 0.000 0.833 941 L CB 0.036 42.037 42.059 -0.097 0.000 1.102 941 L HN 0.410 nan 8.230 nan 0.000 0.490 942 R N 2.378 123.007 120.500 0.216 0.000 2.526 942 R HA -0.098 4.245 4.340 0.005 0.000 0.319 942 R C 1.567 177.904 176.300 0.063 0.000 0.888 942 R CA 0.753 56.931 56.100 0.129 0.000 1.127 942 R CB -0.243 30.143 30.300 0.144 0.000 0.888 942 R HN 0.762 nan 8.270 nan 0.000 0.410 943 S N 1.377 117.095 115.700 0.030 0.000 2.512 943 S HA -0.172 4.301 4.470 0.005 0.000 0.253 943 S C 1.108 175.716 174.600 0.013 0.000 0.984 943 S CA 1.805 60.011 58.200 0.010 0.000 0.962 943 S CB -0.086 63.108 63.200 -0.009 0.000 0.747 943 S HN 0.610 nan 8.310 nan 0.000 0.525 944 T N 0.053 114.621 114.554 0.023 0.000 3.037 944 T HA 0.292 4.645 4.350 0.005 0.000 0.252 944 T C 0.657 175.373 174.700 0.026 0.000 1.073 944 T CA 0.189 62.300 62.100 0.018 0.000 1.091 944 T CB 0.221 69.097 68.868 0.012 0.000 0.935 944 T HN 0.548 nan 8.240 nan 0.000 0.488 945 E N 1.268 121.496 120.200 0.047 0.000 2.450 945 E HA 0.529 4.882 4.350 0.005 0.000 0.248 945 E C -0.934 175.692 176.600 0.043 0.000 0.930 945 E CA -0.992 55.445 56.400 0.062 0.000 0.854 945 E CB 1.212 30.990 29.700 0.131 0.000 1.355 945 E HN 0.272 nan 8.360 nan 0.000 0.402 946 N N -0.539 118.193 118.700 0.052 0.000 2.935 946 N HA 0.523 5.266 4.740 0.005 0.000 0.248 946 N C -0.902 174.628 175.510 0.032 0.000 1.276 946 N CA -0.230 52.834 53.050 0.024 0.000 0.906 946 N CB 1.573 40.069 38.487 0.015 0.000 1.564 946 N HN 0.675 nan 8.380 nan 0.000 0.500 947 G N -0.105 108.693 108.800 -0.003 0.000 2.361 947 G HA2 0.330 4.293 3.960 0.005 0.000 0.305 947 G HA3 0.330 4.293 3.960 0.005 0.000 0.305 947 G C -2.098 172.767 174.900 -0.058 0.000 1.367 947 G CA -0.848 44.241 45.100 -0.020 0.000 0.951 947 G HN 0.506 nan 8.290 nan 0.000 0.615 948 I N 0.371 120.896 120.570 -0.075 0.000 2.392 948 I HA 0.463 4.636 4.170 0.005 0.000 0.295 948 I C 0.856 176.905 176.117 -0.114 0.000 0.985 948 I CA -0.683 60.567 61.300 -0.084 0.000 1.221 948 I CB 1.806 39.765 38.000 -0.068 0.000 1.366 948 I HN 0.389 nan 8.210 nan 0.000 0.467 949 V N 5.753 125.603 119.914 -0.107 0.000 2.655 949 V HA 0.044 4.167 4.120 0.005 0.000 0.300 949 V C 0.746 176.786 176.094 -0.091 0.000 1.044 949 V CA 0.220 62.452 62.300 -0.113 0.000 1.095 949 V CB 0.897 32.654 31.823 -0.111 0.000 0.952 949 V HN 0.831 nan 8.190 nan 0.000 0.485 950 D N 2.183 122.536 120.400 -0.080 0.000 2.943 950 D HA 0.122 4.765 4.640 0.005 0.000 0.282 950 D C 0.527 176.820 176.300 -0.012 0.000 1.148 950 D CA 0.599 54.574 54.000 -0.041 0.000 1.006 950 D CB 0.906 41.696 40.800 -0.018 0.000 1.168 950 D HN 0.676 nan 8.370 nan 0.000 0.450 951 Q N -0.029 119.769 119.800 -0.003 0.000 2.458 951 Q HA 0.559 4.902 4.340 0.005 0.000 0.282 951 Q C -1.066 174.912 176.000 -0.036 0.000 1.106 951 Q CA -0.841 54.956 55.803 -0.010 0.000 0.814 951 Q CB 3.422 32.168 28.738 0.012 0.000 1.425 951 Q HN -0.078 nan 8.270 nan 0.000 0.437 952 V N 1.196 121.081 119.914 -0.047 0.000 3.096 952 V HA 0.600 4.723 4.120 0.005 0.000 0.319 952 V C -0.897 175.163 176.094 -0.058 0.000 1.103 952 V CA -0.843 61.414 62.300 -0.071 0.000 1.016 952 V CB 1.907 33.676 31.823 -0.091 0.000 1.090 952 V HN 0.612 nan 8.190 nan 0.000 0.449 953 L N 1.849 123.022 121.223 -0.082 0.000 2.555 953 L HA 0.559 4.902 4.340 0.005 0.000 0.264 953 L C -1.344 175.473 176.870 -0.087 0.000 0.972 953 L CA -0.236 54.567 54.840 -0.062 0.000 0.876 953 L CB 1.656 43.688 42.059 -0.045 0.000 1.216 953 L HN 0.454 nan 8.230 nan 0.000 0.415 954 V N 3.482 123.373 119.914 -0.037 0.000 2.394 954 V HA 0.772 4.895 4.120 0.005 0.000 0.282 954 V C 0.116 176.257 176.094 0.078 0.000 1.031 954 V CA -0.060 62.237 62.300 -0.005 0.000 0.881 954 V CB 1.370 33.191 31.823 -0.004 0.000 0.982 954 V HN 0.850 nan 8.190 nan 0.000 0.451 955 T N 2.169 116.824 114.554 0.169 0.000 2.711 955 T HA 0.435 4.788 4.350 0.005 0.000 0.302 955 T C -0.612 174.281 174.700 0.322 0.000 1.373 955 T CA -0.512 61.737 62.100 0.249 0.000 1.000 955 T CB 2.104 71.167 68.868 0.324 0.000 1.483 955 T HN 0.676 nan 8.240 nan 0.000 0.499 956 T N 0.697 115.374 114.554 0.206 0.000 2.932 956 T HA 0.655 5.008 4.350 0.005 0.000 0.289 956 T C -0.860 173.817 174.700 -0.039 0.000 1.039 956 T CA -0.699 61.474 62.100 0.122 0.000 1.024 956 T CB 1.294 70.203 68.868 0.067 0.000 1.090 956 T HN 0.658 nan 8.240 nan 0.000 0.496 957 N N 1.492 120.129 118.700 -0.105 0.000 2.430 957 N HA 0.312 5.055 4.740 0.005 0.000 0.298 957 N C 1.281 176.723 175.510 -0.113 0.000 1.130 957 N CA -0.376 52.546 53.050 -0.214 0.000 0.894 957 N CB 1.233 39.561 38.487 -0.265 0.000 1.209 957 N HN 0.684 nan 8.380 nan 0.000 0.503 958 Q N 0.215 119.950 119.800 -0.110 0.000 2.146 958 Q HA -0.284 4.059 4.340 0.005 0.000 0.217 958 Q C 0.139 176.111 176.000 -0.047 0.000 1.023 958 Q CA 2.182 57.947 55.803 -0.062 0.000 0.903 958 Q CB -0.204 28.505 28.738 -0.048 0.000 0.990 958 Q HN 0.681 nan 8.270 nan 0.000 0.413 959 D N -1.144 119.221 120.400 -0.058 0.000 2.332 959 D HA 0.068 4.711 4.640 0.005 0.000 0.244 959 D C -0.020 176.245 176.300 -0.058 0.000 1.136 959 D CA 0.862 54.826 54.000 -0.060 0.000 0.884 959 D CB -0.400 40.349 40.800 -0.085 0.000 0.906 959 D HN 0.472 nan 8.370 nan 0.000 0.520 960 G N 0.809 109.585 108.800 -0.040 0.000 2.401 960 G HA2 -0.230 3.733 3.960 0.005 0.000 0.283 960 G HA3 -0.230 3.733 3.960 0.005 0.000 0.283 960 G C -0.168 174.722 174.900 -0.018 0.000 1.117 960 G CA -0.207 44.879 45.100 -0.023 0.000 1.051 960 G HN 0.331 nan 8.290 nan 0.000 0.510 961 L N 0.177 121.396 121.223 -0.006 0.000 2.342 961 L HA 0.403 4.746 4.340 0.005 0.000 0.276 961 L C 0.767 177.706 176.870 0.115 0.000 0.997 961 L CA -0.999 53.856 54.840 0.025 0.000 0.838 961 L CB 1.752 43.814 42.059 0.005 0.000 1.224 961 L HN 0.271 nan 8.230 nan 0.000 0.416 962 K N 4.114 124.587 120.400 0.122 0.000 2.402 962 K HA 0.120 4.443 4.320 0.005 0.000 0.279 962 K C -1.053 175.770 176.600 0.372 0.000 1.082 962 K CA 0.359 56.780 56.287 0.222 0.000 1.080 962 K CB 0.155 32.756 32.500 0.167 0.000 0.899 962 K HN 0.398 nan 8.250 nan 0.000 0.469 963 F N 4.477 124.547 119.950 0.201 0.000 2.574 963 F HA 0.474 5.005 4.527 0.007 0.000 0.313 963 F C -1.634 174.251 175.800 0.143 0.000 1.130 963 F CA -0.887 57.220 58.000 0.178 0.000 0.936 963 F CB 1.159 40.219 39.000 0.099 0.000 1.219 963 F HN 0.114 nan 8.300 nan 0.000 0.445 964 V N 4.496 124.129 119.914 -0.468 0.000 3.019 964 V HA 0.576 4.699 4.120 0.005 0.000 0.317 964 V C -0.819 174.920 176.094 -0.592 0.000 1.094 964 V CA -1.102 60.928 62.300 -0.450 0.000 1.000 964 V CB 2.203 33.844 31.823 -0.304 0.000 1.060 964 V HN 0.746 nan 8.190 nan 0.000 0.443 965 K N 1.573 121.756 120.400 -0.363 0.000 2.764 965 K HA 0.466 4.789 4.320 0.005 0.000 0.239 965 K C -1.623 174.912 176.600 -0.109 0.000 1.048 965 K CA -0.280 55.870 56.287 -0.227 0.000 1.057 965 K CB 1.930 34.311 32.500 -0.198 0.000 1.251 965 K HN 0.470 nan 8.250 nan 0.000 0.524 966 V N 3.597 123.471 119.914 -0.066 0.000 2.432 966 V HA 0.330 4.453 4.120 0.005 0.000 0.271 966 V C 0.243 176.345 176.094 0.013 0.000 1.046 966 V CA -0.483 61.778 62.300 -0.065 0.000 0.945 966 V CB 1.009 32.752 31.823 -0.133 0.000 0.992 966 V HN 0.574 nan 8.190 nan 0.000 0.471 967 R N 4.460 124.959 120.500 -0.002 0.000 2.514 967 R HA 0.780 5.123 4.340 0.005 0.000 0.301 967 R C -1.594 174.685 176.300 -0.035 0.000 0.962 967 R CA -0.442 55.687 56.100 0.050 0.000 0.882 967 R CB 1.910 32.260 30.300 0.085 0.000 1.143 967 R HN 0.477 nan 8.270 nan 0.000 0.452 968 V N 3.538 123.417 119.914 -0.057 0.000 2.919 968 V HA 0.618 4.742 4.120 0.005 0.000 0.316 968 V C -0.298 175.664 176.094 -0.220 0.000 1.077 968 V CA -1.021 61.189 62.300 -0.151 0.000 0.977 968 V CB 1.795 33.505 31.823 -0.189 0.000 1.039 968 V HN 0.784 nan 8.190 nan 0.000 0.441 969 R N 1.218 121.567 120.500 -0.252 0.000 2.575 969 R HA 0.689 5.032 4.340 0.005 0.000 0.293 969 R C -1.149 175.041 176.300 -0.184 0.000 0.983 969 R CA -0.247 55.629 56.100 -0.373 0.000 0.887 969 R CB 2.197 32.135 30.300 -0.603 0.000 1.184 969 R HN 0.954 nan 8.270 nan 0.000 0.445 970 T N 0.607 115.112 114.554 -0.080 0.000 2.912 970 T HA 0.340 4.693 4.350 0.005 0.000 0.288 970 T C -0.155 174.578 174.700 0.056 0.000 1.030 970 T CA -0.694 61.426 62.100 0.033 0.000 1.020 970 T CB 1.850 70.796 68.868 0.131 0.000 1.056 970 T HN 0.386 nan 8.240 nan 0.000 0.480 971 T N 2.632 117.226 114.554 0.066 0.000 2.832 971 T HA 0.302 4.655 4.350 0.005 0.000 0.296 971 T C 0.047 174.763 174.700 0.027 0.000 0.968 971 T CA -0.359 61.785 62.100 0.073 0.000 1.107 971 T CB 0.246 69.174 68.868 0.099 0.000 0.916 971 T HN 0.399 nan 8.240 nan 0.000 0.517 972 K N 3.334 123.728 120.400 -0.009 0.000 2.240 972 K HA 0.470 4.793 4.320 0.005 0.000 0.271 972 K C -0.369 176.170 176.600 -0.101 0.000 1.018 972 K CA -0.498 55.757 56.287 -0.054 0.000 0.874 972 K CB 0.799 33.253 32.500 -0.076 0.000 1.098 972 K HN 0.544 nan 8.250 nan 0.000 0.458 973 I N 3.398 123.925 120.570 -0.072 0.000 2.336 973 I HA 0.353 4.526 4.170 0.005 0.000 0.292 973 I C -2.018 174.090 176.117 -0.015 0.000 0.991 973 I CA -2.531 58.738 61.300 -0.052 0.000 1.227 973 I CB 0.886 38.870 38.000 -0.027 0.000 1.366 973 I HN 0.391 nan 8.210 nan 0.000 0.466 974 P HA 0.110 nan 4.420 nan 0.000 0.276 974 P C -1.200 176.147 177.300 0.079 0.000 1.230 974 P CA -0.112 63.037 63.100 0.083 0.000 0.776 974 P CB 1.397 33.281 31.700 0.306 0.000 0.888 975 Q N 2.442 122.267 119.800 0.042 0.000 2.553 975 Q HA 0.236 4.579 4.340 0.005 0.000 0.293 975 Q C 0.645 176.657 176.000 0.020 0.000 1.038 975 Q CA -0.788 55.031 55.803 0.026 0.000 0.777 975 Q CB 1.483 30.220 28.738 -0.002 0.000 1.487 975 Q HN 0.201 nan 8.270 nan 0.000 0.426 976 I N 1.349 121.921 120.570 0.003 0.000 2.450 976 I HA -0.265 3.908 4.170 0.005 0.000 0.260 976 I C 1.363 177.477 176.117 -0.006 0.000 1.145 976 I CA 2.674 63.967 61.300 -0.012 0.000 1.413 976 I CB 0.012 37.995 38.000 -0.029 0.000 1.090 976 I HN 0.791 nan 8.210 nan 0.000 0.445 977 G N -1.732 107.060 108.800 -0.014 0.000 3.062 977 G HA2 0.009 3.972 3.960 0.005 0.000 0.228 977 G HA3 0.009 3.972 3.960 0.005 0.000 0.228 977 G C 0.134 175.007 174.900 -0.045 0.000 1.094 977 G CA -0.221 44.866 45.100 -0.022 0.000 0.782 977 G HN 0.204 nan 8.290 nan 0.000 0.541 978 D N 1.881 122.240 120.400 -0.070 0.000 2.380 978 D HA 0.126 4.769 4.640 0.005 0.000 0.270 978 D C 0.737 176.837 176.300 -0.332 0.000 1.363 978 D CA 0.274 54.138 54.000 -0.228 0.000 1.057 978 D CB 0.640 41.245 40.800 -0.325 0.000 1.096 978 D HN 0.104 nan 8.370 nan 0.000 0.524 979 K N 1.764 122.026 120.400 -0.230 0.000 2.490 979 K HA -0.185 4.138 4.320 0.005 0.000 0.264 979 K C -0.515 175.871 176.600 -0.357 0.000 1.027 979 K CA 0.998 57.173 56.287 -0.187 0.000 1.139 979 K CB 0.002 32.417 32.500 -0.142 0.000 0.792 979 K HN 0.282 nan 8.250 nan 0.000 0.479 980 F N 2.360 122.262 119.950 -0.081 0.000 1.981 980 F HA 0.617 5.147 4.527 0.005 0.000 0.215 980 F C 0.325 176.093 175.800 -0.053 0.000 1.260 980 F CA 0.336 58.269 58.000 -0.112 0.000 1.284 980 F CB 0.137 39.071 39.000 -0.110 0.000 1.898 980 F HN 0.717 nan 8.300 nan 0.000 0.175 981 A N 0.025 123.025 122.820 0.300 0.000 2.435 981 A HA 0.264 4.587 4.320 0.005 0.000 0.686 981 A C 0.076 177.620 177.584 -0.066 0.000 0.138 981 A CA -0.268 51.834 52.037 0.109 0.000 0.025 981 A CB -1.629 17.376 19.000 0.009 0.000 3.974 981 A HN 0.854 nan 8.150 nan 0.000 0.548 982 S N 0.372 115.819 115.700 -0.422 0.000 3.757 982 S HA 0.709 5.182 4.470 0.005 0.000 0.190 982 S C 0.975 175.320 174.600 -0.424 0.000 0.948 982 S CA 0.537 58.191 58.200 -0.910 0.000 1.592 982 S CB 0.461 63.143 63.200 -0.863 0.000 0.656 982 S HN 1.302 nan 8.310 nan 0.000 0.640 983 R N -0.531 119.727 120.500 -0.403 0.000 2.549 983 R HA 0.344 4.687 4.340 0.005 0.000 0.361 983 R C -0.494 175.456 176.300 -0.584 0.000 0.969 983 R CA 0.029 55.878 56.100 -0.418 0.000 1.158 983 R CB 0.367 30.458 30.300 -0.348 0.000 1.456 983 R HN 0.724 nan 8.270 nan 0.000 0.540 984 H N -1.787 117.283 119.070 -0.000 0.000 2.676 984 H HA 0.267 4.826 4.556 0.005 0.000 0.238 984 H C 0.791 176.114 175.328 -0.008 0.000 1.276 984 H CA 0.226 56.285 56.048 0.019 0.000 0.983 984 H CB 1.573 31.366 29.762 0.051 0.000 2.000 984 H HN 0.311 nan 8.280 nan 0.000 0.584 985 G N 1.135 109.968 108.800 0.055 0.000 2.196 985 G HA2 -0.412 3.551 3.960 0.005 0.000 0.268 985 G HA3 -0.412 3.551 3.960 0.005 0.000 0.268 985 G C 1.131 175.974 174.900 -0.095 0.000 0.975 985 G CA 0.420 45.525 45.100 0.008 0.000 0.648 985 G HN 0.390 nan 8.290 nan 0.000 0.538 986 Q N 1.334 121.073 119.800 -0.102 0.000 2.336 986 Q HA 0.187 4.530 4.340 0.005 0.000 0.231 986 Q C 1.334 177.270 176.000 -0.108 0.000 0.900 986 Q CA 0.624 56.336 55.803 -0.152 0.000 0.966 986 Q CB -0.951 27.611 28.738 -0.292 0.000 1.219 986 Q HN 0.845 nan 8.270 nan 0.000 0.412 987 K N -1.627 118.720 120.400 -0.090 0.000 2.494 987 K HA 0.344 4.667 4.320 0.005 0.000 0.273 987 K C 0.270 176.858 176.600 -0.020 0.000 0.970 987 K CA 0.501 56.759 56.287 -0.048 0.000 0.963 987 K CB 0.487 32.944 32.500 -0.071 0.000 0.913 987 K HN 0.139 nan 8.250 nan 0.000 0.502 988 G N 0.561 109.376 108.800 0.024 0.000 2.411 988 G HA2 0.391 4.354 3.960 0.005 0.000 0.295 988 G HA3 0.391 4.354 3.960 0.005 0.000 0.295 988 G C -1.279 173.668 174.900 0.079 0.000 1.542 988 G CA -0.585 44.541 45.100 0.043 0.000 0.814 988 G HN 0.858 nan 8.290 nan 0.000 0.557 989 T N -0.897 113.689 114.554 0.054 0.000 2.940 989 T HA 0.739 5.092 4.350 0.005 0.000 0.288 989 T C 0.907 175.665 174.700 0.095 0.000 1.033 989 T CA -0.768 61.368 62.100 0.060 0.000 1.033 989 T CB 1.403 70.271 68.868 0.001 0.000 1.079 989 T HN 0.569 nan 8.240 nan 0.000 0.496 990 I N 0.937 121.588 120.570 0.137 0.000 3.332 990 I HA 0.262 4.435 4.170 0.005 0.000 0.280 990 I C 1.522 177.646 176.117 0.011 0.000 1.285 990 I CA 0.738 62.086 61.300 0.080 0.000 1.347 990 I CB 0.200 38.266 38.000 0.110 0.000 1.353 990 I HN 1.040 nan 8.210 nan 0.000 0.611 991 G N 3.109 111.875 108.800 -0.057 0.000 2.501 991 G HA2 0.313 4.276 3.960 0.005 0.000 0.211 991 G HA3 0.313 4.276 3.960 0.005 0.000 0.211 991 G C -0.327 174.414 174.900 -0.265 0.000 1.409 991 G CA 0.291 45.356 45.100 -0.059 0.000 0.531 991 G HN 0.382 nan 8.290 nan 0.000 1.086 992 I N 0.681 120.972 120.570 -0.466 0.000 3.279 992 I HA 0.617 4.790 4.170 0.005 0.000 0.315 992 I C -1.227 174.623 176.117 -0.446 0.000 1.225 992 I CA -0.654 60.276 61.300 -0.617 0.000 0.947 992 I CB 2.616 39.831 38.000 -1.309 0.000 1.293 992 I HN 0.131 nan 8.210 nan 0.000 0.468 993 T N 0.116 114.486 114.554 -0.307 0.000 3.050 993 T HA 0.504 4.857 4.350 0.005 0.000 0.310 993 T C -1.178 173.600 174.700 0.130 0.000 0.978 993 T CA -0.417 61.608 62.100 -0.124 0.000 1.013 993 T CB 0.093 68.930 68.868 -0.053 0.000 1.000 993 T HN 0.342 nan 8.240 nan 0.000 0.447 994 Y N 2.175 122.448 120.300 -0.045 0.000 2.353 994 Y HA 0.415 4.967 4.550 0.005 0.000 0.340 994 Y C 1.319 177.205 175.900 -0.024 0.000 0.972 994 Y CA -1.555 56.540 58.100 -0.010 0.000 1.157 994 Y CB 1.334 39.804 38.460 0.016 0.000 1.157 994 Y HN 0.405 nan 8.280 nan 0.000 0.495 995 R N 1.690 122.265 120.500 0.125 0.000 2.756 995 R HA -0.055 4.288 4.340 0.005 0.000 0.264 995 R C 1.601 177.914 176.300 0.021 0.000 1.026 995 R CA 0.086 56.214 56.100 0.046 0.000 1.121 995 R CB 0.454 30.766 30.300 0.021 0.000 0.999 995 R HN 0.733 nan 8.270 nan 0.000 0.449 996 R N 1.820 122.317 120.500 -0.005 0.000 2.154 996 R HA -0.266 4.077 4.340 0.005 0.000 0.248 996 R C 0.857 177.130 176.300 -0.045 0.000 1.155 996 R CA 2.334 58.421 56.100 -0.021 0.000 0.979 996 R CB 0.040 30.317 30.300 -0.039 0.000 0.869 996 R HN 0.672 nan 8.270 nan 0.000 0.452 997 E N 1.240 121.404 120.200 -0.060 0.000 1.998 997 E HA -0.201 4.152 4.350 0.005 0.000 0.196 997 E C 1.517 178.065 176.600 -0.087 0.000 1.003 997 E CA 1.798 58.145 56.400 -0.089 0.000 0.829 997 E CB -0.502 29.151 29.700 -0.079 0.000 0.777 997 E HN 0.586 nan 8.360 nan 0.000 0.460 998 D N 0.248 120.575 120.400 -0.121 0.000 2.351 998 D HA -0.099 4.544 4.640 0.005 0.000 0.216 998 D C 0.687 176.876 176.300 -0.184 0.000 0.968 998 D CA 0.329 54.158 54.000 -0.284 0.000 0.899 998 D CB -0.449 40.128 40.800 -0.372 0.000 0.907 998 D HN 0.135 nan 8.370 nan 0.000 0.514 999 M N 1.528 121.118 119.600 -0.016 0.000 2.250 999 M HA 0.153 4.636 4.480 0.005 0.000 0.325 999 M C -2.217 174.145 176.300 0.103 0.000 1.084 999 M CA -1.273 54.049 55.300 0.037 0.000 1.161 999 M CB 0.645 33.270 32.600 0.043 0.000 1.481 999 M HN -0.173 nan 8.290 nan 0.000 0.449 1000 P HA 0.372 nan 4.420 nan 0.000 0.293 1000 P C -1.386 176.082 177.300 0.280 0.000 1.298 1000 P CA -0.040 63.148 63.100 0.146 0.000 0.757 1000 P CB 0.311 32.005 31.700 -0.010 0.000 1.262 1001 F N -5.248 114.730 119.950 0.047 0.000 2.735 1001 F HA 0.391 4.921 4.527 0.005 0.000 0.316 1001 F C -1.268 174.527 175.800 -0.009 0.000 1.093 1001 F CA -0.855 57.146 58.000 0.002 0.000 0.989 1001 F CB -0.046 38.950 39.000 -0.005 0.000 1.246 1001 F HN 0.409 nan 8.300 nan 0.000 0.463 1002 T N 0.995 115.520 114.554 -0.048 0.000 2.897 1002 T HA 0.690 5.043 4.350 0.005 0.000 0.278 1002 T C 1.125 175.816 174.700 -0.015 0.000 0.981 1002 T CA 0.056 62.074 62.100 -0.137 0.000 0.973 1002 T CB 1.422 70.130 68.868 -0.267 0.000 1.092 1002 T HN 1.368 nan 8.240 nan 0.000 0.543 1003 A N 0.537 123.336 122.820 -0.034 0.000 2.015 1003 A HA 0.062 4.385 4.320 0.005 0.000 0.219 1003 A C 2.107 179.682 177.584 -0.015 0.000 1.163 1003 A CA 1.745 53.739 52.037 -0.073 0.000 0.646 1003 A CB -0.861 18.148 19.000 0.014 0.000 0.806 1003 A HN 0.974 nan 8.150 nan 0.000 0.448 1004 E N -1.512 118.697 120.200 0.015 0.000 2.153 1004 E HA 0.027 4.380 4.350 0.005 0.000 0.194 1004 E C 1.244 177.862 176.600 0.030 0.000 0.988 1004 E CA 0.945 57.360 56.400 0.026 0.000 0.811 1004 E CB -0.110 29.625 29.700 0.058 0.000 0.746 1004 E HN 0.725 nan 8.360 nan 0.000 0.466 1005 G N -0.474 108.364 108.800 0.064 0.000 2.183 1005 G HA2 -0.153 3.810 3.960 0.005 0.000 0.168 1005 G HA3 -0.153 3.810 3.960 0.005 0.000 0.168 1005 G C 0.227 175.172 174.900 0.075 0.000 1.008 1005 G CA -0.001 45.133 45.100 0.058 0.000 0.677 1005 G HN 0.077 nan 8.290 nan 0.000 0.498 1006 I N 0.311 120.942 120.570 0.101 0.000 3.427 1006 I HA 0.403 4.577 4.170 0.005 0.000 0.272 1006 I C 1.045 177.264 176.117 0.170 0.000 1.285 1006 I CA -0.335 61.041 61.300 0.125 0.000 1.300 1006 I CB 0.489 38.576 38.000 0.144 0.000 1.378 1006 I HN 0.079 nan 8.210 nan 0.000 0.634 1007 V N 3.862 123.891 119.914 0.190 0.000 2.944 1007 V HA 0.139 4.262 4.120 0.005 0.000 0.259 1007 V C -2.198 173.976 176.094 0.134 0.000 0.849 1007 V CA -1.093 61.303 62.300 0.160 0.000 0.976 1007 V CB 1.260 33.117 31.823 0.056 0.000 0.997 1007 V HN 0.720 nan 8.190 nan 0.000 0.498 1008 P HA -0.106 nan 4.420 nan 0.000 0.270 1008 P C 0.085 177.317 177.300 -0.113 0.000 1.167 1008 P CA 0.567 63.645 63.100 -0.036 0.000 0.759 1008 P CB 1.291 32.959 31.700 -0.053 0.000 0.777 1009 D N 0.683 120.956 120.400 -0.211 0.000 2.149 1009 D HA 0.058 4.701 4.640 0.005 0.000 0.206 1009 D C 0.900 177.060 176.300 -0.234 0.000 0.967 1009 D CA 1.258 55.128 54.000 -0.217 0.000 0.848 1009 D CB 0.086 40.721 40.800 -0.275 0.000 0.998 1009 D HN 0.445 nan 8.370 nan 0.000 0.474 1010 L N -1.773 119.276 121.223 -0.291 0.000 2.424 1010 L HA 0.586 4.929 4.340 0.005 0.000 0.258 1010 L C -1.111 175.607 176.870 -0.253 0.000 0.995 1010 L CA -1.098 53.577 54.840 -0.276 0.000 0.821 1010 L CB 2.215 44.071 42.059 -0.340 0.000 1.383 1010 L HN -0.305 nan 8.230 nan 0.000 0.410 1011 I N 2.392 122.852 120.570 -0.183 0.000 2.493 1011 I HA 0.624 4.797 4.170 0.005 0.000 0.298 1011 I C 0.120 176.200 176.117 -0.061 0.000 0.998 1011 I CA -0.638 60.596 61.300 -0.110 0.000 1.137 1011 I CB 1.689 39.642 38.000 -0.079 0.000 1.310 1011 I HN 0.737 nan 8.210 nan 0.000 0.445 1012 I N 1.197 121.764 120.570 -0.005 0.000 3.786 1012 I HA 0.641 4.814 4.170 0.005 0.000 0.267 1012 I C -0.710 175.453 176.117 0.077 0.000 1.209 1012 I CA -0.871 60.456 61.300 0.046 0.000 1.157 1012 I CB 1.557 39.607 38.000 0.085 0.000 1.399 1012 I HN 0.540 nan 8.210 nan 0.000 0.502 1013 N N 0.934 119.685 118.700 0.086 0.000 2.225 1013 N HA 0.386 5.129 4.740 0.005 0.000 0.298 1013 N C -2.349 173.191 175.510 0.050 0.000 1.076 1013 N CA -1.984 51.120 53.050 0.091 0.000 0.792 1013 N CB 2.849 41.430 38.487 0.156 0.000 1.498 1013 N HN 0.359 nan 8.380 nan 0.000 0.474 1014 P HA -0.169 nan 4.420 nan 0.000 0.218 1014 P C 1.051 178.317 177.300 -0.057 0.000 1.146 1014 P CA 1.289 64.353 63.100 -0.060 0.000 0.813 1014 P CB 0.129 31.764 31.700 -0.109 0.000 0.778 1015 H N 0.905 119.982 119.070 0.012 0.000 2.357 1015 H HA -0.094 4.465 4.556 0.005 0.000 0.296 1015 H C 1.908 177.226 175.328 -0.017 0.000 1.108 1015 H CA 1.827 57.875 56.048 -0.000 0.000 1.273 1015 H CB -0.960 28.804 29.762 0.004 0.000 1.367 1015 H HN 0.152 nan 8.280 nan 0.000 0.498 1016 A N 0.692 123.574 122.820 0.103 0.000 2.277 1016 A HA -0.064 4.259 4.320 0.005 0.000 0.208 1016 A C 2.209 179.782 177.584 -0.018 0.000 1.202 1016 A CA 0.631 52.681 52.037 0.020 0.000 0.762 1016 A CB -0.534 18.460 19.000 -0.008 0.000 0.770 1016 A HN 0.242 nan 8.150 nan 0.000 0.487 1017 I N -0.608 119.957 120.570 -0.008 0.000 2.947 1017 I HA 0.011 4.184 4.170 0.005 0.000 0.263 1017 I C -0.769 175.333 176.117 -0.025 0.000 1.130 1017 I CA 0.653 61.933 61.300 -0.034 0.000 1.448 1017 I CB -1.488 36.477 38.000 -0.058 0.000 1.222 1017 I HN 0.138 nan 8.210 nan 0.000 0.453 1018 P HA 0.036 nan 4.420 nan 0.000 0.220 1018 P C 1.633 178.934 177.300 0.001 0.000 1.154 1018 P CA 1.021 64.118 63.100 -0.004 0.000 0.830 1018 P CB -0.052 31.651 31.700 0.004 0.000 0.803 1019 S N -0.212 115.492 115.700 0.007 0.000 2.515 1019 S HA 0.024 4.497 4.470 0.005 0.000 0.231 1019 S C 1.641 176.237 174.600 -0.007 0.000 0.987 1019 S CA 0.509 58.710 58.200 0.002 0.000 0.936 1019 S CB -0.652 62.550 63.200 0.003 0.000 0.766 1019 S HN 0.174 nan 8.310 nan 0.000 0.528 1020 R N 0.117 120.609 120.500 -0.014 0.000 2.446 1020 R HA 0.410 4.754 4.340 0.005 0.000 0.254 1020 R C 0.241 176.536 176.300 -0.008 0.000 0.918 1020 R CA 0.156 56.246 56.100 -0.017 0.000 1.069 1020 R CB -0.237 30.039 30.300 -0.041 0.000 1.194 1020 R HN 0.288 nan 8.270 nan 0.000 0.534 1021 M N 1.135 120.727 119.600 -0.013 0.000 2.703 1021 M HA -0.188 4.295 4.480 0.005 0.000 0.186 1021 M C 0.138 176.422 176.300 -0.026 0.000 0.582 1021 M CA 1.251 56.541 55.300 -0.016 0.000 0.578 1021 M CB -1.751 30.846 32.600 -0.004 0.000 2.115 1021 M HN 0.115 nan 8.290 nan 0.000 0.611 1022 T N -0.257 114.275 114.554 -0.036 0.000 2.738 1022 T HA 0.438 4.791 4.350 0.005 0.000 0.294 1022 T C 0.847 175.494 174.700 -0.089 0.000 0.914 1022 T CA -0.366 61.696 62.100 -0.063 0.000 1.052 1022 T CB 0.751 69.586 68.868 -0.054 0.000 0.897 1022 T HN 0.186 nan 8.240 nan 0.000 0.522 1023 V N 5.221 125.069 119.914 -0.110 0.000 2.949 1023 V HA 0.157 4.280 4.120 0.005 0.000 0.245 1023 V C 2.832 178.811 176.094 -0.192 0.000 1.086 1023 V CA 1.068 63.293 62.300 -0.124 0.000 1.097 1023 V CB -0.886 30.887 31.823 -0.083 0.000 0.762 1023 V HN 0.971 nan 8.190 nan 0.000 0.470 1024 A N -0.406 122.268 122.820 -0.243 0.000 2.042 1024 A HA -0.339 3.985 4.320 0.005 0.000 0.222 1024 A C 2.131 179.553 177.584 -0.270 0.000 1.167 1024 A CA 2.318 54.171 52.037 -0.307 0.000 0.649 1024 A CB -0.908 17.904 19.000 -0.312 0.000 0.809 1024 A HN 0.712 nan 8.150 nan 0.000 0.457 1025 H N 0.038 118.884 119.070 -0.374 0.000 2.270 1025 H HA -0.118 4.441 4.556 0.005 0.000 0.299 1025 H C 1.845 177.175 175.328 0.004 0.000 1.077 1025 H CA 2.134 58.169 56.048 -0.021 0.000 1.294 1025 H CB -0.073 29.717 29.762 0.047 0.000 1.371 1025 H HN 0.417 nan 8.280 nan 0.000 0.491 1026 L N 0.386 121.538 121.223 -0.119 0.000 2.141 1026 L HA -0.105 4.238 4.340 0.005 0.000 0.209 1026 L C 2.738 179.551 176.870 -0.094 0.000 1.094 1026 L CA 0.968 55.648 54.840 -0.267 0.000 0.763 1026 L CB -0.641 41.055 42.059 -0.606 0.000 0.908 1026 L HN 0.232 nan 8.230 nan 0.000 0.437 1027 I N 0.572 121.050 120.570 -0.153 0.000 2.142 1027 I HA -0.298 3.875 4.170 0.005 0.000 0.240 1027 I C 2.795 178.874 176.117 -0.064 0.000 1.078 1027 I CA 1.740 62.926 61.300 -0.189 0.000 1.343 1027 I CB -0.391 37.315 38.000 -0.491 0.000 1.046 1027 I HN 0.443 nan 8.210 nan 0.000 0.405 1028 E N 0.682 120.892 120.200 0.016 0.000 2.130 1028 E HA -0.316 4.037 4.350 0.005 0.000 0.196 1028 E C 2.306 178.945 176.600 0.065 0.000 0.998 1028 E CA 1.864 58.341 56.400 0.128 0.000 0.806 1028 E CB -0.778 29.029 29.700 0.180 0.000 0.738 1028 E HN 0.590 nan 8.360 nan 0.000 0.459 1029 C N -0.094 119.234 119.300 0.047 0.000 2.453 1029 C HA 0.013 4.476 4.460 0.005 0.000 0.277 1029 C C 2.565 177.571 174.990 0.025 0.000 1.262 1029 C CA 0.749 59.806 59.018 0.065 0.000 1.718 1029 C CB -1.178 26.681 27.740 0.199 0.000 2.031 1029 C HN 0.676 nan 8.230 nan 0.000 0.480 1030 L N 0.947 122.237 121.223 0.111 0.000 2.017 1030 L HA -0.019 4.324 4.340 0.005 0.000 0.208 1030 L C 2.338 179.184 176.870 -0.040 0.000 1.073 1030 L CA 2.172 57.014 54.840 0.002 0.000 0.745 1030 L CB -0.786 41.356 42.059 0.137 0.000 0.894 1030 L HN 0.501 nan 8.230 nan 0.000 0.432 1031 L N -1.440 119.783 121.223 -0.001 0.000 2.093 1031 L HA -0.097 4.246 4.340 0.005 0.000 0.208 1031 L C 2.338 179.198 176.870 -0.016 0.000 1.085 1031 L CA 2.026 56.872 54.840 0.010 0.000 0.755 1031 L CB -1.022 41.097 42.059 0.100 0.000 0.904 1031 L HN 0.222 nan 8.230 nan 0.000 0.435 1032 S N -0.159 115.534 115.700 -0.011 0.000 2.368 1032 S HA -0.219 4.254 4.470 0.005 0.000 0.225 1032 S C 1.922 176.475 174.600 -0.078 0.000 1.030 1032 S CA 1.478 59.657 58.200 -0.034 0.000 0.999 1032 S CB -0.379 62.813 63.200 -0.013 0.000 0.844 1032 S HN 0.497 nan 8.310 nan 0.000 0.459 1033 K N 0.864 121.196 120.400 -0.114 0.000 2.059 1033 K HA -0.164 4.159 4.320 0.005 0.000 0.212 1033 K C 1.907 178.404 176.600 -0.171 0.000 1.050 1033 K CA 1.595 57.780 56.287 -0.170 0.000 0.927 1033 K CB -0.312 32.038 32.500 -0.249 0.000 0.714 1033 K HN 0.170 nan 8.250 nan 0.000 0.447 1034 V N 0.712 120.527 119.914 -0.165 0.000 2.307 1034 V HA -0.238 3.885 4.120 0.005 0.000 0.245 1034 V C 2.317 178.303 176.094 -0.180 0.000 1.045 1034 V CA 1.784 63.955 62.300 -0.214 0.000 1.024 1034 V CB -0.610 31.111 31.823 -0.170 0.000 0.651 1034 V HN 0.518 nan 8.190 nan 0.000 0.449 1035 A N 0.471 123.224 122.820 -0.110 0.000 1.870 1035 A HA -0.332 3.991 4.320 0.005 0.000 0.219 1035 A C 2.467 180.010 177.584 -0.069 0.000 1.224 1035 A CA 2.999 54.989 52.037 -0.079 0.000 0.650 1035 A CB -1.296 17.666 19.000 -0.062 0.000 0.836 1035 A HN 0.675 nan 8.150 nan 0.000 0.454 1036 A N -1.043 121.737 122.820 -0.067 0.000 1.997 1036 A HA -0.100 4.223 4.320 0.005 0.000 0.221 1036 A C 2.194 179.765 177.584 -0.022 0.000 1.172 1036 A CA 1.839 53.849 52.037 -0.044 0.000 0.645 1036 A CB -0.555 18.415 19.000 -0.051 0.000 0.813 1036 A HN 0.521 nan 8.150 nan 0.000 0.454 1037 L N -0.629 120.566 121.223 -0.046 0.000 2.046 1037 L HA -0.097 4.246 4.340 0.005 0.000 0.203 1037 L C 3.011 179.938 176.870 0.095 0.000 1.111 1037 L CA 1.311 56.168 54.840 0.028 0.000 0.769 1037 L CB -0.725 41.295 42.059 -0.065 0.000 0.914 1037 L HN 0.545 nan 8.230 nan 0.000 0.448 1038 S N 0.044 115.737 115.700 -0.012 0.000 2.462 1038 S HA -0.124 4.349 4.470 0.005 0.000 0.243 1038 S C 1.524 176.160 174.600 0.059 0.000 1.003 1038 S CA 0.906 59.167 58.200 0.102 0.000 0.970 1038 S CB -0.566 62.641 63.200 0.012 0.000 0.762 1038 S HN 0.760 nan 8.310 nan 0.000 0.510 1039 G N 0.791 109.601 108.800 0.017 0.000 2.143 1039 G HA2 -0.238 3.725 3.960 0.005 0.000 0.249 1039 G HA3 -0.238 3.725 3.960 0.005 0.000 0.249 1039 G C 0.023 174.917 174.900 -0.010 0.000 0.981 1039 G CA 0.167 45.271 45.100 0.007 0.000 0.665 1039 G HN 0.575 nan 8.290 nan 0.000 0.528 1040 N N 0.055 118.743 118.700 -0.020 0.000 2.514 1040 N HA 0.497 5.240 4.740 0.005 0.000 0.299 1040 N C 0.042 175.527 175.510 -0.043 0.000 1.292 1040 N CA -0.448 52.586 53.050 -0.026 0.000 0.963 1040 N CB 0.382 38.856 38.487 -0.021 0.000 1.124 1040 N HN 0.433 nan 8.380 nan 0.000 0.580 1041 E N -0.596 119.574 120.200 -0.050 0.000 2.179 1041 E HA 0.427 4.780 4.350 0.005 0.000 0.275 1041 E C -0.358 176.201 176.600 -0.069 0.000 0.945 1041 E CA -0.814 55.546 56.400 -0.067 0.000 0.792 1041 E CB 0.928 30.579 29.700 -0.080 0.000 1.125 1041 E HN 0.599 nan 8.360 nan 0.000 0.397 1042 G N 3.079 111.834 108.800 -0.075 0.000 2.367 1042 G HA2 -0.038 3.925 3.960 0.005 0.000 0.280 1042 G HA3 -0.038 3.925 3.960 0.005 0.000 0.280 1042 G C -0.066 174.769 174.900 -0.109 0.000 1.175 1042 G CA -0.193 44.867 45.100 -0.067 0.000 1.001 1042 G HN 0.501 nan 8.290 nan 0.000 0.437 1043 D N 2.466 122.807 120.400 -0.099 0.000 2.741 1043 D HA 0.335 4.978 4.640 0.005 0.000 0.233 1043 D C 1.551 177.695 176.300 -0.260 0.000 1.160 1043 D CA -0.003 53.908 54.000 -0.149 0.000 1.003 1043 D CB 0.351 41.100 40.800 -0.086 0.000 1.064 1043 D HN 0.295 nan 8.370 nan 0.000 0.503 1044 A N 1.114 123.699 122.820 -0.393 0.000 2.066 1044 A HA -0.008 4.315 4.320 0.005 0.000 0.218 1044 A C 1.234 178.277 177.584 -0.902 0.000 1.157 1044 A CA 0.050 51.554 52.037 -0.889 0.000 0.670 1044 A CB -0.301 18.343 19.000 -0.593 0.000 0.804 1044 A HN 0.390 nan 8.150 nan 0.000 0.453 1045 S N 2.101 117.535 115.700 -0.442 0.000 2.953 1045 S HA 0.077 4.550 4.470 0.005 0.000 0.348 1045 S C -1.500 172.974 174.600 -0.210 0.000 1.215 1045 S CA -0.257 57.790 58.200 -0.254 0.000 1.019 1045 S CB -0.053 63.056 63.200 -0.151 0.000 0.726 1045 S HN 0.310 nan 8.310 nan 0.000 0.503 1046 P HA -0.181 nan 4.420 nan 0.000 0.221 1046 P C 0.209 177.394 177.300 -0.191 0.000 1.082 1046 P CA 0.796 63.690 63.100 -0.344 0.000 0.951 1046 P CB -0.072 31.255 31.700 -0.623 0.000 0.583 1047 F N -0.079 119.947 119.950 0.125 0.000 2.495 1047 F HA 0.163 4.693 4.527 0.005 0.000 0.339 1047 F C 1.115 177.014 175.800 0.164 0.000 1.226 1047 F CA 0.298 58.364 58.000 0.109 0.000 0.998 1047 F CB -1.789 37.223 39.000 0.020 0.000 1.180 1047 F HN 0.006 nan 8.300 nan 0.000 0.611 1048 T N -1.587 113.134 114.554 0.279 0.000 2.843 1048 T HA 0.318 4.671 4.350 0.005 0.000 0.302 1048 T C -0.780 174.053 174.700 0.222 0.000 1.232 1048 T CA -1.184 61.069 62.100 0.255 0.000 1.009 1048 T CB 2.043 71.039 68.868 0.213 0.000 1.254 1048 T HN 0.155 nan 8.240 nan 0.000 0.504 1049 D N 1.249 121.760 120.400 0.186 0.000 2.639 1049 D HA 0.462 5.105 4.640 0.005 0.000 0.233 1049 D C -0.598 175.791 176.300 0.149 0.000 1.161 1049 D CA 0.033 54.127 54.000 0.157 0.000 1.003 1049 D CB -0.075 40.800 40.800 0.125 0.000 1.034 1049 D HN 0.441 nan 8.370 nan 0.000 0.514 1050 I N 0.625 121.306 120.570 0.186 0.000 2.569 1050 I HA 0.327 4.500 4.170 0.005 0.000 0.296 1050 I C 0.094 176.297 176.117 0.144 0.000 1.028 1050 I CA -0.357 61.047 61.300 0.173 0.000 1.082 1050 I CB 2.232 40.380 38.000 0.247 0.000 1.264 1050 I HN 0.034 nan 8.210 nan 0.000 0.429 1051 T N 1.635 116.235 114.554 0.076 0.000 2.864 1051 T HA 0.294 4.647 4.350 0.005 0.000 0.299 1051 T C 0.459 175.147 174.700 -0.021 0.000 1.166 1051 T CA -0.678 61.440 62.100 0.029 0.000 1.007 1051 T CB 1.805 70.708 68.868 0.057 0.000 1.219 1051 T HN 0.129 nan 8.240 nan 0.000 0.506 1052 V N 0.840 120.726 119.914 -0.047 0.000 2.667 1052 V HA -0.086 4.037 4.120 0.005 0.000 0.252 1052 V C 2.589 178.686 176.094 0.005 0.000 1.065 1052 V CA 1.594 63.867 62.300 -0.044 0.000 1.083 1052 V CB -0.776 31.017 31.823 -0.050 0.000 0.692 1052 V HN 0.801 nan 8.190 nan 0.000 0.468 1053 E N 1.021 121.232 120.200 0.020 0.000 2.012 1053 E HA -0.185 4.168 4.350 0.005 0.000 0.197 1053 E C 2.399 179.020 176.600 0.034 0.000 1.007 1053 E CA 1.735 58.155 56.400 0.032 0.000 0.816 1053 E CB -1.087 28.635 29.700 0.037 0.000 0.762 1053 E HN 0.540 nan 8.360 nan 0.000 0.451 1054 G N 1.535 110.356 108.800 0.036 0.000 2.442 1054 G HA2 -0.219 3.744 3.960 0.005 0.000 0.219 1054 G HA3 -0.219 3.744 3.960 0.005 0.000 0.219 1054 G C 1.597 176.517 174.900 0.033 0.000 1.141 1054 G CA 0.827 45.950 45.100 0.040 0.000 0.763 1054 G HN 0.143 nan 8.290 nan 0.000 0.554 1055 I N 1.266 121.849 120.570 0.022 0.000 2.163 1055 I HA -0.101 4.072 4.170 0.005 0.000 0.240 1055 I C 2.920 179.048 176.117 0.018 0.000 1.081 1055 I CA 1.222 62.529 61.300 0.011 0.000 1.353 1055 I CB -1.316 36.679 38.000 -0.007 0.000 1.054 1055 I HN 0.110 nan 8.210 nan 0.000 0.407 1056 S N 1.208 116.925 115.700 0.028 0.000 2.370 1056 S HA -0.204 4.269 4.470 0.005 0.000 0.226 1056 S C 1.852 176.485 174.600 0.056 0.000 1.033 1056 S CA 1.506 59.733 58.200 0.045 0.000 1.011 1056 S CB -0.254 62.978 63.200 0.054 0.000 0.852 1056 S HN 0.456 nan 8.310 nan 0.000 0.457 1057 K N 1.074 121.505 120.400 0.052 0.000 2.280 1057 K HA 0.030 4.353 4.320 0.005 0.000 0.202 1057 K C 1.761 178.405 176.600 0.072 0.000 1.047 1057 K CA 0.802 57.124 56.287 0.058 0.000 0.942 1057 K CB -0.284 32.247 32.500 0.050 0.000 0.739 1057 K HN 0.320 nan 8.250 nan 0.000 0.457 1058 L N 0.042 121.304 121.223 0.066 0.000 2.131 1058 L HA -0.078 4.265 4.340 0.005 0.000 0.206 1058 L C 2.105 179.042 176.870 0.111 0.000 1.087 1058 L CA 0.297 55.185 54.840 0.080 0.000 0.767 1058 L CB -0.225 41.852 42.059 0.030 0.000 0.917 1058 L HN 0.115 nan 8.230 nan 0.000 0.441 1059 L N 0.024 121.295 121.223 0.080 0.000 2.217 1059 L HA -0.101 4.242 4.340 0.005 0.000 0.211 1059 L C 2.577 179.568 176.870 0.201 0.000 1.107 1059 L CA 1.299 56.218 54.840 0.131 0.000 0.783 1059 L CB -0.583 41.512 42.059 0.059 0.000 0.919 1059 L HN 0.100 nan 8.230 nan 0.000 0.442 1060 R N 0.701 121.284 120.500 0.139 0.000 2.147 1060 R HA -0.232 4.111 4.340 0.005 0.000 0.225 1060 R C 2.069 178.436 176.300 0.111 0.000 1.120 1060 R CA 2.334 58.502 56.100 0.113 0.000 0.891 1060 R CB -0.825 29.522 30.300 0.079 0.000 0.822 1060 R HN 0.452 nan 8.270 nan 0.000 0.433 1061 E N -0.780 119.482 120.200 0.104 0.000 2.208 1061 E HA -0.249 4.104 4.350 0.005 0.000 0.202 1061 E C 1.656 178.295 176.600 0.065 0.000 1.014 1061 E CA 1.546 57.991 56.400 0.076 0.000 0.819 1061 E CB -0.274 29.479 29.700 0.087 0.000 0.735 1061 E HN 0.494 nan 8.360 nan 0.000 0.469 1062 H N -1.569 117.546 119.070 0.075 0.000 2.536 1062 H HA 0.108 4.667 4.556 0.005 0.000 0.276 1062 H C 1.247 176.653 175.328 0.131 0.000 1.019 1062 H CA 0.759 56.873 56.048 0.110 0.000 1.159 1062 H CB 0.785 30.631 29.762 0.142 0.000 1.373 1062 H HN 0.365 nan 8.280 nan 0.000 0.584 1063 G N -0.007 108.841 108.800 0.078 0.000 2.491 1063 G HA2 -0.232 3.731 3.960 0.005 0.000 0.203 1063 G HA3 -0.232 3.731 3.960 0.005 0.000 0.203 1063 G C -0.370 174.347 174.900 -0.305 0.000 1.052 1063 G CA -0.189 44.783 45.100 -0.214 0.000 0.675 1063 G HN 0.284 nan 8.290 nan 0.000 0.504 1064 Y N 1.404 121.734 120.300 0.051 0.000 2.565 1064 Y HA 0.651 5.204 4.550 0.005 0.000 0.325 1064 Y C 0.696 176.619 175.900 0.039 0.000 1.221 1064 Y CA -0.554 57.567 58.100 0.035 0.000 1.316 1064 Y CB 0.360 38.834 38.460 0.024 0.000 1.404 1064 Y HN 0.398 nan 8.280 nan 0.000 0.527 1065 Q N -0.635 119.299 119.800 0.224 0.000 2.286 1065 Q HA 0.267 4.610 4.340 0.005 0.000 0.257 1065 Q C 0.533 176.627 176.000 0.157 0.000 0.941 1065 Q CA 0.066 55.959 55.803 0.150 0.000 0.912 1065 Q CB 1.310 30.126 28.738 0.129 0.000 1.192 1065 Q HN 0.669 nan 8.270 nan 0.000 0.410 1066 S N 2.817 118.591 115.700 0.124 0.000 2.488 1066 S HA -0.164 4.309 4.470 0.005 0.000 0.246 1066 S C 0.763 175.430 174.600 0.112 0.000 0.992 1066 S CA 0.842 59.105 58.200 0.106 0.000 0.963 1066 S CB -0.182 63.069 63.200 0.086 0.000 0.754 1066 S HN 0.689 nan 8.310 nan 0.000 0.519 1067 R N 0.387 120.991 120.500 0.174 0.000 2.577 1067 R HA 0.387 4.730 4.340 0.005 0.000 0.344 1067 R C 1.313 177.729 176.300 0.193 0.000 1.037 1067 R CA 0.286 56.528 56.100 0.237 0.000 1.102 1067 R CB -0.326 30.183 30.300 0.348 0.000 1.313 1067 R HN 0.527 nan 8.270 nan 0.000 0.561 1068 G N 0.882 109.659 108.800 -0.039 0.000 2.157 1068 G HA2 -0.279 3.684 3.960 0.005 0.000 0.239 1068 G HA3 -0.279 3.684 3.960 0.005 0.000 0.239 1068 G C -0.142 174.441 174.900 -0.527 0.000 0.982 1068 G CA -0.343 44.435 45.100 -0.536 0.000 0.650 1068 G HN 0.240 nan 8.290 nan 0.000 0.527 1069 F N 1.439 121.330 119.950 -0.099 0.000 2.396 1069 F HA 0.601 5.132 4.527 0.005 0.000 0.343 1069 F C 0.771 176.562 175.800 -0.016 0.000 1.104 1069 F CA -0.256 57.736 58.000 -0.012 0.000 1.161 1069 F CB 1.169 40.197 39.000 0.048 0.000 1.146 1069 F HN 0.112 nan 8.300 nan 0.000 0.522 1070 E N 1.695 121.978 120.200 0.138 0.000 2.260 1070 E HA 0.340 4.693 4.350 0.005 0.000 0.266 1070 E C -1.298 175.308 176.600 0.010 0.000 0.887 1070 E CA -1.005 55.422 56.400 0.046 0.000 0.777 1070 E CB 2.115 31.754 29.700 -0.102 0.000 1.205 1070 E HN 0.310 nan 8.360 nan 0.000 0.414 1071 V N 2.846 122.769 119.914 0.015 0.000 2.484 1071 V HA -0.058 4.065 4.120 0.005 0.000 0.276 1071 V C 0.381 176.431 176.094 -0.074 0.000 0.976 1071 V CA 0.722 62.997 62.300 -0.042 0.000 1.141 1071 V CB -1.133 30.668 31.823 -0.037 0.000 0.975 1071 V HN 0.723 nan 8.190 nan 0.000 0.466 1072 M N 4.147 123.667 119.600 -0.132 0.000 2.573 1072 M HA 0.577 5.060 4.480 0.005 0.000 0.309 1072 M C -1.031 175.110 176.300 -0.264 0.000 1.202 1072 M CA -0.552 54.661 55.300 -0.146 0.000 0.975 1072 M CB 2.221 34.740 32.600 -0.136 0.000 1.600 1072 M HN 0.551 nan 8.290 nan 0.000 0.479 1073 Y N 0.431 120.377 120.300 -0.590 0.000 2.409 1073 Y HA 0.301 4.854 4.550 0.005 0.000 0.343 1073 Y C 0.335 176.033 175.900 -0.337 0.000 0.973 1073 Y CA -1.222 56.527 58.100 -0.584 0.000 1.064 1073 Y CB 0.845 38.682 38.460 -1.039 0.000 1.207 1073 Y HN 0.586 nan 8.280 nan 0.000 0.452 1074 N N 0.896 119.651 118.700 0.092 0.000 2.381 1074 N HA -0.014 4.730 4.740 0.005 0.000 0.241 1074 N C 0.959 176.673 175.510 0.341 0.000 1.279 1074 N CA 0.990 54.191 53.050 0.251 0.000 0.896 1074 N CB 1.480 40.087 38.487 0.200 0.000 1.118 1074 N HN 0.981 nan 8.380 nan 0.000 0.438 1075 G N 1.444 110.418 108.800 0.288 0.000 2.417 1075 G HA2 -0.155 3.808 3.960 0.005 0.000 0.212 1075 G HA3 -0.155 3.808 3.960 0.005 0.000 0.212 1075 G C 1.232 176.136 174.900 0.007 0.000 1.187 1075 G CA 0.281 45.466 45.100 0.142 0.000 0.804 1075 G HN 0.764 nan 8.290 nan 0.000 0.534 1076 H N -0.007 119.147 119.070 0.140 0.000 2.390 1076 H HA -0.099 4.460 4.556 0.005 0.000 0.298 1076 H C 2.517 177.888 175.328 0.072 0.000 1.106 1076 H CA 1.823 57.909 56.048 0.064 0.000 1.297 1076 H CB -0.308 29.468 29.762 0.023 0.000 1.375 1076 H HN 0.447 nan 8.280 nan 0.000 0.509 1077 T N -2.283 112.400 114.554 0.214 0.000 3.098 1077 T HA 0.293 4.647 4.350 0.005 0.000 0.246 1077 T C 1.546 176.349 174.700 0.171 0.000 0.983 1077 T CA 1.384 63.580 62.100 0.161 0.000 1.094 1077 T CB 0.103 69.051 68.868 0.134 0.000 1.035 1077 T HN 0.568 nan 8.240 nan 0.000 0.456 1078 G N 1.677 110.617 108.800 0.234 0.000 2.157 1078 G HA2 -0.201 3.763 3.960 0.005 0.000 0.239 1078 G HA3 -0.201 3.763 3.960 0.005 0.000 0.239 1078 G C 0.019 175.074 174.900 0.258 0.000 0.982 1078 G CA 0.471 45.758 45.100 0.311 0.000 0.650 1078 G HN 0.803 nan 8.290 nan 0.000 0.527 1079 K N 1.208 121.702 120.400 0.157 0.000 2.368 1079 K HA 0.455 4.778 4.320 0.005 0.000 0.282 1079 K C 0.970 177.561 176.600 -0.014 0.000 1.035 1079 K CA -0.419 55.914 56.287 0.078 0.000 0.973 1079 K CB 0.347 32.873 32.500 0.042 0.000 0.957 1079 K HN 0.223 nan 8.250 nan 0.000 0.474 1080 K N 3.357 123.670 120.400 -0.145 0.000 2.591 1080 K HA -0.074 4.249 4.320 0.005 0.000 0.280 1080 K C -0.359 176.057 176.600 -0.305 0.000 0.964 1080 K CA 0.187 56.179 56.287 -0.491 0.000 1.014 1080 K CB 0.334 32.577 32.500 -0.429 0.000 0.877 1080 K HN 0.547 nan 8.250 nan 0.000 0.502 1081 L N 5.357 126.365 121.223 -0.359 0.000 2.290 1081 L HA 0.023 4.366 4.340 0.005 0.000 0.284 1081 L C 1.464 178.258 176.870 -0.126 0.000 1.078 1081 L CA -0.365 54.374 54.840 -0.169 0.000 0.815 1081 L CB 1.265 43.260 42.059 -0.106 0.000 1.162 1081 L HN 0.873 nan 8.230 nan 0.000 0.435 1082 M N 2.656 122.213 119.600 -0.072 0.000 2.195 1082 M HA -0.100 4.383 4.480 0.005 0.000 0.260 1082 M C 0.783 177.057 176.300 -0.043 0.000 1.066 1082 M CA 1.196 56.463 55.300 -0.054 0.000 1.089 1082 M CB -0.723 31.858 32.600 -0.031 0.000 1.377 1082 M HN 0.659 nan 8.290 nan 0.000 0.411 1083 A N -0.857 121.950 122.820 -0.022 0.000 2.282 1083 A HA 0.604 4.927 4.320 0.005 0.000 0.324 1083 A C -0.069 177.525 177.584 0.018 0.000 1.119 1083 A CA -0.655 51.388 52.037 0.010 0.000 0.880 1083 A CB 0.863 19.895 19.000 0.053 0.000 1.294 1083 A HN 0.341 nan 8.150 nan 0.000 0.493 1084 Q N -1.135 118.714 119.800 0.081 0.000 2.738 1084 Q HA 0.846 5.189 4.340 0.005 0.000 0.197 1084 Q C -0.983 175.182 176.000 0.274 0.000 1.012 1084 Q CA -0.217 55.678 55.803 0.154 0.000 0.968 1084 Q CB 0.984 29.835 28.738 0.188 0.000 1.590 1084 Q HN 0.588 nan 8.270 nan 0.000 0.490 1085 I N -0.145 120.631 120.570 0.343 0.000 2.731 1085 I HA 0.224 4.397 4.170 0.005 0.000 0.289 1085 I C -1.302 174.871 176.117 0.093 0.000 1.399 1085 I CA -0.705 60.738 61.300 0.238 0.000 1.048 1085 I CB 1.490 39.601 38.000 0.186 0.000 1.345 1085 I HN 0.400 nan 8.210 nan 0.000 0.425 1086 F N 5.891 125.684 119.950 -0.261 0.000 2.529 1086 F HA 0.438 4.968 4.527 0.005 0.000 0.365 1086 F C -0.617 175.196 175.800 0.022 0.000 1.102 1086 F CA 0.769 58.592 58.000 -0.296 0.000 1.271 1086 F CB 0.412 39.183 39.000 -0.382 0.000 1.120 1086 F HN 0.347 nan 8.300 nan 0.000 0.579 1087 F N 4.290 124.042 119.950 -0.330 0.000 2.775 1087 F HA 0.514 5.044 4.527 0.005 0.000 0.339 1087 F C -0.707 174.898 175.800 -0.325 0.000 1.159 1087 F CA -0.367 57.515 58.000 -0.196 0.000 1.145 1087 F CB 0.814 39.728 39.000 -0.144 0.000 1.408 1087 F HN 0.639 nan 8.300 nan 0.000 0.597 1088 G N 4.141 112.783 108.800 -0.262 0.000 2.649 1088 G HA2 0.622 4.585 3.960 0.005 0.000 0.290 1088 G HA3 0.622 4.585 3.960 0.005 0.000 0.290 1088 G C -3.459 171.323 174.900 -0.196 0.000 1.426 1088 G CA -1.520 43.453 45.100 -0.211 0.000 0.794 1088 G HN 0.175 nan 8.290 nan 0.000 0.483 1089 P HA 0.310 nan 4.420 nan 0.000 0.275 1089 P C -0.717 176.568 177.300 -0.025 0.000 1.276 1089 P CA 0.129 63.178 63.100 -0.085 0.000 0.782 1089 P CB 0.716 32.377 31.700 -0.065 0.000 0.851 1090 T N 2.964 117.531 114.554 0.022 0.000 3.050 1090 T HA 0.164 4.517 4.350 0.005 0.000 0.310 1090 T C -0.453 174.425 174.700 0.296 0.000 0.978 1090 T CA -0.510 61.660 62.100 0.117 0.000 1.013 1090 T CB 0.222 69.126 68.868 0.061 0.000 1.000 1090 T HN 0.152 nan 8.240 nan 0.000 0.447 1091 Y N 2.669 123.038 120.300 0.115 0.000 2.709 1091 Y HA 0.300 4.853 4.550 0.005 0.000 0.348 1091 Y C -0.743 175.312 175.900 0.259 0.000 1.267 1091 Y CA -0.103 58.087 58.100 0.150 0.000 1.486 1091 Y CB 0.274 38.789 38.460 0.092 0.000 1.356 1091 Y HN 0.683 nan 8.280 nan 0.000 0.639 1092 Y N 3.126 123.321 120.300 -0.175 0.000 2.376 1092 Y HA 0.187 4.740 4.550 0.005 0.000 0.321 1092 Y C -1.066 174.787 175.900 -0.078 0.000 1.189 1092 Y CA -1.196 56.881 58.100 -0.039 0.000 1.069 1092 Y CB 1.270 39.799 38.460 0.114 0.000 1.292 1092 Y HN 0.514 nan 8.280 nan 0.000 0.430 1093 Q N 3.680 123.470 119.800 -0.017 0.000 2.261 1093 Q HA 0.397 4.740 4.340 0.005 0.000 0.252 1093 Q C -0.446 175.578 176.000 0.040 0.000 0.915 1093 Q CA -0.892 54.904 55.803 -0.012 0.000 0.915 1093 Q CB 2.096 30.819 28.738 -0.025 0.000 1.204 1093 Q HN 0.622 nan 8.270 nan 0.000 0.421 1094 R N 3.530 123.979 120.500 -0.085 0.000 2.210 1094 R HA 0.300 4.643 4.340 0.005 0.000 0.338 1094 R C -0.551 175.665 176.300 -0.140 0.000 1.062 1094 R CA -0.150 55.868 56.100 -0.137 0.000 0.902 1094 R CB 0.243 30.363 30.300 -0.301 0.000 1.050 1094 R HN 0.627 nan 8.270 nan 0.000 0.461 1095 L N 4.170 125.271 121.223 -0.203 0.000 2.454 1095 L HA 0.342 4.685 4.340 0.005 0.000 0.256 1095 L C 1.609 178.362 176.870 -0.194 0.000 1.136 1095 L CA -0.757 53.997 54.840 -0.144 0.000 0.804 1095 L CB 0.802 42.803 42.059 -0.097 0.000 1.181 1095 L HN 0.742 nan 8.230 nan 0.000 0.469 1096 R N 0.002 120.362 120.500 -0.234 0.000 2.149 1096 R HA -0.058 4.285 4.340 0.005 0.000 0.177 1096 R C 0.015 176.142 176.300 -0.288 0.000 0.933 1096 R CA 0.364 56.258 56.100 -0.345 0.000 1.168 1096 R CB -0.852 28.974 30.300 -0.791 0.000 0.669 1096 R HN 0.480 nan 8.270 nan 0.000 0.554 1097 H N 0.509 119.429 119.070 -0.250 0.000 1.911 1097 H HA -0.178 4.381 4.556 0.005 0.000 0.280 1097 H C -0.589 174.605 175.328 -0.224 0.000 0.685 1097 H CA 1.259 57.180 56.048 -0.211 0.000 1.207 1097 H CB -0.631 29.020 29.762 -0.185 0.000 1.358 1097 H HN 0.340 nan 8.280 nan 0.000 0.292 1098 M N 2.854 122.378 119.600 -0.128 0.000 2.300 1098 M HA 0.142 4.625 4.480 0.005 0.000 0.348 1098 M C 1.092 177.317 176.300 -0.125 0.000 1.151 1098 M CA -0.480 54.718 55.300 -0.169 0.000 1.046 1098 M CB 1.492 33.958 32.600 -0.224 0.000 1.647 1098 M HN 0.256 nan 8.290 nan 0.000 0.451 1099 V N 1.840 121.680 119.914 -0.123 0.000 2.214 1099 V HA -0.253 3.870 4.120 0.005 0.000 0.245 1099 V C 1.115 177.163 176.094 -0.076 0.000 1.047 1099 V CA 1.885 64.132 62.300 -0.087 0.000 0.998 1099 V CB -0.525 31.252 31.823 -0.078 0.000 0.633 1099 V HN 0.822 nan 8.190 nan 0.000 0.446 1100 D N 0.457 120.807 120.400 -0.084 0.000 2.489 1100 D HA -0.074 4.569 4.640 0.005 0.000 0.264 1100 D C 0.274 176.524 176.300 -0.084 0.000 1.294 1100 D CA 0.546 54.503 54.000 -0.072 0.000 0.938 1100 D CB -0.159 40.599 40.800 -0.070 0.000 0.985 1100 D HN 0.556 nan 8.370 nan 0.000 0.492 1101 D N -0.968 119.380 120.400 -0.086 0.000 2.538 1101 D HA 0.046 4.689 4.640 0.005 0.000 0.241 1101 D C 1.440 177.709 176.300 -0.052 0.000 1.297 1101 D CA -0.132 53.814 54.000 -0.089 0.000 0.804 1101 D CB 0.733 41.451 40.800 -0.136 0.000 1.122 1101 D HN 0.146 nan 8.370 nan 0.000 0.519 1102 K N 0.203 120.585 120.400 -0.030 0.000 2.353 1102 K HA 0.170 4.493 4.320 0.005 0.000 0.206 1102 K C 0.765 177.389 176.600 0.040 0.000 1.191 1102 K CA -0.129 56.158 56.287 -0.000 0.000 0.897 1102 K CB 0.982 33.477 32.500 -0.009 0.000 1.283 1102 K HN -0.067 nan 8.250 nan 0.000 0.477 1103 I N 4.919 125.501 120.570 0.020 0.000 3.477 1103 I HA -0.148 4.025 4.170 0.005 0.000 0.295 1103 I C 0.207 176.375 176.117 0.085 0.000 1.225 1103 I CA 0.899 62.217 61.300 0.029 0.000 1.431 1103 I CB -2.376 35.627 38.000 0.005 0.000 1.516 1103 I HN 0.199 nan 8.210 nan 0.000 0.603 1104 H N 5.275 124.333 119.070 -0.019 0.000 2.538 1104 H HA 0.831 5.390 4.556 0.004 0.000 0.353 1104 H C -1.105 174.218 175.328 -0.009 0.000 1.109 1104 H CA -0.670 55.369 56.048 -0.015 0.000 1.192 1104 H CB 1.706 31.459 29.762 -0.016 0.000 1.555 1104 H HN 0.643 nan 8.280 nan 0.000 0.518 1105 A N 4.554 127.179 122.820 -0.325 0.000 2.479 1105 A HA 0.794 5.117 4.320 0.005 0.000 0.296 1105 A C -0.944 176.433 177.584 -0.344 0.000 1.121 1105 A CA -0.924 50.871 52.037 -0.403 0.000 0.743 1105 A CB 1.576 20.488 19.000 -0.146 0.000 1.323 1105 A HN 0.834 nan 8.150 nan 0.000 0.415 1106 R N -0.214 120.148 120.500 -0.230 0.000 2.771 1106 R HA 0.693 5.036 4.340 0.005 0.000 0.274 1106 R C -0.564 175.717 176.300 -0.031 0.000 0.987 1106 R CA 0.210 56.286 56.100 -0.041 0.000 0.908 1106 R CB 1.948 32.271 30.300 0.037 0.000 1.213 1106 R HN 1.129 nan 8.270 nan 0.000 0.468 1107 A N 3.219 126.037 122.820 -0.005 0.000 2.605 1107 A HA 0.348 4.671 4.320 0.005 0.000 0.292 1107 A C -0.408 177.172 177.584 -0.007 0.000 1.055 1107 A CA -0.139 51.892 52.037 -0.010 0.000 0.969 1107 A CB 0.127 19.122 19.000 -0.007 0.000 1.236 1107 A HN 0.754 nan 8.150 nan 0.000 0.534 1108 R N -1.012 119.486 120.500 -0.003 0.000 1.442 1108 R HA -0.102 4.241 4.340 0.005 0.000 0.413 1108 R C -0.068 176.232 176.300 -0.001 0.000 1.219 1108 R CA 0.536 56.632 56.100 -0.005 0.000 0.731 1108 R CB -1.385 28.909 30.300 -0.011 0.000 2.599 1108 R HN 0.959 nan 8.270 nan 0.000 0.502 1109 G N 4.193 112.993 108.800 0.001 0.000 3.414 1109 G HA2 0.735 4.698 3.960 0.005 0.000 0.189 1109 G HA3 0.735 4.698 3.960 0.005 0.000 0.189 1109 G C -2.378 172.512 174.900 -0.016 0.000 1.329 1109 G CA -0.195 44.902 45.100 -0.005 0.000 0.851 1109 G HN 0.504 nan 8.290 nan 0.000 0.671 1110 P HA 0.522 nan 4.420 nan 0.000 0.280 1110 P C -0.914 176.365 177.300 -0.035 0.000 1.272 1110 P CA -0.287 62.794 63.100 -0.030 0.000 0.819 1110 P CB 1.513 33.193 31.700 -0.034 0.000 1.122 1111 M N 0.055 119.626 119.600 -0.048 0.000 2.591 1111 M HA 0.350 4.833 4.480 0.005 0.000 0.306 1111 M C 0.339 176.597 176.300 -0.070 0.000 1.190 1111 M CA -0.827 54.435 55.300 -0.064 0.000 0.889 1111 M CB 1.987 34.534 32.600 -0.089 0.000 1.728 1111 M HN 0.407 nan 8.290 nan 0.000 0.458 1112 Q N 0.098 119.855 119.800 -0.073 0.000 2.584 1112 Q HA 0.162 4.505 4.340 0.005 0.000 0.218 1112 Q C 1.009 176.950 176.000 -0.097 0.000 1.079 1112 Q CA -0.128 55.634 55.803 -0.069 0.000 1.008 1112 Q CB 0.920 29.626 28.738 -0.053 0.000 1.267 1112 Q HN 0.587 nan 8.270 nan 0.000 0.586 1113 V N 0.030 119.897 119.914 -0.078 0.000 2.575 1113 V HA -0.108 4.015 4.120 0.005 0.000 0.242 1113 V C 1.704 177.733 176.094 -0.108 0.000 1.045 1113 V CA 0.687 62.934 62.300 -0.088 0.000 1.065 1113 V CB -0.545 31.249 31.823 -0.048 0.000 0.717 1113 V HN 0.617 nan 8.190 nan 0.000 0.467 1114 L N 1.457 122.642 121.223 -0.064 0.000 2.023 1114 L HA -0.084 4.259 4.340 0.005 0.000 0.205 1114 L C 2.556 179.422 176.870 -0.007 0.000 1.073 1114 L CA 2.897 57.729 54.840 -0.013 0.000 0.745 1114 L CB -0.727 41.339 42.059 0.011 0.000 0.900 1114 L HN 0.552 nan 8.230 nan 0.000 0.435 1115 T N -3.755 110.764 114.554 -0.058 0.000 3.044 1115 T HA 0.096 4.449 4.350 0.005 0.000 0.255 1115 T C 1.042 175.558 174.700 -0.306 0.000 1.073 1115 T CA 0.224 62.307 62.100 -0.030 0.000 1.125 1115 T CB -0.088 68.786 68.868 0.010 0.000 0.908 1115 T HN 0.319 nan 8.240 nan 0.000 0.480 1116 R N 1.033 121.294 120.500 -0.399 0.000 3.878 1116 R HA -0.136 4.207 4.340 0.005 0.000 0.330 1116 R C -0.337 175.845 176.300 -0.197 0.000 1.186 1116 R CA 0.476 56.336 56.100 -0.401 0.000 0.885 1116 R CB -2.031 27.846 30.300 -0.706 0.000 1.377 1116 R HN 0.585 nan 8.270 nan 0.000 0.523 1117 Q N 0.210 119.938 119.800 -0.120 0.000 2.199 1117 Q HA 0.371 4.714 4.340 0.005 0.000 0.232 1117 Q C -2.150 173.817 176.000 -0.054 0.000 0.969 1117 Q CA -2.051 53.717 55.803 -0.059 0.000 0.925 1117 Q CB 0.813 29.536 28.738 -0.025 0.000 1.198 1117 Q HN -0.142 nan 8.270 nan 0.000 0.494 1118 P HA -0.090 nan 4.420 nan 0.000 0.273 1118 P C -1.083 176.209 177.300 -0.014 0.000 1.252 1118 P CA 0.045 63.135 63.100 -0.017 0.000 0.809 1118 P CB 0.344 32.047 31.700 0.004 0.000 1.017 1119 V N -2.869 117.040 119.914 -0.008 0.000 2.407 1119 V HA 0.410 4.533 4.120 0.005 0.000 0.291 1119 V C 0.131 176.215 176.094 -0.016 0.000 1.018 1119 V CA -0.944 61.346 62.300 -0.016 0.000 0.842 1119 V CB 1.001 32.808 31.823 -0.027 0.000 0.996 1119 V HN 0.452 nan 8.190 nan 0.000 0.426 1120 E N 2.807 122.998 120.200 -0.015 0.000 2.455 1120 E HA 0.425 4.778 4.350 0.005 0.000 0.259 1120 E C 0.775 177.348 176.600 -0.045 0.000 1.245 1120 E CA 1.291 57.681 56.400 -0.017 0.000 1.013 1120 E CB 0.724 30.417 29.700 -0.013 0.000 0.978 1120 E HN 1.649 nan 8.360 nan 0.000 0.479 1121 G N 0.770 109.538 108.800 -0.052 0.000 2.660 1121 G HA2 -0.286 3.677 3.960 0.005 0.000 0.215 1121 G HA3 -0.286 3.677 3.960 0.005 0.000 0.215 1121 G C 0.255 175.054 174.900 -0.169 0.000 1.345 1121 G CA 0.342 45.389 45.100 -0.088 0.000 0.877 1121 G HN 0.710 nan 8.290 nan 0.000 0.549 1122 R N -1.399 118.958 120.500 -0.238 0.000 2.287 1122 R HA 0.372 4.715 4.340 0.005 0.000 0.197 1122 R C 2.521 178.610 176.300 -0.352 0.000 0.900 1122 R CA 1.416 57.207 56.100 -0.515 0.000 1.052 1122 R CB -0.469 29.589 30.300 -0.403 0.000 1.117 1122 R HN 1.219 nan 8.270 nan 0.000 0.568 1123 S N 1.020 116.606 115.700 -0.191 0.000 2.493 1123 S HA -0.080 4.393 4.470 0.005 0.000 0.243 1123 S C 1.117 175.655 174.600 -0.105 0.000 0.991 1123 S CA 0.628 58.755 58.200 -0.121 0.000 0.957 1123 S CB -0.118 63.032 63.200 -0.084 0.000 0.756 1123 S HN 0.455 nan 8.310 nan 0.000 0.521 1124 R N 0.744 121.171 120.500 -0.121 0.000 2.652 1124 R HA 0.325 4.668 4.340 0.005 0.000 0.372 1124 R C -0.404 175.848 176.300 -0.081 0.000 1.104 1124 R CA 0.287 56.336 56.100 -0.085 0.000 1.072 1124 R CB -0.180 30.082 30.300 -0.063 0.000 1.367 1124 R HN 0.308 nan 8.270 nan 0.000 0.577 1125 D N 0.540 120.874 120.400 -0.109 0.000 2.737 1125 D HA -0.142 4.501 4.640 0.005 0.000 0.238 1125 D C 0.682 176.977 176.300 -0.008 0.000 1.157 1125 D CA 0.995 54.968 54.000 -0.045 0.000 0.694 1125 D CB -0.749 40.057 40.800 0.010 0.000 1.021 1125 D HN 0.461 nan 8.370 nan 0.000 0.420 1126 G N -0.194 108.504 108.800 -0.170 0.000 2.332 1126 G HA2 0.469 4.432 3.960 0.005 0.000 0.311 1126 G HA3 0.469 4.432 3.960 0.005 0.000 0.311 1126 G C 0.744 175.747 174.900 0.172 0.000 1.392 1126 G CA 0.052 45.130 45.100 -0.036 0.000 1.110 1126 G HN 0.647 nan 8.290 nan 0.000 0.594 1127 G N -2.328 106.567 108.800 0.158 0.000 3.042 1127 G HA2 0.569 4.532 3.960 0.005 0.000 0.278 1127 G HA3 0.569 4.532 3.960 0.005 0.000 0.278 1127 G C -1.563 173.430 174.900 0.155 0.000 1.371 1127 G CA -0.895 44.293 45.100 0.146 0.000 1.009 1127 G HN 0.561 nan 8.290 nan 0.000 0.523 1128 L N 0.524 121.806 121.223 0.098 0.000 2.349 1128 L HA 0.476 4.819 4.340 0.005 0.000 0.278 1128 L C 0.640 177.565 176.870 0.090 0.000 0.996 1128 L CA -0.846 54.046 54.840 0.087 0.000 0.825 1128 L CB 1.981 44.078 42.059 0.063 0.000 1.243 1128 L HN 0.607 nan 8.230 nan 0.000 0.412 1129 R N 3.388 123.931 120.500 0.071 0.000 2.507 1129 R HA -0.050 4.293 4.340 0.005 0.000 0.341 1129 R C -0.573 175.780 176.300 0.088 0.000 0.960 1129 R CA -0.155 55.989 56.100 0.073 0.000 1.032 1129 R CB 0.010 30.331 30.300 0.035 0.000 0.933 1129 R HN 0.402 nan 8.270 nan 0.000 0.418 1130 F N 4.994 124.949 119.950 0.009 0.000 2.506 1130 F HA 0.199 4.729 4.527 0.005 0.000 0.369 1130 F C 0.880 176.692 175.800 0.020 0.000 1.114 1130 F CA 0.437 58.447 58.000 0.017 0.000 1.121 1130 F CB 0.214 39.218 39.000 0.006 0.000 1.104 1130 F HN 0.690 nan 8.300 nan 0.000 0.564 1131 G N 5.320 113.897 108.800 -0.372 0.000 2.305 1131 G HA2 -0.083 3.880 3.960 0.005 0.000 0.243 1131 G HA3 -0.083 3.880 3.960 0.005 0.000 0.243 1131 G C 0.901 175.687 174.900 -0.190 0.000 1.288 1131 G CA -0.119 44.841 45.100 -0.234 0.000 0.901 1131 G HN 0.882 nan 8.290 nan 0.000 0.516 1132 E N 2.222 122.394 120.200 -0.047 0.000 2.097 1132 E HA -0.246 4.107 4.350 0.005 0.000 0.196 1132 E C 2.111 178.684 176.600 -0.044 0.000 1.000 1132 E CA 1.115 57.515 56.400 -0.001 0.000 0.804 1132 E CB -0.057 29.651 29.700 0.014 0.000 0.740 1132 E HN 0.663 nan 8.360 nan 0.000 0.454 1133 M N 0.138 119.693 119.600 -0.074 0.000 2.346 1133 M HA -0.182 4.301 4.480 0.005 0.000 0.263 1133 M C 1.110 177.336 176.300 -0.124 0.000 1.064 1133 M CA 1.505 56.757 55.300 -0.081 0.000 1.083 1133 M CB 0.114 32.669 32.600 -0.075 0.000 1.399 1133 M HN 0.018 nan 8.290 nan 0.000 0.435 1134 E N -0.810 119.247 120.200 -0.239 0.000 2.340 1134 E HA -0.019 4.334 4.350 0.005 0.000 0.194 1134 E C 1.782 178.213 176.600 -0.281 0.000 0.996 1134 E CA 0.272 56.456 56.400 -0.359 0.000 0.869 1134 E CB -0.103 29.181 29.700 -0.694 0.000 0.835 1134 E HN 0.368 nan 8.360 nan 0.000 0.493 1135 R N 1.020 121.449 120.500 -0.119 0.000 2.120 1135 R HA -0.157 4.186 4.340 0.005 0.000 0.234 1135 R C 0.602 176.994 176.300 0.154 0.000 1.123 1135 R CA 1.529 57.792 56.100 0.272 0.000 0.975 1135 R CB -0.006 30.457 30.300 0.272 0.000 0.866 1135 R HN 0.105 nan 8.270 nan 0.000 0.446 1136 D N -0.198 120.229 120.400 0.044 0.000 2.269 1136 D HA -0.082 4.561 4.640 0.005 0.000 0.208 1136 D C 1.518 177.815 176.300 -0.005 0.000 0.963 1136 D CA 0.815 54.827 54.000 0.018 0.000 0.864 1136 D CB -0.046 40.748 40.800 -0.010 0.000 0.936 1136 D HN 0.335 nan 8.370 nan 0.000 0.505 1137 C N 0.094 119.388 119.300 -0.009 0.000 2.594 1137 C HA 0.156 4.619 4.460 0.005 0.000 0.265 1137 C C 2.368 177.369 174.990 0.018 0.000 1.351 1137 C CA -0.263 58.725 59.018 -0.050 0.000 1.744 1137 C CB -0.499 27.210 27.740 -0.052 0.000 1.890 1137 C HN 0.212 nan 8.230 nan 0.000 0.551 1138 M N 1.013 120.707 119.600 0.156 0.000 2.115 1138 M HA 0.091 4.574 4.480 0.005 0.000 0.261 1138 M C 1.939 178.330 176.300 0.152 0.000 1.079 1138 M CA 1.440 56.881 55.300 0.235 0.000 1.143 1138 M CB -0.888 31.948 32.600 0.394 0.000 1.332 1138 M HN 0.220 nan 8.290 nan 0.000 0.421 1139 I N 0.048 120.690 120.570 0.120 0.000 2.103 1139 I HA -0.423 3.750 4.170 0.005 0.000 0.241 1139 I C 2.389 178.524 176.117 0.029 0.000 1.036 1139 I CA 1.794 63.137 61.300 0.072 0.000 1.300 1139 I CB -0.970 37.062 38.000 0.053 0.000 1.010 1139 I HN 0.336 nan 8.210 nan 0.000 0.406 1140 A N -0.075 122.728 122.820 -0.029 0.000 1.927 1140 A HA -0.296 4.027 4.320 0.005 0.000 0.220 1140 A C 2.166 179.676 177.584 -0.125 0.000 1.185 1140 A CA 2.175 54.144 52.037 -0.114 0.000 0.639 1140 A CB -1.041 17.829 19.000 -0.216 0.000 0.820 1140 A HN 0.527 nan 8.150 nan 0.000 0.451 1141 H N -1.564 117.506 119.070 -0.000 0.000 2.529 1141 H HA 0.152 4.711 4.556 0.005 0.000 0.277 1141 H C 1.923 177.245 175.328 -0.011 0.000 0.999 1141 H CA 0.860 56.897 56.048 -0.018 0.000 1.256 1141 H CB -0.175 29.559 29.762 -0.047 0.000 1.402 1141 H HN 0.699 nan 8.280 nan 0.000 0.566 1142 G N 0.197 109.063 108.800 0.111 0.000 2.179 1142 G HA2 -0.292 3.671 3.960 0.005 0.000 0.260 1142 G HA3 -0.292 3.671 3.960 0.005 0.000 0.260 1142 G C 0.616 175.562 174.900 0.076 0.000 0.977 1142 G CA 0.362 45.507 45.100 0.075 0.000 0.641 1142 G HN 0.706 nan 8.290 nan 0.000 0.533 1143 A N 0.085 122.960 122.820 0.092 0.000 2.438 1143 A HA 0.795 5.118 4.320 0.005 0.000 0.280 1143 A C 1.317 178.976 177.584 0.124 0.000 1.160 1143 A CA 1.110 53.191 52.037 0.074 0.000 0.821 1143 A CB 0.555 19.551 19.000 -0.006 0.000 1.101 1143 A HN 1.723 nan 8.150 nan 0.000 0.515 1144 A N 2.127 125.010 122.820 0.105 0.000 1.984 1144 A HA 0.200 4.524 4.320 0.005 0.000 0.203 1144 A C 2.194 179.835 177.584 0.095 0.000 1.292 1144 A CA 1.180 53.276 52.037 0.098 0.000 0.782 1144 A CB -0.559 18.479 19.000 0.064 0.000 0.924 1144 A HN 0.781 nan 8.150 nan 0.000 0.475 1145 S N -1.043 114.711 115.700 0.089 0.000 2.423 1145 S HA -0.099 4.374 4.470 0.005 0.000 0.231 1145 S C 1.613 176.260 174.600 0.079 0.000 1.014 1145 S CA 1.318 59.555 58.200 0.063 0.000 0.965 1145 S CB -0.547 62.682 63.200 0.048 0.000 0.785 1145 S HN 0.542 nan 8.310 nan 0.000 0.495 1146 F N 1.178 121.106 119.950 -0.036 0.000 2.293 1146 F HA 0.116 4.646 4.527 0.005 0.000 0.300 1146 F C 1.639 177.375 175.800 -0.107 0.000 1.086 1146 F CA 1.060 59.025 58.000 -0.059 0.000 1.375 1146 F CB -0.006 38.974 39.000 -0.034 0.000 1.045 1146 F HN 0.198 nan 8.300 nan 0.000 0.516 1147 L N 0.004 121.247 121.223 0.033 0.000 2.477 1147 L HA -0.007 4.336 4.340 0.005 0.000 0.220 1147 L C 2.198 178.981 176.870 -0.145 0.000 1.106 1147 L CA 0.522 55.315 54.840 -0.078 0.000 0.851 1147 L CB -0.369 41.746 42.059 0.094 0.000 0.994 1147 L HN 0.141 nan 8.230 nan 0.000 0.462 1148 K N 0.422 120.760 120.400 -0.104 0.000 2.098 1148 K HA -0.199 4.124 4.320 0.005 0.000 0.203 1148 K C 1.851 178.359 176.600 -0.153 0.000 1.051 1148 K CA 1.270 57.501 56.287 -0.095 0.000 0.957 1148 K CB 0.248 32.718 32.500 -0.049 0.000 0.738 1148 K HN 0.356 nan 8.250 nan 0.000 0.447 1149 E N 0.383 120.463 120.200 -0.199 0.000 2.072 1149 E HA -0.156 4.197 4.350 0.005 0.000 0.190 1149 E C 1.970 178.382 176.600 -0.314 0.000 0.982 1149 E CA 0.595 56.860 56.400 -0.224 0.000 0.803 1149 E CB 0.054 29.632 29.700 -0.205 0.000 0.755 1149 E HN 0.066 nan 8.360 nan 0.000 0.453 1150 R N -0.028 120.167 120.500 -0.509 0.000 2.091 1150 R HA -0.076 4.267 4.340 0.005 0.000 0.238 1150 R C 0.457 176.532 176.300 -0.375 0.000 1.136 1150 R CA 0.765 56.517 56.100 -0.580 0.000 0.959 1150 R CB -0.489 29.206 30.300 -1.009 0.000 0.856 1150 R HN 0.223 nan 8.270 nan 0.000 0.437 1151 L N 1.187 122.227 121.223 -0.305 0.000 2.407 1151 L HA 0.189 4.532 4.340 0.005 0.000 0.261 1151 L C 0.649 177.455 176.870 -0.107 0.000 1.108 1151 L CA 0.364 55.104 54.840 -0.167 0.000 0.995 1151 L CB 0.906 42.893 42.059 -0.120 0.000 1.349 1151 L HN 0.093 nan 8.230 nan 0.000 0.423 1152 M N -1.236 118.310 119.600 -0.090 0.000 1.417 1152 M HA -0.130 4.353 4.480 0.005 0.000 0.569 1152 M C 1.254 177.520 176.300 -0.057 0.000 2.224 1152 M CA 0.240 55.509 55.300 -0.053 0.000 0.520 1152 M CB -0.577 31.988 32.600 -0.060 0.000 4.349 1152 M HN 0.212 nan 8.290 nan 0.000 0.641 1153 E N 1.253 121.403 120.200 -0.083 0.000 2.200 1153 E HA -0.137 4.216 4.350 0.005 0.000 0.211 1153 E C 1.533 178.096 176.600 -0.063 0.000 1.048 1153 E CA 2.616 58.970 56.400 -0.077 0.000 0.851 1153 E CB -0.355 29.286 29.700 -0.097 0.000 0.747 1153 E HN 0.590 nan 8.360 nan 0.000 0.462 1154 A N -0.907 121.866 122.820 -0.079 0.000 2.930 1154 A HA 0.222 4.545 4.320 0.005 0.000 0.213 1154 A C 1.952 179.506 177.584 -0.050 0.000 2.276 1154 A CA 0.891 52.889 52.037 -0.065 0.000 1.182 1154 A CB -0.965 17.984 19.000 -0.084 0.000 1.301 1154 A HN 0.149 nan 8.150 nan 0.000 0.481 1155 S N -0.086 115.581 115.700 -0.055 0.000 2.412 1155 S HA -0.349 4.124 4.470 0.005 0.000 0.311 1155 S C 1.126 175.713 174.600 -0.022 0.000 1.182 1155 S CA 2.815 60.994 58.200 -0.034 0.000 1.365 1155 S CB -0.720 62.459 63.200 -0.034 0.000 1.295 1155 S HN 0.684 nan 8.310 nan 0.000 0.463 1156 D N -0.814 119.582 120.400 -0.007 0.000 3.361 1156 D HA 0.718 5.361 4.640 0.005 0.000 0.202 1156 D C 0.194 176.529 176.300 0.059 0.000 1.208 1156 D CA 0.777 54.796 54.000 0.032 0.000 1.397 1156 D CB -0.163 40.684 40.800 0.078 0.000 0.948 1156 D HN 0.962 nan 8.370 nan 0.000 0.167 1157 A N -0.727 122.155 122.820 0.104 0.000 2.443 1157 A HA 0.250 4.573 4.320 0.005 0.000 0.686 1157 A C -0.731 177.040 177.584 0.311 0.000 0.144 1157 A CA 0.151 52.280 52.037 0.153 0.000 0.033 1157 A CB -1.045 18.000 19.000 0.074 0.000 3.972 1157 A HN 0.783 nan 8.150 nan 0.000 0.548 1158 F N 1.135 121.158 119.950 0.121 0.000 2.728 1158 F HA 0.549 5.079 4.527 0.005 0.000 0.315 1158 F C -0.745 175.113 175.800 0.097 0.000 1.096 1158 F CA -0.272 57.805 58.000 0.129 0.000 0.997 1158 F CB 0.920 40.026 39.000 0.178 0.000 1.252 1158 F HN 0.951 nan 8.300 nan 0.000 0.458 1159 R N 5.476 125.725 120.500 -0.419 0.000 2.278 1159 R HA 0.639 4.982 4.340 0.005 0.000 0.322 1159 R C -1.698 174.082 176.300 -0.867 0.000 1.058 1159 R CA -0.178 55.604 56.100 -0.531 0.000 0.991 1159 R CB 0.697 30.831 30.300 -0.277 0.000 1.140 1159 R HN 0.497 nan 8.270 nan 0.000 0.518 1160 V N 3.837 123.279 119.914 -0.786 0.000 2.973 1160 V HA 0.358 4.481 4.120 0.005 0.000 0.314 1160 V C 0.242 175.986 176.094 -0.583 0.000 1.066 1160 V CA -0.685 61.241 62.300 -0.623 0.000 1.021 1160 V CB 1.742 33.336 31.823 -0.383 0.000 1.076 1160 V HN 0.621 nan 8.190 nan 0.000 0.462 1161 H N 2.976 121.940 119.070 -0.177 0.000 2.505 1161 H HA 0.519 5.078 4.556 0.005 0.000 0.338 1161 H C -0.950 174.319 175.328 -0.100 0.000 1.057 1161 H CA -0.527 55.429 56.048 -0.153 0.000 1.202 1161 H CB 1.840 31.509 29.762 -0.156 0.000 1.466 1161 H HN 0.279 nan 8.280 nan 0.000 0.499 1162 I N 2.155 122.736 120.570 0.019 0.000 2.441 1162 I HA 0.055 4.228 4.170 0.005 0.000 0.295 1162 I C 0.650 176.775 176.117 0.014 0.000 0.994 1162 I CA -0.588 60.722 61.300 0.017 0.000 1.144 1162 I CB 1.715 39.724 38.000 0.014 0.000 1.314 1162 I HN 0.534 nan 8.210 nan 0.000 0.445 1163 C N 4.992 124.295 119.300 0.005 0.000 2.514 1163 C HA 0.451 4.914 4.460 0.005 0.000 0.392 1163 C C 1.862 176.845 174.990 -0.013 0.000 1.294 1163 C CA -0.150 58.863 59.018 -0.007 0.000 1.957 1163 C CB 0.053 27.790 27.740 -0.006 0.000 2.541 1163 C HN 1.033 nan 8.230 nan 0.000 0.569 1164 G N 5.381 114.196 108.800 0.024 0.000 2.448 1164 G HA2 -0.065 3.898 3.960 0.005 0.000 0.219 1164 G HA3 -0.065 3.898 3.960 0.005 0.000 0.219 1164 G C 1.085 175.905 174.900 -0.133 0.000 1.127 1164 G CA 0.994 46.098 45.100 0.006 0.000 0.766 1164 G HN 0.733 nan 8.290 nan 0.000 0.552 1165 I N 1.200 121.728 120.570 -0.071 0.000 4.236 1165 I HA 0.094 4.267 4.170 0.005 0.000 0.224 1165 I C 1.260 177.358 176.117 -0.032 0.000 0.995 1165 I CA -0.568 60.700 61.300 -0.053 0.000 1.505 1165 I CB -1.708 36.285 38.000 -0.011 0.000 1.378 1165 I HN -0.015 nan 8.210 nan 0.000 0.438 1166 c N 3.178 121.783 118.600 0.008 0.000 2.616 1166 c HA 0.291 4.864 4.570 0.005 0.000 0.402 1166 c C 1.589 175.701 174.090 0.037 0.000 1.436 1166 c CA -0.892 55.460 56.329 0.038 0.000 1.521 1166 c CB -1.489 41.039 42.510 0.029 0.000 2.413 1166 c HN 0.727 nan 8.230 nan 0.000 0.617 1167 G N 3.713 112.577 108.800 0.107 0.000 3.356 1167 G HA2 0.326 4.289 3.960 0.005 0.000 0.239 1167 G HA3 0.326 4.289 3.960 0.005 0.000 0.239 1167 G C 0.171 175.103 174.900 0.053 0.000 1.252 1167 G CA 0.082 45.252 45.100 0.118 0.000 1.611 1167 G HN 0.768 nan 8.290 nan 0.000 0.580 1168 L N -1.639 119.600 121.223 0.026 0.000 2.171 1168 L HA 0.534 4.877 4.340 0.005 0.000 0.253 1168 L C 0.739 177.625 176.870 0.027 0.000 1.054 1168 L CA -1.204 53.646 54.840 0.016 0.000 0.927 1168 L CB 1.439 43.508 42.059 0.016 0.000 1.513 1168 L HN 0.002 nan 8.230 nan 0.000 0.471 1169 M N 0.048 119.672 119.600 0.040 0.000 3.346 1169 M HA 0.162 4.645 4.480 0.005 0.000 0.240 1169 M C 0.340 176.672 176.300 0.054 0.000 1.190 1169 M CA -0.123 55.208 55.300 0.051 0.000 1.192 1169 M CB 0.009 32.650 32.600 0.067 0.000 1.182 1169 M HN 0.542 nan 8.290 nan 0.000 0.570 1170 T N -0.849 113.731 114.554 0.043 0.000 3.023 1170 T HA 0.036 4.389 4.350 0.005 0.000 0.266 1170 T C 0.963 175.691 174.700 0.048 0.000 1.093 1170 T CA 0.287 62.413 62.100 0.042 0.000 1.129 1170 T CB -0.055 68.833 68.868 0.033 0.000 0.899 1170 T HN 0.285 nan 8.240 nan 0.000 0.491 1171 V N 3.031 122.975 119.914 0.050 0.000 2.506 1171 V HA 0.015 4.138 4.120 0.005 0.000 0.296 1171 V C 0.454 176.594 176.094 0.077 0.000 1.004 1171 V CA 0.090 62.424 62.300 0.056 0.000 1.150 1171 V CB -0.641 31.210 31.823 0.047 0.000 0.911 1171 V HN 0.415 nan 8.190 nan 0.000 0.476 1172 I N 4.859 125.473 120.570 0.074 0.000 2.322 1172 I HA 0.292 4.465 4.170 0.005 0.000 0.292 1172 I C 0.930 177.105 176.117 0.098 0.000 1.060 1172 I CA 0.073 61.419 61.300 0.078 0.000 1.309 1172 I CB 1.003 39.037 38.000 0.055 0.000 1.415 1172 I HN 0.708 nan 8.210 nan 0.000 0.492 1173 A N 7.006 129.890 122.820 0.107 0.000 3.056 1173 A HA 0.196 4.519 4.320 0.005 0.000 0.274 1173 A C 0.565 178.187 177.584 0.064 0.000 1.661 1173 A CA -0.430 51.678 52.037 0.118 0.000 1.363 1173 A CB -0.605 18.469 19.000 0.123 0.000 1.139 1173 A HN 0.674 nan 8.150 nan 0.000 0.598 1174 K N 1.568 121.972 120.400 0.006 0.000 2.408 1174 K HA 0.189 4.512 4.320 0.005 0.000 0.231 1174 K C -0.006 176.547 176.600 -0.078 0.000 1.261 1174 K CA 0.033 56.312 56.287 -0.013 0.000 1.193 1174 K CB -0.401 32.084 32.500 -0.025 0.000 1.431 1174 K HN 0.723 nan 8.250 nan 0.000 0.243 1175 L N 1.106 122.296 121.223 -0.055 0.000 2.464 1175 L HA -0.034 4.309 4.340 0.005 0.000 0.264 1175 L C 1.155 177.932 176.870 -0.155 0.000 1.199 1175 L CA 0.369 55.145 54.840 -0.106 0.000 0.818 1175 L CB 0.391 42.454 42.059 0.006 0.000 1.102 1175 L HN 0.676 nan 8.230 nan 0.000 0.473 1176 N N -0.195 118.388 118.700 -0.196 0.000 2.967 1176 N HA -0.248 4.495 4.740 0.005 0.000 0.218 1176 N C 0.498 175.747 175.510 -0.436 0.000 0.870 1176 N CA 1.755 54.631 53.050 -0.291 0.000 1.030 1176 N CB -0.916 37.377 38.487 -0.323 0.000 1.027 1176 N HN 0.771 nan 8.380 nan 0.000 0.603 1177 H N -0.253 118.729 119.070 -0.146 0.000 2.672 1177 H HA 0.331 4.890 4.556 0.005 0.000 0.277 1177 H C 0.955 176.145 175.328 -0.230 0.000 1.074 1177 H CA 0.360 56.317 56.048 -0.151 0.000 1.173 1177 H CB 0.271 29.957 29.762 -0.126 0.000 1.558 1177 H HN 0.298 nan 8.280 nan 0.000 0.539 1178 N N 0.874 119.412 118.700 -0.269 0.000 2.922 1178 N HA -0.234 4.509 4.740 0.005 0.000 0.224 1178 N C -0.018 175.043 175.510 -0.748 0.000 0.833 1178 N CA 1.022 53.785 53.050 -0.478 0.000 1.103 1178 N CB -0.831 37.516 38.487 -0.232 0.000 1.000 1178 N HN 0.516 nan 8.380 nan 0.000 0.621 1179 Q N -0.103 119.431 119.800 -0.443 0.000 2.239 1179 Q HA 0.094 4.437 4.340 0.005 0.000 0.286 1179 Q C 0.534 176.247 176.000 -0.480 0.000 1.102 1179 Q CA 0.515 56.116 55.803 -0.337 0.000 0.936 1179 Q CB 0.178 28.820 28.738 -0.160 0.000 1.127 1179 Q HN 0.361 nan 8.270 nan 0.000 0.380 1180 F N 0.842 120.750 119.950 -0.070 0.000 2.485 1180 F HA 0.103 4.633 4.527 0.005 0.000 0.274 1180 F C 0.150 175.909 175.800 -0.068 0.000 0.963 1180 F CA -0.415 57.525 58.000 -0.100 0.000 1.169 1180 F CB 0.452 39.367 39.000 -0.143 0.000 1.145 1180 F HN 0.498 nan 8.300 nan 0.000 0.682 1181 E N -0.609 119.683 120.200 0.153 0.000 8.052 1181 E HA -0.282 4.071 4.350 0.005 0.000 0.466 1181 E C -1.169 175.465 176.600 0.057 0.000 0.765 1181 E CA 0.356 56.797 56.400 0.069 0.000 1.332 1181 E CB -0.741 28.979 29.700 0.033 0.000 0.986 1181 E HN 0.396 nan 8.360 nan 0.000 0.275 1182 C N 3.928 123.249 119.300 0.034 0.000 3.445 1182 C HA 0.257 4.720 4.460 0.005 0.000 0.213 1182 C C -0.008 174.995 174.990 0.021 0.000 1.319 1182 C CA -0.471 58.563 59.018 0.027 0.000 1.402 1182 C CB -0.738 27.013 27.740 0.017 0.000 1.819 1182 C HN 0.570 nan 8.230 nan 0.000 0.491 1183 K N 2.626 123.039 120.400 0.021 0.000 2.524 1183 K HA 0.452 4.775 4.320 0.005 0.000 0.279 1183 K C 1.091 177.701 176.600 0.016 0.000 0.993 1183 K CA 1.163 57.460 56.287 0.016 0.000 1.030 1183 K CB 0.366 32.875 32.500 0.014 0.000 0.891 1183 K HN 1.200 nan 8.250 nan 0.000 0.488 1184 G N 2.323 111.131 108.800 0.013 0.000 3.642 1184 G HA2 -0.334 3.629 3.960 0.005 0.000 0.205 1184 G HA3 -0.334 3.629 3.960 0.005 0.000 0.205 1184 G C 0.920 175.827 174.900 0.013 0.000 1.526 1184 G CA -0.090 45.017 45.100 0.013 0.000 1.097 1184 G HN 0.775 nan 8.290 nan 0.000 0.596 1185 c N 1.784 120.392 118.600 0.014 0.000 2.573 1185 c HA 0.457 5.030 4.570 0.005 0.000 0.273 1185 c C 1.259 175.355 174.090 0.010 0.000 1.346 1185 c CA 0.003 56.340 56.329 0.012 0.000 1.702 1185 c CB -1.123 41.394 42.510 0.013 0.000 1.751 1185 c HN 0.633 nan 8.230 nan 0.000 0.583 1186 D N 0.711 121.117 120.400 0.010 0.000 3.059 1186 D HA -0.177 4.466 4.640 0.005 0.000 0.222 1186 D C -0.033 176.271 176.300 0.008 0.000 1.185 1186 D CA 1.233 55.238 54.000 0.009 0.000 0.904 1186 D CB -1.344 39.460 40.800 0.007 0.000 1.122 1186 D HN 0.679 nan 8.370 nan 0.000 0.410 1187 N N 0.377 119.082 118.700 0.008 0.000 2.422 1187 N HA 0.146 4.889 4.740 0.005 0.000 0.264 1187 N C 0.467 175.984 175.510 0.012 0.000 1.063 1187 N CA 0.087 53.140 53.050 0.005 0.000 0.959 1187 N CB 0.609 39.095 38.487 -0.002 0.000 1.087 1187 N HN 0.073 nan 8.380 nan 0.000 0.483 1188 K N 3.156 123.564 120.400 0.013 0.000 2.438 1188 K HA 0.225 4.548 4.320 0.005 0.000 0.205 1188 K C 0.299 176.919 176.600 0.034 0.000 1.033 1188 K CA 0.105 56.411 56.287 0.031 0.000 1.089 1188 K CB 0.630 33.142 32.500 0.020 0.000 0.857 1188 K HN 0.497 nan 8.250 nan 0.000 0.522 1189 I N -2.035 118.534 120.570 -0.001 0.000 3.620 1189 I HA 0.067 4.240 4.170 0.005 0.000 0.255 1189 I C -0.001 176.051 176.117 -0.109 0.000 1.124 1189 I CA -0.262 61.019 61.300 -0.032 0.000 1.526 1189 I CB 0.009 37.995 38.000 -0.024 0.000 1.681 1189 I HN -0.178 nan 8.210 nan 0.000 0.420 1190 D N 3.935 124.282 120.400 -0.088 0.000 2.380 1190 D HA 0.309 4.952 4.640 0.005 0.000 0.270 1190 D C -0.460 175.739 176.300 -0.168 0.000 1.363 1190 D CA 1.027 54.961 54.000 -0.110 0.000 1.057 1190 D CB 0.225 41.026 40.800 0.002 0.000 1.096 1190 D HN 0.207 nan 8.370 nan 0.000 0.524 1191 I N 2.093 122.412 120.570 -0.419 0.000 2.656 1191 I HA 0.222 4.395 4.170 0.005 0.000 0.292 1191 I C -1.259 174.466 176.117 -0.653 0.000 1.144 1191 I CA -0.808 60.260 61.300 -0.386 0.000 1.038 1191 I CB 2.046 39.815 38.000 -0.385 0.000 1.244 1191 I HN 0.063 nan 8.210 nan 0.000 0.420 1192 Y N 4.319 124.533 120.300 -0.142 0.000 2.346 1192 Y HA 0.351 4.904 4.550 0.005 0.000 0.332 1192 Y C -0.033 175.788 175.900 -0.131 0.000 0.985 1192 Y CA -0.585 57.440 58.100 -0.126 0.000 1.112 1192 Y CB 1.740 40.132 38.460 -0.113 0.000 1.170 1192 Y HN 0.425 nan 8.280 nan 0.000 0.447 1193 Q N 5.153 124.926 119.800 -0.045 0.000 2.297 1193 Q HA 0.352 4.695 4.340 0.005 0.000 0.267 1193 Q C -0.669 175.192 176.000 -0.232 0.000 1.006 1193 Q CA -0.160 55.510 55.803 -0.222 0.000 0.896 1193 Q CB 0.662 29.281 28.738 -0.199 0.000 1.186 1193 Q HN 0.712 nan 8.270 nan 0.000 0.392 1194 I N 1.844 122.214 120.570 -0.332 0.000 2.934 1194 I HA 0.424 4.597 4.170 0.005 0.000 0.306 1194 I C -1.553 174.328 176.117 -0.394 0.000 1.110 1194 I CA -0.797 60.339 61.300 -0.273 0.000 1.019 1194 I CB 2.123 40.062 38.000 -0.101 0.000 1.227 1194 I HN 0.676 nan 8.210 nan 0.000 0.434 1195 H N 6.346 125.372 119.070 -0.073 0.000 2.541 1195 H HA 0.609 5.168 4.556 0.005 0.000 0.316 1195 H C -0.158 175.155 175.328 -0.024 0.000 1.043 1195 H CA -0.317 55.696 56.048 -0.058 0.000 1.232 1195 H CB 1.818 31.560 29.762 -0.032 0.000 1.406 1195 H HN 0.640 nan 8.280 nan 0.000 0.469 1196 I N 0.278 120.904 120.570 0.093 0.000 2.969 1196 I HA 0.528 4.702 4.170 0.005 0.000 0.307 1196 I C -3.139 173.039 176.117 0.103 0.000 1.149 1196 I CA -2.951 58.393 61.300 0.074 0.000 1.008 1196 I CB 2.453 40.476 38.000 0.038 0.000 1.232 1196 I HN 0.114 nan 8.210 nan 0.000 0.435 1197 P HA 0.033 nan 4.420 nan 0.000 0.267 1197 P C 0.056 177.437 177.300 0.136 0.000 1.200 1197 P CA 0.375 63.528 63.100 0.089 0.000 0.772 1197 P CB 0.430 32.146 31.700 0.027 0.000 0.855 1198 Y N 3.690 124.034 120.300 0.074 0.000 2.114 1198 Y HA -0.251 4.302 4.550 0.006 0.000 0.284 1198 Y C 2.346 178.230 175.900 -0.027 0.000 1.143 1198 Y CA 2.270 60.402 58.100 0.053 0.000 1.135 1198 Y CB -0.862 37.526 38.460 -0.120 0.000 0.980 1198 Y HN 0.422 nan 8.280 nan 0.000 0.499 1199 A N 0.608 123.556 122.820 0.213 0.000 2.104 1199 A HA -0.287 4.036 4.320 0.005 0.000 0.223 1199 A C 2.280 179.795 177.584 -0.115 0.000 1.164 1199 A CA 2.090 54.176 52.037 0.082 0.000 0.659 1199 A CB -1.472 17.568 19.000 0.066 0.000 0.808 1199 A HN 0.691 nan 8.150 nan 0.000 0.465 1200 A N -0.138 122.559 122.820 -0.206 0.000 1.843 1200 A HA -0.076 4.247 4.320 0.005 0.000 0.213 1200 A C 2.137 179.299 177.584 -0.704 0.000 1.202 1200 A CA 1.725 53.478 52.037 -0.472 0.000 0.607 1200 A CB -0.484 18.238 19.000 -0.465 0.000 0.847 1200 A HN 0.437 nan 8.150 nan 0.000 0.445 1201 K N 0.028 120.139 120.400 -0.481 0.000 2.089 1201 K HA -0.184 4.140 4.320 0.005 0.000 0.210 1201 K C 1.862 178.295 176.600 -0.279 0.000 1.048 1201 K CA 1.657 57.758 56.287 -0.309 0.000 0.926 1201 K CB -0.533 31.883 32.500 -0.140 0.000 0.714 1201 K HN 0.385 nan 8.250 nan 0.000 0.448 1202 L N 1.395 122.391 121.223 -0.378 0.000 2.012 1202 L HA -0.205 4.138 4.340 0.005 0.000 0.210 1202 L C 2.641 179.447 176.870 -0.106 0.000 1.073 1202 L CA 1.479 56.187 54.840 -0.219 0.000 0.748 1202 L CB -0.958 41.027 42.059 -0.125 0.000 0.891 1202 L HN 0.307 nan 8.230 nan 0.000 0.431 1203 L N -0.225 120.903 121.223 -0.158 0.000 2.013 1203 L HA -0.256 4.087 4.340 0.005 0.000 0.212 1203 L C 2.395 179.314 176.870 0.081 0.000 1.073 1203 L CA 1.978 56.773 54.840 -0.075 0.000 0.753 1203 L CB -0.864 41.109 42.059 -0.144 0.000 0.890 1203 L HN 0.149 nan 8.230 nan 0.000 0.432 1204 F N -0.773 119.168 119.950 -0.016 0.000 2.075 1204 F HA -0.267 4.263 4.527 0.005 0.000 0.297 1204 F C 2.632 178.428 175.800 -0.008 0.000 1.113 1204 F CA 1.048 59.042 58.000 -0.009 0.000 1.218 1204 F CB -0.481 38.513 39.000 -0.010 0.000 0.984 1204 F HN 0.188 nan 8.300 nan 0.000 0.472 1205 Q N 0.696 120.603 119.800 0.178 0.000 1.967 1205 Q HA -0.285 4.058 4.340 0.005 0.000 0.210 1205 Q C 2.020 178.068 176.000 0.080 0.000 1.005 1205 Q CA 2.216 58.077 55.803 0.098 0.000 0.862 1205 Q CB -0.417 28.347 28.738 0.044 0.000 0.939 1205 Q HN 0.455 nan 8.270 nan 0.000 0.417 1206 E N 0.404 120.641 120.200 0.062 0.000 2.095 1206 E HA -0.270 4.084 4.350 0.005 0.000 0.212 1206 E C 2.094 178.732 176.600 0.063 0.000 1.044 1206 E CA 1.520 57.953 56.400 0.054 0.000 0.857 1206 E CB -0.330 29.397 29.700 0.046 0.000 0.764 1206 E HN 0.296 nan 8.360 nan 0.000 0.462 1207 L N 0.023 121.299 121.223 0.088 0.000 1.978 1207 L HA -0.306 4.037 4.340 0.005 0.000 0.218 1207 L C 2.686 179.590 176.870 0.056 0.000 1.075 1207 L CA 1.588 56.476 54.840 0.081 0.000 0.767 1207 L CB -0.378 41.751 42.059 0.118 0.000 0.890 1207 L HN 0.300 nan 8.230 nan 0.000 0.434 1208 M N -1.017 118.619 119.600 0.061 0.000 2.106 1208 M HA -0.258 4.225 4.480 0.005 0.000 0.259 1208 M C 2.306 178.627 176.300 0.035 0.000 1.068 1208 M CA 2.114 57.438 55.300 0.041 0.000 1.100 1208 M CB -0.530 32.098 32.600 0.047 0.000 1.351 1208 M HN 0.361 nan 8.290 nan 0.000 0.404 1209 A N -0.639 122.205 122.820 0.040 0.000 2.014 1209 A HA -0.048 4.275 4.320 0.005 0.000 0.218 1209 A C 1.980 179.581 177.584 0.029 0.000 1.163 1209 A CA 0.916 52.973 52.037 0.033 0.000 0.652 1209 A CB -0.541 18.480 19.000 0.035 0.000 0.808 1209 A HN 0.519 nan 8.150 nan 0.000 0.449 1210 M N 0.168 119.786 119.600 0.031 0.000 2.654 1210 M HA 0.103 4.586 4.480 0.005 0.000 0.217 1210 M C 0.360 176.672 176.300 0.021 0.000 1.183 1210 M CA 0.180 55.495 55.300 0.026 0.000 0.991 1210 M CB -0.596 32.022 32.600 0.029 0.000 1.749 1210 M HN 0.550 nan 8.290 nan 0.000 0.475 1211 N N 1.304 120.016 118.700 0.020 0.000 2.758 1211 N HA -0.173 4.570 4.740 0.005 0.000 0.248 1211 N C -1.364 174.151 175.510 0.008 0.000 1.076 1211 N CA 0.529 53.587 53.050 0.014 0.000 0.696 1211 N CB -0.745 37.749 38.487 0.011 0.000 0.979 1211 N HN 0.453 nan 8.380 nan 0.000 0.550 1212 I N 1.186 121.761 120.570 0.008 0.000 2.512 1212 I HA 0.123 4.296 4.170 0.005 0.000 0.287 1212 I C 0.399 176.508 176.117 -0.013 0.000 1.069 1212 I CA -0.678 60.621 61.300 -0.003 0.000 1.056 1212 I CB 1.956 39.956 38.000 0.001 0.000 1.229 1212 I HN 0.059 nan 8.210 nan 0.000 0.429 1213 T N 3.441 117.979 114.554 -0.026 0.000 2.738 1213 T HA 0.419 4.772 4.350 0.005 0.000 0.294 1213 T C -2.353 172.295 174.700 -0.085 0.000 0.914 1213 T CA -1.501 60.574 62.100 -0.043 0.000 1.052 1213 T CB 0.274 69.124 68.868 -0.029 0.000 0.897 1213 T HN 0.268 nan 8.240 nan 0.000 0.522 1214 P HA 0.341 nan 4.420 nan 0.000 0.284 1214 P C -0.274 176.858 177.300 -0.279 0.000 1.432 1214 P CA -0.704 62.247 63.100 -0.249 0.000 0.929 1214 P CB 0.559 32.021 31.700 -0.397 0.000 1.158 1215 R N 3.214 123.605 120.500 -0.181 0.000 2.438 1215 R HA 0.392 4.735 4.340 0.005 0.000 0.287 1215 R C 0.046 176.307 176.300 -0.066 0.000 1.077 1215 R CA -0.556 55.500 56.100 -0.073 0.000 1.034 1215 R CB 0.677 30.962 30.300 -0.026 0.000 0.993 1215 R HN 0.524 nan 8.270 nan 0.000 0.459 1216 L N 4.347 125.595 121.223 0.042 0.000 2.280 1216 L HA 0.370 4.713 4.340 0.005 0.000 0.287 1216 L C -0.855 176.167 176.870 0.253 0.000 1.023 1216 L CA -0.714 54.167 54.840 0.068 0.000 0.819 1216 L CB 0.587 42.644 42.059 -0.004 0.000 1.212 1216 L HN 0.376 nan 8.230 nan 0.000 0.420 1217 Y N 0.597 120.846 120.300 -0.085 0.000 2.429 1217 Y HA 0.248 4.801 4.550 0.005 0.000 0.342 1217 Y C 1.339 177.173 175.900 -0.110 0.000 1.004 1217 Y CA -1.263 56.781 58.100 -0.094 0.000 1.075 1217 Y CB 2.147 40.559 38.460 -0.080 0.000 1.214 1217 Y HN 0.604 nan 8.280 nan 0.000 0.455 1218 T N -2.860 111.629 114.554 -0.109 0.000 3.057 1218 T HA 0.082 4.435 4.350 0.005 0.000 0.254 1218 T C -0.162 174.462 174.700 -0.128 0.000 1.094 1218 T CA 0.248 62.249 62.100 -0.165 0.000 1.088 1218 T CB -0.331 68.317 68.868 -0.366 0.000 0.934 1218 T HN 0.547 nan 8.240 nan 0.000 0.497 1219 D N -0.005 120.335 120.400 -0.100 0.000 2.256 1219 D HA 0.432 5.075 4.640 0.005 0.000 0.246 1219 D C 1.027 177.327 176.300 -0.001 0.000 1.042 1219 D CA -1.128 52.835 54.000 -0.061 0.000 0.841 1219 D CB 1.358 42.106 40.800 -0.086 0.000 1.223 1219 D HN -0.343 nan 8.370 nan 0.000 0.470 1220 R N 1.007 121.506 120.500 -0.003 0.000 2.139 1220 R HA -0.047 4.296 4.340 0.005 0.000 0.243 1220 R C 0.213 176.524 176.300 0.018 0.000 1.145 1220 R CA 0.580 56.685 56.100 0.008 0.000 0.976 1220 R CB -0.538 29.765 30.300 0.004 0.000 0.866 1220 R HN 0.504 nan 8.270 nan 0.000 0.449 1221 S N 0.597 116.309 115.700 0.021 0.000 2.558 1221 S HA 0.048 4.521 4.470 0.005 0.000 0.288 1221 S C 1.358 175.986 174.600 0.048 0.000 1.318 1221 S CA -0.226 57.993 58.200 0.031 0.000 1.056 1221 S CB 1.177 64.393 63.200 0.026 0.000 0.853 1221 S HN 0.164 nan 8.310 nan 0.000 0.505 1222 R N 1.936 122.467 120.500 0.051 0.000 2.060 1222 R HA 0.090 4.433 4.340 0.005 0.000 0.218 1222 R C 0.030 176.378 176.300 0.079 0.000 1.200 1222 R CA 0.889 57.024 56.100 0.058 0.000 0.935 1222 R CB -0.285 30.056 30.300 0.068 0.000 0.814 1222 R HN 0.653 nan 8.270 nan 0.000 0.460 1223 D N -3.299 117.163 120.400 0.103 0.000 4.398 1223 D HA 0.049 4.692 4.640 0.005 0.000 0.135 1223 D C -1.023 175.368 176.300 0.153 0.000 0.416 1223 D CA -0.022 54.039 54.000 0.102 0.000 0.595 1223 D CB -0.566 40.290 40.800 0.093 0.000 1.645 1223 D HN 0.024 nan 8.370 nan 0.000 0.054 1224 F N 0.000 119.952 119.950 0.004 0.000 2.286 1224 F HA 0.000 4.530 4.527 0.005 0.000 0.279 1224 F CA 0.000 58.001 58.000 0.001 0.000 1.383 1224 F CB 0.000 38.999 39.000 -0.001 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574