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 3gtp_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 0.000 176.276 176.300 -0.040 0.000 2.045 20 D CA 0.000 53.985 54.000 -0.024 0.000 0.868 20 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 21 E N -0.744 119.422 120.200 -0.057 0.000 4.746 21 E HA -0.366 3.988 4.350 0.008 0.000 0.185 21 E C 0.892 177.426 176.600 -0.110 0.000 1.356 21 E CA 2.521 58.865 56.400 -0.093 0.000 2.233 21 E CB -1.678 27.967 29.700 -0.091 0.000 1.906 21 E HN 0.098 nan 8.360 nan 0.000 0.323 22 S N 1.855 117.510 115.700 -0.075 0.000 2.355 22 S HA 0.168 4.643 4.470 0.008 0.000 0.222 22 S C 1.229 175.798 174.600 -0.051 0.000 1.031 22 S CA 0.772 58.932 58.200 -0.066 0.000 0.993 22 S CB -0.384 62.791 63.200 -0.042 0.000 0.859 22 S HN 0.729 nan 8.310 nan 0.000 0.453 23 A N 3.026 125.827 122.820 -0.033 0.000 2.504 23 A HA 0.280 4.604 4.320 0.008 0.000 0.242 23 A C -1.912 175.665 177.584 -0.011 0.000 1.100 23 A CA -0.634 51.396 52.037 -0.012 0.000 0.786 23 A CB -0.569 18.430 19.000 -0.001 0.000 1.050 23 A HN 0.253 nan 8.150 nan 0.000 0.512 24 P HA 0.397 nan 4.420 nan 0.000 0.282 24 P C -0.381 176.914 177.300 -0.008 0.000 1.287 24 P CA -0.368 62.735 63.100 0.005 0.000 0.792 24 P CB 0.511 32.229 31.700 0.030 0.000 1.163 25 I N -0.136 120.416 120.570 -0.031 0.000 2.764 25 I HA 0.207 4.382 4.170 0.008 0.000 0.294 25 I C 0.957 177.072 176.117 -0.003 0.000 1.045 25 I CA 0.098 61.378 61.300 -0.033 0.000 1.340 25 I CB 0.806 38.737 38.000 -0.114 0.000 1.436 25 I HN 0.389 nan 8.210 nan 0.000 0.567 26 T N 1.046 115.617 114.554 0.028 0.000 2.912 26 T HA 0.541 4.896 4.350 0.008 0.000 0.288 26 T C 0.774 175.527 174.700 0.087 0.000 1.030 26 T CA -0.358 61.775 62.100 0.055 0.000 1.020 26 T CB 1.868 70.777 68.868 0.067 0.000 1.056 26 T HN 0.663 nan 8.240 nan 0.000 0.480 27 A N 1.627 124.513 122.820 0.111 0.000 1.883 27 A HA -0.266 4.058 4.320 0.008 0.000 0.222 27 A C 2.220 179.923 177.584 0.199 0.000 1.339 27 A CA 2.305 54.443 52.037 0.168 0.000 0.692 27 A CB -1.334 17.790 19.000 0.207 0.000 0.845 27 A HN 0.977 nan 8.150 nan 0.000 0.467 28 E N -0.264 120.067 120.200 0.218 0.000 2.181 28 E HA -0.292 4.062 4.350 0.008 0.000 0.225 28 E C 1.661 178.421 176.600 0.265 0.000 1.073 28 E CA 2.002 58.560 56.400 0.264 0.000 0.916 28 E CB -0.631 29.181 29.700 0.186 0.000 0.793 28 E HN 0.646 nan 8.360 nan 0.000 0.472 29 D N -0.313 120.200 120.400 0.188 0.000 2.271 29 D HA -0.140 4.504 4.640 0.008 0.000 0.207 29 D C 1.943 178.373 176.300 0.216 0.000 0.983 29 D CA 1.426 55.536 54.000 0.182 0.000 0.878 29 D CB -0.273 40.600 40.800 0.123 0.000 0.920 29 D HN 0.264 nan 8.370 nan 0.000 0.479 30 S N -0.889 114.920 115.700 0.182 0.000 2.474 30 S HA -0.148 4.327 4.470 0.008 0.000 0.235 30 S C 1.864 176.464 174.600 -0.000 0.000 0.997 30 S CA 0.147 58.449 58.200 0.169 0.000 0.949 30 S CB -0.735 62.555 63.200 0.151 0.000 0.766 30 S HN 0.375 nan 8.310 nan 0.000 0.517 31 W N 1.944 123.331 121.300 0.146 0.000 2.402 31 W HA 0.228 4.892 4.660 0.008 0.000 0.286 31 W C 2.857 179.503 176.519 0.213 0.000 1.221 31 W CA 0.439 57.872 57.345 0.146 0.000 1.257 31 W CB -0.428 29.082 29.460 0.084 0.000 1.120 31 W HN 0.406 nan 8.180 nan 0.000 0.551 32 A N 0.154 123.210 122.820 0.392 0.000 1.873 32 A HA -0.234 4.091 4.320 0.008 0.000 0.218 32 A C 2.013 179.785 177.584 0.314 0.000 1.193 32 A CA 2.432 54.667 52.037 0.330 0.000 0.629 32 A CB -1.247 17.918 19.000 0.275 0.000 0.826 32 A HN 0.074 nan 8.150 nan 0.000 0.447 33 V N 0.834 120.933 119.914 0.308 0.000 2.255 33 V HA -0.306 3.819 4.120 0.008 0.000 0.247 33 V C 2.482 178.689 176.094 0.188 0.000 1.051 33 V CA 1.997 64.490 62.300 0.323 0.000 1.018 33 V CB -0.740 31.318 31.823 0.392 0.000 0.641 33 V HN 0.547 nan 8.190 nan 0.000 0.445 34 I N 0.106 120.719 120.570 0.071 0.000 2.087 34 I HA -0.318 3.856 4.170 0.008 0.000 0.240 34 I C 2.615 178.747 176.117 0.025 0.000 1.054 34 I CA 2.217 63.495 61.300 -0.036 0.000 1.311 34 I CB -1.275 36.788 38.000 0.105 0.000 1.024 34 I HN 0.314 nan 8.210 nan 0.000 0.402 35 S N 0.434 116.276 115.700 0.236 0.000 2.407 35 S HA -0.204 4.271 4.470 0.008 0.000 0.235 35 S C 2.067 176.776 174.600 0.183 0.000 1.036 35 S CA 1.584 59.951 58.200 0.278 0.000 1.013 35 S CB -0.288 63.186 63.200 0.457 0.000 0.820 35 S HN 0.613 nan 8.310 nan 0.000 0.476 36 A N 0.248 123.182 122.820 0.190 0.000 1.935 36 A HA 0.248 4.573 4.320 0.008 0.000 0.214 36 A C 0.794 178.436 177.584 0.096 0.000 1.178 36 A CA 0.083 52.242 52.037 0.203 0.000 0.640 36 A CB -0.417 18.771 19.000 0.312 0.000 0.825 36 A HN 0.411 nan 8.150 nan 0.000 0.447 37 F N -1.145 118.621 119.950 -0.307 0.000 2.586 37 F HA 0.292 4.824 4.527 0.008 0.000 0.344 37 F C 0.934 176.420 175.800 -0.522 0.000 1.188 37 F CA 0.995 58.459 58.000 -0.893 0.000 1.359 37 F CB -0.040 38.047 39.000 -1.522 0.000 1.129 37 F HN 0.427 nan 8.300 nan 0.000 0.609 38 F N -0.388 119.017 119.950 -0.908 0.000 2.532 38 F HA -0.436 4.095 4.527 0.008 0.000 0.710 38 F C 2.072 177.685 175.800 -0.311 0.000 0.487 38 F CA 1.400 59.072 58.000 -0.546 0.000 0.805 38 F CB -1.153 37.604 39.000 -0.405 0.000 1.658 38 F HN 0.429 nan 8.300 nan 0.000 0.269 39 R N 0.660 121.172 120.500 0.021 0.000 2.211 39 R HA -0.171 4.174 4.340 0.008 0.000 0.240 39 R C 1.617 177.900 176.300 -0.028 0.000 1.144 39 R CA 1.878 57.994 56.100 0.027 0.000 0.992 39 R CB -0.256 30.092 30.300 0.080 0.000 0.869 39 R HN 0.570 nan 8.270 nan 0.000 0.462 40 E N -0.010 120.114 120.200 -0.127 0.000 2.048 40 E HA -0.033 4.322 4.350 0.008 0.000 0.193 40 E C 1.667 178.148 176.600 -0.198 0.000 0.956 40 E CA 0.568 56.889 56.400 -0.130 0.000 0.846 40 E CB 0.204 29.840 29.700 -0.105 0.000 0.827 40 E HN 0.169 nan 8.360 nan 0.000 0.466 41 K N 0.220 120.369 120.400 -0.419 0.000 2.305 41 K HA 0.077 4.402 4.320 0.008 0.000 0.199 41 K C 1.181 177.649 176.600 -0.221 0.000 1.047 41 K CA 0.495 56.567 56.287 -0.359 0.000 0.976 41 K CB 0.539 32.678 32.500 -0.603 0.000 0.765 41 K HN 0.274 nan 8.250 nan 0.000 0.474 42 G N 1.584 110.286 108.800 -0.163 0.000 2.565 42 G HA2 -0.346 3.619 3.960 0.008 0.000 0.295 42 G HA3 -0.346 3.619 3.960 0.008 0.000 0.295 42 G C 0.470 175.417 174.900 0.078 0.000 1.165 42 G CA 0.286 45.383 45.100 -0.006 0.000 0.977 42 G HN 0.233 nan 8.290 nan 0.000 0.546 43 L N 0.139 121.380 121.223 0.030 0.000 3.406 43 L HA 0.228 4.573 4.340 0.008 0.000 0.309 43 L C 1.879 178.762 176.870 0.022 0.000 1.159 43 L CA 0.947 55.818 54.840 0.051 0.000 1.122 43 L CB 1.173 43.247 42.059 0.025 0.000 1.633 43 L HN 0.628 nan 8.230 nan 0.000 0.607 44 V N -4.138 115.777 119.914 0.001 0.000 3.477 44 V HA 0.126 4.250 4.120 0.008 0.000 0.297 44 V C 2.027 178.115 176.094 -0.010 0.000 1.433 44 V CA 0.572 62.869 62.300 -0.006 0.000 1.052 44 V CB 0.128 31.945 31.823 -0.010 0.000 0.895 44 V HN 0.376 nan 8.190 nan 0.000 0.438 45 S N 3.352 119.039 115.700 -0.021 0.000 2.265 45 S HA -0.529 3.945 4.470 0.008 0.000 0.368 45 S C 2.022 176.628 174.600 0.010 0.000 1.046 45 S CA 3.637 61.823 58.200 -0.024 0.000 2.010 45 S CB -1.204 61.957 63.200 -0.064 0.000 1.582 45 S HN 0.898 nan 8.310 nan 0.000 0.486 46 Q N 0.557 120.366 119.800 0.015 0.000 2.190 46 Q HA -0.373 3.972 4.340 0.008 0.000 0.220 46 Q C 2.211 178.241 176.000 0.050 0.000 1.080 46 Q CA 2.384 58.208 55.803 0.036 0.000 0.946 46 Q CB -1.246 27.501 28.738 0.016 0.000 1.070 46 Q HN 0.744 nan 8.270 nan 0.000 0.468 47 Q N 0.392 120.213 119.800 0.034 0.000 2.118 47 Q HA -0.170 4.175 4.340 0.008 0.000 0.211 47 Q C 2.357 178.405 176.000 0.079 0.000 0.998 47 Q CA 2.053 57.884 55.803 0.047 0.000 0.872 47 Q CB -0.314 28.426 28.738 0.004 0.000 0.925 47 Q HN 0.573 nan 8.270 nan 0.000 0.414 48 L N 0.402 121.655 121.223 0.050 0.000 2.068 48 L HA -0.135 4.209 4.340 0.008 0.000 0.204 48 L C 2.088 179.024 176.870 0.110 0.000 1.076 48 L CA 0.819 55.707 54.840 0.081 0.000 0.753 48 L CB -0.539 41.537 42.059 0.027 0.000 0.910 48 L HN 0.092 nan 8.230 nan 0.000 0.439 49 D N -0.323 120.123 120.400 0.078 0.000 2.172 49 D HA -0.226 4.418 4.640 0.008 0.000 0.196 49 D C 2.290 178.642 176.300 0.088 0.000 0.999 49 D CA 1.879 55.926 54.000 0.077 0.000 0.856 49 D CB 0.115 40.965 40.800 0.085 0.000 0.934 49 D HN 0.213 nan 8.370 nan 0.000 0.453 50 S N -0.666 115.103 115.700 0.116 0.000 2.356 50 S HA -0.104 4.371 4.470 0.008 0.000 0.219 50 S C 1.753 176.471 174.600 0.198 0.000 1.036 50 S CA 0.113 58.394 58.200 0.135 0.000 0.965 50 S CB -0.383 62.897 63.200 0.133 0.000 0.864 50 S HN 0.180 nan 8.310 nan 0.000 0.471 51 F N 3.172 123.184 119.950 0.104 0.000 2.250 51 F HA -0.050 4.482 4.527 0.008 0.000 0.301 51 F C 1.881 177.792 175.800 0.185 0.000 1.077 51 F CA 1.363 59.462 58.000 0.165 0.000 1.348 51 F CB -0.334 38.737 39.000 0.118 0.000 1.040 51 F HN 0.269 nan 8.300 nan 0.000 0.509 52 N N 0.169 118.950 118.700 0.135 0.000 2.148 52 N HA -0.176 4.569 4.740 0.008 0.000 0.186 52 N C 1.800 177.297 175.510 -0.021 0.000 1.031 52 N CA 1.229 54.304 53.050 0.041 0.000 0.848 52 N CB -0.882 37.654 38.487 0.082 0.000 1.005 52 N HN 0.302 nan 8.380 nan 0.000 0.427 53 Q N 0.362 120.154 119.800 -0.013 0.000 2.368 53 Q HA -0.083 4.262 4.340 0.008 0.000 0.210 53 Q C 1.574 177.569 176.000 -0.009 0.000 0.982 53 Q CA 0.876 56.637 55.803 -0.071 0.000 0.884 53 Q CB -0.379 28.305 28.738 -0.090 0.000 0.933 53 Q HN 0.341 nan 8.270 nan 0.000 0.460 54 F N -1.022 118.829 119.950 -0.165 0.000 2.025 54 F HA -0.109 4.423 4.527 0.008 0.000 0.291 54 F C 1.886 177.537 175.800 -0.248 0.000 1.150 54 F CA 1.428 59.299 58.000 -0.215 0.000 1.166 54 F CB -0.937 37.883 39.000 -0.299 0.000 0.995 54 F HN -0.073 nan 8.300 nan 0.000 0.474 55 V N 1.304 120.884 119.914 -0.556 0.000 2.222 55 V HA -0.409 3.715 4.120 0.008 0.000 0.252 55 V C 2.259 178.138 176.094 -0.357 0.000 1.060 55 V CA 2.572 64.527 62.300 -0.575 0.000 1.027 55 V CB -0.812 30.791 31.823 -0.367 0.000 0.644 55 V HN 0.380 nan 8.190 nan 0.000 0.448 56 D N -2.141 118.187 120.400 -0.120 0.000 2.158 56 D HA -0.154 4.490 4.640 0.008 0.000 0.197 56 D C 1.484 177.820 176.300 0.059 0.000 0.995 56 D CA 1.859 55.891 54.000 0.053 0.000 0.846 56 D CB -0.078 40.892 40.800 0.283 0.000 0.941 56 D HN 0.616 nan 8.370 nan 0.000 0.456 57 Y N -0.748 119.414 120.300 -0.230 0.000 3.057 57 Y HA 0.113 4.668 4.550 0.008 0.000 0.148 57 Y C 2.410 178.145 175.900 -0.275 0.000 0.877 57 Y CA 0.175 58.156 58.100 -0.198 0.000 1.833 57 Y CB -0.856 37.532 38.460 -0.120 0.000 1.278 57 Y HN -0.246 nan 8.280 nan 0.000 0.357 58 T N 2.423 116.966 114.554 -0.019 0.000 2.575 58 T HA -0.382 3.972 4.350 0.008 0.000 0.228 58 T C 1.785 176.291 174.700 -0.324 0.000 1.332 58 T CA 2.617 64.646 62.100 -0.119 0.000 1.074 58 T CB -1.267 67.601 68.868 0.000 0.000 0.806 58 T HN 0.325 nan 8.240 nan 0.000 0.475 59 L N 1.403 122.156 121.223 -0.783 0.000 2.021 59 L HA -0.207 4.138 4.340 0.008 0.000 0.215 59 L C 2.612 179.164 176.870 -0.530 0.000 1.074 59 L CA 2.575 56.849 54.840 -0.943 0.000 0.760 59 L CB -0.989 40.325 42.059 -1.242 0.000 0.889 59 L HN 0.348 nan 8.230 nan 0.000 0.433 60 Q N -0.334 119.227 119.800 -0.399 0.000 2.030 60 Q HA -0.245 4.099 4.340 0.008 0.000 0.204 60 Q C 1.828 177.716 176.000 -0.186 0.000 0.986 60 Q CA 2.489 58.128 55.803 -0.273 0.000 0.843 60 Q CB -0.404 28.188 28.738 -0.244 0.000 0.904 60 Q HN 0.648 nan 8.270 nan 0.000 0.420 61 D N -0.379 119.937 120.400 -0.140 0.000 2.097 61 D HA -0.134 4.510 4.640 0.008 0.000 0.195 61 D C 1.653 177.930 176.300 -0.039 0.000 0.989 61 D CA 1.184 55.147 54.000 -0.062 0.000 0.827 61 D CB -0.163 40.623 40.800 -0.023 0.000 0.966 61 D HN 0.273 nan 8.370 nan 0.000 0.456 62 I N 0.445 120.980 120.570 -0.059 0.000 2.335 62 I HA -0.184 3.991 4.170 0.008 0.000 0.251 62 I C 2.142 178.185 176.117 -0.123 0.000 1.129 62 I CA 0.678 61.976 61.300 -0.002 0.000 1.402 62 I CB -0.726 37.328 38.000 0.091 0.000 1.069 62 I HN 0.046 nan 8.210 nan 0.000 0.424 63 I N 0.780 121.180 120.570 -0.284 0.000 2.756 63 I HA -0.188 3.987 4.170 0.008 0.000 0.262 63 I C 0.994 177.137 176.117 0.044 0.000 1.225 63 I CA 0.744 61.775 61.300 -0.447 0.000 1.472 63 I CB -0.128 37.664 38.000 -0.348 0.000 1.094 63 I HN 0.451 nan 8.210 nan 0.000 0.454 64 C N -0.385 118.965 119.300 0.083 0.000 3.123 64 C HA 0.680 5.145 4.460 0.008 0.000 0.284 64 C C 0.531 175.594 174.990 0.120 0.000 1.076 64 C CA -0.429 58.681 59.018 0.153 0.000 1.416 64 C CB 0.202 28.003 27.740 0.102 0.000 1.841 64 C HN 0.504 nan 8.230 nan 0.000 0.501 65 E N 2.151 122.445 120.200 0.156 0.000 3.151 65 E HA -0.027 4.327 4.350 0.008 0.000 0.246 65 E C 0.675 177.343 176.600 0.112 0.000 1.150 65 E CA 1.097 57.562 56.400 0.108 0.000 1.806 65 E CB -0.790 28.962 29.700 0.086 0.000 2.295 65 E HN 0.580 nan 8.360 nan 0.000 1.000 66 D N 1.853 122.339 120.400 0.144 0.000 2.369 66 D HA 0.050 4.695 4.640 0.008 0.000 0.211 66 D C 1.524 177.934 176.300 0.184 0.000 1.077 66 D CA 1.134 55.216 54.000 0.137 0.000 0.842 66 D CB 0.461 41.331 40.800 0.117 0.000 0.947 66 D HN 0.133 nan 8.370 nan 0.000 0.509 67 S N -0.019 115.839 115.700 0.263 0.000 2.615 67 S HA -0.303 4.172 4.470 0.008 0.000 0.330 67 S C 1.080 175.886 174.600 0.343 0.000 1.300 67 S CA 2.334 60.775 58.200 0.403 0.000 1.166 67 S CB -1.558 61.859 63.200 0.361 0.000 1.246 67 S HN 0.515 nan 8.310 nan 0.000 0.442 68 T N 0.951 115.599 114.554 0.157 0.000 2.918 68 T HA 0.659 5.014 4.350 0.008 0.000 0.283 68 T C -0.176 174.519 174.700 -0.009 0.000 1.001 68 T CA -0.541 61.569 62.100 0.017 0.000 1.041 68 T CB 0.561 69.425 68.868 -0.007 0.000 1.028 68 T HN 0.397 nan 8.240 nan 0.000 0.511 69 L N 2.307 123.459 121.223 -0.119 0.000 2.225 69 L HA 0.667 5.011 4.340 0.008 0.000 0.257 69 L C -0.439 176.300 176.870 -0.218 0.000 1.101 69 L CA -1.385 53.331 54.840 -0.205 0.000 1.073 69 L CB 1.239 43.084 42.059 -0.357 0.000 1.627 69 L HN 0.462 nan 8.230 nan 0.000 0.518 91 S N 4.178 119.597 115.700 -0.468 0.000 2.519 91 S HA 0.820 5.294 4.470 0.008 0.000 0.309 91 S C -0.830 173.539 174.600 -0.385 0.000 1.100 91 S CA -0.628 57.317 58.200 -0.425 0.000 1.059 91 S CB 1.606 64.703 63.200 -0.171 0.000 1.008 91 S HN 0.245 nan 8.310 nan 0.000 0.478 92 F N 2.125 122.106 119.950 0.050 0.000 2.410 92 F HA 0.668 5.200 4.527 0.008 0.000 0.348 92 F C 1.308 177.124 175.800 0.026 0.000 1.106 92 F CA -0.286 57.750 58.000 0.060 0.000 1.163 92 F CB 1.058 40.138 39.000 0.133 0.000 1.129 92 F HN 0.892 nan 8.300 nan 0.000 0.516 93 G N 2.177 111.071 108.800 0.158 0.000 3.374 93 G HA2 0.182 4.147 3.960 0.008 0.000 0.200 93 G HA3 0.182 4.147 3.960 0.008 0.000 0.200 93 G C -0.191 174.696 174.900 -0.022 0.000 1.801 93 G CA -0.487 44.642 45.100 0.049 0.000 0.842 93 G HN 0.345 nan 8.290 nan 0.000 0.688 94 K N 0.132 120.470 120.400 -0.103 0.000 2.336 94 K HA 0.277 4.602 4.320 0.008 0.000 0.262 94 K C -1.138 175.241 176.600 -0.368 0.000 0.992 94 K CA -0.034 56.088 56.287 -0.275 0.000 0.927 94 K CB 1.031 33.305 32.500 -0.376 0.000 0.956 94 K HN 0.294 nan 8.250 nan 0.000 0.495 95 I N 3.047 123.333 120.570 -0.473 0.000 2.500 95 I HA 0.207 4.381 4.170 0.008 0.000 0.286 95 I C -1.510 174.391 176.117 -0.360 0.000 1.063 95 I CA -0.689 60.406 61.300 -0.342 0.000 1.062 95 I CB 0.829 38.705 38.000 -0.206 0.000 1.223 95 I HN 0.455 nan 8.210 nan 0.000 0.435 96 Y N 5.940 126.291 120.300 0.085 0.000 2.323 96 Y HA 0.602 5.157 4.550 0.008 0.000 0.331 96 Y C -0.133 175.842 175.900 0.125 0.000 1.092 96 Y CA -0.948 57.196 58.100 0.072 0.000 1.150 96 Y CB 1.595 40.089 38.460 0.056 0.000 1.200 96 Y HN 0.169 nan 8.280 nan 0.000 0.472 97 V N 2.562 122.604 119.914 0.213 0.000 2.459 97 V HA 0.373 4.498 4.120 0.008 0.000 0.295 97 V C -0.023 176.145 176.094 0.124 0.000 1.029 97 V CA -1.094 61.303 62.300 0.162 0.000 0.874 97 V CB 1.337 33.201 31.823 0.069 0.000 0.985 97 V HN 0.878 nan 8.190 nan 0.000 0.438 98 T N 2.635 117.269 114.554 0.134 0.000 2.828 98 T HA 0.299 4.653 4.350 0.008 0.000 0.290 98 T C 0.011 174.697 174.700 -0.023 0.000 1.019 98 T CA -0.841 61.284 62.100 0.042 0.000 1.031 98 T CB 0.649 69.551 68.868 0.056 0.000 1.001 98 T HN 0.475 nan 8.240 nan 0.000 0.531 99 K N 2.516 122.879 120.400 -0.061 0.000 2.316 99 K HA 0.209 4.534 4.320 0.008 0.000 0.289 99 K C -2.359 174.121 176.600 -0.200 0.000 1.070 99 K CA -1.750 54.428 56.287 -0.182 0.000 0.928 99 K CB 0.388 32.855 32.500 -0.054 0.000 1.039 99 K HN 0.396 nan 8.250 nan 0.000 0.480 100 P HA -0.200 nan 4.420 nan 0.000 0.271 100 P C -0.555 176.646 177.300 -0.165 0.000 1.145 100 P CA 1.212 64.087 63.100 -0.375 0.000 0.751 100 P CB 0.316 31.492 31.700 -0.874 0.000 0.742 101 M N 0.448 119.980 119.600 -0.113 0.000 2.843 101 M HA 0.627 5.112 4.480 0.008 0.000 0.273 101 M C -1.039 175.251 176.300 -0.015 0.000 1.286 101 M CA -1.001 54.280 55.300 -0.032 0.000 0.807 101 M CB 1.930 34.526 32.600 -0.006 0.000 1.684 101 M HN -0.135 nan 8.290 nan 0.000 0.458 102 V N 0.835 120.767 119.914 0.029 0.000 2.851 102 V HA 0.440 4.564 4.120 0.008 0.000 0.307 102 V C -1.369 174.757 176.094 0.053 0.000 1.129 102 V CA -0.686 61.636 62.300 0.037 0.000 0.932 102 V CB 2.294 34.136 31.823 0.032 0.000 1.024 102 V HN 0.843 nan 8.190 nan 0.000 0.426 103 N N 3.371 122.095 118.700 0.039 0.000 2.955 103 N HA 0.212 4.957 4.740 0.008 0.000 0.242 103 N C -0.045 175.490 175.510 0.041 0.000 1.123 103 N CA -0.423 52.649 53.050 0.037 0.000 0.949 103 N CB 0.619 39.119 38.487 0.023 0.000 1.214 103 N HN 0.775 nan 8.380 nan 0.000 0.504 104 E N 0.492 120.725 120.200 0.055 0.000 2.383 104 E HA 0.000 4.355 4.350 0.008 0.000 0.257 104 E C 0.017 176.640 176.600 0.040 0.000 1.079 104 E CA -0.152 56.277 56.400 0.049 0.000 0.934 104 E CB -0.076 29.668 29.700 0.073 0.000 0.978 104 E HN 0.464 nan 8.360 nan 0.000 0.462 105 S N 3.936 119.654 115.700 0.030 0.000 2.702 105 S HA -0.133 4.342 4.470 0.008 0.000 0.314 105 S C 0.462 175.080 174.600 0.030 0.000 1.244 105 S CA -0.051 58.166 58.200 0.028 0.000 1.058 105 S CB 0.329 63.541 63.200 0.020 0.000 0.783 105 S HN 0.667 nan 8.310 nan 0.000 0.503 106 D N 1.676 122.093 120.400 0.029 0.000 2.760 106 D HA -0.072 4.572 4.640 0.008 0.000 0.244 106 D C 0.153 176.470 176.300 0.027 0.000 1.123 106 D CA 1.841 55.858 54.000 0.028 0.000 0.719 106 D CB -1.313 39.504 40.800 0.028 0.000 1.045 106 D HN 1.238 nan 8.370 nan 0.000 0.426 107 G N -2.049 106.766 108.800 0.025 0.000 2.428 107 G HA2 0.498 4.463 3.960 0.008 0.000 0.304 107 G HA3 0.498 4.463 3.960 0.008 0.000 0.304 107 G C -0.062 174.846 174.900 0.014 0.000 1.303 107 G CA -0.122 44.992 45.100 0.022 0.000 0.825 107 G HN 0.373 nan 8.290 nan 0.000 0.484 108 V N -0.759 119.156 119.914 0.002 0.000 3.697 108 V HA 0.551 4.675 4.120 0.008 0.000 0.285 108 V C 1.064 177.155 176.094 -0.005 0.000 1.041 108 V CA -0.125 62.162 62.300 -0.020 0.000 1.045 108 V CB 1.102 32.884 31.823 -0.068 0.000 1.227 108 V HN 0.745 nan 8.190 nan 0.000 0.448 109 T N -0.431 114.110 114.554 -0.022 0.000 2.795 109 T HA 0.403 4.758 4.350 0.008 0.000 0.282 109 T C -0.610 174.090 174.700 0.001 0.000 0.980 109 T CA -0.055 62.044 62.100 -0.001 0.000 1.012 109 T CB -0.065 68.789 68.868 -0.023 0.000 0.936 109 T HN 0.791 nan 8.240 nan 0.000 0.457 110 H N 1.533 120.596 119.070 -0.012 0.000 2.525 110 H HA 0.659 5.220 4.556 0.008 0.000 0.340 110 H C -0.195 175.122 175.328 -0.019 0.000 1.168 110 H CA -0.865 55.180 56.048 -0.005 0.000 1.247 110 H CB 1.151 30.919 29.762 0.010 0.000 1.568 110 H HN 0.686 nan 8.280 nan 0.000 0.536 111 A N 4.141 127.145 122.820 0.308 0.000 2.582 111 A HA 0.272 4.596 4.320 0.008 0.000 0.336 111 A C -0.939 176.632 177.584 -0.021 0.000 1.445 111 A CA -0.466 51.625 52.037 0.091 0.000 0.997 111 A CB -0.605 18.395 19.000 0.000 0.000 1.148 111 A HN 0.552 nan 8.150 nan 0.000 0.514 112 L N 2.927 124.114 121.223 -0.059 0.000 2.281 112 L HA 0.578 4.922 4.340 0.008 0.000 0.285 112 L C -1.036 175.812 176.870 -0.037 0.000 1.074 112 L CA -0.005 54.793 54.840 -0.070 0.000 0.817 112 L CB 0.100 42.127 42.059 -0.052 0.000 1.168 112 L HN 0.577 nan 8.230 nan 0.000 0.434 113 Y N 6.420 126.825 120.300 0.175 0.000 2.376 113 Y HA 0.415 4.970 4.550 0.008 0.000 0.325 113 Y C -1.325 174.754 175.900 0.298 0.000 1.199 113 Y CA -1.579 56.690 58.100 0.281 0.000 1.206 113 Y CB 0.658 39.178 38.460 0.099 0.000 1.229 113 Y HN 0.567 nan 8.280 nan 0.000 0.480 114 P HA -0.293 nan 4.420 nan 0.000 0.218 114 P C 1.260 178.646 177.300 0.145 0.000 1.154 114 P CA 1.623 64.794 63.100 0.118 0.000 0.872 114 P CB 0.438 32.109 31.700 -0.048 0.000 0.790 115 Q N 0.504 120.396 119.800 0.154 0.000 2.014 115 Q HA -0.221 4.123 4.340 0.008 0.000 0.207 115 Q C 2.333 178.398 176.000 0.108 0.000 0.993 115 Q CA 2.205 58.071 55.803 0.105 0.000 0.850 115 Q CB -1.212 27.568 28.738 0.069 0.000 0.916 115 Q HN 0.360 nan 8.270 nan 0.000 0.417 116 E N -1.007 119.265 120.200 0.119 0.000 2.070 116 E HA -0.260 4.094 4.350 0.008 0.000 0.197 116 E C 1.750 178.406 176.600 0.094 0.000 1.004 116 E CA 1.337 57.788 56.400 0.085 0.000 0.805 116 E CB -0.301 29.422 29.700 0.039 0.000 0.744 116 E HN 0.405 nan 8.360 nan 0.000 0.451 117 A N 1.203 124.100 122.820 0.128 0.000 1.892 117 A HA -0.227 4.097 4.320 0.008 0.000 0.218 117 A C 2.202 179.856 177.584 0.116 0.000 1.188 117 A CA 1.812 53.928 52.037 0.131 0.000 0.631 117 A CB -0.618 18.509 19.000 0.212 0.000 0.822 117 A HN 0.229 nan 8.150 nan 0.000 0.447 118 R N -1.179 119.394 120.500 0.122 0.000 2.152 118 R HA -0.057 4.288 4.340 0.008 0.000 0.232 118 R C 1.887 178.262 176.300 0.125 0.000 1.117 118 R CA 1.282 57.453 56.100 0.118 0.000 0.981 118 R CB -0.362 30.006 30.300 0.113 0.000 0.870 118 R HN 0.515 nan 8.270 nan 0.000 0.451 119 L N 0.197 121.496 121.223 0.125 0.000 2.130 119 L HA -0.049 4.296 4.340 0.008 0.000 0.200 119 L C 1.589 178.615 176.870 0.261 0.000 1.075 119 L CA 1.097 56.033 54.840 0.159 0.000 0.768 119 L CB -0.033 42.099 42.059 0.122 0.000 0.933 119 L HN 0.066 nan 8.230 nan 0.000 0.451 120 R N 0.176 120.782 120.500 0.176 0.000 2.978 120 R HA 0.208 4.553 4.340 0.008 0.000 0.298 120 R C -0.333 175.842 176.300 -0.207 0.000 1.296 120 R CA -0.090 56.059 56.100 0.082 0.000 1.181 120 R CB -1.127 29.198 30.300 0.043 0.000 1.348 120 R HN 0.301 nan 8.270 nan 0.000 0.585 121 N N 0.951 119.621 118.700 -0.049 0.000 2.708 121 N HA -0.205 4.539 4.740 0.008 0.000 0.251 121 N C -0.240 175.223 175.510 -0.078 0.000 1.017 121 N CA 0.086 53.094 53.050 -0.071 0.000 0.742 121 N CB -0.605 37.785 38.487 -0.162 0.000 0.943 121 N HN 0.412 nan 8.380 nan 0.000 0.539 122 L N -0.687 120.524 121.223 -0.021 0.000 2.946 122 L HA 0.396 4.740 4.340 0.008 0.000 0.189 122 L C 0.938 177.844 176.870 0.059 0.000 1.249 122 L CA -0.100 54.742 54.840 0.004 0.000 1.098 122 L CB 0.493 42.563 42.059 0.019 0.000 2.064 122 L HN -0.014 nan 8.230 nan 0.000 0.522 123 T N -0.705 113.898 114.554 0.082 0.000 3.066 123 T HA 0.170 4.525 4.350 0.008 0.000 0.318 123 T C -0.979 173.816 174.700 0.158 0.000 0.979 123 T CA -0.339 61.838 62.100 0.127 0.000 1.025 123 T CB 0.215 69.144 68.868 0.102 0.000 1.002 123 T HN 0.241 nan 8.240 nan 0.000 0.453 124 Y N 4.581 124.925 120.300 0.074 0.000 2.683 124 Y HA 0.326 4.881 4.550 0.008 0.000 0.355 124 Y C 0.523 176.468 175.900 0.075 0.000 1.199 124 Y CA 0.163 58.295 58.100 0.055 0.000 1.654 124 Y CB -0.173 38.305 38.460 0.031 0.000 1.361 124 Y HN 0.543 nan 8.280 nan 0.000 0.493 125 S N 3.194 118.854 115.700 -0.067 0.000 2.571 125 S HA 0.599 5.074 4.470 0.008 0.000 0.284 125 S C -0.489 174.082 174.600 -0.049 0.000 1.128 125 S CA -0.918 57.292 58.200 0.017 0.000 0.970 125 S CB 1.346 64.610 63.200 0.107 0.000 1.039 125 S HN 0.435 nan 8.310 nan 0.000 0.485 126 S N 1.798 117.500 115.700 0.005 0.000 2.606 126 S HA 0.632 5.107 4.470 0.008 0.000 0.257 126 S C 0.676 175.363 174.600 0.145 0.000 1.327 126 S CA -0.101 58.120 58.200 0.035 0.000 0.984 126 S CB 0.341 63.582 63.200 0.067 0.000 0.941 126 S HN 1.117 nan 8.310 nan 0.000 0.576 127 G N 0.761 109.689 108.800 0.213 0.000 2.416 127 G HA2 0.567 4.532 3.960 0.008 0.000 0.324 127 G HA3 0.567 4.532 3.960 0.008 0.000 0.324 127 G C -1.006 174.165 174.900 0.451 0.000 1.194 127 G CA -0.573 44.746 45.100 0.365 0.000 0.922 127 G HN 0.408 nan 8.290 nan 0.000 0.467 128 L N 1.533 122.957 121.223 0.335 0.000 2.312 128 L HA 0.595 4.939 4.340 0.008 0.000 0.281 128 L C -0.730 176.212 176.870 0.120 0.000 1.070 128 L CA -0.454 54.537 54.840 0.252 0.000 0.805 128 L CB 0.735 42.876 42.059 0.137 0.000 1.174 128 L HN 0.362 nan 8.230 nan 0.000 0.434 129 F N 1.408 121.491 119.950 0.220 0.000 2.569 129 F HA 0.624 5.156 4.527 0.008 0.000 0.312 129 F C -0.066 175.841 175.800 0.179 0.000 1.109 129 F CA -0.785 57.367 58.000 0.252 0.000 0.919 129 F CB 2.226 41.403 39.000 0.295 0.000 1.211 129 F HN 0.060 nan 8.300 nan 0.000 0.446 130 V N 0.796 120.893 119.914 0.306 0.000 2.823 130 V HA 0.433 4.557 4.120 0.008 0.000 0.312 130 V C -1.102 175.130 176.094 0.231 0.000 1.072 130 V CA -1.028 61.382 62.300 0.184 0.000 0.937 130 V CB 2.177 34.099 31.823 0.165 0.000 1.013 130 V HN 0.482 nan 8.190 nan 0.000 0.430 131 D N 2.378 122.869 120.400 0.152 0.000 2.393 131 D HA 0.377 5.022 4.640 0.008 0.000 0.232 131 D C -0.321 176.071 176.300 0.154 0.000 1.192 131 D CA 0.226 54.322 54.000 0.160 0.000 0.882 131 D CB 1.253 42.120 40.800 0.110 0.000 1.038 131 D HN 0.293 nan 8.370 nan 0.000 0.499 132 V N 3.867 123.875 119.914 0.157 0.000 2.406 132 V HA 0.226 4.351 4.120 0.008 0.000 0.272 132 V C 0.633 176.722 176.094 -0.009 0.000 1.043 132 V CA -0.518 61.829 62.300 0.079 0.000 0.915 132 V CB 1.076 32.977 31.823 0.130 0.000 0.988 132 V HN 0.287 nan 8.190 nan 0.000 0.466 133 K N 4.030 124.375 120.400 -0.091 0.000 2.168 133 K HA 0.585 4.910 4.320 0.008 0.000 0.239 133 K C -0.128 176.408 176.600 -0.106 0.000 0.999 133 K CA -0.982 55.260 56.287 -0.075 0.000 0.900 133 K CB 1.318 33.776 32.500 -0.070 0.000 1.111 133 K HN 0.530 nan 8.250 nan 0.000 0.452 165 V N 2.980 123.126 119.914 0.386 0.000 2.531 165 V HA 0.443 4.567 4.120 0.008 0.000 0.301 165 V C -0.920 175.274 176.094 0.168 0.000 1.034 165 V CA -0.811 61.656 62.300 0.279 0.000 0.865 165 V CB 1.284 33.222 31.823 0.190 0.000 0.995 165 V HN 0.240 nan 8.190 nan 0.000 0.424 166 F N 7.041 126.870 119.950 -0.203 0.000 2.391 166 F HA 0.718 5.250 4.527 0.008 0.000 0.359 166 F C -0.585 174.998 175.800 -0.361 0.000 1.122 166 F CA -1.150 56.433 58.000 -0.695 0.000 1.120 166 F CB 0.654 39.190 39.000 -0.773 0.000 1.142 166 F HN 0.279 nan 8.300 nan 0.000 0.483 167 I N 6.331 126.440 120.570 -0.768 0.000 2.447 167 I HA 0.559 4.733 4.170 0.008 0.000 0.287 167 I C 0.542 176.283 176.117 -0.626 0.000 1.023 167 I CA -0.509 60.370 61.300 -0.701 0.000 1.083 167 I CB 0.517 38.343 38.000 -0.290 0.000 1.245 167 I HN 0.863 nan 8.210 nan 0.000 0.434 168 G N 6.757 115.128 108.800 -0.715 0.000 2.877 168 G HA2 -0.219 3.745 3.960 0.008 0.000 0.279 168 G HA3 -0.219 3.745 3.960 0.008 0.000 0.279 168 G C -0.401 174.540 174.900 0.069 0.000 1.431 168 G CA -0.749 44.212 45.100 -0.231 0.000 0.883 168 G HN 0.722 nan 8.290 nan 0.000 0.547 169 R N -0.578 120.004 120.500 0.137 0.000 2.507 169 R HA 0.406 4.751 4.340 0.008 0.000 0.298 169 R C -0.518 175.897 176.300 0.191 0.000 1.087 169 R CA -0.851 55.369 56.100 0.201 0.000 0.917 169 R CB 1.655 32.070 30.300 0.192 0.000 1.173 169 R HN 0.704 nan 8.270 nan 0.000 0.472 170 L N 4.121 125.479 121.223 0.225 0.000 2.261 170 L HA 0.457 4.801 4.340 0.008 0.000 0.289 170 L C -2.468 174.577 176.870 0.291 0.000 1.059 170 L CA -1.526 53.475 54.840 0.269 0.000 0.816 170 L CB 0.750 42.993 42.059 0.308 0.000 1.191 170 L HN 0.295 nan 8.230 nan 0.000 0.431 171 P HA -0.024 nan 4.420 nan 0.000 0.266 171 P C -0.921 176.682 177.300 0.504 0.000 1.186 171 P CA 0.292 63.603 63.100 0.351 0.000 0.767 171 P CB 0.316 32.201 31.700 0.307 0.000 0.820 172 I N 3.259 124.087 120.570 0.430 0.000 2.378 172 I HA 0.282 4.457 4.170 0.008 0.000 0.291 172 I C 0.559 176.480 176.117 -0.327 0.000 0.992 172 I CA -1.086 60.355 61.300 0.235 0.000 1.154 172 I CB 0.948 39.102 38.000 0.257 0.000 1.315 172 I HN 0.460 nan 8.210 nan 0.000 0.448 173 M N 6.551 125.335 119.600 -1.360 0.000 2.390 173 M HA 0.031 4.515 4.480 0.008 0.000 0.353 173 M C -0.616 175.083 176.300 -1.002 0.000 1.623 173 M CA -0.278 53.886 55.300 -1.894 0.000 1.065 173 M CB 0.229 31.602 32.600 -2.045 0.000 2.025 173 M HN 0.362 nan 8.290 nan 0.000 0.461 174 L N 6.562 127.192 121.223 -0.989 0.000 2.525 174 L HA 0.012 4.356 4.340 0.008 0.000 0.278 174 L C 1.217 177.736 176.870 -0.584 0.000 1.218 174 L CA 1.405 55.744 54.840 -0.836 0.000 0.878 174 L CB -0.074 41.263 42.059 -1.204 0.000 1.127 174 L HN 0.980 nan 8.230 nan 0.000 0.492 175 R N 1.307 121.579 120.500 -0.380 0.000 3.878 175 R HA -0.235 4.109 4.340 0.008 0.000 0.330 175 R C 0.756 176.965 176.300 -0.152 0.000 1.186 175 R CA 0.873 56.843 56.100 -0.217 0.000 0.885 175 R CB -1.459 28.719 30.300 -0.202 0.000 1.377 175 R HN 0.958 nan 8.270 nan 0.000 0.523 176 S N -0.358 115.245 115.700 -0.161 0.000 2.154 176 S HA 0.038 4.513 4.470 0.008 0.000 0.154 176 S C 1.247 175.874 174.600 0.046 0.000 1.392 176 S CA 0.828 59.012 58.200 -0.027 0.000 2.418 176 S CB -0.009 63.223 63.200 0.054 0.000 0.325 176 S HN 0.479 nan 8.310 nan 0.000 0.348 177 K N -0.166 120.299 120.400 0.108 0.000 2.403 177 K HA 0.329 4.654 4.320 0.008 0.000 0.199 177 K C 2.004 178.636 176.600 0.053 0.000 1.199 177 K CA 0.238 56.571 56.287 0.076 0.000 0.924 177 K CB -0.037 32.514 32.500 0.086 0.000 1.137 177 K HN 0.359 nan 8.250 nan 0.000 0.510 178 N N 0.210 118.959 118.700 0.081 0.000 2.459 178 N HA -0.054 4.691 4.740 0.008 0.000 0.181 178 N C 0.143 175.589 175.510 -0.107 0.000 1.046 178 N CA 0.316 53.372 53.050 0.011 0.000 0.904 178 N CB 0.286 38.816 38.487 0.071 0.000 0.964 178 N HN 0.128 nan 8.380 nan 0.000 0.444 179 C N 0.065 119.338 119.300 -0.044 0.000 2.536 179 C HA 0.141 4.606 4.460 0.008 0.000 0.396 179 C C 1.642 176.603 174.990 -0.049 0.000 1.279 179 C CA -0.765 58.218 59.018 -0.058 0.000 2.148 179 C CB -0.703 27.043 27.740 0.009 0.000 2.584 179 C HN 0.500 nan 8.230 nan 0.000 0.579 180 Y N 2.737 123.129 120.300 0.152 0.000 2.165 180 Y HA -0.136 4.418 4.550 0.008 0.000 0.286 180 Y C 2.168 178.137 175.900 0.115 0.000 1.155 180 Y CA 1.674 59.859 58.100 0.141 0.000 1.164 180 Y CB -0.294 38.307 38.460 0.235 0.000 0.978 180 Y HN 0.630 nan 8.280 nan 0.000 0.513 181 L N -0.098 121.264 121.223 0.232 0.000 2.261 181 L HA -0.203 4.142 4.340 0.008 0.000 0.216 181 L C 2.318 179.221 176.870 0.055 0.000 1.114 181 L CA 1.330 56.236 54.840 0.109 0.000 0.777 181 L CB -0.969 41.105 42.059 0.024 0.000 0.910 181 L HN 0.272 nan 8.230 nan 0.000 0.440 182 S N -0.660 115.068 115.700 0.046 0.000 2.584 182 S HA -0.129 4.346 4.470 0.008 0.000 0.240 182 S C 1.217 175.838 174.600 0.035 0.000 0.975 182 S CA 1.118 59.330 58.200 0.020 0.000 0.949 182 S CB -0.150 63.057 63.200 0.013 0.000 0.761 182 S HN 0.545 nan 8.310 nan 0.000 0.536 183 E N 0.097 120.332 120.200 0.057 0.000 2.639 183 E HA 0.479 4.833 4.350 0.008 0.000 0.225 183 E C 0.427 177.052 176.600 0.041 0.000 0.921 183 E CA 0.291 56.722 56.400 0.052 0.000 1.184 183 E CB 0.916 30.660 29.700 0.072 0.000 1.160 183 E HN 0.560 nan 8.360 nan 0.000 0.547 184 A N 1.425 124.269 122.820 0.041 0.000 2.407 184 A HA 0.410 4.735 4.320 0.008 0.000 0.248 184 A C 0.750 178.330 177.584 -0.006 0.000 1.082 184 A CA -0.038 52.012 52.037 0.023 0.000 0.785 184 A CB 0.026 19.040 19.000 0.024 0.000 1.020 184 A HN 0.160 nan 8.150 nan 0.000 0.489 185 T N -0.718 113.830 114.554 -0.009 0.000 2.824 185 T HA 0.306 4.660 4.350 0.008 0.000 0.277 185 T C 0.944 175.624 174.700 -0.034 0.000 0.975 185 T CA 0.359 62.449 62.100 -0.018 0.000 0.966 185 T CB 0.924 69.788 68.868 -0.006 0.000 1.054 185 T HN 0.731 nan 8.240 nan 0.000 0.533 186 E N 0.377 120.558 120.200 -0.032 0.000 2.001 186 E HA -0.167 4.187 4.350 0.008 0.000 0.195 186 E C 2.314 178.933 176.600 0.030 0.000 1.002 186 E CA 1.668 58.038 56.400 -0.049 0.000 0.819 186 E CB -0.367 29.328 29.700 -0.008 0.000 0.769 186 E HN 0.816 nan 8.360 nan 0.000 0.454 187 S N 1.021 116.792 115.700 0.119 0.000 2.420 187 S HA -0.231 4.243 4.470 0.008 0.000 0.237 187 S C 1.621 176.277 174.600 0.094 0.000 1.023 187 S CA 1.429 59.731 58.200 0.170 0.000 0.991 187 S CB -0.420 62.826 63.200 0.077 0.000 0.792 187 S HN 0.305 nan 8.310 nan 0.000 0.488 188 D N 1.569 121.984 120.400 0.026 0.000 2.104 188 D HA -0.057 4.587 4.640 0.008 0.000 0.194 188 D C 1.926 178.207 176.300 -0.032 0.000 0.994 188 D CA 1.213 55.207 54.000 -0.011 0.000 0.830 188 D CB -0.157 40.633 40.800 -0.017 0.000 0.959 188 D HN 0.366 nan 8.370 nan 0.000 0.452 189 L N -0.177 121.006 121.223 -0.066 0.000 2.017 189 L HA -0.213 4.132 4.340 0.008 0.000 0.208 189 L C 2.565 179.379 176.870 -0.094 0.000 1.073 189 L CA 1.086 55.853 54.840 -0.121 0.000 0.745 189 L CB -0.549 41.373 42.059 -0.227 0.000 0.894 189 L HN 0.121 nan 8.230 nan 0.000 0.432 190 Y N 0.057 120.323 120.300 -0.056 0.000 2.193 190 Y HA -0.351 4.203 4.550 0.007 0.000 0.285 190 Y C 2.667 178.525 175.900 -0.069 0.000 1.166 190 Y CA 1.452 59.517 58.100 -0.059 0.000 1.181 190 Y CB -0.203 38.223 38.460 -0.057 0.000 0.976 190 Y HN 0.083 nan 8.280 nan 0.000 0.520 191 K N 0.253 120.698 120.400 0.076 0.000 2.032 191 K HA -0.178 4.147 4.320 0.008 0.000 0.209 191 K C 1.566 178.132 176.600 -0.056 0.000 1.048 191 K CA 1.316 57.598 56.287 -0.009 0.000 0.927 191 K CB -0.371 32.104 32.500 -0.043 0.000 0.712 191 K HN 0.260 nan 8.250 nan 0.000 0.441 192 L N 1.006 122.179 121.223 -0.084 0.000 2.700 192 L HA -0.044 4.301 4.340 0.008 0.000 0.240 192 L C -0.009 176.828 176.870 -0.055 0.000 1.162 192 L CA 0.494 55.264 54.840 -0.116 0.000 0.874 192 L CB -0.322 41.663 42.059 -0.122 0.000 1.001 192 L HN 0.188 nan 8.230 nan 0.000 0.447 193 K N 0.709 121.090 120.400 -0.032 0.000 3.148 193 K HA -0.189 4.136 4.320 0.008 0.000 0.267 193 K C -0.218 176.366 176.600 -0.026 0.000 0.996 193 K CA 0.531 56.806 56.287 -0.021 0.000 0.737 193 K CB -0.922 31.564 32.500 -0.023 0.000 1.308 193 K HN 0.215 nan 8.250 nan 0.000 0.470 194 E N 0.480 120.650 120.200 -0.050 0.000 2.260 194 E HA 0.128 4.482 4.350 0.008 0.000 0.266 194 E C -0.813 175.711 176.600 -0.126 0.000 0.887 194 E CA -0.631 55.734 56.400 -0.058 0.000 0.777 194 E CB 1.744 31.422 29.700 -0.037 0.000 1.205 194 E HN 0.314 nan 8.360 nan 0.000 0.414 195 C N 5.396 124.643 119.300 -0.087 0.000 2.653 195 C HA 0.216 4.681 4.460 0.008 0.000 0.421 195 C C -1.360 173.544 174.990 -0.145 0.000 1.334 195 C CA -1.202 57.755 59.018 -0.102 0.000 1.885 195 C CB -0.188 27.549 27.740 -0.005 0.000 2.645 195 C HN 0.510 nan 8.230 nan 0.000 0.601 196 P HA 0.124 nan 4.420 nan 0.000 0.249 196 P C 0.329 177.390 177.300 -0.397 0.000 1.241 196 P CA 0.910 63.777 63.100 -0.387 0.000 0.781 196 P CB -0.114 31.227 31.700 -0.597 0.000 1.088 197 F N -1.008 118.877 119.950 -0.108 0.000 2.694 197 F HA 0.168 4.699 4.527 0.008 0.000 0.292 197 F C 1.010 176.876 175.800 0.109 0.000 1.121 197 F CA -0.336 57.644 58.000 -0.034 0.000 1.352 197 F CB -0.233 38.670 39.000 -0.162 0.000 1.107 197 F HN -0.186 nan 8.300 nan 0.000 0.597 198 D N 1.344 121.880 120.400 0.226 0.000 2.493 198 D HA -0.013 4.631 4.640 0.008 0.000 0.240 198 D C 1.066 177.447 176.300 0.135 0.000 1.142 198 D CA 0.359 54.477 54.000 0.197 0.000 0.872 198 D CB 0.679 41.567 40.800 0.147 0.000 1.173 198 D HN 0.076 nan 8.370 nan 0.000 0.467 199 M N 2.109 121.800 119.600 0.152 0.000 2.306 199 M HA 0.325 4.810 4.480 0.008 0.000 0.292 199 M C 0.861 177.187 176.300 0.043 0.000 1.018 199 M CA 0.376 55.726 55.300 0.084 0.000 1.007 199 M CB -0.651 32.002 32.600 0.090 0.000 1.510 199 M HN 0.428 nan 8.290 nan 0.000 0.537 200 G N 1.519 110.383 108.800 0.107 0.000 2.569 200 G HA2 0.035 4.000 3.960 0.008 0.000 0.259 200 G HA3 0.035 4.000 3.960 0.008 0.000 0.259 200 G C 0.767 175.645 174.900 -0.037 0.000 1.263 200 G CA 1.113 46.144 45.100 -0.116 0.000 0.928 200 G HN 1.678 nan 8.290 nan 0.000 0.572 201 G N -2.975 105.654 108.800 -0.284 0.000 2.176 201 G HA2 0.024 3.988 3.960 0.008 0.000 0.253 201 G HA3 0.024 3.988 3.960 0.008 0.000 0.253 201 G C 0.538 175.316 174.900 -0.204 0.000 0.979 201 G CA 1.747 46.721 45.100 -0.210 0.000 0.641 201 G HN 2.285 nan 8.290 nan 0.000 0.530 202 Y N -1.340 118.770 120.300 -0.317 0.000 2.645 202 Y HA 0.869 5.424 4.550 0.008 0.000 0.341 202 Y C 0.429 176.013 175.900 -0.526 0.000 1.234 202 Y CA -1.914 56.040 58.100 -0.243 0.000 1.352 202 Y CB 0.582 38.990 38.460 -0.087 0.000 1.556 202 Y HN 0.011 nan 8.280 nan 0.000 0.607 203 F N -0.698 119.304 119.950 0.087 0.000 2.691 203 F HA 0.691 5.222 4.527 0.007 0.000 0.334 203 F C -1.222 174.648 175.800 0.116 0.000 1.107 203 F CA -1.127 56.867 58.000 -0.011 0.000 0.991 203 F CB 1.762 40.775 39.000 0.021 0.000 1.400 203 F HN 0.168 nan 8.300 nan 0.000 0.503 204 I N 2.747 123.501 120.570 0.308 0.000 2.569 204 I HA 0.506 4.681 4.170 0.008 0.000 0.290 204 I C -1.417 174.837 176.117 0.228 0.000 1.088 204 I CA -0.381 61.063 61.300 0.241 0.000 1.047 204 I CB 2.087 40.197 38.000 0.183 0.000 1.237 204 I HN 0.174 nan 8.210 nan 0.000 0.421 205 I N 5.681 126.355 120.570 0.174 0.000 2.667 205 I HA 0.301 4.475 4.170 0.008 0.000 0.288 205 I C 0.136 176.308 176.117 0.093 0.000 1.267 205 I CA -0.519 60.861 61.300 0.133 0.000 1.055 205 I CB 1.617 39.689 38.000 0.120 0.000 1.294 205 I HN 0.673 nan 8.210 nan 0.000 0.429 206 N N 3.995 122.736 118.700 0.068 0.000 2.857 206 N HA -0.213 4.531 4.740 0.008 0.000 0.242 206 N C 1.125 176.664 175.510 0.048 0.000 0.983 206 N CA 1.940 55.012 53.050 0.037 0.000 0.934 206 N CB -0.488 38.017 38.487 0.030 0.000 1.115 206 N HN 1.270 nan 8.380 nan 0.000 0.593 207 G N -1.559 107.289 108.800 0.080 0.000 2.179 207 G HA2 -0.247 3.718 3.960 0.008 0.000 0.220 207 G HA3 -0.247 3.718 3.960 0.008 0.000 0.220 207 G C -0.077 174.887 174.900 0.107 0.000 0.990 207 G CA 0.674 45.832 45.100 0.097 0.000 0.646 207 G HN 1.241 nan 8.290 nan 0.000 0.517 208 S N 0.192 115.953 115.700 0.102 0.000 2.462 208 S HA 0.655 5.129 4.470 0.008 0.000 0.294 208 S C -0.113 174.561 174.600 0.123 0.000 1.144 208 S CA -0.619 57.637 58.200 0.094 0.000 1.088 208 S CB 1.915 65.156 63.200 0.069 0.000 1.009 208 S HN 0.357 nan 8.310 nan 0.000 0.484 209 E N 2.765 123.028 120.200 0.105 0.000 2.415 209 E HA 0.131 4.485 4.350 0.008 0.000 0.260 209 E C -0.227 176.450 176.600 0.129 0.000 1.016 209 E CA 0.119 56.599 56.400 0.132 0.000 0.924 209 E CB 0.426 30.052 29.700 -0.123 0.000 0.961 209 E HN 0.443 nan 8.360 nan 0.000 0.459 210 K N 2.164 122.707 120.400 0.238 0.000 2.324 210 K HA 0.457 4.782 4.320 0.008 0.000 0.253 210 K C -0.794 175.950 176.600 0.241 0.000 0.932 210 K CA -0.841 55.564 56.287 0.196 0.000 0.799 210 K CB 2.311 34.916 32.500 0.175 0.000 1.154 210 K HN 0.204 nan 8.250 nan 0.000 0.425 211 V N 3.092 123.078 119.914 0.119 0.000 2.555 211 V HA 0.424 4.548 4.120 0.008 0.000 0.302 211 V C 0.058 176.132 176.094 -0.032 0.000 1.038 211 V CA -1.090 61.244 62.300 0.056 0.000 0.887 211 V CB 1.682 33.412 31.823 -0.154 0.000 0.991 211 V HN 0.577 nan 8.190 nan 0.000 0.434 212 L N 4.900 126.113 121.223 -0.017 0.000 2.281 212 L HA 0.470 4.815 4.340 0.008 0.000 0.285 212 L C -0.268 176.501 176.870 -0.168 0.000 1.074 212 L CA -0.072 54.670 54.840 -0.162 0.000 0.817 212 L CB 0.818 42.789 42.059 -0.147 0.000 1.168 212 L HN 0.484 nan 8.230 nan 0.000 0.434 213 I N 3.615 124.059 120.570 -0.210 0.000 2.325 213 I HA 0.221 4.395 4.170 0.008 0.000 0.291 213 I C 0.837 176.865 176.117 -0.148 0.000 1.019 213 I CA -0.456 60.740 61.300 -0.173 0.000 1.302 213 I CB 1.464 39.377 38.000 -0.145 0.000 1.401 213 I HN 0.664 nan 8.210 nan 0.000 0.485 214 A N 7.499 130.259 122.820 -0.100 0.000 2.561 214 A HA 0.044 4.369 4.320 0.008 0.000 0.251 214 A C 0.343 177.889 177.584 -0.063 0.000 1.062 214 A CA -0.106 51.889 52.037 -0.070 0.000 0.761 214 A CB -0.134 18.849 19.000 -0.029 0.000 0.986 214 A HN 0.655 nan 8.150 nan 0.000 0.510 215 Q N 1.022 120.778 119.800 -0.073 0.000 2.382 215 Q HA 0.385 4.730 4.340 0.008 0.000 0.229 215 Q C 0.085 176.078 176.000 -0.011 0.000 1.006 215 Q CA 0.075 55.851 55.803 -0.045 0.000 0.916 215 Q CB 1.074 29.780 28.738 -0.054 0.000 1.235 215 Q HN 0.863 nan 8.270 nan 0.000 0.512 216 E N 0.732 120.936 120.200 0.005 0.000 2.263 216 E HA 0.447 4.802 4.350 0.008 0.000 0.268 216 E C -1.260 175.351 176.600 0.019 0.000 0.884 216 E CA -0.568 55.843 56.400 0.019 0.000 0.766 216 E CB 1.334 31.069 29.700 0.058 0.000 1.196 216 E HN 0.590 nan 8.360 nan 0.000 0.416 217 R N 1.625 122.129 120.500 0.007 0.000 2.837 217 R HA 0.549 4.894 4.340 0.008 0.000 0.271 217 R C -0.779 175.522 176.300 0.000 0.000 0.993 217 R CA -0.947 55.160 56.100 0.011 0.000 0.931 217 R CB 1.722 32.031 30.300 0.015 0.000 1.206 217 R HN 0.282 nan 8.270 nan 0.000 0.474 218 S N 0.599 116.306 115.700 0.013 0.000 2.549 218 S HA 0.400 4.875 4.470 0.008 0.000 0.279 218 S C 0.161 174.765 174.600 0.007 0.000 1.321 218 S CA -0.208 57.999 58.200 0.013 0.000 1.054 218 S CB 0.362 63.585 63.200 0.038 0.000 0.899 218 S HN 0.699 nan 8.310 nan 0.000 0.497 219 A N 4.013 126.828 122.820 -0.008 0.000 2.445 219 A HA 0.553 4.878 4.320 0.008 0.000 0.242 219 A C 0.884 178.479 177.584 0.019 0.000 1.075 219 A CA 0.068 52.102 52.037 -0.005 0.000 0.777 219 A CB -0.273 18.709 19.000 -0.031 0.000 1.013 219 A HN 1.015 nan 8.150 nan 0.000 0.493 220 G N -0.019 108.792 108.800 0.019 0.000 2.562 220 G HA2 0.421 4.385 3.960 0.008 0.000 0.275 220 G HA3 0.421 4.385 3.960 0.008 0.000 0.275 220 G C 0.141 175.040 174.900 -0.001 0.000 1.196 220 G CA -0.065 45.035 45.100 0.000 0.000 0.908 220 G HN 1.024 nan 8.290 nan 0.000 0.524 221 N N -2.023 116.626 118.700 -0.086 0.000 2.776 221 N HA -0.155 4.589 4.740 0.008 0.000 0.250 221 N C -0.404 175.146 175.510 0.066 0.000 1.112 221 N CA 1.074 54.034 53.050 -0.151 0.000 0.733 221 N CB -1.361 37.040 38.487 -0.144 0.000 1.097 221 N HN 0.565 nan 8.380 nan 0.000 0.558 222 I N -0.780 119.841 120.570 0.084 0.000 2.466 222 I HA 0.337 4.511 4.170 0.008 0.000 0.289 222 I C 0.451 176.614 176.117 0.077 0.000 1.026 222 I CA -1.199 60.171 61.300 0.117 0.000 1.078 222 I CB 2.015 40.072 38.000 0.094 0.000 1.249 222 I HN -0.171 nan 8.210 nan 0.000 0.429 223 V N 7.030 126.997 119.914 0.089 0.000 2.521 223 V HA 0.177 4.302 4.120 0.008 0.000 0.286 223 V C -0.299 175.725 176.094 -0.118 0.000 1.034 223 V CA 0.629 62.936 62.300 0.012 0.000 1.045 223 V CB 0.859 32.710 31.823 0.046 0.000 0.974 223 V HN 0.864 nan 8.190 nan 0.000 0.480 224 Q N 4.444 124.098 119.800 -0.243 0.000 2.359 224 Q HA 0.660 5.004 4.340 0.008 0.000 0.274 224 Q C -1.382 174.230 176.000 -0.647 0.000 1.074 224 Q CA -0.753 54.756 55.803 -0.489 0.000 0.810 224 Q CB 2.743 31.057 28.738 -0.707 0.000 1.342 224 Q HN 0.687 nan 8.270 nan 0.000 0.427 225 V N 1.028 120.596 119.914 -0.578 0.000 2.547 225 V HA 0.563 4.688 4.120 0.008 0.000 0.299 225 V C -0.715 175.157 176.094 -0.369 0.000 1.040 225 V CA -0.578 61.494 62.300 -0.380 0.000 0.913 225 V CB 1.016 32.762 31.823 -0.129 0.000 0.992 225 V HN 0.701 nan 8.190 nan 0.000 0.449 226 F N 2.333 122.293 119.950 0.015 0.000 2.824 226 F HA 0.386 4.918 4.527 0.008 0.000 0.375 226 F C 0.729 176.477 175.800 -0.087 0.000 1.190 226 F CA -0.999 56.986 58.000 -0.024 0.000 1.180 226 F CB 1.256 40.245 39.000 -0.019 0.000 1.477 226 F HN 0.428 nan 8.300 nan 0.000 0.542 227 K N 3.286 123.716 120.400 0.050 0.000 2.586 227 K HA 0.044 4.368 4.320 0.008 0.000 0.280 227 K C -0.224 176.292 176.600 -0.140 0.000 0.972 227 K CA 0.686 56.825 56.287 -0.248 0.000 1.040 227 K CB 0.710 33.083 32.500 -0.211 0.000 0.870 227 K HN 0.571 nan 8.250 nan 0.000 0.497 228 K N 0.617 120.899 120.400 -0.195 0.000 2.435 228 K HA 0.373 4.697 4.320 0.008 0.000 0.251 228 K C -0.401 176.143 176.600 -0.094 0.000 0.954 228 K CA -0.766 55.458 56.287 -0.105 0.000 0.820 228 K CB 1.999 34.459 32.500 -0.067 0.000 1.292 228 K HN 0.702 nan 8.250 nan 0.000 0.436 229 A N 0.919 123.698 122.820 -0.068 0.000 2.611 229 A HA 0.014 4.339 4.320 0.008 0.000 0.259 229 A C 1.120 178.678 177.584 -0.043 0.000 1.177 229 A CA 1.355 53.360 52.037 -0.053 0.000 0.906 229 A CB -0.308 18.664 19.000 -0.046 0.000 1.095 229 A HN 0.899 nan 8.150 nan 0.000 0.530 230 A N -0.322 122.479 122.820 -0.032 0.000 1.935 230 A HA 0.207 4.531 4.320 0.008 0.000 0.214 230 A C -0.359 177.213 177.584 -0.021 0.000 1.178 230 A CA 1.258 53.282 52.037 -0.022 0.000 0.640 230 A CB -0.916 18.075 19.000 -0.015 0.000 0.825 230 A HN 0.695 nan 8.150 nan 0.000 0.447 231 P HA 0.163 nan 4.420 nan 0.000 0.254 231 P C -0.203 177.077 177.300 -0.033 0.000 1.620 231 P CA 0.230 63.316 63.100 -0.023 0.000 1.050 231 P CB -0.157 31.531 31.700 -0.020 0.000 1.539 232 S N 0.851 116.526 115.700 -0.042 0.000 2.509 232 S HA 0.490 4.965 4.470 0.008 0.000 0.297 232 S C -1.518 173.035 174.600 -0.078 0.000 1.118 232 S CA -1.371 56.791 58.200 -0.063 0.000 1.074 232 S CB 1.633 64.794 63.200 -0.066 0.000 1.038 232 S HN -0.135 nan 8.310 nan 0.000 0.498 233 P HA 0.146 nan 4.420 nan 0.000 0.234 233 P C -0.177 176.998 177.300 -0.208 0.000 1.167 233 P CA 0.413 63.413 63.100 -0.167 0.000 0.763 233 P CB -0.133 31.412 31.700 -0.258 0.000 0.835 234 I N 0.398 120.865 120.570 -0.172 0.000 2.378 234 I HA 0.139 4.313 4.170 0.008 0.000 0.291 234 I C 1.670 177.771 176.117 -0.026 0.000 0.992 234 I CA -0.651 60.578 61.300 -0.118 0.000 1.154 234 I CB 1.334 39.259 38.000 -0.126 0.000 1.315 234 I HN -0.122 nan 8.210 nan 0.000 0.448 235 S N 5.076 120.812 115.700 0.061 0.000 2.371 235 S HA 0.127 4.601 4.470 0.008 0.000 0.219 235 S C 0.563 175.162 174.600 -0.002 0.000 1.040 235 S CA 0.513 58.781 58.200 0.112 0.000 0.958 235 S CB -0.012 63.392 63.200 0.341 0.000 0.860 235 S HN 0.692 nan 8.310 nan 0.000 0.487 236 H N 0.246 119.335 119.070 0.032 0.000 2.782 236 H HA 0.639 5.200 4.556 0.008 0.000 0.347 236 H C -1.594 173.762 175.328 0.048 0.000 1.038 236 H CA -0.832 55.240 56.048 0.041 0.000 1.255 236 H CB 2.130 31.906 29.762 0.024 0.000 1.623 236 H HN 0.134 nan 8.280 nan 0.000 0.525 237 V N 1.452 121.455 119.914 0.148 0.000 2.680 237 V HA 0.657 4.782 4.120 0.008 0.000 0.309 237 V C -0.020 176.115 176.094 0.068 0.000 1.052 237 V CA -0.917 61.453 62.300 0.116 0.000 0.908 237 V CB 1.725 33.619 31.823 0.118 0.000 1.001 237 V HN 0.894 nan 8.190 nan 0.000 0.431 238 A N 2.934 125.770 122.820 0.025 0.000 2.304 238 A HA 0.758 5.083 4.320 0.008 0.000 0.314 238 A C -0.466 177.101 177.584 -0.027 0.000 1.187 238 A CA -0.517 51.485 52.037 -0.060 0.000 0.810 238 A CB 0.754 19.719 19.000 -0.059 0.000 1.183 238 A HN 0.853 nan 8.150 nan 0.000 0.487 239 E N 1.236 121.394 120.200 -0.070 0.000 2.195 239 E HA 0.603 4.958 4.350 0.008 0.000 0.271 239 E C -1.447 175.153 176.600 0.001 0.000 0.923 239 E CA -0.526 55.881 56.400 0.012 0.000 0.790 239 E CB 2.341 32.107 29.700 0.111 0.000 1.155 239 E HN 0.643 nan 8.360 nan 0.000 0.402 240 I N 2.454 123.044 120.570 0.033 0.000 2.500 240 I HA 0.289 4.464 4.170 0.008 0.000 0.286 240 I C -0.973 175.145 176.117 0.002 0.000 1.063 240 I CA -0.560 60.764 61.300 0.039 0.000 1.062 240 I CB 0.815 38.879 38.000 0.107 0.000 1.223 240 I HN 0.365 nan 8.210 nan 0.000 0.435 241 R N 5.182 125.679 120.500 -0.005 0.000 2.272 241 R HA 0.286 4.631 4.340 0.008 0.000 0.334 241 R C -0.386 175.860 176.300 -0.091 0.000 1.117 241 R CA -0.162 55.923 56.100 -0.024 0.000 0.966 241 R CB 0.622 30.923 30.300 0.003 0.000 1.049 241 R HN 0.681 nan 8.270 nan 0.000 0.477 242 S N 1.474 117.107 115.700 -0.111 0.000 2.433 242 S HA 0.764 5.239 4.470 0.008 0.000 0.310 242 S C -0.459 174.092 174.600 -0.082 0.000 1.097 242 S CA -0.806 57.273 58.200 -0.202 0.000 1.103 242 S CB 2.095 65.183 63.200 -0.187 0.000 0.992 242 S HN 0.590 nan 8.310 nan 0.000 0.469 243 A N 2.962 125.736 122.820 -0.076 0.000 2.572 243 A HA 0.722 5.047 4.320 0.008 0.000 0.295 243 A C -1.278 176.314 177.584 0.014 0.000 1.072 243 A CA -1.015 51.026 52.037 0.007 0.000 0.691 243 A CB 0.908 19.925 19.000 0.029 0.000 1.291 243 A HN 0.768 nan 8.150 nan 0.000 0.404 244 L N 1.306 122.550 121.223 0.035 0.000 2.276 244 L HA 0.412 4.757 4.340 0.008 0.000 0.286 244 L C 1.545 178.436 176.870 0.035 0.000 1.061 244 L CA -0.128 54.729 54.840 0.029 0.000 0.807 244 L CB 0.843 42.903 42.059 0.001 0.000 1.177 244 L HN 0.987 nan 8.230 nan 0.000 0.429 245 E N 2.645 122.868 120.200 0.039 0.000 2.265 245 E HA -0.216 4.138 4.350 0.008 0.000 0.196 245 E C 0.439 177.067 176.600 0.046 0.000 0.996 245 E CA 1.511 57.938 56.400 0.046 0.000 0.832 245 E CB 0.001 29.730 29.700 0.049 0.000 0.756 245 E HN 0.697 nan 8.360 nan 0.000 0.491 246 K N -0.360 120.062 120.400 0.037 0.000 3.278 246 K HA 0.456 4.781 4.320 0.008 0.000 0.200 246 K C -0.517 176.102 176.600 0.031 0.000 1.107 246 K CA -0.398 55.912 56.287 0.039 0.000 0.923 246 K CB 1.126 33.648 32.500 0.036 0.000 0.787 246 K HN 0.104 nan 8.250 nan 0.000 0.481 247 G N 0.282 109.100 108.800 0.030 0.000 2.635 247 G HA2 0.430 4.394 3.960 0.008 0.000 0.295 247 G HA3 0.430 4.394 3.960 0.008 0.000 0.295 247 G C -0.514 174.402 174.900 0.026 0.000 1.359 247 G CA -0.061 45.045 45.100 0.011 0.000 1.232 247 G HN 0.224 nan 8.290 nan 0.000 0.597 248 S N -0.134 115.607 115.700 0.069 0.000 3.961 248 S HA -0.268 4.207 4.470 0.008 0.000 0.627 248 S C 0.802 175.510 174.600 0.181 0.000 2.148 248 S CA 1.686 59.977 58.200 0.151 0.000 4.099 248 S CB -0.508 62.810 63.200 0.197 0.000 0.219 248 S HN 1.788 nan 8.310 nan 0.000 0.744 249 R N 0.140 120.809 120.500 0.283 0.000 2.747 249 R HA 0.356 4.701 4.340 0.008 0.000 0.200 249 R C -1.461 174.988 176.300 0.249 0.000 1.438 249 R CA 0.096 56.320 56.100 0.206 0.000 1.334 249 R CB -0.658 29.715 30.300 0.121 0.000 1.523 249 R HN 0.409 nan 8.270 nan 0.000 0.741 250 F N 2.890 122.844 119.950 0.006 0.000 2.733 250 F HA 0.273 4.804 4.527 0.008 0.000 0.344 250 F C 0.560 176.342 175.800 -0.030 0.000 1.179 250 F CA -0.636 57.356 58.000 -0.013 0.000 1.316 250 F CB 0.394 39.389 39.000 -0.009 0.000 1.577 250 F HN 0.153 nan 8.300 nan 0.000 0.591 251 I N 1.268 121.875 120.570 0.060 0.000 2.886 251 I HA -0.123 4.052 4.170 0.008 0.000 0.293 251 I C 0.767 176.871 176.117 -0.020 0.000 1.157 251 I CA 0.692 62.003 61.300 0.019 0.000 1.472 251 I CB -0.833 37.170 38.000 0.004 0.000 1.492 251 I HN 0.162 nan 8.210 nan 0.000 0.652 252 S N 5.757 121.454 115.700 -0.005 0.000 2.422 252 S HA 0.521 4.996 4.470 0.008 0.000 0.308 252 S C 0.214 174.791 174.600 -0.037 0.000 1.097 252 S CA -0.559 57.619 58.200 -0.037 0.000 1.099 252 S CB 0.446 63.634 63.200 -0.020 0.000 0.976 252 S HN 0.690 nan 8.310 nan 0.000 0.471 253 T N 3.648 118.180 114.554 -0.037 0.000 2.797 253 T HA 0.641 4.996 4.350 0.008 0.000 0.279 253 T C -0.582 174.105 174.700 -0.023 0.000 0.991 253 T CA -0.821 61.266 62.100 -0.022 0.000 0.979 253 T CB 1.228 70.094 68.868 -0.002 0.000 0.943 253 T HN 0.495 nan 8.240 nan 0.000 0.444 254 L N 2.381 123.589 121.223 -0.026 0.000 2.322 254 L HA 0.549 4.894 4.340 0.008 0.000 0.281 254 L C -0.585 176.290 176.870 0.010 0.000 1.014 254 L CA -0.399 54.422 54.840 -0.031 0.000 0.815 254 L CB 1.873 43.868 42.059 -0.107 0.000 1.247 254 L HN 0.754 nan 8.230 nan 0.000 0.421 255 Q N 3.750 123.568 119.800 0.029 0.000 2.333 255 Q HA 0.473 4.818 4.340 0.008 0.000 0.268 255 Q C -1.175 174.862 176.000 0.061 0.000 1.007 255 Q CA -0.761 55.074 55.803 0.052 0.000 0.810 255 Q CB 2.493 31.270 28.738 0.065 0.000 1.264 255 Q HN 0.519 nan 8.270 nan 0.000 0.452 256 V N 4.285 124.234 119.914 0.060 0.000 2.218 256 V HA 0.154 4.278 4.120 0.008 0.000 0.261 256 V C 0.073 176.221 176.094 0.090 0.000 1.142 256 V CA -0.494 61.845 62.300 0.065 0.000 0.965 256 V CB -0.252 31.599 31.823 0.045 0.000 1.190 256 V HN 0.589 nan 8.190 nan 0.000 0.478 257 K N 2.933 123.409 120.400 0.126 0.000 2.319 257 K HA 0.392 4.717 4.320 0.008 0.000 0.265 257 K C -0.599 176.124 176.600 0.205 0.000 1.000 257 K CA -0.554 55.840 56.287 0.178 0.000 0.943 257 K CB 1.227 33.893 32.500 0.276 0.000 0.950 257 K HN 0.337 nan 8.250 nan 0.000 0.485 258 L N 3.416 124.768 121.223 0.216 0.000 2.427 258 L HA 0.276 4.621 4.340 0.008 0.000 0.264 258 L C -1.401 175.627 176.870 0.263 0.000 0.989 258 L CA -0.576 54.396 54.840 0.220 0.000 0.865 258 L CB 0.287 42.431 42.059 0.141 0.000 1.209 258 L HN 0.391 nan 8.230 nan 0.000 0.430 259 Y N 3.070 123.399 120.300 0.048 0.000 2.296 259 Y HA 0.574 5.128 4.550 0.008 0.000 0.343 259 Y C 1.321 177.247 175.900 0.043 0.000 1.292 259 Y CA 0.302 58.429 58.100 0.044 0.000 1.490 259 Y CB 0.633 39.114 38.460 0.036 0.000 1.359 259 Y HN 0.866 nan 8.280 nan 0.000 0.599 260 G N 2.232 111.137 108.800 0.174 0.000 3.285 260 G HA2 -0.175 3.789 3.960 0.008 0.000 0.685 260 G HA3 -0.175 3.789 3.960 0.008 0.000 0.685 260 G C -0.264 174.686 174.900 0.083 0.000 0.938 260 G CA -1.004 44.163 45.100 0.111 0.000 0.778 260 G HN 0.516 nan 8.290 nan 0.000 0.515 261 R N 0.949 121.485 120.500 0.059 0.000 2.893 261 R HA 0.134 4.479 4.340 0.008 0.000 0.279 261 R C 0.904 177.239 176.300 0.057 0.000 1.076 261 R CA -0.341 55.792 56.100 0.055 0.000 1.203 261 R CB 0.271 30.593 30.300 0.037 0.000 1.137 261 R HN 0.720 nan 8.270 nan 0.000 0.541 262 E N 0.804 121.039 120.200 0.059 0.000 2.238 262 E HA 0.065 4.420 4.350 0.008 0.000 0.264 262 E C 0.579 177.200 176.600 0.036 0.000 1.136 262 E CA 0.961 57.389 56.400 0.047 0.000 0.929 262 E CB 0.211 29.943 29.700 0.052 0.000 1.010 262 E HN 0.738 nan 8.360 nan 0.000 0.440 263 G N 3.723 112.543 108.800 0.032 0.000 2.953 263 G HA2 -0.252 3.712 3.960 0.008 0.000 0.201 263 G HA3 -0.252 3.712 3.960 0.008 0.000 0.201 263 G C 0.388 175.307 174.900 0.032 0.000 1.501 263 G CA -0.020 45.098 45.100 0.030 0.000 1.094 263 G HN 0.570 nan 8.290 nan 0.000 0.555 264 S N 2.014 117.736 115.700 0.035 0.000 2.953 264 S HA 0.351 4.826 4.470 0.008 0.000 0.348 264 S C 1.049 175.673 174.600 0.039 0.000 1.215 264 S CA 0.902 59.125 58.200 0.039 0.000 1.019 264 S CB -0.004 63.224 63.200 0.048 0.000 0.726 264 S HN 1.756 nan 8.310 nan 0.000 0.503 265 S N 3.812 119.533 115.700 0.036 0.000 2.549 265 S HA 0.567 5.041 4.470 0.008 0.000 0.279 265 S C 0.365 174.986 174.600 0.035 0.000 1.321 265 S CA -0.329 57.891 58.200 0.033 0.000 1.054 265 S CB 0.924 64.141 63.200 0.028 0.000 0.899 265 S HN 1.983 nan 8.310 nan 0.000 0.497 266 A N 2.523 125.362 122.820 0.032 0.000 2.165 266 A HA -0.135 4.190 4.320 0.008 0.000 0.272 266 A C 0.388 177.995 177.584 0.038 0.000 1.398 266 A CA -0.053 52.002 52.037 0.030 0.000 0.726 266 A CB -1.605 17.408 19.000 0.021 0.000 1.179 266 A HN 0.813 nan 8.150 nan 0.000 0.327 267 R N 1.551 122.074 120.500 0.039 0.000 2.605 267 R HA 0.126 4.471 4.340 0.008 0.000 0.271 267 R C 0.851 177.179 176.300 0.046 0.000 1.418 267 R CA 0.783 56.914 56.100 0.052 0.000 1.102 267 R CB -0.184 30.139 30.300 0.039 0.000 1.131 267 R HN 0.872 nan 8.270 nan 0.000 0.554 268 T N 2.471 117.053 114.554 0.047 0.000 2.761 268 T HA 0.292 4.647 4.350 0.008 0.000 0.296 268 T C 0.576 175.272 174.700 -0.006 0.000 0.934 268 T CA -0.515 61.583 62.100 -0.003 0.000 1.091 268 T CB 0.305 69.137 68.868 -0.061 0.000 0.896 268 T HN 0.337 nan 8.240 nan 0.000 0.515 269 I N 4.861 125.428 120.570 -0.005 0.000 2.365 269 I HA 0.449 4.624 4.170 0.008 0.000 0.291 269 I C 0.644 176.744 176.117 -0.027 0.000 1.004 269 I CA -0.668 60.642 61.300 0.017 0.000 1.311 269 I CB 1.259 39.281 38.000 0.037 0.000 1.401 269 I HN 0.663 nan 8.210 nan 0.000 0.491 270 K N 4.111 124.504 120.400 -0.013 0.000 2.283 270 K HA 0.926 5.251 4.320 0.008 0.000 0.257 270 K C -1.289 175.338 176.600 0.045 0.000 1.066 270 K CA -0.909 55.363 56.287 -0.027 0.000 0.891 270 K CB 2.403 34.818 32.500 -0.142 0.000 1.438 270 K HN 0.635 nan 8.250 nan 0.000 0.464 271 A N 0.241 123.089 122.820 0.048 0.000 2.587 271 A HA 0.591 4.915 4.320 0.008 0.000 0.293 271 A C -1.368 176.258 177.584 0.071 0.000 1.087 271 A CA -0.565 51.513 52.037 0.067 0.000 0.692 271 A CB 1.905 20.942 19.000 0.061 0.000 1.291 271 A HN 0.425 nan 8.150 nan 0.000 0.407 272 T N 1.952 116.550 114.554 0.073 0.000 2.756 272 T HA 0.540 4.894 4.350 0.008 0.000 0.290 272 T C -0.603 174.135 174.700 0.063 0.000 0.985 272 T CA 0.084 62.222 62.100 0.063 0.000 0.955 272 T CB -0.146 68.757 68.868 0.059 0.000 0.930 272 T HN 0.404 nan 8.240 nan 0.000 0.451 273 L N 6.413 127.674 121.223 0.063 0.000 2.287 273 L HA 0.399 4.743 4.340 0.008 0.000 0.287 273 L C -1.924 174.975 176.870 0.047 0.000 1.022 273 L CA -2.461 52.429 54.840 0.084 0.000 0.814 273 L CB 1.150 43.258 42.059 0.082 0.000 1.217 273 L HN 0.327 nan 8.230 nan 0.000 0.420 274 P HA -0.174 nan 4.420 nan 0.000 0.257 274 P C -0.610 176.706 177.300 0.026 0.000 1.153 274 P CA 0.543 63.614 63.100 -0.047 0.000 0.762 274 P CB 0.041 31.678 31.700 -0.106 0.000 0.743 275 Y N -0.703 119.596 120.300 -0.002 0.000 4.838 275 Y HA -0.179 4.376 4.550 0.008 0.000 0.247 275 Y C 0.534 176.407 175.900 -0.044 0.000 1.009 275 Y CA -0.021 58.073 58.100 -0.010 0.000 2.046 275 Y CB -2.198 36.258 38.460 -0.008 0.000 1.549 275 Y HN 0.358 nan 8.280 nan 0.000 0.651 276 I N -0.239 120.391 120.570 0.100 0.000 2.569 276 I HA 0.188 4.363 4.170 0.008 0.000 0.296 276 I C 1.234 177.360 176.117 0.016 0.000 1.028 276 I CA -0.975 60.332 61.300 0.012 0.000 1.082 276 I CB 1.961 39.934 38.000 -0.045 0.000 1.264 276 I HN -0.156 nan 8.210 nan 0.000 0.429 277 K N 2.313 122.710 120.400 -0.006 0.000 2.152 277 K HA -0.111 4.213 4.320 0.008 0.000 0.206 277 K C 0.618 177.217 176.600 -0.001 0.000 1.048 277 K CA 1.325 57.613 56.287 0.001 0.000 0.933 277 K CB 0.047 32.539 32.500 -0.013 0.000 0.721 277 K HN 0.486 nan 8.250 nan 0.000 0.447 278 Q N -0.868 118.918 119.800 -0.023 0.000 2.878 278 Q HA 0.149 4.494 4.340 0.008 0.000 0.341 278 Q C -1.524 174.477 176.000 0.003 0.000 0.824 278 Q CA -0.865 54.936 55.803 -0.002 0.000 0.811 278 Q CB 1.794 30.524 28.738 -0.013 0.000 1.364 278 Q HN -0.042 nan 8.270 nan 0.000 0.514 279 D N 0.830 121.247 120.400 0.029 0.000 2.294 279 D HA 0.405 5.050 4.640 0.008 0.000 0.250 279 D C -0.511 175.794 176.300 0.007 0.000 1.058 279 D CA -0.036 53.985 54.000 0.035 0.000 0.950 279 D CB 1.083 41.925 40.800 0.071 0.000 1.158 279 D HN 0.270 nan 8.370 nan 0.000 0.453 280 I N 1.778 122.356 120.570 0.013 0.000 2.497 280 I HA 0.203 4.377 4.170 0.008 0.000 0.284 280 I C -2.498 173.639 176.117 0.034 0.000 1.060 280 I CA -2.369 58.951 61.300 0.033 0.000 1.071 280 I CB 1.293 39.291 38.000 -0.003 0.000 1.216 280 I HN -0.144 nan 8.210 nan 0.000 0.442 281 P HA -0.007 nan 4.420 nan 0.000 0.263 281 P C 1.212 178.526 177.300 0.023 0.000 1.168 281 P CA 0.111 63.222 63.100 0.017 0.000 0.759 281 P CB 0.537 32.249 31.700 0.019 0.000 0.782 282 I N 2.787 123.364 120.570 0.012 0.000 2.454 282 I HA -0.216 3.959 4.170 0.008 0.000 0.254 282 I C 1.780 177.915 176.117 0.030 0.000 1.156 282 I CA 1.296 62.579 61.300 -0.029 0.000 1.433 282 I CB -1.609 36.381 38.000 -0.016 0.000 1.082 282 I HN 0.174 nan 8.210 nan 0.000 0.432 283 V N -0.070 119.910 119.914 0.111 0.000 2.358 283 V HA -0.161 3.963 4.120 0.008 0.000 0.246 283 V C 2.535 178.703 176.094 0.124 0.000 1.047 283 V CA 1.399 63.797 62.300 0.164 0.000 1.035 283 V CB -1.161 30.731 31.823 0.116 0.000 0.658 283 V HN 0.416 nan 8.190 nan 0.000 0.452 284 I N 0.450 121.069 120.570 0.082 0.000 2.099 284 I HA -0.209 3.966 4.170 0.008 0.000 0.239 284 I C 2.749 178.893 176.117 0.045 0.000 1.066 284 I CA 1.829 63.176 61.300 0.079 0.000 1.324 284 I CB -1.235 36.842 38.000 0.128 0.000 1.037 284 I HN 0.235 nan 8.210 nan 0.000 0.401 285 I N 1.009 121.577 120.570 -0.004 0.000 2.087 285 I HA -0.328 3.846 4.170 0.008 0.000 0.240 285 I C 2.807 178.873 176.117 -0.085 0.000 1.054 285 I CA 1.909 63.152 61.300 -0.095 0.000 1.311 285 I CB -1.395 36.519 38.000 -0.145 0.000 1.024 285 I HN 0.129 nan 8.210 nan 0.000 0.402 286 F N 0.653 120.589 119.950 -0.024 0.000 2.161 286 F HA -0.245 4.287 4.527 0.008 0.000 0.300 286 F C 2.852 178.599 175.800 -0.088 0.000 1.089 286 F CA 1.113 59.072 58.000 -0.067 0.000 1.282 286 F CB -0.242 38.716 39.000 -0.070 0.000 1.010 286 F HN 0.036 nan 8.300 nan 0.000 0.485 287 R N -0.170 120.411 120.500 0.135 0.000 2.073 287 R HA -0.072 4.272 4.340 0.008 0.000 0.229 287 R C 2.446 178.759 176.300 0.022 0.000 1.120 287 R CA 0.997 57.132 56.100 0.058 0.000 0.967 287 R CB -0.587 29.745 30.300 0.054 0.000 0.862 287 R HN 0.218 nan 8.270 nan 0.000 0.436 288 A N 0.840 123.663 122.820 0.006 0.000 2.024 288 A HA -0.148 4.177 4.320 0.008 0.000 0.220 288 A C 2.006 179.556 177.584 -0.057 0.000 1.164 288 A CA 1.173 53.191 52.037 -0.032 0.000 0.643 288 A CB -0.456 18.508 19.000 -0.061 0.000 0.806 288 A HN 0.240 nan 8.150 nan 0.000 0.451 289 L N -2.251 118.941 121.223 -0.053 0.000 2.418 289 L HA 0.103 4.448 4.340 0.008 0.000 0.218 289 L C 1.750 178.607 176.870 -0.021 0.000 1.125 289 L CA 0.951 55.760 54.840 -0.053 0.000 0.835 289 L CB -0.056 41.990 42.059 -0.021 0.000 0.953 289 L HN 0.644 nan 8.230 nan 0.000 0.454 290 G N 0.167 108.957 108.800 -0.017 0.000 2.205 290 G HA2 -0.183 3.781 3.960 0.008 0.000 0.180 290 G HA3 -0.183 3.781 3.960 0.008 0.000 0.180 290 G C -0.094 174.773 174.900 -0.056 0.000 1.004 290 G CA -0.566 44.517 45.100 -0.028 0.000 0.670 290 G HN 0.135 nan 8.290 nan 0.000 0.496 291 I N 2.506 123.028 120.570 -0.081 0.000 2.287 291 I HA 0.389 4.564 4.170 0.008 0.000 0.290 291 I C 1.382 177.445 176.117 -0.089 0.000 1.069 291 I CA -0.728 60.477 61.300 -0.159 0.000 1.237 291 I CB 0.946 38.709 38.000 -0.394 0.000 1.418 291 I HN -0.065 nan 8.210 nan 0.000 0.481 292 I N 6.509 127.040 120.570 -0.065 0.000 2.400 292 I HA 0.090 4.265 4.170 0.008 0.000 0.248 292 I C -1.524 174.575 176.117 -0.029 0.000 1.109 292 I CA 0.284 61.565 61.300 -0.030 0.000 1.425 292 I CB -1.742 36.245 38.000 -0.021 0.000 1.094 292 I HN 0.324 nan 8.210 nan 0.000 0.425 293 P HA 0.184 nan 4.420 nan 0.000 0.288 293 P C -0.614 176.658 177.300 -0.047 0.000 1.267 293 P CA -0.507 62.568 63.100 -0.041 0.000 0.815 293 P CB 0.655 32.328 31.700 -0.045 0.000 0.989 294 D N 1.337 121.725 120.400 -0.020 0.000 2.461 294 D HA 0.096 4.740 4.640 0.008 0.000 0.231 294 D C 1.762 178.039 176.300 -0.038 0.000 1.208 294 D CA 2.128 56.118 54.000 -0.016 0.000 0.879 294 D CB -0.161 40.639 40.800 0.001 0.000 1.220 294 D HN 0.737 nan 8.370 nan 0.000 0.480 295 G N 1.265 110.042 108.800 -0.038 0.000 2.507 295 G HA2 -0.418 3.546 3.960 0.008 0.000 0.240 295 G HA3 -0.418 3.546 3.960 0.008 0.000 0.240 295 G C 1.030 175.901 174.900 -0.048 0.000 1.119 295 G CA 0.661 45.738 45.100 -0.038 0.000 0.664 295 G HN 0.582 nan 8.290 nan 0.000 0.516 296 E N -0.007 120.153 120.200 -0.067 0.000 2.190 296 E HA 0.113 4.467 4.350 0.008 0.000 0.191 296 E C 2.602 179.106 176.600 -0.159 0.000 0.978 296 E CA 0.411 56.766 56.400 -0.074 0.000 0.839 296 E CB -0.074 29.579 29.700 -0.078 0.000 0.787 296 E HN 0.486 nan 8.360 nan 0.000 0.473 297 I N 1.583 122.021 120.570 -0.220 0.000 2.151 297 I HA -0.314 3.861 4.170 0.008 0.000 0.243 297 I C 2.320 178.262 176.117 -0.291 0.000 1.080 297 I CA 1.394 62.467 61.300 -0.379 0.000 1.339 297 I CB -1.099 36.788 38.000 -0.189 0.000 1.039 297 I HN 0.252 nan 8.210 nan 0.000 0.409 298 L N -0.231 120.916 121.223 -0.127 0.000 2.291 298 L HA -0.089 4.256 4.340 0.008 0.000 0.214 298 L C 2.345 179.179 176.870 -0.060 0.000 1.120 298 L CA 0.812 55.608 54.840 -0.073 0.000 0.799 298 L CB -0.630 41.409 42.059 -0.034 0.000 0.925 298 L HN 0.266 nan 8.230 nan 0.000 0.446 299 E N -0.328 119.855 120.200 -0.028 0.000 2.274 299 E HA -0.139 4.215 4.350 0.008 0.000 0.194 299 E C 1.896 178.530 176.600 0.058 0.000 0.996 299 E CA 0.725 57.142 56.400 0.030 0.000 0.840 299 E CB 0.053 29.786 29.700 0.056 0.000 0.772 299 E HN 0.622 nan 8.360 nan 0.000 0.491 300 H N -0.661 118.312 119.070 -0.163 0.000 2.512 300 H HA 0.096 4.657 4.556 0.008 0.000 0.279 300 H C 1.902 177.240 175.328 0.017 0.000 0.999 300 H CA 0.535 56.505 56.048 -0.130 0.000 1.283 300 H CB 0.691 30.110 29.762 -0.573 0.000 1.421 300 H HN 0.142 nan 8.280 nan 0.000 0.554 301 I N -0.455 120.080 120.570 -0.058 0.000 3.098 301 I HA -0.056 4.119 4.170 0.008 0.000 0.241 301 I C 0.966 176.777 176.117 -0.510 0.000 1.081 301 I CA 0.146 61.368 61.300 -0.130 0.000 1.487 301 I CB 0.584 38.593 38.000 0.015 0.000 1.366 301 I HN 0.073 nan 8.210 nan 0.000 0.463 302 C N 1.445 120.546 119.300 -0.332 0.000 2.265 302 C HA 0.294 4.759 4.460 0.008 0.000 0.332 302 C C 0.511 175.384 174.990 -0.195 0.000 1.248 302 C CA -0.474 58.375 59.018 -0.281 0.000 1.727 302 C CB -1.108 26.569 27.740 -0.105 0.000 2.348 302 C HN 0.414 nan 8.230 nan 0.000 0.519 303 Y N 3.622 124.007 120.300 0.141 0.000 2.676 303 Y HA 0.320 4.875 4.550 0.008 0.000 0.331 303 Y C 0.529 176.503 175.900 0.124 0.000 1.128 303 Y CA -0.238 57.962 58.100 0.166 0.000 1.360 303 Y CB -0.135 38.473 38.460 0.246 0.000 1.176 303 Y HN 0.842 nan 8.280 nan 0.000 0.518 304 D N -1.798 118.712 120.400 0.183 0.000 2.205 304 D HA 0.033 4.678 4.640 0.008 0.000 0.168 304 D C -0.345 176.016 176.300 0.102 0.000 1.167 304 D CA -0.334 53.752 54.000 0.143 0.000 0.834 304 D CB 0.616 41.498 40.800 0.137 0.000 2.599 304 D HN -0.104 nan 8.370 nan 0.000 0.497 305 V N 3.141 123.112 119.914 0.096 0.000 3.592 305 V HA 0.060 4.184 4.120 0.008 0.000 0.272 305 V C 1.637 177.789 176.094 0.096 0.000 1.228 305 V CA 0.348 62.695 62.300 0.078 0.000 1.173 305 V CB -0.843 31.013 31.823 0.055 0.000 0.873 305 V HN 0.552 nan 8.190 nan 0.000 0.476 306 N N 0.745 119.510 118.700 0.108 0.000 2.250 306 N HA -0.088 4.657 4.740 0.008 0.000 0.181 306 N C 1.190 176.821 175.510 0.202 0.000 1.017 306 N CA 0.870 54.005 53.050 0.142 0.000 0.866 306 N CB -0.290 38.272 38.487 0.124 0.000 0.985 306 N HN 0.424 nan 8.380 nan 0.000 0.429 307 D N 2.200 122.672 120.400 0.121 0.000 2.738 307 D HA -0.102 4.543 4.640 0.008 0.000 0.226 307 D C 1.471 177.762 176.300 -0.015 0.000 1.070 307 D CA -0.265 53.752 54.000 0.029 0.000 1.153 307 D CB -0.535 40.257 40.800 -0.013 0.000 1.141 307 D HN 0.333 nan 8.370 nan 0.000 0.459 308 W N 1.463 122.769 121.300 0.010 0.000 2.308 308 W HA -0.268 4.397 4.660 0.008 0.000 0.301 308 W C 1.144 177.665 176.519 0.004 0.000 1.220 308 W CA 0.509 57.858 57.345 0.006 0.000 1.240 308 W CB -0.864 28.600 29.460 0.006 0.000 1.142 308 W HN 0.265 nan 8.180 nan 0.000 0.521 309 Q N 0.726 119.931 119.800 -0.991 0.000 2.002 309 Q HA -0.268 4.076 4.340 0.008 0.000 0.204 309 Q C 2.372 178.147 176.000 -0.375 0.000 0.988 309 Q CA 2.535 57.783 55.803 -0.925 0.000 0.843 309 Q CB -0.681 27.462 28.738 -0.991 0.000 0.908 309 Q HN 0.304 nan 8.270 nan 0.000 0.420 310 M N 1.114 120.545 119.600 -0.281 0.000 2.151 310 M HA -0.251 4.234 4.480 0.008 0.000 0.256 310 M C 1.966 178.210 176.300 -0.094 0.000 1.072 310 M CA 1.783 56.990 55.300 -0.155 0.000 1.090 310 M CB -0.532 31.997 32.600 -0.117 0.000 1.294 310 M HN 0.182 nan 8.290 nan 0.000 0.415 311 L N -0.536 120.653 121.223 -0.056 0.000 1.997 311 L HA -0.262 4.082 4.340 0.008 0.000 0.216 311 L C 2.545 179.426 176.870 0.019 0.000 1.074 311 L CA 1.959 56.802 54.840 0.005 0.000 0.763 311 L CB -1.130 40.964 42.059 0.058 0.000 0.890 311 L HN 0.384 nan 8.230 nan 0.000 0.434 312 E N -0.035 120.182 120.200 0.028 0.000 2.130 312 E HA -0.243 4.112 4.350 0.008 0.000 0.196 312 E C 2.261 178.868 176.600 0.012 0.000 0.998 312 E CA 1.460 57.893 56.400 0.055 0.000 0.806 312 E CB -0.096 29.661 29.700 0.095 0.000 0.738 312 E HN 0.302 nan 8.360 nan 0.000 0.459 313 M N -0.645 118.934 119.600 -0.035 0.000 2.117 313 M HA -0.154 4.331 4.480 0.008 0.000 0.262 313 M C 2.161 178.456 176.300 -0.007 0.000 1.065 313 M CA 1.216 56.495 55.300 -0.034 0.000 1.114 313 M CB -0.298 32.261 32.600 -0.068 0.000 1.361 313 M HN 0.210 nan 8.290 nan 0.000 0.408 314 L N -0.392 120.830 121.223 -0.001 0.000 2.291 314 L HA -0.173 4.172 4.340 0.008 0.000 0.214 314 L C 2.462 179.350 176.870 0.030 0.000 1.120 314 L CA 0.717 55.567 54.840 0.017 0.000 0.799 314 L CB -0.432 41.639 42.059 0.020 0.000 0.925 314 L HN 0.255 nan 8.230 nan 0.000 0.446 315 K N 0.385 120.805 120.400 0.034 0.000 2.049 315 K HA -0.243 4.082 4.320 0.008 0.000 0.219 315 K C -0.484 176.142 176.600 0.044 0.000 1.056 315 K CA 2.421 58.735 56.287 0.045 0.000 0.946 315 K CB -1.353 31.177 32.500 0.051 0.000 0.723 315 K HN 0.271 nan 8.250 nan 0.000 0.453 316 P HA -0.158 nan 4.420 nan 0.000 0.220 316 P C 1.359 178.669 177.300 0.017 0.000 1.144 316 P CA 1.307 64.421 63.100 0.024 0.000 0.800 316 P CB -0.232 31.480 31.700 0.019 0.000 0.772 317 C N -0.380 118.935 119.300 0.026 0.000 2.473 317 C HA -0.088 4.377 4.460 0.008 0.000 0.279 317 C C 2.929 177.940 174.990 0.035 0.000 1.250 317 C CA 0.644 59.678 59.018 0.027 0.000 1.713 317 C CB -1.583 26.186 27.740 0.048 0.000 2.066 317 C HN 0.109 nan 8.230 nan 0.000 0.474 318 V N 1.960 121.910 119.914 0.060 0.000 2.363 318 V HA -0.280 3.845 4.120 0.008 0.000 0.254 318 V C 2.311 178.461 176.094 0.093 0.000 1.074 318 V CA 2.327 64.682 62.300 0.091 0.000 1.069 318 V CB -0.910 30.977 31.823 0.106 0.000 0.659 318 V HN 0.681 nan 8.190 nan 0.000 0.455 319 E N -0.607 119.621 120.200 0.046 0.000 2.435 319 E HA -0.131 4.224 4.350 0.008 0.000 0.195 319 E C 1.377 177.892 176.600 -0.142 0.000 1.029 319 E CA 0.706 57.089 56.400 -0.029 0.000 0.865 319 E CB -0.137 29.567 29.700 0.006 0.000 0.833 319 E HN 0.516 nan 8.360 nan 0.000 0.510 320 D N 0.444 120.791 120.400 -0.088 0.000 2.340 320 D HA 0.013 4.658 4.640 0.008 0.000 0.220 320 D C 1.574 177.804 176.300 -0.117 0.000 1.039 320 D CA 0.483 54.415 54.000 -0.114 0.000 0.866 320 D CB 0.219 40.974 40.800 -0.076 0.000 0.913 320 D HN 0.218 nan 8.370 nan 0.000 0.523 321 G N 0.083 108.836 108.800 -0.078 0.000 2.570 321 G HA2 -0.067 3.897 3.960 0.008 0.000 0.209 321 G HA3 -0.067 3.897 3.960 0.008 0.000 0.209 321 G C 0.835 175.736 174.900 0.002 0.000 1.168 321 G CA -0.095 44.997 45.100 -0.013 0.000 0.831 321 G HN 0.324 nan 8.290 nan 0.000 0.564 322 F N 2.238 122.174 119.950 -0.023 0.000 2.763 322 F HA 0.413 4.944 4.527 0.008 0.000 0.309 322 F C 0.469 176.246 175.800 -0.038 0.000 1.267 322 F CA -0.681 57.303 58.000 -0.026 0.000 1.417 322 F CB -0.266 38.722 39.000 -0.019 0.000 1.223 322 F HN -0.073 nan 8.300 nan 0.000 0.539 323 V N 0.394 120.212 119.914 -0.159 0.000 3.578 323 V HA 0.301 4.425 4.120 0.008 0.000 0.290 323 V C 0.355 176.404 176.094 -0.075 0.000 1.376 323 V CA 0.006 62.213 62.300 -0.155 0.000 1.083 323 V CB -0.527 31.154 31.823 -0.238 0.000 0.911 323 V HN 0.416 nan 8.190 nan 0.000 0.433 324 I N 0.239 120.797 120.570 -0.020 0.000 2.649 324 I HA 0.402 4.577 4.170 0.008 0.000 0.289 324 I C -0.343 175.803 176.117 0.048 0.000 1.222 324 I CA 0.081 61.387 61.300 0.010 0.000 1.046 324 I CB 2.568 40.569 38.000 0.002 0.000 1.272 324 I HN -0.067 nan 8.210 nan 0.000 0.425 325 Q N 4.839 124.668 119.800 0.049 0.000 2.063 325 Q HA 0.264 4.608 4.340 0.008 0.000 0.245 325 Q C -1.482 174.536 176.000 0.030 0.000 0.828 325 Q CA -0.218 55.615 55.803 0.051 0.000 1.089 325 Q CB 0.609 29.385 28.738 0.064 0.000 1.232 325 Q HN 0.692 nan 8.270 nan 0.000 0.445 326 D N -2.315 118.101 120.400 0.027 0.000 2.599 326 D HA 0.233 4.878 4.640 0.008 0.000 0.252 326 D C 0.188 176.498 176.300 0.017 0.000 1.232 326 D CA -0.669 53.342 54.000 0.018 0.000 0.819 326 D CB 0.821 41.631 40.800 0.017 0.000 1.401 326 D HN -0.097 nan 8.370 nan 0.000 0.429 327 R N 0.393 120.899 120.500 0.009 0.000 2.096 327 R HA -0.151 4.193 4.340 0.008 0.000 0.240 327 R C 1.651 177.958 176.300 0.012 0.000 1.139 327 R CA 1.939 58.042 56.100 0.006 0.000 0.952 327 R CB -0.173 30.127 30.300 0.001 0.000 0.854 327 R HN 0.612 nan 8.270 nan 0.000 0.436 328 E N -0.568 119.642 120.200 0.016 0.000 2.112 328 E HA -0.078 4.277 4.350 0.008 0.000 0.190 328 E C 1.716 178.335 176.600 0.030 0.000 0.979 328 E CA 1.457 57.869 56.400 0.020 0.000 0.814 328 E CB -0.077 29.634 29.700 0.019 0.000 0.762 328 E HN 0.381 nan 8.360 nan 0.000 0.460 329 T N -1.826 112.749 114.554 0.035 0.000 3.129 329 T HA 0.342 4.696 4.350 0.008 0.000 0.251 329 T C 1.750 176.490 174.700 0.066 0.000 1.117 329 T CA 0.337 62.467 62.100 0.050 0.000 1.034 329 T CB 0.357 69.249 68.868 0.040 0.000 0.968 329 T HN 0.139 nan 8.240 nan 0.000 0.526 330 A N 1.371 124.221 122.820 0.051 0.000 1.930 330 A HA 0.317 4.641 4.320 0.008 0.000 0.215 330 A C 2.048 179.662 177.584 0.050 0.000 1.176 330 A CA 0.715 52.785 52.037 0.055 0.000 0.632 330 A CB -0.569 18.451 19.000 0.033 0.000 0.819 330 A HN 0.457 nan 8.150 nan 0.000 0.445 331 L N -0.046 121.194 121.223 0.027 0.000 2.179 331 L HA -0.062 4.282 4.340 0.008 0.000 0.208 331 L C 2.026 178.914 176.870 0.030 0.000 1.096 331 L CA 1.574 56.419 54.840 0.008 0.000 0.779 331 L CB -0.526 41.533 42.059 0.000 0.000 0.922 331 L HN 0.390 nan 8.230 nan 0.000 0.443 332 D N 0.124 120.561 120.400 0.062 0.000 2.156 332 D HA -0.338 4.307 4.640 0.008 0.000 0.190 332 D C 1.907 178.278 176.300 0.118 0.000 0.998 332 D CA 1.469 55.520 54.000 0.085 0.000 0.842 332 D CB -0.296 40.559 40.800 0.091 0.000 0.974 332 D HN 0.232 nan 8.370 nan 0.000 0.447 333 F N 0.640 120.589 119.950 -0.001 0.000 2.667 333 F HA 0.054 4.586 4.527 0.008 0.000 0.295 333 F C 0.369 176.166 175.800 -0.005 0.000 1.185 333 F CA 0.410 58.409 58.000 -0.003 0.000 1.479 333 F CB -0.329 38.665 39.000 -0.010 0.000 1.116 333 F HN -0.006 nan 8.300 nan 0.000 0.606 334 I N 1.385 121.861 120.570 -0.156 0.000 2.316 334 I HA 0.501 4.675 4.170 0.008 0.000 0.286 334 I C 0.562 176.603 176.117 -0.127 0.000 1.107 334 I CA -0.015 61.147 61.300 -0.231 0.000 1.219 334 I CB -0.265 37.635 38.000 -0.166 0.000 1.455 334 I HN 0.198 nan 8.210 nan 0.000 0.498 346 E N 2.331 122.546 120.200 0.025 0.000 2.533 346 E HA -0.121 4.234 4.350 0.008 0.000 0.201 346 E C 0.991 177.608 176.600 0.029 0.000 1.097 346 E CA 1.220 57.637 56.400 0.028 0.000 0.887 346 E CB -0.082 29.631 29.700 0.022 0.000 0.855 346 E HN 0.350 nan 8.360 nan 0.000 0.540 347 K N 1.500 121.915 120.400 0.025 0.000 2.062 347 K HA -0.116 4.209 4.320 0.008 0.000 0.205 347 K C 2.014 178.639 176.600 0.042 0.000 1.051 347 K CA 1.494 57.793 56.287 0.020 0.000 0.941 347 K CB -0.374 32.126 32.500 0.000 0.000 0.719 347 K HN 0.313 nan 8.250 nan 0.000 0.440 348 R N 0.155 120.692 120.500 0.061 0.000 2.210 348 R HA 0.179 4.523 4.340 0.008 0.000 0.203 348 R C 1.620 177.997 176.300 0.129 0.000 1.010 348 R CA 0.457 56.631 56.100 0.123 0.000 1.008 348 R CB -0.490 29.879 30.300 0.116 0.000 0.923 348 R HN -0.005 nan 8.270 nan 0.000 0.469 349 I N 1.976 122.593 120.570 0.078 0.000 2.286 349 I HA -0.223 3.952 4.170 0.008 0.000 0.248 349 I C 2.447 178.603 176.117 0.065 0.000 1.115 349 I CA 1.412 62.747 61.300 0.058 0.000 1.392 349 I CB -0.411 37.614 38.000 0.041 0.000 1.065 349 I HN 0.164 nan 8.210 nan 0.000 0.418 350 Q N -0.749 119.099 119.800 0.080 0.000 1.993 350 Q HA -0.251 4.093 4.340 0.008 0.000 0.202 350 Q C 2.279 178.366 176.000 0.146 0.000 0.984 350 Q CA 1.645 57.502 55.803 0.090 0.000 0.837 350 Q CB -0.979 27.804 28.738 0.075 0.000 0.902 350 Q HN 0.482 nan 8.270 nan 0.000 0.423 351 Y N 0.958 121.263 120.300 0.008 0.000 2.172 351 Y HA -0.331 4.223 4.550 0.008 0.000 0.280 351 Y C 2.109 178.022 175.900 0.021 0.000 1.209 351 Y CA 1.604 59.710 58.100 0.009 0.000 1.171 351 Y CB -0.649 37.806 38.460 -0.008 0.000 0.965 351 Y HN 0.136 nan 8.280 nan 0.000 0.520 352 A N -0.529 122.308 122.820 0.028 0.000 1.874 352 A HA -0.110 4.214 4.320 0.008 0.000 0.214 352 A C 2.336 179.899 177.584 -0.035 0.000 1.189 352 A CA 1.356 53.350 52.037 -0.071 0.000 0.615 352 A CB -0.599 18.369 19.000 -0.053 0.000 0.830 352 A HN 0.393 nan 8.150 nan 0.000 0.443 353 K N 0.015 120.420 120.400 0.008 0.000 2.280 353 K HA -0.158 4.167 4.320 0.008 0.000 0.202 353 K C 0.957 177.571 176.600 0.024 0.000 1.047 353 K CA 1.540 57.832 56.287 0.007 0.000 0.942 353 K CB -0.105 32.408 32.500 0.022 0.000 0.739 353 K HN 0.668 nan 8.250 nan 0.000 0.457 354 D N 0.361 120.793 120.400 0.054 0.000 2.201 354 D HA -0.106 4.538 4.640 0.008 0.000 0.209 354 D C 1.953 178.303 176.300 0.082 0.000 0.961 354 D CA 0.621 54.668 54.000 0.080 0.000 0.861 354 D CB -0.248 40.623 40.800 0.119 0.000 0.997 354 D HN 0.226 nan 8.370 nan 0.000 0.486 355 I N 1.185 121.792 120.570 0.061 0.000 2.399 355 I HA -0.204 3.970 4.170 0.008 0.000 0.254 355 I C 1.828 177.982 176.117 0.063 0.000 1.146 355 I CA 0.894 62.233 61.300 0.065 0.000 1.412 355 I CB -0.107 37.881 38.000 -0.020 0.000 1.076 355 I HN -0.070 nan 8.210 nan 0.000 0.432 356 L N -0.052 121.161 121.223 -0.017 0.000 2.688 356 L HA 0.069 4.414 4.340 0.008 0.000 0.234 356 L C 1.477 178.349 176.870 0.004 0.000 1.192 356 L CA 0.284 55.058 54.840 -0.111 0.000 0.984 356 L CB -0.171 41.735 42.059 -0.255 0.000 1.232 356 L HN 0.340 nan 8.230 nan 0.000 0.465 357 Q N -1.144 118.702 119.800 0.078 0.000 2.546 357 Q HA 0.125 4.469 4.340 0.008 0.000 0.226 357 Q C 1.346 177.411 176.000 0.108 0.000 0.769 357 Q CA -0.045 55.813 55.803 0.092 0.000 0.954 357 Q CB 0.787 29.569 28.738 0.072 0.000 1.319 357 Q HN 0.179 nan 8.270 nan 0.000 0.534 358 K N 0.021 120.492 120.400 0.118 0.000 2.358 358 K HA 0.117 4.441 4.320 0.008 0.000 0.200 358 K C 0.373 177.064 176.600 0.151 0.000 1.030 358 K CA 0.370 56.730 56.287 0.123 0.000 1.097 358 K CB 0.859 33.441 32.500 0.136 0.000 0.862 358 K HN 0.051 nan 8.250 nan 0.000 0.534 359 E N -0.837 119.453 120.200 0.152 0.000 2.583 359 E HA 0.065 4.419 4.350 0.008 0.000 0.204 359 E C -0.249 176.434 176.600 0.138 0.000 0.860 359 E CA -0.118 56.348 56.400 0.109 0.000 1.473 359 E CB 0.286 30.013 29.700 0.044 0.000 1.469 359 E HN 0.061 nan 8.360 nan 0.000 0.788 360 F N 2.474 122.435 119.950 0.018 0.000 2.410 360 F HA 0.285 4.817 4.527 0.008 0.000 0.348 360 F C 0.316 176.137 175.800 0.034 0.000 1.106 360 F CA -0.925 57.088 58.000 0.022 0.000 1.163 360 F CB 0.557 39.565 39.000 0.013 0.000 1.129 360 F HN -0.147 nan 8.300 nan 0.000 0.516 361 L N 7.237 128.229 121.223 -0.385 0.000 4.046 361 L HA -0.234 4.110 4.340 0.008 0.000 0.501 361 L C -1.963 174.921 176.870 0.024 0.000 1.119 361 L CA 0.153 54.885 54.840 -0.180 0.000 0.674 361 L CB -1.137 40.719 42.059 -0.339 0.000 1.299 361 L HN 0.584 nan 8.230 nan 0.000 0.764 362 P HA -0.119 nan 4.420 nan 0.000 0.221 362 P C 0.594 177.927 177.300 0.055 0.000 1.150 362 P CA 1.240 64.382 63.100 0.070 0.000 0.800 362 P CB -0.053 31.691 31.700 0.073 0.000 0.787 363 H N -0.698 118.305 119.070 -0.111 0.000 2.598 363 H HA 0.124 4.685 4.556 0.008 0.000 0.371 363 H C 1.460 176.662 175.328 -0.210 0.000 1.468 363 H CA -0.248 55.715 56.048 -0.142 0.000 1.454 363 H CB -0.064 29.619 29.762 -0.131 0.000 1.579 363 H HN -0.191 nan 8.280 nan 0.000 0.611 364 I N -2.091 118.156 120.570 -0.538 0.000 4.724 364 I HA -0.367 3.808 4.170 0.008 0.000 0.043 364 I C 0.767 176.643 176.117 -0.402 0.000 0.628 364 I CA 2.248 63.213 61.300 -0.557 0.000 0.705 364 I CB -1.951 35.663 38.000 -0.642 0.000 0.661 364 I HN 0.943 nan 8.210 nan 0.000 0.155 365 T N -0.708 113.668 114.554 -0.297 0.000 2.774 365 T HA 0.294 4.649 4.350 0.008 0.000 0.325 365 T C -0.640 174.000 174.700 -0.100 0.000 1.753 365 T CA -0.029 61.933 62.100 -0.230 0.000 1.024 365 T CB 1.597 70.229 68.868 -0.392 0.000 1.628 365 T HN 0.376 nan 8.240 nan 0.000 0.497 366 Q N 1.970 121.734 119.800 -0.059 0.000 2.155 366 Q HA 0.399 4.744 4.340 0.008 0.000 0.220 366 Q C 0.935 176.948 176.000 0.021 0.000 0.819 366 Q CA -0.229 55.569 55.803 -0.007 0.000 1.032 366 Q CB 0.333 29.056 28.738 -0.024 0.000 1.151 366 Q HN 0.582 nan 8.270 nan 0.000 0.487 367 L N -0.371 120.871 121.223 0.033 0.000 2.044 367 L HA 0.107 4.451 4.340 0.008 0.000 0.218 367 L C 1.656 178.585 176.870 0.099 0.000 1.133 367 L CA 1.017 55.903 54.840 0.076 0.000 1.742 367 L CB -0.084 42.048 42.059 0.122 0.000 1.442 367 L HN 0.266 nan 8.230 nan 0.000 0.839 368 E N -1.195 119.092 120.200 0.145 0.000 3.935 368 E HA 0.024 4.379 4.350 0.008 0.000 0.244 368 E C 1.052 177.734 176.600 0.137 0.000 1.295 368 E CA 0.439 56.906 56.400 0.112 0.000 1.728 368 E CB 0.301 30.047 29.700 0.075 0.000 1.750 368 E HN 0.417 nan 8.360 nan 0.000 0.721 369 G N 1.310 110.182 108.800 0.120 0.000 3.353 369 G HA2 0.314 4.279 3.960 0.008 0.000 0.247 369 G HA3 0.314 4.279 3.960 0.008 0.000 0.247 369 G C -0.813 173.985 174.900 -0.170 0.000 1.025 369 G CA 0.075 45.165 45.100 -0.017 0.000 1.863 369 G HN 0.032 nan 8.290 nan 0.000 0.635 370 F N -0.561 119.399 119.950 0.017 0.000 2.949 370 F HA 0.347 4.878 4.527 0.008 0.000 0.376 370 F C 0.516 176.338 175.800 0.036 0.000 1.205 370 F CA -0.685 57.329 58.000 0.024 0.000 1.155 370 F CB 2.153 41.160 39.000 0.012 0.000 1.495 370 F HN 0.127 nan 8.300 nan 0.000 0.551 371 E N -0.175 120.113 120.200 0.146 0.000 2.490 371 E HA 0.014 4.368 4.350 0.008 0.000 0.209 371 E C 1.848 178.531 176.600 0.139 0.000 0.971 371 E CA 0.528 56.998 56.400 0.115 0.000 0.988 371 E CB 0.531 30.259 29.700 0.048 0.000 1.029 371 E HN 0.410 nan 8.360 nan 0.000 0.496 372 S N -0.491 115.312 115.700 0.172 0.000 2.517 372 S HA 0.141 4.615 4.470 0.008 0.000 0.214 372 S C 1.766 176.581 174.600 0.360 0.000 0.991 372 S CA -0.293 58.052 58.200 0.241 0.000 0.906 372 S CB 0.212 63.554 63.200 0.237 0.000 0.789 372 S HN -0.012 nan 8.310 nan 0.000 0.513 373 R N 2.057 122.742 120.500 0.309 0.000 2.062 373 R HA 0.110 4.454 4.340 0.008 0.000 0.231 373 R C 1.976 178.457 176.300 0.302 0.000 1.136 373 R CA 1.438 57.696 56.100 0.263 0.000 0.948 373 R CB -0.526 29.902 30.300 0.213 0.000 0.845 373 R HN 0.477 nan 8.270 nan 0.000 0.430 374 K N 0.129 120.702 120.400 0.289 0.000 2.362 374 K HA 0.009 4.333 4.320 0.008 0.000 0.200 374 K C 1.960 178.868 176.600 0.514 0.000 1.046 374 K CA 0.892 57.408 56.287 0.382 0.000 0.952 374 K CB 0.061 32.798 32.500 0.395 0.000 0.753 374 K HN 0.132 nan 8.250 nan 0.000 0.466 375 A N 0.943 124.042 122.820 0.466 0.000 1.835 375 A HA -0.051 4.274 4.320 0.008 0.000 0.213 375 A C 1.836 179.895 177.584 0.793 0.000 1.210 375 A CA 0.801 53.200 52.037 0.603 0.000 0.605 375 A CB -0.883 18.287 19.000 0.282 0.000 0.860 375 A HN 0.191 nan 8.150 nan 0.000 0.447 376 F N -1.371 118.993 119.950 0.690 0.000 2.141 376 F HA -0.279 4.252 4.527 0.008 0.000 0.300 376 F C 2.090 178.384 175.800 0.824 0.000 1.079 376 F CA 1.900 60.234 58.000 0.557 0.000 1.264 376 F CB -0.299 38.684 39.000 -0.028 0.000 1.011 376 F HN 0.349 nan 8.300 nan 0.000 0.487 377 F N -0.186 120.231 119.950 0.780 0.000 2.074 377 F HA -0.168 4.364 4.527 0.008 0.000 0.293 377 F C 2.212 178.365 175.800 0.588 0.000 1.116 377 F CA 1.097 59.513 58.000 0.695 0.000 1.212 377 F CB -0.618 38.639 39.000 0.429 0.000 0.998 377 F HN -0.147 nan 8.300 nan 0.000 0.471 378 L N 0.447 122.103 121.223 0.722 0.000 2.189 378 L HA -0.112 4.233 4.340 0.008 0.000 0.214 378 L C 2.134 179.263 176.870 0.431 0.000 1.097 378 L CA 2.207 57.316 54.840 0.448 0.000 0.764 378 L CB -1.310 40.904 42.059 0.259 0.000 0.900 378 L HN 0.204 nan 8.230 nan 0.000 0.436 379 G N -2.362 106.870 108.800 0.720 0.000 2.494 379 G HA2 -0.276 3.689 3.960 0.008 0.000 0.216 379 G HA3 -0.276 3.689 3.960 0.008 0.000 0.216 379 G C 1.430 176.628 174.900 0.497 0.000 1.140 379 G CA 0.549 46.066 45.100 0.696 0.000 0.801 379 G HN 0.528 nan 8.290 nan 0.000 0.536 380 Y N 0.818 121.383 120.300 0.440 0.000 2.263 380 Y HA 0.139 4.694 4.550 0.008 0.000 0.292 380 Y C 2.749 178.660 175.900 0.018 0.000 1.130 380 Y CA 1.168 59.407 58.100 0.231 0.000 1.179 380 Y CB -0.026 38.425 38.460 -0.015 0.000 0.998 380 Y HN 0.094 nan 8.280 nan 0.000 0.532 381 M N -0.643 118.957 119.600 -0.000 0.000 2.086 381 M HA -0.247 4.238 4.480 0.008 0.000 0.261 381 M C 1.855 178.110 176.300 -0.076 0.000 1.067 381 M CA 1.438 56.695 55.300 -0.071 0.000 1.116 381 M CB -0.356 32.277 32.600 0.055 0.000 1.348 381 M HN 0.256 nan 8.290 nan 0.000 0.407 382 I N 0.377 120.960 120.570 0.022 0.000 2.163 382 I HA -0.307 3.868 4.170 0.008 0.000 0.243 382 I C 2.076 178.157 176.117 -0.060 0.000 1.085 382 I CA 1.727 63.036 61.300 0.015 0.000 1.347 382 I CB -1.981 36.080 38.000 0.101 0.000 1.044 382 I HN 0.409 nan 8.210 nan 0.000 0.408 383 N N 0.802 119.449 118.700 -0.090 0.000 2.192 383 N HA -0.220 4.525 4.740 0.008 0.000 0.188 383 N C 1.889 177.273 175.510 -0.210 0.000 1.013 383 N CA 1.315 54.276 53.050 -0.148 0.000 0.863 383 N CB 0.106 38.520 38.487 -0.120 0.000 0.990 383 N HN 0.069 nan 8.380 nan 0.000 0.430 384 R N 0.445 120.751 120.500 -0.324 0.000 2.056 384 R HA 0.012 4.357 4.340 0.008 0.000 0.227 384 R C 2.105 178.302 176.300 -0.172 0.000 1.149 384 R CA 0.724 56.648 56.100 -0.294 0.000 0.937 384 R CB -1.552 28.522 30.300 -0.376 0.000 0.835 384 R HN 0.322 nan 8.270 nan 0.000 0.430 385 L N 0.883 122.025 121.223 -0.136 0.000 2.026 385 L HA -0.259 4.086 4.340 0.008 0.000 0.231 385 L C 2.108 178.916 176.870 -0.103 0.000 1.095 385 L CA 1.937 56.729 54.840 -0.080 0.000 0.810 385 L CB -0.579 41.455 42.059 -0.041 0.000 0.909 385 L HN 0.182 nan 8.230 nan 0.000 0.444 386 L N -1.549 119.608 121.223 -0.109 0.000 2.217 386 L HA -0.150 4.195 4.340 0.008 0.000 0.211 386 L C 2.156 178.944 176.870 -0.135 0.000 1.107 386 L CA 0.112 54.875 54.840 -0.129 0.000 0.783 386 L CB -0.494 41.505 42.059 -0.101 0.000 0.919 386 L HN 0.329 nan 8.230 nan 0.000 0.442 387 L N -0.864 120.287 121.223 -0.120 0.000 2.642 387 L HA -0.191 4.154 4.340 0.008 0.000 0.236 387 L C 1.985 178.801 176.870 -0.090 0.000 1.169 387 L CA 1.292 56.070 54.840 -0.102 0.000 0.851 387 L CB -0.696 41.304 42.059 -0.100 0.000 0.968 387 L HN 0.377 nan 8.230 nan 0.000 0.453 388 C N -2.394 116.844 119.300 -0.103 0.000 2.378 388 C HA 0.369 4.833 4.460 0.008 0.000 0.389 388 C C 2.780 177.689 174.990 -0.136 0.000 1.394 388 C CA 0.343 59.322 59.018 -0.064 0.000 2.275 388 C CB -0.616 27.129 27.740 0.009 0.000 2.567 388 C HN 0.506 nan 8.230 nan 0.000 0.556 389 A N 0.679 123.279 122.820 -0.368 0.000 2.131 389 A HA 0.025 4.349 4.320 0.008 0.000 0.220 389 A C 1.856 179.287 177.584 -0.256 0.000 1.158 389 A CA 1.387 53.053 52.037 -0.619 0.000 0.665 389 A CB -0.628 17.931 19.000 -0.735 0.000 0.795 389 A HN 0.702 nan 8.150 nan 0.000 0.460 390 L N -1.668 119.451 121.223 -0.174 0.000 2.558 390 L HA 0.061 4.405 4.340 0.008 0.000 0.225 390 L C 0.089 176.912 176.870 -0.078 0.000 1.128 390 L CA 0.383 55.149 54.840 -0.124 0.000 0.868 390 L CB -0.215 41.763 42.059 -0.136 0.000 1.006 390 L HN 0.331 nan 8.230 nan 0.000 0.454 391 D N -0.743 119.624 120.400 -0.055 0.000 2.870 391 D HA -0.203 4.442 4.640 0.008 0.000 0.228 391 D C 1.360 177.647 176.300 -0.021 0.000 1.147 391 D CA 0.478 54.468 54.000 -0.016 0.000 0.757 391 D CB -0.435 40.365 40.800 -0.001 0.000 1.091 391 D HN 0.202 nan 8.370 nan 0.000 0.429 392 R N -0.712 119.766 120.500 -0.036 0.000 2.173 392 R HA 0.142 4.486 4.340 0.008 0.000 0.208 392 R C 0.546 176.834 176.300 -0.019 0.000 1.035 392 R CA 0.612 56.694 56.100 -0.030 0.000 1.004 392 R CB 0.334 30.608 30.300 -0.043 0.000 0.917 392 R HN -0.064 nan 8.270 nan 0.000 0.462 393 K N -0.032 120.357 120.400 -0.018 0.000 2.477 393 K HA 0.187 4.512 4.320 0.008 0.000 0.255 393 K C -1.184 175.419 176.600 0.007 0.000 0.952 393 K CA -0.637 55.644 56.287 -0.010 0.000 0.826 393 K CB 1.708 34.194 32.500 -0.023 0.000 1.331 393 K HN -0.173 nan 8.250 nan 0.000 0.437 394 D N 1.094 121.503 120.400 0.015 0.000 2.349 394 D HA -0.031 4.614 4.640 0.008 0.000 0.239 394 D C 0.208 176.534 176.300 0.042 0.000 1.315 394 D CA 0.142 54.161 54.000 0.033 0.000 0.937 394 D CB 0.654 41.475 40.800 0.035 0.000 1.133 394 D HN 0.406 nan 8.370 nan 0.000 0.489 395 Q N -0.319 119.520 119.800 0.065 0.000 2.527 395 Q HA 0.035 4.379 4.340 0.008 0.000 0.189 395 Q C -0.669 175.379 176.000 0.080 0.000 1.116 395 Q CA -0.069 55.788 55.803 0.090 0.000 1.169 395 Q CB 0.570 29.379 28.738 0.119 0.000 1.211 395 Q HN 0.313 nan 8.270 nan 0.000 0.649 396 D N 1.230 121.710 120.400 0.133 0.000 2.303 396 D HA 0.087 4.731 4.640 0.008 0.000 0.236 396 D C -1.261 175.204 176.300 0.275 0.000 1.068 396 D CA -0.256 53.817 54.000 0.123 0.000 0.830 396 D CB 1.089 41.830 40.800 -0.098 0.000 1.109 396 D HN 0.384 nan 8.370 nan 0.000 0.496 397 D N 2.105 122.600 120.400 0.159 0.000 2.342 397 D HA 0.024 4.669 4.640 0.008 0.000 0.260 397 D C 0.998 177.374 176.300 0.127 0.000 1.278 397 D CA 0.062 54.145 54.000 0.137 0.000 0.910 397 D CB 0.503 41.389 40.800 0.145 0.000 1.079 397 D HN 0.277 nan 8.370 nan 0.000 0.496 398 R N 1.816 122.375 120.500 0.098 0.000 2.299 398 R HA 0.063 4.408 4.340 0.008 0.000 0.197 398 R C -0.028 176.281 176.300 0.014 0.000 0.971 398 R CA 0.461 56.608 56.100 0.078 0.000 1.030 398 R CB 0.511 30.798 30.300 -0.021 0.000 0.932 398 R HN 0.255 nan 8.270 nan 0.000 0.477 399 D N -0.102 120.256 120.400 -0.069 0.000 2.788 399 D HA 0.023 4.668 4.640 0.008 0.000 0.289 399 D C -0.564 175.453 176.300 -0.472 0.000 1.340 399 D CA -0.118 53.777 54.000 -0.175 0.000 0.831 399 D CB 0.151 40.848 40.800 -0.172 0.000 1.103 399 D HN 0.162 nan 8.370 nan 0.000 0.476 400 H N 0.457 119.335 119.070 -0.322 0.000 2.580 400 H HA 0.050 4.611 4.556 0.008 0.000 0.322 400 H C 0.101 175.418 175.328 -0.019 0.000 1.082 400 H CA -0.324 55.580 56.048 -0.240 0.000 1.383 400 H CB 1.037 30.749 29.762 -0.084 0.000 1.450 400 H HN -0.057 nan 8.280 nan 0.000 0.505 401 F N 3.464 123.298 119.950 -0.193 0.000 2.293 401 F HA 0.062 4.593 4.527 0.008 0.000 0.297 401 F C 2.333 178.190 175.800 0.096 0.000 1.089 401 F CA 1.312 59.301 58.000 -0.020 0.000 1.377 401 F CB -0.353 38.650 39.000 0.006 0.000 1.051 401 F HN 0.740 nan 8.300 nan 0.000 0.511 402 G N -0.413 108.571 108.800 0.306 0.000 2.708 402 G HA2 -0.180 3.784 3.960 0.008 0.000 0.210 402 G HA3 -0.180 3.784 3.960 0.008 0.000 0.210 402 G C 1.282 176.131 174.900 -0.086 0.000 1.141 402 G CA 0.287 45.447 45.100 0.101 0.000 0.788 402 G HN 0.292 nan 8.290 nan 0.000 0.531 403 K N 0.008 120.389 120.400 -0.032 0.000 2.646 403 K HA 0.170 4.494 4.320 0.008 0.000 0.206 403 K C -0.189 176.360 176.600 -0.086 0.000 1.069 403 K CA -0.078 56.153 56.287 -0.094 0.000 1.067 403 K CB 0.580 33.043 32.500 -0.062 0.000 0.807 403 K HN 0.337 nan 8.250 nan 0.000 0.482 404 K N 0.499 120.799 120.400 -0.167 0.000 2.480 404 K HA 0.514 4.839 4.320 0.008 0.000 0.258 404 K C -0.526 175.927 176.600 -0.246 0.000 0.990 404 K CA -1.246 54.941 56.287 -0.167 0.000 0.857 404 K CB 1.844 34.263 32.500 -0.134 0.000 1.384 404 K HN -0.214 nan 8.250 nan 0.000 0.446 405 R N 0.946 121.349 120.500 -0.162 0.000 2.854 405 R HA 0.522 4.866 4.340 0.008 0.000 0.271 405 R C -0.795 175.443 176.300 -0.104 0.000 0.994 405 R CA -0.934 55.079 56.100 -0.145 0.000 0.945 405 R CB 1.189 31.445 30.300 -0.073 0.000 1.194 405 R HN 0.570 nan 8.270 nan 0.000 0.476 406 L N 1.328 122.504 121.223 -0.079 0.000 2.307 406 L HA 0.364 4.709 4.340 0.008 0.000 0.284 406 L C -0.230 176.637 176.870 -0.006 0.000 1.023 406 L CA -0.718 54.105 54.840 -0.027 0.000 0.810 406 L CB 1.359 43.415 42.059 -0.004 0.000 1.231 406 L HN 0.276 nan 8.230 nan 0.000 0.423 407 D N 3.841 124.239 120.400 -0.003 0.000 2.500 407 D HA 0.242 4.887 4.640 0.008 0.000 0.219 407 D C 0.283 176.581 176.300 -0.004 0.000 1.137 407 D CA -0.262 53.743 54.000 0.007 0.000 0.946 407 D CB 0.852 41.663 40.800 0.017 0.000 1.022 407 D HN 0.179 nan 8.370 nan 0.000 0.518 408 L N 1.109 122.342 121.223 0.016 0.000 2.435 408 L HA 0.020 4.365 4.340 0.008 0.000 0.258 408 L C 1.965 178.851 176.870 0.026 0.000 1.257 408 L CA 0.275 55.129 54.840 0.022 0.000 0.823 408 L CB -0.046 42.045 42.059 0.052 0.000 1.111 408 L HN 0.309 nan 8.230 nan 0.000 0.543 409 A N 1.270 124.125 122.820 0.060 0.000 1.978 409 A HA -0.109 4.216 4.320 0.008 0.000 0.220 409 A C 1.949 179.604 177.584 0.118 0.000 1.170 409 A CA 1.678 53.776 52.037 0.101 0.000 0.636 409 A CB -0.910 18.238 19.000 0.247 0.000 0.810 409 A HN 0.926 nan 8.150 nan 0.000 0.448 410 G N 0.141 109.012 108.800 0.118 0.000 2.705 410 G HA2 -0.110 3.854 3.960 0.008 0.000 0.214 410 G HA3 -0.110 3.854 3.960 0.008 0.000 0.214 410 G C -0.510 174.339 174.900 -0.083 0.000 1.321 410 G CA 1.130 46.245 45.100 0.025 0.000 0.826 410 G HN 0.445 nan 8.290 nan 0.000 0.595 411 P HA -0.006 nan 4.420 nan 0.000 0.227 411 P C 1.774 179.130 177.300 0.092 0.000 1.145 411 P CA 0.513 63.651 63.100 0.065 0.000 0.769 411 P CB -0.037 31.712 31.700 0.080 0.000 0.769 412 L N -1.435 119.857 121.223 0.114 0.000 1.950 412 L HA -0.145 4.199 4.340 0.008 0.000 0.210 412 L C 2.387 179.482 176.870 0.376 0.000 1.079 412 L CA 1.440 56.485 54.840 0.342 0.000 0.754 412 L CB -1.311 40.869 42.059 0.202 0.000 0.889 412 L HN -0.051 nan 8.230 nan 0.000 0.433 413 L N 0.124 121.480 121.223 0.221 0.000 2.054 413 L HA -0.341 4.003 4.340 0.008 0.000 0.220 413 L C 2.880 179.628 176.870 -0.204 0.000 1.081 413 L CA 1.623 56.391 54.840 -0.119 0.000 0.780 413 L CB -0.890 40.813 42.059 -0.593 0.000 0.893 413 L HN 0.374 nan 8.230 nan 0.000 0.438 414 A N 0.068 122.724 122.820 -0.272 0.000 1.873 414 A HA -0.321 4.003 4.320 0.008 0.000 0.218 414 A C 2.279 179.960 177.584 0.161 0.000 1.193 414 A CA 2.230 54.325 52.037 0.096 0.000 0.629 414 A CB -0.795 18.321 19.000 0.192 0.000 0.826 414 A HN 0.669 nan 8.150 nan 0.000 0.447 415 Q N -0.958 118.907 119.800 0.108 0.000 2.224 415 Q HA -0.069 4.275 4.340 0.008 0.000 0.203 415 Q C 1.919 177.917 176.000 -0.002 0.000 0.970 415 Q CA 1.535 57.389 55.803 0.085 0.000 0.865 415 Q CB -0.310 28.491 28.738 0.104 0.000 0.922 415 Q HN 0.514 nan 8.270 nan 0.000 0.445 416 L N -0.118 121.044 121.223 -0.101 0.000 2.044 416 L HA -0.014 4.330 4.340 0.008 0.000 0.205 416 L C 2.216 179.036 176.870 -0.083 0.000 1.075 416 L CA 1.274 55.960 54.840 -0.257 0.000 0.747 416 L CB -0.424 41.286 42.059 -0.581 0.000 0.903 416 L HN 0.272 nan 8.230 nan 0.000 0.435 417 F N 0.410 120.307 119.950 -0.087 0.000 2.069 417 F HA -0.296 4.236 4.527 0.008 0.000 0.298 417 F C 2.458 178.299 175.800 0.068 0.000 1.113 417 F CA 1.838 59.848 58.000 0.017 0.000 1.214 417 F CB -0.231 38.851 39.000 0.136 0.000 0.978 417 F HN -0.052 nan 8.300 nan 0.000 0.474 418 K N -0.435 120.125 120.400 0.267 0.000 1.998 418 K HA -0.293 4.032 4.320 0.008 0.000 0.228 418 K C 1.897 178.539 176.600 0.069 0.000 1.053 418 K CA 2.989 59.388 56.287 0.187 0.000 0.988 418 K CB -1.000 31.597 32.500 0.162 0.000 0.735 418 K HN 0.303 nan 8.250 nan 0.000 0.448 419 T N 2.054 116.612 114.554 0.007 0.000 2.699 419 T HA -0.190 4.165 4.350 0.008 0.000 0.268 419 T C 1.967 176.603 174.700 -0.106 0.000 1.036 419 T CA 1.486 63.556 62.100 -0.050 0.000 1.147 419 T CB -0.261 68.557 68.868 -0.083 0.000 0.862 419 T HN 0.150 nan 8.240 nan 0.000 0.446 420 L N -0.547 120.578 121.223 -0.163 0.000 2.027 420 L HA -0.001 4.344 4.340 0.008 0.000 0.206 420 L C 2.315 179.046 176.870 -0.232 0.000 1.074 420 L CA 1.219 55.927 54.840 -0.221 0.000 0.745 420 L CB -0.499 41.394 42.059 -0.278 0.000 0.898 420 L HN 0.154 nan 8.230 nan 0.000 0.433 421 F N 1.176 120.831 119.950 -0.491 0.000 2.065 421 F HA -0.299 4.232 4.527 0.008 0.000 0.298 421 F C 2.482 178.129 175.800 -0.256 0.000 1.112 421 F CA 1.749 59.468 58.000 -0.468 0.000 1.212 421 F CB -0.299 38.417 39.000 -0.474 0.000 0.975 421 F HN -0.101 nan 8.300 nan 0.000 0.476 422 K N 0.029 120.292 120.400 -0.228 0.000 2.280 422 K HA -0.221 4.104 4.320 0.008 0.000 0.202 422 K C 2.093 178.568 176.600 -0.210 0.000 1.047 422 K CA 1.262 57.406 56.287 -0.238 0.000 0.942 422 K CB -0.218 32.241 32.500 -0.067 0.000 0.739 422 K HN 0.297 nan 8.250 nan 0.000 0.457 423 K N 1.573 121.856 120.400 -0.193 0.000 2.148 423 K HA -0.120 4.204 4.320 0.008 0.000 0.204 423 K C 2.089 178.585 176.600 -0.174 0.000 1.050 423 K CA 0.791 56.984 56.287 -0.157 0.000 0.942 423 K CB 0.042 32.456 32.500 -0.142 0.000 0.724 423 K HN 0.160 nan 8.250 nan 0.000 0.446 424 L N -1.367 119.703 121.223 -0.256 0.000 2.249 424 L HA 0.124 4.469 4.340 0.008 0.000 0.207 424 L C 2.119 178.828 176.870 -0.269 0.000 1.090 424 L CA 1.226 55.917 54.840 -0.248 0.000 0.802 424 L CB -0.748 41.146 42.059 -0.275 0.000 0.947 424 L HN -0.053 nan 8.230 nan 0.000 0.453 425 T N 0.685 114.980 114.554 -0.432 0.000 2.803 425 T HA -0.187 4.168 4.350 0.008 0.000 0.269 425 T C 1.597 176.271 174.700 -0.043 0.000 1.052 425 T CA 1.994 63.899 62.100 -0.325 0.000 1.136 425 T CB -0.166 68.409 68.868 -0.489 0.000 0.864 425 T HN 0.674 nan 8.240 nan 0.000 0.467 426 K N -0.516 119.860 120.400 -0.041 0.000 2.372 426 K HA 0.188 4.513 4.320 0.008 0.000 0.200 426 K C 1.260 177.893 176.600 0.055 0.000 1.022 426 K CA 0.196 56.520 56.287 0.063 0.000 1.125 426 K CB 0.390 32.886 32.500 -0.007 0.000 0.855 426 K HN 0.073 nan 8.250 nan 0.000 0.524 427 D N 0.910 121.320 120.400 0.016 0.000 2.271 427 D HA 0.020 4.665 4.640 0.008 0.000 0.206 427 D C 1.597 177.960 176.300 0.105 0.000 0.967 427 D CA 0.466 54.491 54.000 0.042 0.000 0.867 427 D CB 0.363 41.157 40.800 -0.009 0.000 0.960 427 D HN 0.182 nan 8.370 nan 0.000 0.509 428 I N 0.565 121.190 120.570 0.092 0.000 2.202 428 I HA -0.204 3.970 4.170 0.008 0.000 0.242 428 I C 2.282 178.497 176.117 0.164 0.000 1.091 428 I CA 0.754 62.119 61.300 0.108 0.000 1.368 428 I CB -1.317 36.732 38.000 0.080 0.000 1.058 428 I HN -0.027 nan 8.210 nan 0.000 0.410 429 F N 1.609 121.585 119.950 0.043 0.000 2.045 429 F HA -0.350 4.182 4.527 0.008 0.000 0.297 429 F C 2.924 178.751 175.800 0.046 0.000 1.114 429 F CA 2.076 60.096 58.000 0.034 0.000 1.207 429 F CB -0.264 38.743 39.000 0.012 0.000 0.964 429 F HN -0.002 nan 8.300 nan 0.000 0.486 430 R N -1.583 119.094 120.500 0.295 0.000 2.105 430 R HA -0.243 4.102 4.340 0.008 0.000 0.239 430 R C 2.088 178.480 176.300 0.152 0.000 1.135 430 R CA 1.794 57.999 56.100 0.176 0.000 0.967 430 R CB -0.672 29.698 30.300 0.116 0.000 0.861 430 R HN 0.415 nan 8.270 nan 0.000 0.442 431 Y N 0.080 120.413 120.300 0.055 0.000 2.373 431 Y HA -0.104 4.450 4.550 0.008 0.000 0.293 431 Y C 1.997 177.909 175.900 0.021 0.000 1.129 431 Y CA 1.370 59.487 58.100 0.028 0.000 1.226 431 Y CB 0.142 38.613 38.460 0.018 0.000 1.000 431 Y HN -0.041 nan 8.280 nan 0.000 0.549 432 M N -0.632 119.062 119.600 0.157 0.000 2.349 432 M HA -0.158 4.327 4.480 0.008 0.000 0.266 432 M C 1.932 178.247 176.300 0.024 0.000 1.076 432 M CA 1.366 56.706 55.300 0.066 0.000 1.126 432 M CB 0.079 32.687 32.600 0.014 0.000 1.392 432 M HN 0.219 nan 8.290 nan 0.000 0.440 433 Q N -0.410 119.424 119.800 0.056 0.000 2.137 433 Q HA -0.032 4.312 4.340 0.008 0.000 0.198 433 Q C 1.374 177.371 176.000 -0.006 0.000 0.960 433 Q CA 0.915 56.747 55.803 0.048 0.000 0.847 433 Q CB 0.090 28.884 28.738 0.094 0.000 0.915 433 Q HN 0.413 nan 8.270 nan 0.000 0.448 434 R N -0.167 120.304 120.500 -0.048 0.000 2.356 434 R HA 0.093 4.438 4.340 0.008 0.000 0.234 434 R C 0.880 177.096 176.300 -0.139 0.000 0.929 434 R CA 0.413 56.461 56.100 -0.088 0.000 1.084 434 R CB 0.482 30.723 30.300 -0.098 0.000 1.105 434 R HN 0.146 nan 8.270 nan 0.000 0.515 435 T N -0.764 113.712 114.554 -0.130 0.000 3.034 435 T HA -0.028 4.327 4.350 0.008 0.000 0.248 435 T C 1.700 176.363 174.700 -0.061 0.000 1.040 435 T CA 0.769 62.797 62.100 -0.120 0.000 1.107 435 T CB 0.292 69.088 68.868 -0.120 0.000 0.932 435 T HN 0.174 nan 8.240 nan 0.000 0.474 436 V N -0.605 119.285 119.914 -0.041 0.000 0.505 436 V HA -0.448 3.677 4.120 0.008 0.000 0.089 436 V C 0.583 176.666 176.094 -0.018 0.000 2.488 436 V CA 2.104 64.391 62.300 -0.022 0.000 3.667 436 V CB -2.118 29.695 31.823 -0.017 0.000 0.998 436 V HN 0.589 nan 8.190 nan 0.000 1.018 447 A N 3.616 126.045 122.820 -0.652 0.000 2.640 447 A HA -0.204 4.120 4.320 0.008 0.000 0.233 447 A C 0.592 177.850 177.584 -0.543 0.000 0.621 447 A CA 1.243 52.531 52.037 -1.249 0.000 1.214 447 A CB -1.932 16.369 19.000 -1.165 0.000 1.351 447 A HN 0.705 nan 8.150 nan 0.000 0.694 448 I N 1.511 121.892 120.570 -0.316 0.000 2.821 448 I HA 0.071 4.245 4.170 0.008 0.000 0.294 448 I C 0.671 176.685 176.117 -0.172 0.000 1.210 448 I CA 0.717 61.890 61.300 -0.211 0.000 1.430 448 I CB -0.356 37.531 38.000 -0.188 0.000 1.356 448 I HN 0.530 nan 8.210 nan 0.000 0.563 449 N N 5.538 124.148 118.700 -0.149 0.000 3.194 449 N HA 0.359 5.104 4.740 0.008 0.000 0.271 449 N C 0.851 176.271 175.510 -0.150 0.000 1.308 449 N CA -0.016 52.967 53.050 -0.112 0.000 1.042 449 N CB 0.759 39.205 38.487 -0.070 0.000 1.310 449 N HN 0.648 nan 8.380 nan 0.000 0.502 450 A N 2.850 125.543 122.820 -0.212 0.000 1.881 450 A HA -0.292 4.032 4.320 0.008 0.000 0.219 450 A C 2.057 179.522 177.584 -0.199 0.000 1.215 450 A CA 2.109 53.957 52.037 -0.315 0.000 0.648 450 A CB -0.760 17.922 19.000 -0.530 0.000 0.832 450 A HN 0.725 nan 8.150 nan 0.000 0.455 451 K N -1.133 119.196 120.400 -0.117 0.000 2.148 451 K HA -0.296 4.028 4.320 0.008 0.000 0.213 451 K C 1.832 178.394 176.600 -0.064 0.000 1.050 451 K CA 2.407 58.661 56.287 -0.055 0.000 0.932 451 K CB -0.914 31.575 32.500 -0.017 0.000 0.717 451 K HN 0.460 nan 8.250 nan 0.000 0.462 452 T N 1.613 116.115 114.554 -0.087 0.000 2.620 452 T HA -0.216 4.139 4.350 0.008 0.000 0.267 452 T C 1.886 176.521 174.700 -0.108 0.000 1.044 452 T CA 2.036 64.080 62.100 -0.094 0.000 1.161 452 T CB -0.195 68.603 68.868 -0.118 0.000 0.862 452 T HN 0.288 nan 8.240 nan 0.000 0.438 453 I N 0.358 120.849 120.570 -0.132 0.000 2.235 453 I HA -0.146 4.028 4.170 0.008 0.000 0.241 453 I C 2.755 178.842 176.117 -0.049 0.000 1.085 453 I CA 1.133 62.359 61.300 -0.124 0.000 1.378 453 I CB -0.667 37.238 38.000 -0.159 0.000 1.076 453 I HN 0.273 nan 8.210 nan 0.000 0.415 454 T N 0.671 115.202 114.554 -0.038 0.000 2.580 454 T HA -0.228 4.127 4.350 0.008 0.000 0.265 454 T C 1.923 176.645 174.700 0.036 0.000 1.063 454 T CA 2.287 64.400 62.100 0.023 0.000 1.170 454 T CB -0.472 68.419 68.868 0.037 0.000 0.863 454 T HN 0.497 nan 8.240 nan 0.000 0.418 455 S N 0.850 116.565 115.700 0.025 0.000 2.515 455 S HA 0.095 4.569 4.470 0.008 0.000 0.231 455 S C 2.157 176.796 174.600 0.064 0.000 0.987 455 S CA 0.974 59.205 58.200 0.050 0.000 0.936 455 S CB -0.532 62.698 63.200 0.050 0.000 0.766 455 S HN 0.540 nan 8.310 nan 0.000 0.528 456 G N 1.313 110.118 108.800 0.009 0.000 2.492 456 G HA2 0.180 4.145 3.960 0.008 0.000 0.214 456 G HA3 0.180 4.145 3.960 0.008 0.000 0.214 456 G C 1.316 176.197 174.900 -0.032 0.000 1.147 456 G CA 0.200 45.280 45.100 -0.033 0.000 0.809 456 G HN 0.503 nan 8.290 nan 0.000 0.533 457 L N -0.281 120.939 121.223 -0.005 0.000 2.313 457 L HA 0.149 4.494 4.340 0.008 0.000 0.214 457 L C 2.783 179.684 176.870 0.052 0.000 1.119 457 L CA 0.582 55.425 54.840 0.004 0.000 0.809 457 L CB 0.011 42.112 42.059 0.070 0.000 0.933 457 L HN 0.132 nan 8.230 nan 0.000 0.449 458 K N -0.899 119.549 120.400 0.081 0.000 2.021 458 K HA -0.169 4.155 4.320 0.008 0.000 0.205 458 K C 2.039 178.716 176.600 0.129 0.000 1.047 458 K CA 1.245 57.590 56.287 0.097 0.000 0.943 458 K CB -0.287 32.263 32.500 0.083 0.000 0.725 458 K HN 0.124 nan 8.250 nan 0.000 0.439 459 Y N 1.530 121.834 120.300 0.007 0.000 2.069 459 Y HA -0.396 4.159 4.550 0.008 0.000 0.278 459 Y C 2.211 178.130 175.900 0.033 0.000 1.175 459 Y CA 1.827 59.934 58.100 0.011 0.000 1.134 459 Y CB -0.102 38.351 38.460 -0.012 0.000 0.965 459 Y HN 0.112 nan 8.280 nan 0.000 0.498 460 A N -0.314 122.721 122.820 0.358 0.000 1.854 460 A HA -0.160 4.165 4.320 0.008 0.000 0.214 460 A C 1.962 179.776 177.584 0.384 0.000 1.192 460 A CA 1.514 53.736 52.037 0.308 0.000 0.611 460 A CB -1.119 17.823 19.000 -0.096 0.000 0.832 460 A HN 0.465 nan 8.150 nan 0.000 0.442 461 L N -0.410 120.992 121.223 0.298 0.000 2.450 461 L HA -0.025 4.320 4.340 0.008 0.000 0.224 461 L C 2.521 179.475 176.870 0.141 0.000 1.149 461 L CA 1.390 56.372 54.840 0.237 0.000 0.816 461 L CB -0.658 41.446 42.059 0.075 0.000 0.932 461 L HN 0.409 nan 8.230 nan 0.000 0.449 462 A N -2.264 120.631 122.820 0.125 0.000 1.943 462 A HA -0.010 4.315 4.320 0.008 0.000 0.213 462 A C 2.045 179.650 177.584 0.036 0.000 1.181 462 A CA 1.551 53.621 52.037 0.055 0.000 0.653 462 A CB -0.371 18.625 19.000 -0.008 0.000 0.833 462 A HN 0.457 nan 8.150 nan 0.000 0.451 463 T N -3.659 110.935 114.554 0.066 0.000 3.348 463 T HA 0.480 4.835 4.350 0.008 0.000 0.233 463 T C 1.387 176.151 174.700 0.105 0.000 0.960 463 T CA 0.970 63.104 62.100 0.056 0.000 1.343 463 T CB -0.048 68.844 68.868 0.041 0.000 1.068 463 T HN 1.327 nan 8.240 nan 0.000 0.410 464 G N 1.182 110.093 108.800 0.186 0.000 2.507 464 G HA2 -0.114 3.851 3.960 0.008 0.000 0.205 464 G HA3 -0.114 3.851 3.960 0.008 0.000 0.205 464 G C 0.151 175.186 174.900 0.226 0.000 0.996 464 G CA -0.417 44.784 45.100 0.167 0.000 0.776 464 G HN 0.335 nan 8.290 nan 0.000 0.532 465 N N 0.935 119.808 118.700 0.289 0.000 2.410 465 N HA 0.040 4.784 4.740 0.008 0.000 0.231 465 N C 0.423 176.090 175.510 0.261 0.000 1.172 465 N CA -0.425 52.787 53.050 0.271 0.000 0.849 465 N CB -0.166 38.538 38.487 0.361 0.000 1.116 465 N HN 0.592 nan 8.380 nan 0.000 0.485 466 W N 1.142 122.471 121.300 0.048 0.000 2.754 466 W HA -0.133 4.531 4.660 0.008 0.000 0.439 466 W C 0.489 177.002 176.519 -0.009 0.000 0.919 466 W CA 0.640 57.995 57.345 0.017 0.000 1.128 466 W CB -0.410 29.054 29.460 0.006 0.000 1.123 466 W HN 0.362 nan 8.180 nan 0.000 0.606 467 G N 2.146 110.798 108.800 -0.248 0.000 4.199 467 G HA2 -0.098 3.867 3.960 0.008 0.000 0.220 467 G HA3 -0.098 3.867 3.960 0.008 0.000 0.220 467 G C -0.060 174.675 174.900 -0.275 0.000 0.841 467 G CA 0.005 44.946 45.100 -0.265 0.000 0.973 467 G HN 0.473 nan 8.290 nan 0.000 0.743 468 E N -1.394 118.588 120.200 -0.364 0.000 3.064 468 E HA -0.337 4.018 4.350 0.008 0.000 0.247 468 E C 1.431 177.679 176.600 -0.586 0.000 1.372 468 E CA 1.619 57.720 56.400 -0.498 0.000 1.837 468 E CB -1.032 28.471 29.700 -0.328 0.000 2.036 468 E HN 0.537 nan 8.360 nan 0.000 0.546 469 Q N 0.998 120.552 119.800 -0.411 0.000 2.482 469 Q HA 0.095 4.440 4.340 0.008 0.000 0.209 469 Q C 1.449 177.351 176.000 -0.163 0.000 0.961 469 Q CA 1.565 57.188 55.803 -0.300 0.000 0.945 469 Q CB 0.069 28.701 28.738 -0.176 0.000 1.012 469 Q HN 0.282 nan 8.270 nan 0.000 0.515 470 K N 1.084 121.396 120.400 -0.147 0.000 2.228 470 K HA -0.076 4.249 4.320 0.008 0.000 0.202 470 K C 0.871 177.445 176.600 -0.043 0.000 1.051 470 K CA 1.082 57.321 56.287 -0.079 0.000 0.960 470 K CB -0.008 32.450 32.500 -0.071 0.000 0.743 470 K HN 0.420 nan 8.250 nan 0.000 0.458 471 K N -0.923 119.452 120.400 -0.041 0.000 7.118 471 K HA -0.359 3.966 4.320 0.008 0.000 0.461 471 K C 1.455 178.067 176.600 0.020 0.000 0.407 471 K CA 2.107 58.402 56.287 0.014 0.000 1.885 471 K CB -2.110 30.416 32.500 0.043 0.000 0.873 471 K HN 0.096 nan 8.250 nan 0.000 0.809 472 A N 0.706 123.530 122.820 0.007 0.000 2.194 472 A HA 0.007 4.332 4.320 0.008 0.000 0.220 472 A C 1.248 178.840 177.584 0.013 0.000 1.162 472 A CA 1.529 53.572 52.037 0.010 0.000 0.674 472 A CB -0.479 18.521 19.000 0.001 0.000 0.789 472 A HN 0.510 nan 8.150 nan 0.000 0.470 473 M N 1.523 121.130 119.600 0.012 0.000 2.522 473 M HA 0.072 4.557 4.480 0.008 0.000 0.333 473 M C 1.455 177.784 176.300 0.048 0.000 1.632 473 M CA 0.515 55.830 55.300 0.026 0.000 1.293 473 M CB 0.056 32.667 32.600 0.018 0.000 1.857 473 M HN 0.416 nan 8.290 nan 0.000 0.456 474 S N 0.503 116.229 115.700 0.043 0.000 2.465 474 S HA -0.141 4.334 4.470 0.008 0.000 0.241 474 S C 1.531 176.167 174.600 0.059 0.000 1.000 474 S CA 1.003 59.230 58.200 0.045 0.000 0.964 474 S CB -0.981 62.238 63.200 0.032 0.000 0.763 474 S HN 0.827 nan 8.310 nan 0.000 0.512 475 S N 1.669 117.418 115.700 0.081 0.000 2.776 475 S HA -0.019 4.455 4.470 0.008 0.000 0.242 475 S C 1.245 175.922 174.600 0.129 0.000 0.977 475 S CA 0.137 58.403 58.200 0.109 0.000 0.985 475 S CB -0.763 62.542 63.200 0.176 0.000 0.782 475 S HN 0.638 nan 8.310 nan 0.000 0.542 476 R N 1.079 121.639 120.500 0.101 0.000 2.316 476 R HA -0.051 4.294 4.340 0.008 0.000 0.232 476 R C 2.360 178.704 176.300 0.074 0.000 1.137 476 R CA 0.806 56.964 56.100 0.096 0.000 1.012 476 R CB -1.135 29.207 30.300 0.071 0.000 0.859 476 R HN 0.570 nan 8.270 nan 0.000 0.474 477 A N 1.307 124.162 122.820 0.058 0.000 2.120 477 A HA -0.284 4.041 4.320 0.008 0.000 0.227 477 A C 1.844 179.434 177.584 0.010 0.000 1.268 477 A CA 1.820 53.873 52.037 0.026 0.000 0.700 477 A CB -1.285 17.722 19.000 0.011 0.000 0.828 477 A HN 0.630 nan 8.150 nan 0.000 0.510 478 G N -2.045 106.769 108.800 0.023 0.000 2.272 478 G HA2 -0.072 3.893 3.960 0.008 0.000 0.280 478 G HA3 -0.072 3.893 3.960 0.008 0.000 0.280 478 G C 0.073 174.946 174.900 -0.046 0.000 1.067 478 G CA 0.200 45.306 45.100 0.010 0.000 0.902 478 G HN 1.489 nan 8.290 nan 0.000 0.500 479 V N -0.643 119.200 119.914 -0.118 0.000 2.872 479 V HA 0.579 4.704 4.120 0.008 0.000 0.307 479 V C 1.275 177.231 176.094 -0.229 0.000 1.072 479 V CA 0.577 62.714 62.300 -0.272 0.000 1.148 479 V CB 1.199 32.676 31.823 -0.577 0.000 0.954 479 V HN 2.241 nan 8.190 nan 0.000 0.490 480 S N 2.522 118.087 115.700 -0.225 0.000 3.530 480 S HA -0.137 4.338 4.470 0.008 0.000 0.618 480 S C -0.478 174.118 174.600 -0.008 0.000 0.591 480 S CA 0.711 58.855 58.200 -0.094 0.000 1.420 480 S CB -0.728 62.449 63.200 -0.037 0.000 0.954 480 S HN 0.958 nan 8.310 nan 0.000 0.956 481 Q N 2.238 122.057 119.800 0.031 0.000 2.814 481 Q HA 0.660 5.005 4.340 0.008 0.000 0.283 481 Q C 0.154 176.232 176.000 0.128 0.000 1.071 481 Q CA -0.948 54.919 55.803 0.106 0.000 0.849 481 Q CB 1.225 30.092 28.738 0.216 0.000 1.437 481 Q HN 0.541 nan 8.270 nan 0.000 0.492 482 V N 1.618 121.604 119.914 0.121 0.000 2.847 482 V HA 0.103 4.228 4.120 0.008 0.000 0.364 482 V C 1.027 177.161 176.094 0.067 0.000 1.374 482 V CA 0.103 62.445 62.300 0.070 0.000 1.542 482 V CB -1.562 30.276 31.823 0.026 0.000 1.471 482 V HN 0.696 nan 8.190 nan 0.000 0.557 483 L N 0.706 122.005 121.223 0.127 0.000 6.449 483 L HA -0.336 4.008 4.340 0.008 0.000 0.053 483 L C 0.394 177.346 176.870 0.136 0.000 1.704 483 L CA 2.043 56.977 54.840 0.157 0.000 1.776 483 L CB -0.111 41.898 42.059 -0.082 0.000 2.612 483 L HN 0.850 nan 8.230 nan 0.000 1.004 484 N N -0.466 118.246 118.700 0.020 0.000 4.296 484 N HA 0.249 4.994 4.740 0.008 0.000 0.183 484 N C -1.377 174.119 175.510 -0.023 0.000 1.159 484 N CA -0.311 52.699 53.050 -0.067 0.000 0.980 484 N CB 0.665 39.036 38.487 -0.194 0.000 1.621 484 N HN 0.425 nan 8.380 nan 0.000 0.861 485 R N 3.172 123.652 120.500 -0.033 0.000 2.868 485 R HA 0.220 4.565 4.340 0.008 0.000 0.289 485 R C -0.403 175.796 176.300 -0.168 0.000 1.443 485 R CA -0.338 55.758 56.100 -0.007 0.000 1.651 485 R CB 0.386 30.715 30.300 0.048 0.000 1.242 485 R HN 0.559 nan 8.270 nan 0.000 0.621 486 Y N 0.174 120.381 120.300 -0.156 0.000 2.265 486 Y HA 0.197 4.751 4.550 0.007 0.000 0.290 486 Y C 0.797 176.671 175.900 -0.044 0.000 1.137 486 Y CA 0.973 58.969 58.100 -0.174 0.000 1.147 486 Y CB 0.941 39.322 38.460 -0.132 0.000 1.104 486 Y HN -0.004 nan 8.280 nan 0.000 0.514 487 T N -0.493 114.183 114.554 0.203 0.000 2.908 487 T HA 0.157 4.512 4.350 0.008 0.000 0.290 487 T C -0.008 174.828 174.700 0.227 0.000 1.034 487 T CA -0.540 61.676 62.100 0.193 0.000 1.010 487 T CB 1.018 70.019 68.868 0.221 0.000 1.068 487 T HN 0.246 nan 8.240 nan 0.000 0.481 488 Y N 2.970 123.336 120.300 0.111 0.000 2.006 488 Y HA -0.197 4.357 4.550 0.007 0.000 0.266 488 Y C 2.706 178.673 175.900 0.111 0.000 1.133 488 Y CA 2.809 60.960 58.100 0.085 0.000 1.098 488 Y CB -0.730 37.725 38.460 -0.009 0.000 0.969 488 Y HN 0.662 nan 8.280 nan 0.000 0.482 489 S N -0.355 115.470 115.700 0.209 0.000 2.571 489 S HA -0.188 4.286 4.470 0.008 0.000 0.245 489 S C 2.034 176.647 174.600 0.022 0.000 0.976 489 S CA 1.059 59.317 58.200 0.097 0.000 0.954 489 S CB -1.077 62.305 63.200 0.304 0.000 0.756 489 S HN 0.643 nan 8.310 nan 0.000 0.535 490 S N 1.983 117.706 115.700 0.040 0.000 2.374 490 S HA -0.138 4.336 4.470 0.008 0.000 0.207 490 S C 1.942 176.525 174.600 -0.029 0.000 1.042 490 S CA 1.859 60.072 58.200 0.021 0.000 1.034 490 S CB -1.648 61.590 63.200 0.064 0.000 1.018 490 S HN 0.622 nan 8.310 nan 0.000 0.419 491 T N 3.845 118.373 114.554 -0.043 0.000 2.578 491 T HA -0.274 4.081 4.350 0.008 0.000 0.252 491 T C 1.745 176.390 174.700 -0.093 0.000 1.192 491 T CA 2.329 64.389 62.100 -0.068 0.000 1.143 491 T CB -1.396 67.405 68.868 -0.111 0.000 0.848 491 T HN 0.442 nan 8.240 nan 0.000 0.450 492 L N 0.566 121.661 121.223 -0.213 0.000 2.103 492 L HA -0.234 4.111 4.340 0.008 0.000 0.215 492 L C 2.878 179.707 176.870 -0.068 0.000 1.080 492 L CA 1.829 56.571 54.840 -0.163 0.000 0.764 492 L CB -0.743 41.190 42.059 -0.210 0.000 0.890 492 L HN 0.372 nan 8.230 nan 0.000 0.435 493 S N -1.411 114.265 115.700 -0.040 0.000 2.345 493 S HA -0.227 4.248 4.470 0.008 0.000 0.219 493 S C 2.033 176.657 174.600 0.041 0.000 1.031 493 S CA 0.833 59.031 58.200 -0.003 0.000 0.984 493 S CB -0.362 62.839 63.200 0.001 0.000 0.874 493 S HN 0.521 nan 8.310 nan 0.000 0.451 494 H N 0.544 119.579 119.070 -0.058 0.000 2.489 494 H HA 0.030 4.590 4.556 0.008 0.000 0.295 494 H C 1.336 176.641 175.328 -0.038 0.000 1.082 494 H CA 1.209 57.227 56.048 -0.050 0.000 1.295 494 H CB -0.048 29.682 29.762 -0.053 0.000 1.380 494 H HN 0.381 nan 8.280 nan 0.000 0.548 495 L N 0.220 121.405 121.223 -0.064 0.000 2.627 495 L HA 0.056 4.401 4.340 0.008 0.000 0.233 495 L C 1.080 177.906 176.870 -0.073 0.000 1.144 495 L CA 0.429 55.213 54.840 -0.092 0.000 0.892 495 L CB 0.136 42.175 42.059 -0.033 0.000 1.039 495 L HN 0.121 nan 8.230 nan 0.000 0.442 496 R N -0.360 120.103 120.500 -0.061 0.000 2.659 496 R HA 0.257 4.602 4.340 0.008 0.000 0.418 496 R C 0.188 176.463 176.300 -0.043 0.000 1.076 496 R CA -0.270 55.804 56.100 -0.042 0.000 1.093 496 R CB 0.812 31.096 30.300 -0.028 0.000 1.400 496 R HN 0.132 nan 8.270 nan 0.000 0.583 497 R N 0.406 120.869 120.500 -0.062 0.000 2.573 497 R HA 0.365 4.710 4.340 0.008 0.000 0.272 497 R C -0.698 175.577 176.300 -0.042 0.000 1.009 497 R CA 0.052 56.127 56.100 -0.043 0.000 1.059 497 R CB 1.481 31.770 30.300 -0.019 0.000 1.112 497 R HN -0.171 nan 8.270 nan 0.000 0.517 498 T N 2.341 116.880 114.554 -0.025 0.000 2.890 498 T HA 0.211 4.565 4.350 0.008 0.000 0.295 498 T C -0.916 173.779 174.700 -0.008 0.000 0.993 498 T CA -0.706 61.388 62.100 -0.010 0.000 0.979 498 T CB 0.880 69.757 68.868 0.014 0.000 0.967 498 T HN 0.438 nan 8.240 nan 0.000 0.441 499 N N 1.947 120.638 118.700 -0.014 0.000 2.515 499 N HA 0.498 5.243 4.740 0.008 0.000 0.279 499 N C -0.870 174.646 175.510 0.010 0.000 1.164 499 N CA -0.055 52.990 53.050 -0.008 0.000 0.982 499 N CB 1.135 39.607 38.487 -0.024 0.000 1.170 499 N HN 0.524 nan 8.380 nan 0.000 0.474 500 T N 2.914 117.477 114.554 0.015 0.000 3.011 500 T HA 0.400 4.755 4.350 0.008 0.000 0.303 500 T C -2.483 172.227 174.700 0.017 0.000 0.997 500 T CA -0.876 61.239 62.100 0.026 0.000 1.007 500 T CB 2.160 71.056 68.868 0.047 0.000 1.017 500 T HN 0.423 nan 8.240 nan 0.000 0.443 501 P HA 0.606 nan 4.420 nan 0.000 0.289 501 P C 0.496 177.802 177.300 0.010 0.000 1.299 501 P CA -0.451 62.657 63.100 0.012 0.000 0.766 501 P CB 0.569 32.279 31.700 0.015 0.000 1.226 510 K N 0.797 121.183 120.400 -0.024 0.000 3.098 510 K HA 0.321 4.646 4.320 0.008 0.000 0.170 510 K C -2.637 173.970 176.600 0.013 0.000 1.106 510 K CA -0.841 55.445 56.287 -0.001 0.000 0.864 510 K CB 2.071 34.577 32.500 0.010 0.000 1.047 510 K HN 0.240 nan 8.250 nan 0.000 0.609 511 P HA 0.144 nan 4.420 nan 0.000 0.266 511 P C 0.099 177.426 177.300 0.045 0.000 1.381 511 P CA -0.121 62.997 63.100 0.029 0.000 0.940 511 P CB 0.475 32.187 31.700 0.020 0.000 1.435 512 R N -1.475 119.046 120.500 0.036 0.000 2.344 512 R HA 0.204 4.549 4.340 0.008 0.000 0.209 512 R C 0.496 176.822 176.300 0.043 0.000 0.886 512 R CA -0.317 55.801 56.100 0.031 0.000 1.040 512 R CB -0.100 30.206 30.300 0.010 0.000 1.114 512 R HN 0.106 nan 8.270 nan 0.000 0.547 513 Q N 1.403 121.236 119.800 0.055 0.000 2.369 513 Q HA 0.012 4.357 4.340 0.008 0.000 0.295 513 Q C -0.686 175.389 176.000 0.125 0.000 1.075 513 Q CA 0.295 56.141 55.803 0.071 0.000 0.941 513 Q CB 0.468 29.250 28.738 0.074 0.000 1.260 513 Q HN 0.071 nan 8.270 nan 0.000 0.417 514 L N 3.184 124.476 121.223 0.115 0.000 2.278 514 L HA 0.266 4.610 4.340 0.008 0.000 0.287 514 L C -1.004 175.962 176.870 0.159 0.000 1.072 514 L CA 0.031 54.993 54.840 0.204 0.000 0.819 514 L CB 0.279 42.400 42.059 0.104 0.000 1.176 514 L HN 0.656 nan 8.230 nan 0.000 0.435 515 H N 3.634 122.716 119.070 0.020 0.000 2.469 515 H HA 0.382 4.942 4.556 0.008 0.000 0.342 515 H C 0.945 176.140 175.328 -0.222 0.000 1.115 515 H CA -0.342 55.581 56.048 -0.207 0.000 1.204 515 H CB 0.994 30.516 29.762 -0.400 0.000 1.492 515 H HN 0.745 nan 8.280 nan 0.000 0.499 516 N N 1.685 119.903 118.700 -0.803 0.000 2.171 516 N HA -0.295 4.450 4.740 0.008 0.000 0.200 516 N C 1.363 176.786 175.510 -0.144 0.000 0.991 516 N CA 2.554 55.355 53.050 -0.416 0.000 0.906 516 N CB -0.322 37.892 38.487 -0.455 0.000 1.060 516 N HN 0.802 nan 8.380 nan 0.000 0.510 517 T N -1.769 112.743 114.554 -0.070 0.000 3.051 517 T HA -0.073 4.281 4.350 0.008 0.000 0.269 517 T C 1.380 176.120 174.700 0.066 0.000 1.127 517 T CA 0.855 62.950 62.100 -0.010 0.000 1.107 517 T CB -0.275 68.468 68.868 -0.208 0.000 0.898 517 T HN 0.254 nan 8.240 nan 0.000 0.517 518 H N -0.360 118.714 119.070 0.007 0.000 2.524 518 H HA 0.099 4.660 4.556 0.008 0.000 0.282 518 H C 0.788 176.087 175.328 -0.049 0.000 1.016 518 H CA -0.218 55.738 56.048 -0.154 0.000 1.270 518 H CB -0.457 29.190 29.762 -0.191 0.000 1.394 518 H HN 0.586 nan 8.280 nan 0.000 0.568 519 W N 2.032 123.335 121.300 0.005 0.000 2.591 519 W HA 0.257 4.922 4.660 0.008 0.000 0.330 519 W C 0.515 177.010 176.519 -0.039 0.000 1.435 519 W CA 1.323 58.649 57.345 -0.031 0.000 1.350 519 W CB -0.222 29.208 29.460 -0.050 0.000 1.434 519 W HN 0.447 nan 8.180 nan 0.000 0.553 520 G N 3.787 112.259 108.800 -0.547 0.000 2.213 520 G HA2 -0.303 3.662 3.960 0.008 0.000 0.226 520 G HA3 -0.303 3.662 3.960 0.008 0.000 0.226 520 G C 0.533 175.283 174.900 -0.250 0.000 0.992 520 G CA 0.369 45.181 45.100 -0.480 0.000 0.632 520 G HN 0.549 nan 8.290 nan 0.000 0.511 521 L N -0.506 120.624 121.223 -0.155 0.000 2.777 521 L HA 0.428 4.773 4.340 0.008 0.000 0.172 521 L C 1.385 178.164 176.870 -0.152 0.000 1.179 521 L CA 0.165 54.952 54.840 -0.088 0.000 0.859 521 L CB -0.255 41.855 42.059 0.084 0.000 1.269 521 L HN 0.068 nan 8.230 nan 0.000 0.511 522 V N -0.067 119.690 119.914 -0.262 0.000 2.904 522 V HA 0.084 4.208 4.120 0.008 0.000 0.305 522 V C -0.072 175.863 176.094 -0.265 0.000 1.067 522 V CA -0.920 61.175 62.300 -0.341 0.000 1.044 522 V CB 2.020 33.450 31.823 -0.654 0.000 1.050 522 V HN 0.386 nan 8.190 nan 0.000 0.475 523 C N 6.645 125.814 119.300 -0.219 0.000 2.482 523 C HA 0.357 4.822 4.460 0.008 0.000 0.378 523 C C -0.192 174.704 174.990 -0.158 0.000 1.284 523 C CA -1.276 57.644 59.018 -0.164 0.000 1.826 523 C CB 0.276 27.943 27.740 -0.122 0.000 2.473 523 C HN 0.836 nan 8.230 nan 0.000 0.562 524 P HA -0.044 nan 4.420 nan 0.000 0.221 524 P C 0.962 178.224 177.300 -0.063 0.000 1.150 524 P CA 2.014 65.071 63.100 -0.070 0.000 0.800 524 P CB 0.215 31.904 31.700 -0.018 0.000 0.787 525 A N -0.158 122.623 122.820 -0.066 0.000 1.944 525 A HA 0.050 4.375 4.320 0.008 0.000 0.207 525 A C 1.329 178.861 177.584 -0.087 0.000 1.265 525 A CA -0.025 51.975 52.037 -0.063 0.000 0.712 525 A CB -0.865 18.110 19.000 -0.041 0.000 0.915 525 A HN 0.132 nan 8.150 nan 0.000 0.470 526 E N 0.664 120.811 120.200 -0.087 0.000 2.415 526 E HA 0.339 4.694 4.350 0.008 0.000 0.263 526 E C -0.453 176.088 176.600 -0.099 0.000 0.995 526 E CA 0.738 57.086 56.400 -0.088 0.000 0.915 526 E CB 0.232 29.886 29.700 -0.076 0.000 0.951 526 E HN 0.356 nan 8.360 nan 0.000 0.449 527 T N 4.058 118.553 114.554 -0.098 0.000 3.121 527 T HA 0.212 4.567 4.350 0.008 0.000 0.377 527 T C -2.993 171.647 174.700 -0.100 0.000 1.820 527 T CA -1.191 60.851 62.100 -0.096 0.000 1.098 527 T CB 1.105 69.912 68.868 -0.102 0.000 1.681 527 T HN 0.363 nan 8.240 nan 0.000 0.492 528 P HA 0.501 nan 4.420 nan 0.000 0.282 528 P C -0.840 176.411 177.300 -0.081 0.000 1.259 528 P CA -0.395 62.660 63.100 -0.075 0.000 0.826 528 P CB 0.783 32.450 31.700 -0.055 0.000 1.064 529 E N 0.132 120.288 120.200 -0.075 0.000 2.249 529 E HA 0.413 4.767 4.350 0.008 0.000 0.280 529 E C 0.985 177.560 176.600 -0.042 0.000 1.016 529 E CA -0.221 56.137 56.400 -0.070 0.000 0.830 529 E CB 0.563 30.233 29.700 -0.050 0.000 1.081 529 E HN 0.739 nan 8.360 nan 0.000 0.395 530 G N 2.589 111.368 108.800 -0.035 0.000 2.629 530 G HA2 -0.507 3.457 3.960 0.008 0.000 0.313 530 G HA3 -0.507 3.457 3.960 0.008 0.000 0.313 530 G C 0.891 175.777 174.900 -0.023 0.000 1.217 530 G CA 0.898 45.985 45.100 -0.022 0.000 0.994 530 G HN 0.723 nan 8.290 nan 0.000 0.549 531 Q N -1.264 118.525 119.800 -0.019 0.000 2.593 531 Q HA -0.327 4.018 4.340 0.008 0.000 0.238 531 Q C 2.119 178.109 176.000 -0.017 0.000 1.101 531 Q CA 3.550 59.342 55.803 -0.018 0.000 1.014 531 Q CB -0.856 27.870 28.738 -0.019 0.000 0.951 531 Q HN 1.918 nan 8.270 nan 0.000 0.568 532 A N -0.619 122.189 122.820 -0.020 0.000 2.855 532 A HA 0.324 4.649 4.320 0.008 0.000 0.301 532 A C -0.448 177.122 177.584 -0.023 0.000 1.076 532 A CA -0.395 51.632 52.037 -0.017 0.000 1.004 532 A CB 0.241 19.233 19.000 -0.014 0.000 1.152 532 A HN 0.513 nan 8.150 nan 0.000 0.531 533 C N 0.123 119.406 119.300 -0.028 0.000 2.634 533 C HA 0.463 4.927 4.460 0.008 0.000 0.418 533 C C 1.934 176.904 174.990 -0.034 0.000 1.373 533 C CA 1.682 60.676 59.018 -0.039 0.000 1.756 533 C CB -1.067 26.648 27.740 -0.043 0.000 2.589 533 C HN 1.907 nan 8.230 nan 0.000 0.602 534 G N 4.512 113.286 108.800 -0.043 0.000 2.320 534 G HA2 -0.278 3.687 3.960 0.008 0.000 0.242 534 G HA3 -0.278 3.687 3.960 0.008 0.000 0.242 534 G C 0.719 175.603 174.900 -0.025 0.000 1.033 534 G CA 0.634 45.713 45.100 -0.036 0.000 0.620 534 G HN 0.755 nan 8.290 nan 0.000 0.517 535 L N 0.614 121.827 121.223 -0.017 0.000 1.988 535 L HA 0.091 4.435 4.340 0.008 0.000 0.207 535 L C 1.747 178.610 176.870 -0.012 0.000 1.071 535 L CA 1.140 55.977 54.840 -0.004 0.000 0.744 535 L CB -0.682 41.376 42.059 -0.001 0.000 0.893 535 L HN 0.190 nan 8.230 nan 0.000 0.433 536 V N 1.757 121.658 119.914 -0.023 0.000 2.585 536 V HA 0.054 4.178 4.120 0.008 0.000 0.296 536 V C 0.201 176.261 176.094 -0.056 0.000 1.035 536 V CA 0.169 62.451 62.300 -0.029 0.000 1.084 536 V CB 0.581 32.390 31.823 -0.024 0.000 0.953 536 V HN 0.238 nan 8.190 nan 0.000 0.483 537 K N 4.001 124.362 120.400 -0.065 0.000 2.378 537 K HA 0.597 4.921 4.320 0.008 0.000 0.244 537 K C -1.062 175.489 176.600 -0.082 0.000 1.039 537 K CA -0.927 55.294 56.287 -0.110 0.000 0.863 537 K CB 1.958 34.343 32.500 -0.192 0.000 1.326 537 K HN 0.578 nan 8.250 nan 0.000 0.460 538 N N 0.812 119.452 118.700 -0.100 0.000 2.240 538 N HA 0.387 5.132 4.740 0.008 0.000 0.302 538 N C -0.370 175.085 175.510 -0.092 0.000 1.106 538 N CA -0.695 52.311 53.050 -0.074 0.000 0.778 538 N CB 1.894 40.346 38.487 -0.058 0.000 1.431 538 N HN 0.268 nan 8.380 nan 0.000 0.479 539 L N 1.006 122.190 121.223 -0.065 0.000 2.464 539 L HA 0.210 4.555 4.340 0.008 0.000 0.264 539 L C 1.019 177.843 176.870 -0.078 0.000 1.199 539 L CA -0.174 54.625 54.840 -0.069 0.000 0.818 539 L CB 0.420 42.453 42.059 -0.044 0.000 1.102 539 L HN 0.419 nan 8.230 nan 0.000 0.473 540 S N 1.001 116.639 115.700 -0.103 0.000 2.593 540 S HA 0.178 4.653 4.470 0.008 0.000 0.269 540 S C 1.443 176.009 174.600 -0.056 0.000 1.334 540 S CA -0.713 57.423 58.200 -0.107 0.000 1.015 540 S CB 1.044 64.140 63.200 -0.172 0.000 0.912 540 S HN 0.456 nan 8.310 nan 0.000 0.541 541 L N 1.086 122.307 121.223 -0.005 0.000 1.997 541 L HA -0.189 4.155 4.340 0.008 0.000 0.216 541 L C 2.083 179.006 176.870 0.090 0.000 1.074 541 L CA 1.690 56.607 54.840 0.128 0.000 0.763 541 L CB -0.307 41.892 42.059 0.234 0.000 0.890 541 L HN 0.674 nan 8.230 nan 0.000 0.434 542 M N -0.131 119.396 119.600 -0.121 0.000 2.571 542 M HA 0.045 4.529 4.480 0.008 0.000 0.235 542 M C 0.381 176.434 176.300 -0.412 0.000 1.216 542 M CA -0.143 54.925 55.300 -0.386 0.000 0.979 542 M CB 0.050 32.275 32.600 -0.625 0.000 1.616 542 M HN 0.224 nan 8.290 nan 0.000 0.469 543 S N -1.387 114.163 115.700 -0.250 0.000 2.537 543 S HA 0.728 5.203 4.470 0.008 0.000 0.301 543 S C -0.435 173.985 174.600 -0.299 0.000 1.092 543 S CA -0.956 57.051 58.200 -0.322 0.000 1.048 543 S CB 1.902 64.968 63.200 -0.224 0.000 1.053 543 S HN 0.342 nan 8.310 nan 0.000 0.501 544 C N 1.052 120.027 119.300 -0.542 0.000 3.307 544 C HA 0.736 5.201 4.460 0.008 0.000 0.350 544 C C -0.873 173.952 174.990 -0.275 0.000 1.549 544 C CA -0.810 57.957 59.018 -0.418 0.000 1.396 544 C CB 0.766 28.252 27.740 -0.423 0.000 1.970 544 C HN 0.891 nan 8.230 nan 0.000 0.441 545 I N 1.524 122.128 120.570 0.057 0.000 2.436 545 I HA 0.327 4.502 4.170 0.008 0.000 0.289 545 I C 0.493 176.845 176.117 0.392 0.000 1.010 545 I CA 0.341 61.772 61.300 0.217 0.000 1.098 545 I CB 1.816 39.877 38.000 0.102 0.000 1.266 545 I HN 0.768 nan 8.210 nan 0.000 0.434 546 S N 5.270 121.202 115.700 0.387 0.000 2.596 546 S HA 0.025 4.500 4.470 0.008 0.000 0.298 546 S C 0.924 175.582 174.600 0.096 0.000 1.255 546 S CA -0.268 58.019 58.200 0.145 0.000 1.083 546 S CB 0.820 64.030 63.200 0.017 0.000 0.837 546 S HN 0.569 nan 8.310 nan 0.000 0.499 547 V N 3.887 123.839 119.914 0.064 0.000 2.446 547 V HA 0.407 4.532 4.120 0.008 0.000 0.244 547 V C 1.294 177.384 176.094 -0.006 0.000 1.039 547 V CA 1.569 63.889 62.300 0.033 0.000 1.045 547 V CB -0.509 31.325 31.823 0.019 0.000 0.681 547 V HN 1.670 nan 8.190 nan 0.000 0.459 548 G N 0.690 109.472 108.800 -0.029 0.000 2.491 548 G HA2 -0.076 3.889 3.960 0.008 0.000 0.508 548 G HA3 -0.076 3.889 3.960 0.008 0.000 0.508 548 G C -0.271 174.596 174.900 -0.055 0.000 1.143 548 G CA -0.165 44.919 45.100 -0.028 0.000 1.277 548 G HN 0.421 nan 8.290 nan 0.000 0.599 549 T N 0.808 115.330 114.554 -0.054 0.000 2.698 549 T HA 0.453 4.808 4.350 0.008 0.000 0.295 549 T C 0.352 175.035 174.700 -0.029 0.000 1.007 549 T CA 0.222 62.287 62.100 -0.059 0.000 0.980 549 T CB 1.033 69.863 68.868 -0.064 0.000 1.036 549 T HN 0.526 nan 8.240 nan 0.000 0.526 550 D N 0.078 120.464 120.400 -0.022 0.000 2.177 550 D HA 0.362 5.007 4.640 0.008 0.000 0.247 550 D C -1.554 174.739 176.300 -0.012 0.000 1.063 550 D CA -2.201 51.797 54.000 -0.004 0.000 0.867 550 D CB 1.422 42.229 40.800 0.011 0.000 1.168 550 D HN 0.065 nan 8.370 nan 0.000 0.445 551 P HA -0.029 nan 4.420 nan 0.000 0.215 551 P C 1.119 178.390 177.300 -0.048 0.000 1.157 551 P CA 1.168 64.255 63.100 -0.022 0.000 0.856 551 P CB -0.090 31.610 31.700 0.001 0.000 0.786 552 M N -1.963 117.616 119.600 -0.035 0.000 2.659 552 M HA 0.186 4.671 4.480 0.008 0.000 0.243 552 M C -1.233 175.052 176.300 -0.025 0.000 1.111 552 M CA 0.818 56.092 55.300 -0.043 0.000 1.070 552 M CB -1.677 30.910 32.600 -0.020 0.000 1.525 552 M HN -0.063 nan 8.290 nan 0.000 0.517 553 P HA 0.042 nan 4.420 nan 0.000 0.240 553 P C 1.357 178.657 177.300 0.001 0.000 1.190 553 P CA 0.801 63.898 63.100 -0.005 0.000 0.781 553 P CB 0.115 31.806 31.700 -0.015 0.000 0.931 554 I N -0.226 120.326 120.570 -0.030 0.000 2.270 554 I HA -0.116 4.059 4.170 0.008 0.000 0.239 554 I C 2.420 178.522 176.117 -0.025 0.000 1.080 554 I CA 0.610 61.897 61.300 -0.023 0.000 1.383 554 I CB -1.174 36.786 38.000 -0.066 0.000 1.097 554 I HN -0.142 nan 8.210 nan 0.000 0.420 555 I N 1.407 121.900 120.570 -0.128 0.000 2.141 555 I HA -0.386 3.789 4.170 0.008 0.000 0.243 555 I C 2.633 178.694 176.117 -0.093 0.000 1.035 555 I CA 1.965 63.132 61.300 -0.222 0.000 1.302 555 I CB -1.910 35.927 38.000 -0.272 0.000 1.006 555 I HN 0.233 nan 8.210 nan 0.000 0.413 556 T N 0.576 115.114 114.554 -0.027 0.000 2.708 556 T HA -0.203 4.152 4.350 0.008 0.000 0.266 556 T C 1.757 176.494 174.700 0.061 0.000 1.037 556 T CA 1.487 63.599 62.100 0.020 0.000 1.146 556 T CB -0.498 68.392 68.868 0.037 0.000 0.865 556 T HN 0.311 nan 8.240 nan 0.000 0.435 557 F N 1.545 121.469 119.950 -0.043 0.000 2.161 557 F HA -0.066 4.466 4.527 0.008 0.000 0.300 557 F C 1.780 177.573 175.800 -0.010 0.000 1.089 557 F CA 1.119 59.089 58.000 -0.050 0.000 1.282 557 F CB -0.421 38.471 39.000 -0.179 0.000 1.010 557 F HN 0.077 nan 8.300 nan 0.000 0.485 558 L N -0.098 121.076 121.223 -0.082 0.000 2.005 558 L HA -0.206 4.138 4.340 0.008 0.000 0.207 558 L C 2.800 179.617 176.870 -0.089 0.000 1.072 558 L CA 1.547 56.307 54.840 -0.133 0.000 0.744 558 L CB -1.174 40.842 42.059 -0.073 0.000 0.895 558 L HN 0.245 nan 8.230 nan 0.000 0.433 559 S N -0.883 114.785 115.700 -0.052 0.000 2.419 559 S HA -0.221 4.254 4.470 0.008 0.000 0.235 559 S C 1.674 176.262 174.600 -0.021 0.000 1.019 559 S CA 1.166 59.352 58.200 -0.023 0.000 0.982 559 S CB -0.436 62.756 63.200 -0.013 0.000 0.789 559 S HN 0.455 nan 8.310 nan 0.000 0.490 560 E N -0.876 119.312 120.200 -0.020 0.000 2.494 560 E HA 0.064 4.419 4.350 0.008 0.000 0.193 560 E C -0.759 175.803 176.600 -0.063 0.000 1.074 560 E CA -0.023 56.369 56.400 -0.013 0.000 0.867 560 E CB 0.145 29.883 29.700 0.064 0.000 0.924 560 E HN 0.723 nan 8.360 nan 0.000 0.502 561 W N -0.218 120.886 121.300 -0.328 0.000 1.187 561 W HA 0.285 4.949 4.660 0.008 0.000 0.297 561 W C 0.807 177.253 176.519 -0.121 0.000 0.842 561 W CA 0.160 57.310 57.345 -0.326 0.000 2.286 561 W CB 0.933 29.995 29.460 -0.663 0.000 1.736 561 W HN 0.097 nan 8.180 nan 0.000 0.507 562 G N 1.104 109.947 108.800 0.071 0.000 2.268 562 G HA2 -0.373 3.591 3.960 0.008 0.000 0.240 562 G HA3 -0.373 3.591 3.960 0.008 0.000 0.240 562 G C 0.666 175.730 174.900 0.274 0.000 1.010 562 G CA 0.049 45.254 45.100 0.175 0.000 0.618 562 G HN 0.336 nan 8.290 nan 0.000 0.516 563 M N 2.219 121.960 119.600 0.235 0.000 2.474 563 M HA 0.443 4.927 4.480 0.008 0.000 0.352 563 M C 0.098 176.434 176.300 0.060 0.000 1.690 563 M CA 0.487 55.890 55.300 0.172 0.000 1.112 563 M CB -0.002 32.616 32.600 0.030 0.000 2.062 563 M HN 0.265 nan 8.290 nan 0.000 0.461 564 E N 7.966 128.181 120.200 0.025 0.000 2.217 564 E HA 0.217 4.572 4.350 0.008 0.000 0.279 564 E C -2.099 174.447 176.600 -0.090 0.000 1.068 564 E CA -1.695 54.681 56.400 -0.039 0.000 0.882 564 E CB 0.180 29.846 29.700 -0.057 0.000 1.039 564 E HN 0.536 nan 8.360 nan 0.000 0.418 565 P HA -0.133 nan 4.420 nan 0.000 0.271 565 P C 0.676 177.870 177.300 -0.178 0.000 1.238 565 P CA -0.269 62.780 63.100 -0.086 0.000 0.794 565 P CB 0.863 32.551 31.700 -0.020 0.000 0.959 566 L N 1.663 122.746 121.223 -0.232 0.000 1.970 566 L HA -0.216 4.129 4.340 0.008 0.000 0.212 566 L C 2.364 179.128 176.870 -0.177 0.000 1.071 566 L CA 2.107 56.707 54.840 -0.401 0.000 0.751 566 L CB -1.542 40.309 42.059 -0.346 0.000 0.889 566 L HN 0.453 nan 8.230 nan 0.000 0.432 567 E N -1.128 119.078 120.200 0.010 0.000 2.393 567 E HA -0.239 4.115 4.350 0.008 0.000 0.201 567 E C 0.499 177.153 176.600 0.091 0.000 1.025 567 E CA 1.319 57.785 56.400 0.110 0.000 0.856 567 E CB -0.740 28.994 29.700 0.055 0.000 0.771 567 E HN 0.531 nan 8.360 nan 0.000 0.526 568 D N -0.153 120.262 120.400 0.026 0.000 2.491 568 D HA 0.045 4.690 4.640 0.008 0.000 0.228 568 D C -0.984 175.348 176.300 0.053 0.000 1.183 568 D CA -0.243 53.773 54.000 0.027 0.000 0.827 568 D CB -0.320 40.477 40.800 -0.004 0.000 0.989 568 D HN 0.102 nan 8.370 nan 0.000 0.494 569 Y N 1.434 121.650 120.300 -0.140 0.000 2.327 569 Y HA 0.358 4.912 4.550 0.008 0.000 0.336 569 Y C -0.324 175.542 175.900 -0.055 0.000 1.035 569 Y CA -1.764 56.192 58.100 -0.240 0.000 1.165 569 Y CB 0.830 38.856 38.460 -0.723 0.000 1.181 569 Y HN -0.195 nan 8.280 nan 0.000 0.494 570 V N 7.879 127.588 119.914 -0.341 0.000 2.266 570 V HA 0.349 4.474 4.120 0.008 0.000 0.271 570 V C -2.180 173.447 176.094 -0.777 0.000 1.032 570 V CA -1.711 60.300 62.300 -0.483 0.000 0.806 570 V CB 1.005 32.610 31.823 -0.364 0.000 1.052 570 V HN 0.643 nan 8.190 nan 0.000 0.449 571 P HA -0.184 nan 4.420 nan 0.000 0.217 571 P C 1.526 178.733 177.300 -0.155 0.000 1.150 571 P CA 1.815 64.528 63.100 -0.645 0.000 0.832 571 P CB -0.070 31.522 31.700 -0.180 0.000 0.787 572 H N -0.451 118.564 119.070 -0.092 0.000 2.489 572 H HA -0.041 4.520 4.556 0.008 0.000 0.293 572 H C 1.762 177.086 175.328 -0.008 0.000 1.066 572 H CA 0.967 57.004 56.048 -0.017 0.000 1.305 572 H CB -0.165 29.588 29.762 -0.016 0.000 1.386 572 H HN 0.241 nan 8.280 nan 0.000 0.551 573 Q N 1.180 120.730 119.800 -0.416 0.000 2.431 573 Q HA 0.109 4.453 4.340 0.008 0.000 0.244 573 Q C 0.066 176.007 176.000 -0.098 0.000 0.880 573 Q CA 0.045 55.689 55.803 -0.265 0.000 0.954 573 Q CB 0.918 29.381 28.738 -0.458 0.000 1.105 573 Q HN 0.259 nan 8.270 nan 0.000 0.558 574 S N 3.355 119.010 115.700 -0.074 0.000 2.695 574 S HA 0.261 4.736 4.470 0.008 0.000 0.275 574 S C -2.218 172.450 174.600 0.113 0.000 1.203 574 S CA -1.081 57.150 58.200 0.053 0.000 1.061 574 S CB 1.495 64.792 63.200 0.162 0.000 1.152 574 S HN 0.346 nan 8.310 nan 0.000 0.495 575 P HA 0.177 nan 4.420 nan 0.000 0.244 575 P C 0.146 177.500 177.300 0.090 0.000 1.191 575 P CA 0.280 63.444 63.100 0.107 0.000 0.829 575 P CB 0.308 32.063 31.700 0.091 0.000 1.008 576 D N 0.467 120.904 120.400 0.061 0.000 2.319 576 D HA 0.132 4.776 4.640 0.008 0.000 0.230 576 D C 0.525 176.844 176.300 0.032 0.000 1.094 576 D CA 0.115 54.140 54.000 0.042 0.000 0.856 576 D CB 0.167 40.981 40.800 0.023 0.000 0.915 576 D HN 0.113 nan 8.370 nan 0.000 0.517 577 A N 1.075 123.924 122.820 0.049 0.000 2.438 577 A HA 0.210 4.535 4.320 0.008 0.000 0.280 577 A C 0.567 178.159 177.584 0.013 0.000 1.160 577 A CA -0.013 52.036 52.037 0.020 0.000 0.821 577 A CB 0.084 19.113 19.000 0.049 0.000 1.101 577 A HN -0.101 nan 8.150 nan 0.000 0.515 578 T N 4.417 118.985 114.554 0.024 0.000 2.727 578 T HA 0.288 4.642 4.350 0.008 0.000 0.295 578 T C 0.651 175.374 174.700 0.039 0.000 0.915 578 T CA -0.104 62.023 62.100 0.045 0.000 1.066 578 T CB -0.165 68.754 68.868 0.085 0.000 0.891 578 T HN 0.738 nan 8.240 nan 0.000 0.516 579 R N 2.197 122.695 120.500 -0.003 0.000 2.390 579 R HA 0.580 4.925 4.340 0.008 0.000 0.291 579 R C -0.903 175.416 176.300 0.030 0.000 1.070 579 R CA -0.756 55.347 56.100 0.006 0.000 1.014 579 R CB 0.480 30.705 30.300 -0.124 0.000 1.007 579 R HN 0.250 nan 8.270 nan 0.000 0.466 580 V N 3.998 123.964 119.914 0.088 0.000 2.483 580 V HA 0.414 4.539 4.120 0.008 0.000 0.295 580 V C -0.717 175.403 176.094 0.043 0.000 1.035 580 V CA -0.477 61.880 62.300 0.095 0.000 0.896 580 V CB 1.065 32.934 31.823 0.077 0.000 0.986 580 V HN 0.566 nan 8.190 nan 0.000 0.447 581 F N 3.227 123.140 119.950 -0.062 0.000 2.522 581 F HA 0.766 5.298 4.527 0.008 0.000 0.324 581 F C -0.070 175.703 175.800 -0.047 0.000 1.077 581 F CA -0.665 57.295 58.000 -0.068 0.000 0.944 581 F CB 2.232 41.105 39.000 -0.212 0.000 1.175 581 F HN 0.148 nan 8.300 nan 0.000 0.468 582 V N 2.833 122.871 119.914 0.207 0.000 2.733 582 V HA 0.262 4.387 4.120 0.008 0.000 0.306 582 V C -0.486 175.610 176.094 0.003 0.000 1.084 582 V CA -1.250 61.087 62.300 0.062 0.000 0.905 582 V CB 1.820 33.695 31.823 0.088 0.000 1.010 582 V HN 0.800 nan 8.190 nan 0.000 0.424 583 N N 3.540 122.105 118.700 -0.224 0.000 2.666 583 N HA -0.222 4.523 4.740 0.008 0.000 0.248 583 N C 0.999 176.490 175.510 -0.032 0.000 1.118 583 N CA 2.068 55.027 53.050 -0.151 0.000 0.722 583 N CB -0.873 37.632 38.487 0.030 0.000 1.050 583 N HN 1.647 nan 8.380 nan 0.000 0.550 584 G N -3.274 105.496 108.800 -0.051 0.000 2.130 584 G HA2 -0.193 3.772 3.960 0.008 0.000 0.216 584 G HA3 -0.193 3.772 3.960 0.008 0.000 0.216 584 G C -0.294 174.834 174.900 0.381 0.000 0.999 584 G CA 0.072 45.309 45.100 0.227 0.000 0.686 584 G HN 0.474 nan 8.290 nan 0.000 0.515 585 V N 0.107 120.131 119.914 0.184 0.000 2.656 585 V HA 0.668 4.793 4.120 0.008 0.000 0.307 585 V C -0.389 175.524 176.094 -0.300 0.000 1.051 585 V CA -1.067 61.142 62.300 -0.152 0.000 0.893 585 V CB 1.967 33.576 31.823 -0.358 0.000 0.999 585 V HN 0.312 nan 8.190 nan 0.000 0.426 586 W N 4.901 125.848 121.300 -0.587 0.000 2.318 586 W HA 0.406 5.070 4.660 0.008 0.000 0.362 586 W C 0.951 177.156 176.519 -0.522 0.000 0.978 586 W CA -0.747 56.157 57.345 -0.735 0.000 1.509 586 W CB -0.109 29.011 29.460 -0.568 0.000 1.437 586 W HN 0.706 nan 8.180 nan 0.000 0.361 587 H N 3.369 122.422 119.070 -0.029 0.000 2.543 587 H HA 0.200 4.760 4.556 0.008 0.000 0.269 587 H C 1.402 176.629 175.328 -0.169 0.000 1.005 587 H CA 1.207 57.199 56.048 -0.093 0.000 1.146 587 H CB 0.120 29.847 29.762 -0.059 0.000 1.353 587 H HN 0.574 nan 8.280 nan 0.000 0.595 588 G N -0.090 108.567 108.800 -0.238 0.000 2.295 588 G HA2 -0.127 3.838 3.960 0.008 0.000 0.195 588 G HA3 -0.127 3.838 3.960 0.008 0.000 0.195 588 G C -1.018 173.763 174.900 -0.199 0.000 1.269 588 G CA -0.251 44.562 45.100 -0.477 0.000 1.170 588 G HN 0.154 nan 8.290 nan 0.000 0.511 589 V N -0.307 119.452 119.914 -0.259 0.000 3.181 589 V HA 0.949 5.073 4.120 0.008 0.000 0.314 589 V C -0.262 175.836 176.094 0.008 0.000 1.173 589 V CA -0.129 62.062 62.300 -0.182 0.000 1.052 589 V CB 2.039 33.553 31.823 -0.515 0.000 1.123 589 V HN 1.455 nan 8.190 nan 0.000 0.454 590 H N 0.471 119.488 119.070 -0.088 0.000 3.112 590 H HA 0.603 5.164 4.556 0.008 0.000 0.347 590 H C -1.085 174.233 175.328 -0.016 0.000 1.188 590 H CA -0.663 55.363 56.048 -0.037 0.000 1.240 590 H CB 1.394 31.154 29.762 -0.004 0.000 1.920 590 H HN 0.611 nan 8.280 nan 0.000 0.535 591 R N 3.111 123.145 120.500 -0.776 0.000 2.445 591 R HA 0.400 4.745 4.340 0.008 0.000 0.308 591 R C -0.621 175.357 176.300 -0.537 0.000 0.961 591 R CA -1.087 54.740 56.100 -0.455 0.000 0.862 591 R CB 1.001 31.138 30.300 -0.271 0.000 1.144 591 R HN 0.799 nan 8.270 nan 0.000 0.447 592 N N 2.232 120.831 118.700 -0.167 0.000 2.568 592 N HA -0.092 4.652 4.740 0.008 0.000 0.277 592 N C -2.023 173.611 175.510 0.206 0.000 1.200 592 N CA 0.079 53.128 53.050 -0.002 0.000 0.702 592 N CB 0.025 38.511 38.487 -0.001 0.000 0.889 592 N HN 0.524 nan 8.380 nan 0.000 0.546 593 P HA 0.053 nan 4.420 nan 0.000 0.235 593 P C 1.211 178.611 177.300 0.167 0.000 1.177 593 P CA 1.032 64.309 63.100 0.294 0.000 0.785 593 P CB -0.024 31.803 31.700 0.211 0.000 0.885 594 A N 1.204 124.103 122.820 0.131 0.000 1.971 594 A HA -0.235 4.089 4.320 0.008 0.000 0.222 594 A C 2.344 179.989 177.584 0.103 0.000 1.182 594 A CA 1.900 53.994 52.037 0.096 0.000 0.649 594 A CB -1.097 17.949 19.000 0.077 0.000 0.818 594 A HN 0.160 nan 8.150 nan 0.000 0.458 595 R N -1.993 118.589 120.500 0.137 0.000 2.206 595 R HA 0.205 4.550 4.340 0.008 0.000 0.198 595 R C 1.913 178.313 176.300 0.165 0.000 0.986 595 R CA 0.472 56.662 56.100 0.150 0.000 1.029 595 R CB -0.234 30.169 30.300 0.172 0.000 0.966 595 R HN 0.453 nan 8.270 nan 0.000 0.487 596 L N 0.507 121.837 121.223 0.178 0.000 2.187 596 L HA -0.111 4.234 4.340 0.008 0.000 0.213 596 L C 1.900 178.791 176.870 0.035 0.000 1.100 596 L CA 1.663 56.559 54.840 0.094 0.000 0.765 596 L CB -0.147 41.878 42.059 -0.056 0.000 0.904 596 L HN 0.123 nan 8.230 nan 0.000 0.437 597 M N -0.316 119.315 119.600 0.051 0.000 2.115 597 M HA -0.097 4.388 4.480 0.008 0.000 0.261 597 M C 2.210 178.521 176.300 0.020 0.000 1.079 597 M CA 1.890 57.208 55.300 0.030 0.000 1.143 597 M CB -0.554 32.073 32.600 0.045 0.000 1.332 597 M HN 0.354 nan 8.290 nan 0.000 0.421 598 E N -0.866 119.359 120.200 0.042 0.000 2.136 598 E HA -0.211 4.144 4.350 0.008 0.000 0.202 598 E C 1.581 178.187 176.600 0.010 0.000 1.019 598 E CA 2.615 59.036 56.400 0.036 0.000 0.819 598 E CB -0.467 29.268 29.700 0.059 0.000 0.739 598 E HN 0.559 nan 8.360 nan 0.000 0.458 599 T N 0.809 115.367 114.554 0.006 0.000 2.812 599 T HA -0.029 4.325 4.350 0.008 0.000 0.264 599 T C 1.587 176.190 174.700 -0.163 0.000 1.042 599 T CA 0.755 62.815 62.100 -0.068 0.000 1.140 599 T CB -0.157 68.664 68.868 -0.079 0.000 0.870 599 T HN 0.083 nan 8.240 nan 0.000 0.445 600 L N 1.075 122.220 121.223 -0.130 0.000 2.079 600 L HA -0.054 4.291 4.340 0.008 0.000 0.210 600 L C 2.540 179.324 176.870 -0.144 0.000 1.081 600 L CA 1.708 56.446 54.840 -0.169 0.000 0.752 600 L CB -0.870 41.132 42.059 -0.096 0.000 0.896 600 L HN 0.213 nan 8.230 nan 0.000 0.433 601 R N -0.802 119.650 120.500 -0.081 0.000 2.082 601 R HA -0.148 4.197 4.340 0.008 0.000 0.228 601 R C 2.178 178.429 176.300 -0.081 0.000 1.140 601 R CA 2.280 58.346 56.100 -0.055 0.000 0.920 601 R CB -0.719 29.576 30.300 -0.009 0.000 0.828 601 R HN 0.280 nan 8.270 nan 0.000 0.430 602 T N 1.423 115.933 114.554 -0.073 0.000 2.684 602 T HA -0.242 4.113 4.350 0.008 0.000 0.267 602 T C 1.724 176.354 174.700 -0.117 0.000 1.032 602 T CA 1.718 63.773 62.100 -0.076 0.000 1.155 602 T CB -0.313 68.519 68.868 -0.059 0.000 0.857 602 T HN 0.149 nan 8.240 nan 0.000 0.457 603 L N 0.031 121.149 121.223 -0.176 0.000 2.131 603 L HA 0.057 4.401 4.340 0.008 0.000 0.206 603 L C 2.930 179.681 176.870 -0.198 0.000 1.087 603 L CA 0.925 55.630 54.840 -0.224 0.000 0.767 603 L CB -0.442 41.396 42.059 -0.369 0.000 0.917 603 L HN 0.145 nan 8.230 nan 0.000 0.441 604 R N 0.864 121.257 120.500 -0.178 0.000 2.075 604 R HA -0.118 4.226 4.340 0.008 0.000 0.232 604 R C 2.197 178.410 176.300 -0.145 0.000 1.126 604 R CA 1.305 57.310 56.100 -0.159 0.000 0.963 604 R CB -0.045 30.175 30.300 -0.133 0.000 0.858 604 R HN 0.275 nan 8.270 nan 0.000 0.435 605 R N -0.042 120.387 120.500 -0.118 0.000 2.276 605 R HA -0.008 4.337 4.340 0.008 0.000 0.203 605 R C 1.997 178.232 176.300 -0.108 0.000 1.017 605 R CA 0.784 56.822 56.100 -0.102 0.000 1.010 605 R CB 0.093 30.355 30.300 -0.063 0.000 0.900 605 R HN 0.146 nan 8.270 nan 0.000 0.469 606 K N -0.878 119.455 120.400 -0.111 0.000 2.323 606 K HA 0.026 4.351 4.320 0.008 0.000 0.197 606 K C 0.833 177.359 176.600 -0.124 0.000 1.043 606 K CA 0.835 57.059 56.287 -0.105 0.000 0.997 606 K CB 0.671 33.117 32.500 -0.090 0.000 0.807 606 K HN 0.257 nan 8.250 nan 0.000 0.497 607 G N 0.930 109.644 108.800 -0.143 0.000 2.179 607 G HA2 -0.222 3.742 3.960 0.008 0.000 0.220 607 G HA3 -0.222 3.742 3.960 0.008 0.000 0.220 607 G C 0.431 175.245 174.900 -0.143 0.000 0.990 607 G CA 0.360 45.368 45.100 -0.154 0.000 0.646 607 G HN 0.318 nan 8.290 nan 0.000 0.517 608 D N 0.142 120.456 120.400 -0.143 0.000 2.133 608 D HA -0.071 4.574 4.640 0.008 0.000 0.195 608 D C 1.163 177.360 176.300 -0.172 0.000 0.997 608 D CA 1.053 54.964 54.000 -0.148 0.000 0.840 608 D CB 0.152 40.855 40.800 -0.162 0.000 0.947 608 D HN 0.356 nan 8.370 nan 0.000 0.452 609 I N 1.838 122.286 120.570 -0.202 0.000 2.339 609 I HA 0.063 4.238 4.170 0.008 0.000 0.290 609 I C 0.646 176.658 176.117 -0.174 0.000 0.994 609 I CA -1.151 60.026 61.300 -0.204 0.000 1.191 609 I CB 0.484 38.329 38.000 -0.259 0.000 1.343 609 I HN -0.092 nan 8.210 nan 0.000 0.458 610 N N 8.376 126.984 118.700 -0.153 0.000 1.990 610 N HA -0.128 4.617 4.740 0.008 0.000 0.291 610 N C -1.698 173.699 175.510 -0.188 0.000 1.249 610 N CA -0.182 52.773 53.050 -0.157 0.000 0.808 610 N CB 1.055 39.461 38.487 -0.135 0.000 1.040 610 N HN 0.326 nan 8.380 nan 0.000 0.484 611 P HA -0.021 nan 4.420 nan 0.000 0.225 611 P C 0.954 178.065 177.300 -0.315 0.000 1.156 611 P CA 0.702 63.613 63.100 -0.315 0.000 0.787 611 P CB 0.311 31.723 31.700 -0.480 0.000 0.802 612 E N -0.045 119.984 120.200 -0.286 0.000 2.021 612 E HA -0.108 4.247 4.350 0.008 0.000 0.200 612 E C 0.341 176.787 176.600 -0.256 0.000 1.015 612 E CA 0.850 57.073 56.400 -0.296 0.000 0.824 612 E CB -0.567 29.006 29.700 -0.212 0.000 0.762 612 E HN -0.061 nan 8.360 nan 0.000 0.454 613 V N 1.894 121.712 119.914 -0.159 0.000 2.752 613 V HA -0.126 3.999 4.120 0.008 0.000 0.306 613 V C 0.333 176.391 176.094 -0.060 0.000 1.099 613 V CA 0.771 63.019 62.300 -0.087 0.000 1.240 613 V CB 0.767 32.548 31.823 -0.070 0.000 0.887 613 V HN 0.297 nan 8.190 nan 0.000 0.499 614 S N 6.827 122.531 115.700 0.006 0.000 2.498 614 S HA 0.768 5.242 4.470 0.008 0.000 0.317 614 S C -0.875 173.777 174.600 0.087 0.000 1.090 614 S CA -0.971 57.251 58.200 0.035 0.000 1.089 614 S CB 1.261 64.482 63.200 0.034 0.000 0.997 614 S HN 0.555 nan 8.310 nan 0.000 0.470 615 M N 3.565 123.199 119.600 0.056 0.000 2.268 615 M HA 0.504 4.989 4.480 0.008 0.000 0.344 615 M C -1.289 175.054 176.300 0.072 0.000 1.106 615 M CA -0.528 54.806 55.300 0.056 0.000 1.010 615 M CB 1.320 33.929 32.600 0.015 0.000 1.649 615 M HN 0.554 nan 8.290 nan 0.000 0.443 616 I N 2.823 123.441 120.570 0.081 0.000 2.537 616 I HA 0.345 4.519 4.170 0.008 0.000 0.276 616 I C -0.265 175.885 176.117 0.054 0.000 1.063 616 I CA -0.340 61.008 61.300 0.079 0.000 1.144 616 I CB 1.032 39.094 38.000 0.103 0.000 1.252 616 I HN 0.560 nan 8.210 nan 0.000 0.480 617 R N 3.668 124.199 120.500 0.052 0.000 2.390 617 R HA 0.345 4.690 4.340 0.008 0.000 0.291 617 R C -0.498 175.825 176.300 0.039 0.000 1.070 617 R CA 0.226 56.353 56.100 0.044 0.000 1.014 617 R CB 0.639 30.968 30.300 0.048 0.000 1.007 617 R HN 0.432 nan 8.270 nan 0.000 0.466 618 D N 6.327 126.745 120.400 0.030 0.000 2.513 618 D HA 0.133 4.778 4.640 0.008 0.000 0.295 618 D C 1.119 177.434 176.300 0.025 0.000 1.202 618 D CA -0.224 53.790 54.000 0.022 0.000 0.849 618 D CB 0.511 41.314 40.800 0.004 0.000 1.116 618 D HN 0.467 nan 8.370 nan 0.000 0.502 619 I N 0.888 121.476 120.570 0.030 0.000 2.147 619 I HA -0.359 3.815 4.170 0.008 0.000 0.245 619 I C 2.066 178.201 176.117 0.029 0.000 1.059 619 I CA 1.667 62.986 61.300 0.032 0.000 1.320 619 I CB -0.614 37.404 38.000 0.030 0.000 1.021 619 I HN 0.278 nan 8.210 nan 0.000 0.415 620 R N -0.043 120.472 120.500 0.024 0.000 2.240 620 R HA -0.063 4.281 4.340 0.008 0.000 0.203 620 R C 1.673 177.987 176.300 0.023 0.000 1.011 620 R CA 0.463 56.577 56.100 0.023 0.000 1.007 620 R CB -0.074 30.237 30.300 0.019 0.000 0.911 620 R HN 0.222 nan 8.270 nan 0.000 0.468 621 E N 0.902 121.114 120.200 0.020 0.000 2.498 621 E HA 0.082 4.437 4.350 0.008 0.000 0.203 621 E C -0.595 176.022 176.600 0.028 0.000 1.013 621 E CA -0.018 56.394 56.400 0.020 0.000 0.927 621 E CB 0.216 29.918 29.700 0.003 0.000 1.012 621 E HN -0.016 nan 8.360 nan 0.000 0.482 622 K N 1.270 121.687 120.400 0.029 0.000 3.257 622 K HA -0.201 4.124 4.320 0.008 0.000 0.270 622 K C -0.915 175.697 176.600 0.022 0.000 0.984 622 K CA 0.919 57.226 56.287 0.033 0.000 0.739 622 K CB -1.100 31.425 32.500 0.042 0.000 1.351 622 K HN 0.259 nan 8.250 nan 0.000 0.463 623 E N 0.144 120.353 120.200 0.016 0.000 2.367 623 E HA 0.579 4.934 4.350 0.008 0.000 0.273 623 E C -1.253 175.361 176.600 0.022 0.000 0.903 623 E CA -1.243 55.160 56.400 0.006 0.000 0.764 623 E CB 2.096 31.766 29.700 -0.051 0.000 1.252 623 E HN 0.068 nan 8.360 nan 0.000 0.446 624 L N 1.207 122.456 121.223 0.043 0.000 2.482 624 L HA 0.373 4.717 4.340 0.008 0.000 0.269 624 L C -1.713 175.195 176.870 0.064 0.000 0.967 624 L CA -0.306 54.561 54.840 0.046 0.000 0.851 624 L CB 1.255 43.342 42.059 0.047 0.000 1.242 624 L HN 0.408 nan 8.230 nan 0.000 0.404 625 K N 6.911 127.330 120.400 0.031 0.000 2.527 625 K HA 0.511 4.835 4.320 0.008 0.000 0.240 625 K C -1.035 175.563 176.600 -0.003 0.000 0.989 625 K CA -0.552 55.735 56.287 -0.000 0.000 0.985 625 K CB 1.140 33.574 32.500 -0.109 0.000 1.221 625 K HN 0.479 nan 8.250 nan 0.000 0.458 626 I N 2.263 122.822 120.570 -0.018 0.000 2.496 626 I HA 0.202 4.377 4.170 0.008 0.000 0.285 626 I C -0.135 175.940 176.117 -0.070 0.000 1.080 626 I CA -0.015 61.282 61.300 -0.004 0.000 1.404 626 I CB 0.070 38.062 38.000 -0.012 0.000 1.403 626 I HN 0.328 nan 8.210 nan 0.000 0.539 627 F N 3.628 123.584 119.950 0.010 0.000 2.482 627 F HA 0.424 4.956 4.527 0.008 0.000 0.331 627 F C 0.741 176.532 175.800 -0.016 0.000 1.115 627 F CA -0.220 57.784 58.000 0.008 0.000 0.955 627 F CB 1.963 40.962 39.000 -0.001 0.000 1.136 627 F HN 0.425 nan 8.300 nan 0.000 0.452 628 T N 0.811 115.507 114.554 0.237 0.000 3.332 628 T HA 0.049 4.404 4.350 0.008 0.000 0.304 628 T C -0.612 174.159 174.700 0.118 0.000 0.971 628 T CA -0.385 61.785 62.100 0.115 0.000 0.954 628 T CB -0.345 68.550 68.868 0.044 0.000 1.175 628 T HN 0.405 nan 8.240 nan 0.000 0.519 629 D N 2.088 122.610 120.400 0.203 0.000 2.372 629 D HA 0.466 5.111 4.640 0.008 0.000 0.243 629 D C 0.188 176.525 176.300 0.061 0.000 1.121 629 D CA -0.169 53.915 54.000 0.139 0.000 0.898 629 D CB 0.839 41.753 40.800 0.191 0.000 1.202 629 D HN 0.292 nan 8.370 nan 0.000 0.428 630 A N 2.213 125.062 122.820 0.047 0.000 2.437 630 A HA 0.557 4.882 4.320 0.008 0.000 0.303 630 A C 0.948 178.547 177.584 0.026 0.000 1.324 630 A CA 0.329 52.386 52.037 0.034 0.000 0.983 630 A CB -0.469 18.553 19.000 0.037 0.000 1.142 630 A HN 0.783 nan 8.150 nan 0.000 0.541 631 G N 2.378 111.191 108.800 0.021 0.000 2.507 631 G HA2 -0.100 3.865 3.960 0.008 0.000 0.205 631 G HA3 -0.100 3.865 3.960 0.008 0.000 0.205 631 G C 0.153 175.027 174.900 -0.042 0.000 0.996 631 G CA -0.684 44.416 45.100 -0.000 0.000 0.776 631 G HN 0.752 nan 8.290 nan 0.000 0.532 632 R N 0.513 120.994 120.500 -0.032 0.000 2.543 632 R HA 0.511 4.856 4.340 0.008 0.000 0.277 632 R C 0.378 176.740 176.300 0.103 0.000 1.074 632 R CA -0.225 55.846 56.100 -0.048 0.000 1.076 632 R CB 1.358 31.621 30.300 -0.062 0.000 0.993 632 R HN 0.077 nan 8.270 nan 0.000 0.459 633 V N 3.414 123.363 119.914 0.058 0.000 2.743 633 V HA 0.467 4.592 4.120 0.008 0.000 0.301 633 V C -0.366 175.887 176.094 0.266 0.000 1.057 633 V CA -0.523 61.870 62.300 0.156 0.000 1.006 633 V CB 0.575 32.506 31.823 0.180 0.000 1.024 633 V HN 0.843 nan 8.190 nan 0.000 0.473 634 Y N 1.298 121.605 120.300 0.011 0.000 2.713 634 Y HA 0.865 5.420 4.550 0.008 0.000 0.335 634 Y C -0.645 175.187 175.900 -0.114 0.000 1.222 634 Y CA -1.655 56.433 58.100 -0.020 0.000 1.061 634 Y CB 1.435 39.900 38.460 0.007 0.000 1.314 634 Y HN 0.740 nan 8.280 nan 0.000 0.453 635 R N -0.664 119.749 120.500 -0.145 0.000 2.870 635 R HA 0.697 5.042 4.340 0.008 0.000 0.262 635 R C -2.862 173.230 176.300 -0.347 0.000 1.112 635 R CA -1.896 53.995 56.100 -0.348 0.000 0.976 635 R CB 1.006 31.147 30.300 -0.264 0.000 1.261 635 R HN 0.392 nan 8.270 nan 0.000 0.453 636 P HA -0.288 nan 4.420 nan 0.000 0.248 636 P C -0.184 177.000 177.300 -0.193 0.000 0.892 636 P CA 1.424 64.277 63.100 -0.411 0.000 1.091 636 P CB -0.163 31.289 31.700 -0.413 0.000 0.746 637 L N -5.559 115.577 121.223 -0.145 0.000 2.170 637 L HA 0.548 4.893 4.340 0.008 0.000 0.247 637 L C 0.413 177.203 176.870 -0.134 0.000 1.078 637 L CA -1.363 53.347 54.840 -0.217 0.000 0.936 637 L CB -0.919 41.051 42.059 -0.148 0.000 1.528 637 L HN -0.028 nan 8.230 nan 0.000 0.455 638 F N 0.087 120.036 119.950 -0.002 0.000 2.435 638 F HA 0.544 5.076 4.527 0.008 0.000 0.316 638 F C 0.441 176.277 175.800 0.061 0.000 1.220 638 F CA -0.207 57.803 58.000 0.017 0.000 1.241 638 F CB 0.663 39.675 39.000 0.021 0.000 1.234 638 F HN 0.195 nan 8.300 nan 0.000 0.569 639 I N 0.669 121.429 120.570 0.316 0.000 2.646 639 I HA 0.334 4.509 4.170 0.008 0.000 0.299 639 I C -0.537 175.681 176.117 0.168 0.000 1.036 639 I CA -0.761 60.692 61.300 0.255 0.000 1.074 639 I CB 2.115 40.229 38.000 0.189 0.000 1.258 639 I HN 0.215 nan 8.210 nan 0.000 0.430 640 V N 2.585 122.589 119.914 0.151 0.000 3.047 640 V HA 0.141 4.266 4.120 0.008 0.000 0.374 640 V C 0.175 176.322 176.094 0.088 0.000 1.399 640 V CA -0.375 61.986 62.300 0.101 0.000 1.251 640 V CB 0.182 32.061 31.823 0.094 0.000 1.228 640 V HN 0.750 nan 8.190 nan 0.000 0.589 641 E N 2.359 122.607 120.200 0.080 0.000 2.485 641 E HA -0.075 4.280 4.350 0.008 0.000 0.266 641 E C 0.749 177.387 176.600 0.064 0.000 1.090 641 E CA 0.720 57.158 56.400 0.063 0.000 0.987 641 E CB 0.539 30.273 29.700 0.057 0.000 0.974 641 E HN 0.598 nan 8.360 nan 0.000 0.455 642 D N 1.352 121.785 120.400 0.056 0.000 2.413 642 D HA -0.037 4.607 4.640 0.008 0.000 0.237 642 D C -0.765 175.555 176.300 0.032 0.000 1.171 642 D CA -0.080 53.953 54.000 0.056 0.000 0.839 642 D CB -0.211 40.621 40.800 0.054 0.000 0.950 642 D HN 0.216 nan 8.370 nan 0.000 0.499 643 D N 1.834 122.253 120.400 0.030 0.000 2.482 643 D HA 0.041 4.686 4.640 0.008 0.000 0.244 643 D C -0.096 176.202 176.300 -0.004 0.000 1.242 643 D CA 0.561 54.571 54.000 0.016 0.000 1.097 643 D CB 0.178 40.992 40.800 0.024 0.000 1.109 643 D HN 0.261 nan 8.370 nan 0.000 0.510 644 E N 0.699 120.881 120.200 -0.029 0.000 2.302 644 E HA 0.094 4.449 4.350 0.008 0.000 0.263 644 E C 0.380 176.934 176.600 -0.077 0.000 0.897 644 E CA -0.374 55.980 56.400 -0.076 0.000 0.809 644 E CB 2.142 31.744 29.700 -0.163 0.000 1.270 644 E HN 0.016 nan 8.360 nan 0.000 0.410 645 S N 2.447 118.112 115.700 -0.058 0.000 2.426 645 S HA -0.018 4.456 4.470 0.008 0.000 0.220 645 S C 1.022 175.586 174.600 -0.059 0.000 1.040 645 S CA 0.983 59.156 58.200 -0.045 0.000 1.094 645 S CB 0.055 63.236 63.200 -0.031 0.000 1.072 645 S HN 0.458 nan 8.310 nan 0.000 0.415 646 L N 1.490 122.670 121.223 -0.071 0.000 2.397 646 L HA 0.497 4.842 4.340 0.008 0.000 0.263 646 L C 0.038 176.818 176.870 -0.151 0.000 1.136 646 L CA -0.154 54.640 54.840 -0.077 0.000 1.019 646 L CB 0.349 42.380 42.059 -0.047 0.000 1.352 646 L HN 0.541 nan 8.230 nan 0.000 0.420 647 G N 2.850 111.522 108.800 -0.214 0.000 2.897 647 G HA2 0.057 4.022 3.960 0.008 0.000 0.392 647 G HA3 0.057 4.022 3.960 0.008 0.000 0.392 647 G C -0.144 174.313 174.900 -0.740 0.000 1.263 647 G CA -0.409 44.412 45.100 -0.466 0.000 1.185 647 G HN 0.860 nan 8.290 nan 0.000 0.573 648 H N -0.626 118.450 119.070 0.011 0.000 1.452 648 H HA -0.221 4.339 4.556 0.008 0.000 0.090 648 H C -0.187 175.154 175.328 0.021 0.000 2.831 648 H CA 0.957 57.013 56.048 0.014 0.000 1.901 648 H CB -0.444 29.326 29.762 0.013 0.000 2.257 648 H HN 0.789 nan 8.280 nan 0.000 0.961 649 K N 1.282 121.891 120.400 0.349 0.000 2.221 649 K HA 0.436 4.761 4.320 0.008 0.000 0.258 649 K C -0.603 176.188 176.600 0.320 0.000 0.944 649 K CA -0.308 56.118 56.287 0.232 0.000 0.823 649 K CB 1.649 34.238 32.500 0.150 0.000 1.113 649 K HN 0.530 nan 8.250 nan 0.000 0.431 650 E N 2.779 123.105 120.200 0.210 0.000 2.430 650 E HA 0.308 4.663 4.350 0.008 0.000 0.279 650 E C -1.568 175.092 176.600 0.100 0.000 1.003 650 E CA -0.694 55.815 56.400 0.181 0.000 0.801 650 E CB 0.921 30.738 29.700 0.196 0.000 1.313 650 E HN 0.413 nan 8.360 nan 0.000 0.459 651 L N 2.821 124.078 121.223 0.057 0.000 2.461 651 L HA 0.244 4.589 4.340 0.008 0.000 0.272 651 L C 1.638 178.522 176.870 0.024 0.000 1.197 651 L CA 0.131 54.976 54.840 0.009 0.000 0.836 651 L CB 0.365 42.373 42.059 -0.084 0.000 1.105 651 L HN 0.620 nan 8.230 nan 0.000 0.477 652 K N 1.534 121.955 120.400 0.035 0.000 1.984 652 K HA -0.018 4.307 4.320 0.008 0.000 0.209 652 K C 0.299 176.954 176.600 0.093 0.000 1.046 652 K CA 0.758 57.081 56.287 0.061 0.000 0.934 652 K CB 0.018 32.554 32.500 0.060 0.000 0.717 652 K HN 0.415 nan 8.250 nan 0.000 0.438 653 V N 2.875 122.828 119.914 0.065 0.000 2.928 653 V HA -0.069 4.055 4.120 0.008 0.000 0.307 653 V C 0.697 176.862 176.094 0.118 0.000 1.105 653 V CA 0.325 62.737 62.300 0.187 0.000 1.223 653 V CB 0.235 32.070 31.823 0.021 0.000 0.930 653 V HN 0.309 nan 8.190 nan 0.000 0.499 654 R N 2.255 122.846 120.500 0.152 0.000 3.045 654 R HA 0.442 4.787 4.340 0.008 0.000 0.245 654 R C 0.971 177.242 176.300 -0.048 0.000 1.333 654 R CA -1.036 55.045 56.100 -0.032 0.000 1.036 654 R CB 0.486 30.713 30.300 -0.121 0.000 1.340 654 R HN 0.546 nan 8.270 nan 0.000 0.488 655 K N 0.645 121.009 120.400 -0.061 0.000 2.283 655 K HA -0.051 4.274 4.320 0.008 0.000 0.202 655 K C 1.676 178.230 176.600 -0.077 0.000 1.048 655 K CA 1.398 57.662 56.287 -0.037 0.000 0.948 655 K CB -0.319 32.166 32.500 -0.023 0.000 0.742 655 K HN 0.698 nan 8.250 nan 0.000 0.458 656 G N 0.727 109.420 108.800 -0.179 0.000 2.459 656 G HA2 -0.254 3.711 3.960 0.008 0.000 0.217 656 G HA3 -0.254 3.711 3.960 0.008 0.000 0.217 656 G C 1.225 175.983 174.900 -0.238 0.000 1.183 656 G CA 0.775 45.721 45.100 -0.256 0.000 0.776 656 G HN 0.360 nan 8.290 nan 0.000 0.552 657 H N -0.219 118.824 119.070 -0.045 0.000 2.395 657 H HA 0.028 4.589 4.556 0.008 0.000 0.299 657 H C 2.588 177.925 175.328 0.015 0.000 1.070 657 H CA 0.856 56.870 56.048 -0.057 0.000 1.356 657 H CB -0.354 29.461 29.762 0.088 0.000 1.401 657 H HN 0.281 nan 8.280 nan 0.000 0.524 658 I N 1.489 122.153 120.570 0.157 0.000 2.151 658 I HA -0.248 3.927 4.170 0.008 0.000 0.243 658 I C 2.527 178.718 176.117 0.125 0.000 1.080 658 I CA 1.333 62.730 61.300 0.162 0.000 1.339 658 I CB -0.577 37.501 38.000 0.130 0.000 1.039 658 I HN 0.187 nan 8.210 nan 0.000 0.409 659 A N -0.434 122.418 122.820 0.053 0.000 1.933 659 A HA -0.227 4.097 4.320 0.008 0.000 0.218 659 A C 2.316 179.921 177.584 0.035 0.000 1.175 659 A CA 1.676 53.736 52.037 0.039 0.000 0.628 659 A CB -0.575 18.426 19.000 0.001 0.000 0.814 659 A HN 0.443 nan 8.150 nan 0.000 0.444 660 K N -0.521 119.857 120.400 -0.038 0.000 2.211 660 K HA 0.031 4.355 4.320 0.008 0.000 0.203 660 K C 1.649 178.309 176.600 0.099 0.000 1.050 660 K CA 0.948 57.177 56.287 -0.097 0.000 0.945 660 K CB -0.269 31.937 32.500 -0.489 0.000 0.732 660 K HN 0.456 nan 8.250 nan 0.000 0.451 661 L N 0.194 121.547 121.223 0.217 0.000 2.156 661 L HA -0.062 4.282 4.340 0.008 0.000 0.208 661 L C 2.156 179.173 176.870 0.245 0.000 1.095 661 L CA 0.969 56.012 54.840 0.337 0.000 0.770 661 L CB -0.081 42.193 42.059 0.359 0.000 0.914 661 L HN 0.208 nan 8.230 nan 0.000 0.439 662 M N -1.331 118.387 119.600 0.196 0.000 2.556 662 M HA 0.050 4.535 4.480 0.008 0.000 0.245 662 M C 2.171 178.585 176.300 0.191 0.000 1.128 662 M CA 0.515 55.925 55.300 0.183 0.000 1.069 662 M CB -0.142 32.551 32.600 0.153 0.000 1.469 662 M HN 0.215 nan 8.290 nan 0.000 0.494 663 A N 0.544 123.471 122.820 0.178 0.000 2.015 663 A HA -0.081 4.244 4.320 0.008 0.000 0.219 663 A C 2.142 179.838 177.584 0.187 0.000 1.163 663 A CA 1.743 53.902 52.037 0.204 0.000 0.646 663 A CB -0.820 18.271 19.000 0.152 0.000 0.806 663 A HN 0.435 nan 8.150 nan 0.000 0.448 664 T N -0.552 114.106 114.554 0.172 0.000 2.904 664 T HA -0.057 4.298 4.350 0.008 0.000 0.267 664 T C 1.675 176.450 174.700 0.125 0.000 1.059 664 T CA 1.270 63.455 62.100 0.140 0.000 1.137 664 T CB -0.069 68.895 68.868 0.160 0.000 0.879 664 T HN 0.598 nan 8.240 nan 0.000 0.467 665 E N 0.099 120.395 120.200 0.161 0.000 2.112 665 E HA -0.048 4.306 4.350 0.008 0.000 0.190 665 E C 1.820 178.520 176.600 0.166 0.000 0.979 665 E CA 0.500 56.993 56.400 0.155 0.000 0.814 665 E CB -0.117 29.688 29.700 0.175 0.000 0.762 665 E HN 0.552 nan 8.360 nan 0.000 0.460 666 Y N 1.431 121.773 120.300 0.070 0.000 2.421 666 Y HA -0.103 4.451 4.550 0.008 0.000 0.292 666 Y C 1.328 177.256 175.900 0.047 0.000 1.136 666 Y CA 1.137 59.270 58.100 0.055 0.000 1.255 666 Y CB 0.059 38.549 38.460 0.051 0.000 0.991 666 Y HN -0.120 nan 8.280 nan 0.000 0.552 667 Q N 1.544 121.232 119.800 -0.187 0.000 2.640 667 Q HA 0.230 4.575 4.340 0.008 0.000 0.389 667 Q C -1.244 174.692 176.000 -0.107 0.000 1.012 667 Q CA -0.312 55.329 55.803 -0.269 0.000 1.060 667 Q CB -0.017 28.606 28.738 -0.192 0.000 1.332 667 Q HN 0.351 nan 8.270 nan 0.000 0.418 679 Y N 4.387 124.730 120.300 0.071 0.000 2.724 679 Y HA 0.292 4.847 4.550 0.008 0.000 0.332 679 Y C 0.393 176.354 175.900 0.102 0.000 1.276 679 Y CA 0.300 58.447 58.100 0.079 0.000 1.597 679 Y CB 0.344 38.858 38.460 0.090 0.000 1.584 679 Y HN 0.198 nan 8.280 nan 0.000 0.478 680 T N 1.073 115.575 114.554 -0.086 0.000 2.824 680 T HA -0.054 4.301 4.350 0.008 0.000 0.277 680 T C 1.247 175.934 174.700 -0.022 0.000 0.975 680 T CA -0.570 61.534 62.100 0.006 0.000 0.966 680 T CB 0.455 69.343 68.868 0.033 0.000 1.054 680 T HN 0.811 nan 8.240 nan 0.000 0.533 681 W N 0.921 122.184 121.300 -0.062 0.000 2.318 681 W HA -0.198 4.467 4.660 0.008 0.000 0.313 681 W C 2.073 178.554 176.519 -0.064 0.000 1.221 681 W CA 1.737 59.067 57.345 -0.025 0.000 1.266 681 W CB -0.761 28.729 29.460 0.049 0.000 1.150 681 W HN 0.685 nan 8.180 nan 0.000 0.496 682 S N 0.345 116.046 115.700 0.002 0.000 2.419 682 S HA -0.201 4.273 4.470 0.008 0.000 0.233 682 S C 1.934 176.369 174.600 -0.276 0.000 1.016 682 S CA 1.800 59.908 58.200 -0.154 0.000 0.974 682 S CB -0.416 62.770 63.200 -0.023 0.000 0.786 682 S HN 0.451 nan 8.310 nan 0.000 0.492 683 S N 0.530 116.042 115.700 -0.312 0.000 2.562 683 S HA 0.198 4.673 4.470 0.008 0.000 0.221 683 S C 1.582 175.830 174.600 -0.585 0.000 0.975 683 S CA 0.129 58.070 58.200 -0.433 0.000 0.918 683 S CB -0.291 62.607 63.200 -0.503 0.000 0.772 683 S HN 0.417 nan 8.310 nan 0.000 0.531 684 L N -0.076 120.814 121.223 -0.555 0.000 2.131 684 L HA 0.147 4.491 4.340 0.008 0.000 0.206 684 L C 2.442 179.047 176.870 -0.440 0.000 1.087 684 L CA 0.610 55.176 54.840 -0.457 0.000 0.767 684 L CB -0.369 41.418 42.059 -0.454 0.000 0.917 684 L HN 0.326 nan 8.230 nan 0.000 0.441 685 L N -0.002 120.896 121.223 -0.541 0.000 2.044 685 L HA -0.132 4.212 4.340 0.008 0.000 0.205 685 L C 2.228 178.915 176.870 -0.305 0.000 1.075 685 L CA 1.745 56.303 54.840 -0.469 0.000 0.747 685 L CB -0.661 41.080 42.059 -0.529 0.000 0.903 685 L HN 0.250 nan 8.230 nan 0.000 0.435 686 N N -0.302 118.238 118.700 -0.266 0.000 2.270 686 N HA -0.148 4.597 4.740 0.008 0.000 0.181 686 N C 1.369 176.789 175.510 -0.150 0.000 1.016 686 N CA 1.120 54.057 53.050 -0.189 0.000 0.870 686 N CB -0.121 38.271 38.487 -0.159 0.000 0.979 686 N HN 0.549 nan 8.380 nan 0.000 0.431 687 E N 0.618 120.722 120.200 -0.161 0.000 2.511 687 E HA 0.042 4.397 4.350 0.008 0.000 0.196 687 E C 0.226 176.757 176.600 -0.116 0.000 1.066 687 E CA -0.224 56.108 56.400 -0.113 0.000 0.871 687 E CB -0.109 29.531 29.700 -0.101 0.000 0.863 687 E HN 0.301 nan 8.360 nan 0.000 0.520 688 G N 1.790 110.505 108.800 -0.142 0.000 2.354 688 G HA2 -0.249 3.716 3.960 0.008 0.000 0.278 688 G HA3 -0.249 3.716 3.960 0.008 0.000 0.278 688 G C 0.374 175.220 174.900 -0.089 0.000 0.953 688 G CA 0.170 45.200 45.100 -0.115 0.000 1.346 688 G HN 0.299 nan 8.290 nan 0.000 0.467 689 L N -0.855 120.299 121.223 -0.115 0.000 2.781 689 L HA 0.330 4.675 4.340 0.008 0.000 0.245 689 L C 0.494 177.382 176.870 0.029 0.000 1.118 689 L CA -0.013 54.802 54.840 -0.042 0.000 0.918 689 L CB 0.633 42.644 42.059 -0.081 0.000 1.246 689 L HN 0.247 nan 8.230 nan 0.000 0.526 690 V N -0.230 119.637 119.914 -0.079 0.000 2.841 690 V HA 0.379 4.504 4.120 0.008 0.000 0.310 690 V C -0.838 175.219 176.094 -0.061 0.000 1.090 690 V CA -0.665 61.587 62.300 -0.080 0.000 0.930 690 V CB 2.952 34.580 31.823 -0.325 0.000 1.014 690 V HN 0.046 nan 8.190 nan 0.000 0.425 691 E N 1.555 121.755 120.200 -0.000 0.000 2.277 691 E HA 0.520 4.874 4.350 0.008 0.000 0.266 691 E C -1.643 175.091 176.600 0.224 0.000 0.901 691 E CA -0.766 55.657 56.400 0.038 0.000 0.782 691 E CB 2.321 31.985 29.700 -0.060 0.000 1.228 691 E HN 0.674 nan 8.360 nan 0.000 0.424 692 Y N 2.665 122.953 120.300 -0.020 0.000 2.336 692 Y HA 0.281 4.836 4.550 0.008 0.000 0.335 692 Y C 0.172 176.089 175.900 0.029 0.000 1.046 692 Y CA -0.732 57.424 58.100 0.093 0.000 1.198 692 Y CB 0.765 39.296 38.460 0.119 0.000 1.182 692 Y HN 0.179 nan 8.280 nan 0.000 0.502 693 I N 4.558 125.231 120.570 0.171 0.000 2.465 693 I HA 0.150 4.324 4.170 0.008 0.000 0.291 693 I C -0.443 175.768 176.117 0.156 0.000 1.014 693 I CA -0.623 60.732 61.300 0.092 0.000 1.093 693 I CB 1.803 39.799 38.000 -0.007 0.000 1.267 693 I HN 0.695 nan 8.210 nan 0.000 0.431 694 D N 5.019 125.500 120.400 0.134 0.000 2.384 694 D HA 0.400 5.044 4.640 0.008 0.000 0.250 694 D C 0.615 176.991 176.300 0.127 0.000 1.029 694 D CA -0.445 53.644 54.000 0.149 0.000 0.990 694 D CB 2.596 43.459 40.800 0.106 0.000 1.175 694 D HN 0.504 nan 8.370 nan 0.000 0.532 695 A N 0.957 123.865 122.820 0.146 0.000 1.972 695 A HA -0.203 4.122 4.320 0.008 0.000 0.219 695 A C 1.951 179.669 177.584 0.223 0.000 1.169 695 A CA 1.888 54.038 52.037 0.189 0.000 0.635 695 A CB -0.696 18.443 19.000 0.231 0.000 0.810 695 A HN 0.705 nan 8.150 nan 0.000 0.446 696 E N 0.185 120.463 120.200 0.131 0.000 2.051 696 E HA -0.214 4.141 4.350 0.008 0.000 0.192 696 E C 1.959 178.613 176.600 0.091 0.000 0.991 696 E CA 1.853 58.296 56.400 0.072 0.000 0.799 696 E CB -0.251 29.390 29.700 -0.098 0.000 0.748 696 E HN 0.730 nan 8.360 nan 0.000 0.449 697 E N -0.041 120.213 120.200 0.089 0.000 2.107 697 E HA -0.191 4.163 4.350 0.008 0.000 0.191 697 E C 1.964 178.638 176.600 0.124 0.000 0.982 697 E CA 0.839 57.299 56.400 0.101 0.000 0.809 697 E CB -0.124 29.631 29.700 0.092 0.000 0.756 697 E HN 0.329 nan 8.360 nan 0.000 0.459 698 E N 0.534 120.814 120.200 0.133 0.000 2.172 698 E HA -0.293 4.062 4.350 0.008 0.000 0.213 698 E C 1.817 178.500 176.600 0.137 0.000 1.051 698 E CA 1.687 58.174 56.400 0.145 0.000 0.860 698 E CB -0.004 29.787 29.700 0.152 0.000 0.755 698 E HN 0.259 nan 8.360 nan 0.000 0.462 699 E N -0.497 119.789 120.200 0.143 0.000 2.339 699 E HA -0.179 4.176 4.350 0.008 0.000 0.201 699 E C 1.682 178.339 176.600 0.094 0.000 1.015 699 E CA 1.420 57.896 56.400 0.127 0.000 0.841 699 E CB -0.086 29.688 29.700 0.124 0.000 0.754 699 E HN 0.313 nan 8.360 nan 0.000 0.508 700 S N -0.504 115.255 115.700 0.098 0.000 2.650 700 S HA 0.156 4.631 4.470 0.008 0.000 0.240 700 S C 0.691 175.342 174.600 0.086 0.000 1.007 700 S CA -0.685 57.564 58.200 0.082 0.000 0.984 700 S CB 0.110 63.357 63.200 0.078 0.000 0.910 700 S HN 0.184 nan 8.310 nan 0.000 0.509 701 I N -0.636 120.000 120.570 0.109 0.000 3.133 701 I HA 0.790 4.965 4.170 0.008 0.000 0.311 701 I C -1.619 174.547 176.117 0.081 0.000 1.072 701 I CA -1.596 59.764 61.300 0.100 0.000 1.015 701 I CB 1.777 39.922 38.000 0.242 0.000 1.233 701 I HN 0.187 nan 8.210 nan 0.000 0.473 702 L N 3.892 125.155 121.223 0.066 0.000 2.406 702 L HA 0.589 4.934 4.340 0.008 0.000 0.270 702 L C -1.197 175.805 176.870 0.221 0.000 0.982 702 L CA -0.226 54.700 54.840 0.144 0.000 0.843 702 L CB 0.940 43.083 42.059 0.140 0.000 1.225 702 L HN 0.531 nan 8.230 nan 0.000 0.412 703 I N 3.742 124.414 120.570 0.171 0.000 2.577 703 I HA 0.793 4.968 4.170 0.008 0.000 0.305 703 I C 0.185 176.200 176.117 -0.170 0.000 0.986 703 I CA -0.789 60.536 61.300 0.043 0.000 1.189 703 I CB 1.898 39.936 38.000 0.064 0.000 1.355 703 I HN 0.737 nan 8.210 nan 0.000 0.476 704 A N 4.373 126.889 122.820 -0.507 0.000 2.350 704 A HA 0.604 4.929 4.320 0.008 0.000 0.324 704 A C 0.207 177.604 177.584 -0.312 0.000 1.118 704 A CA -0.590 50.988 52.037 -0.765 0.000 0.783 704 A CB 1.583 19.668 19.000 -1.524 0.000 1.236 704 A HN 0.798 nan 8.150 nan 0.000 0.457 705 M N 0.734 120.206 119.600 -0.214 0.000 2.095 705 M HA 0.047 4.532 4.480 0.008 0.000 0.257 705 M C 0.912 177.140 176.300 -0.121 0.000 1.089 705 M CA 1.773 56.991 55.300 -0.136 0.000 1.138 705 M CB -0.188 32.332 32.600 -0.133 0.000 1.303 705 M HN 0.743 nan 8.290 nan 0.000 0.422 706 Q N 1.074 120.811 119.800 -0.105 0.000 2.294 706 Q HA 0.159 4.504 4.340 0.008 0.000 0.257 706 Q C -1.788 174.179 176.000 -0.054 0.000 0.955 706 Q CA -1.701 54.070 55.803 -0.053 0.000 0.936 706 Q CB 0.970 29.695 28.738 -0.023 0.000 1.188 706 Q HN 0.221 nan 8.270 nan 0.000 0.420 707 P HA -0.247 nan 4.420 nan 0.000 0.218 707 P C 0.316 177.607 177.300 -0.016 0.000 1.149 707 P CA 1.335 64.412 63.100 -0.037 0.000 0.817 707 P CB 0.365 32.045 31.700 -0.033 0.000 0.785 708 E N 0.490 120.698 120.200 0.014 0.000 3.033 708 E HA -0.110 4.245 4.350 0.008 0.000 0.420 708 E C 1.412 178.037 176.600 0.042 0.000 0.478 708 E CA 0.101 56.520 56.400 0.031 0.000 2.555 708 E CB -1.302 28.428 29.700 0.050 0.000 1.927 708 E HN -0.176 nan 8.360 nan 0.000 0.499 709 D N 0.126 120.556 120.400 0.051 0.000 2.664 709 D HA -0.191 4.454 4.640 0.008 0.000 0.195 709 D C 1.451 177.808 176.300 0.095 0.000 1.063 709 D CA 0.975 55.015 54.000 0.067 0.000 0.935 709 D CB -0.132 40.685 40.800 0.029 0.000 0.877 709 D HN 0.215 nan 8.370 nan 0.000 0.464 710 L N -0.014 121.245 121.223 0.060 0.000 2.627 710 L HA 0.051 4.395 4.340 0.008 0.000 0.232 710 L C 0.380 177.410 176.870 0.266 0.000 1.150 710 L CA 0.805 55.708 54.840 0.105 0.000 0.917 710 L CB -0.355 41.697 42.059 -0.012 0.000 1.104 710 L HN 0.256 nan 8.230 nan 0.000 0.445 711 E N -2.197 118.125 120.200 0.202 0.000 3.194 711 E HA 0.128 4.483 4.350 0.008 0.000 0.114 711 E C -2.563 174.017 176.600 -0.033 0.000 0.882 711 E CA -0.516 55.964 56.400 0.133 0.000 1.545 711 E CB -0.429 29.371 29.700 0.167 0.000 0.986 711 E HN 0.130 nan 8.360 nan 0.000 0.357 712 P HA 0.477 nan 4.420 nan 0.000 0.341 712 P C 0.373 177.568 177.300 -0.174 0.000 1.349 712 P CA -0.159 62.859 63.100 -0.137 0.000 0.830 712 P CB 0.144 31.816 31.700 -0.047 0.000 1.986 713 A N -0.601 122.138 122.820 -0.134 0.000 2.251 713 A HA 0.252 4.576 4.320 0.008 0.000 0.277 713 A C 0.339 177.820 177.584 -0.172 0.000 1.313 713 A CA 0.301 52.260 52.037 -0.129 0.000 0.813 713 A CB -0.621 18.339 19.000 -0.068 0.000 1.210 713 A HN 0.454 nan 8.150 nan 0.000 0.509 714 E N -0.818 119.296 120.200 -0.144 0.000 3.117 714 E HA 0.475 4.829 4.350 0.008 0.000 0.262 714 E C -0.299 176.255 176.600 -0.077 0.000 1.202 714 E CA -0.124 56.183 56.400 -0.155 0.000 0.853 714 E CB 0.868 30.443 29.700 -0.208 0.000 1.426 714 E HN 0.778 nan 8.360 nan 0.000 0.387 723 V N 0.464 120.397 119.914 0.031 0.000 2.409 723 V HA 0.525 4.649 4.120 0.008 0.000 0.290 723 V C -0.541 175.574 176.094 0.035 0.000 1.017 723 V CA -0.878 61.443 62.300 0.034 0.000 0.841 723 V CB 1.739 33.583 31.823 0.034 0.000 1.003 723 V HN -0.047 nan 8.190 nan 0.000 0.426 724 D N 6.902 127.325 120.400 0.038 0.000 2.402 724 D HA 0.166 4.811 4.640 0.008 0.000 0.268 724 D C -1.387 174.937 176.300 0.040 0.000 1.294 724 D CA -1.153 52.871 54.000 0.040 0.000 0.945 724 D CB 1.887 42.714 40.800 0.045 0.000 1.112 724 D HN 0.457 nan 8.370 nan 0.000 0.517 725 P HA -0.034 nan 4.420 nan 0.000 0.231 725 P C 0.682 178.005 177.300 0.039 0.000 1.158 725 P CA 0.505 63.626 63.100 0.035 0.000 0.763 725 P CB 0.356 32.074 31.700 0.030 0.000 0.805 726 A N -0.430 122.415 122.820 0.042 0.000 1.975 726 A HA -0.031 4.294 4.320 0.008 0.000 0.215 726 A C 1.125 178.744 177.584 0.060 0.000 1.170 726 A CA 0.625 52.690 52.037 0.046 0.000 0.656 726 A CB -0.496 18.530 19.000 0.044 0.000 0.821 726 A HN 0.141 nan 8.150 nan 0.000 0.449 727 K N 1.306 121.743 120.400 0.063 0.000 2.319 727 K HA 0.209 4.533 4.320 0.008 0.000 0.265 727 K C 0.117 176.760 176.600 0.072 0.000 1.000 727 K CA -0.367 55.965 56.287 0.076 0.000 0.943 727 K CB 0.500 33.043 32.500 0.072 0.000 0.950 727 K HN 0.550 nan 8.250 nan 0.000 0.485 728 R N 1.198 121.748 120.500 0.082 0.000 2.840 728 R HA 0.211 4.555 4.340 0.008 0.000 0.282 728 R C 0.110 176.442 176.300 0.053 0.000 1.133 728 R CA -0.463 55.678 56.100 0.069 0.000 1.208 728 R CB 0.063 30.406 30.300 0.073 0.000 1.160 728 R HN 0.383 nan 8.270 nan 0.000 0.576 729 I N 1.190 121.786 120.570 0.043 0.000 2.330 729 I HA 0.303 4.478 4.170 0.008 0.000 0.286 729 I C 0.212 176.344 176.117 0.024 0.000 1.025 729 I CA -0.624 60.695 61.300 0.033 0.000 1.197 729 I CB 0.872 38.890 38.000 0.030 0.000 1.358 729 I HN 0.574 nan 8.210 nan 0.000 0.467 730 R N 4.003 124.511 120.500 0.014 0.000 2.349 730 R HA 0.431 4.775 4.340 0.008 0.000 0.299 730 R C 0.838 177.125 176.300 -0.023 0.000 1.027 730 R CA -0.413 55.683 56.100 -0.007 0.000 0.958 730 R CB 1.671 31.960 30.300 -0.019 0.000 1.047 730 R HN 0.471 nan 8.270 nan 0.000 0.468 731 V N 1.522 121.421 119.914 -0.026 0.000 2.244 731 V HA -0.139 3.985 4.120 0.008 0.000 0.235 731 V C 0.617 176.691 176.094 -0.034 0.000 1.026 731 V CA 1.402 63.696 62.300 -0.009 0.000 0.990 731 V CB -0.537 31.288 31.823 0.004 0.000 0.640 731 V HN 0.808 nan 8.190 nan 0.000 0.463 732 S N -2.783 112.864 115.700 -0.088 0.000 2.714 732 S HA 0.424 4.898 4.470 0.008 0.000 0.280 732 S C 0.022 174.447 174.600 -0.291 0.000 1.200 732 S CA -0.322 57.755 58.200 -0.205 0.000 0.900 732 S CB 0.962 64.020 63.200 -0.236 0.000 1.235 732 S HN 0.593 nan 8.310 nan 0.000 0.512 733 H N -0.198 118.764 119.070 -0.179 0.000 2.705 733 H HA 0.332 4.893 4.556 0.008 0.000 0.269 733 H C 0.564 175.836 175.328 -0.094 0.000 0.998 733 H CA 0.009 56.018 56.048 -0.064 0.000 1.193 733 H CB -0.104 29.609 29.762 -0.082 0.000 1.485 733 H HN 0.439 nan 8.280 nan 0.000 0.521 734 H N 0.879 119.989 119.070 0.068 0.000 2.937 734 H HA 0.057 4.618 4.556 0.008 0.000 0.294 734 H C 0.313 175.569 175.328 -0.120 0.000 1.098 734 H CA 0.880 56.918 56.048 -0.018 0.000 1.268 734 H CB -0.867 28.888 29.762 -0.011 0.000 1.342 734 H HN 0.449 nan 8.280 nan 0.000 0.673 735 A N -0.912 121.797 122.820 -0.186 0.000 2.423 735 A HA 0.550 4.874 4.320 0.008 0.000 0.304 735 A C 0.707 177.977 177.584 -0.523 0.000 1.104 735 A CA -0.502 51.287 52.037 -0.414 0.000 0.757 735 A CB 1.545 20.141 19.000 -0.673 0.000 1.313 735 A HN 0.168 nan 8.150 nan 0.000 0.423 736 T N 0.180 114.497 114.554 -0.396 0.000 3.192 736 T HA 0.129 4.484 4.350 0.008 0.000 0.295 736 T C 0.809 175.401 174.700 -0.180 0.000 0.947 736 T CA 0.796 62.749 62.100 -0.244 0.000 0.916 736 T CB 0.077 68.871 68.868 -0.123 0.000 1.169 736 T HN 0.810 nan 8.240 nan 0.000 0.540 737 T N -0.612 113.803 114.554 -0.232 0.000 2.959 737 T HA 0.363 4.718 4.350 0.008 0.000 0.254 737 T C 0.710 175.413 174.700 0.006 0.000 1.003 737 T CA -0.473 61.574 62.100 -0.089 0.000 0.950 737 T CB -0.417 68.409 68.868 -0.070 0.000 1.090 737 T HN 0.361 nan 8.240 nan 0.000 0.503 738 F N 3.857 123.793 119.950 -0.024 0.000 1.991 738 F HA -0.226 4.306 4.527 0.008 0.000 0.466 738 F C 2.113 177.861 175.800 -0.085 0.000 0.832 738 F CA 0.369 58.345 58.000 -0.039 0.000 1.007 738 F CB 0.011 39.009 39.000 -0.004 0.000 0.782 738 F HN 0.331 nan 8.300 nan 0.000 0.503 739 T N 0.172 114.720 114.554 -0.010 0.000 2.953 739 T HA 0.085 4.440 4.350 0.008 0.000 0.247 739 T C 0.252 174.747 174.700 -0.340 0.000 1.029 739 T CA 0.609 62.520 62.100 -0.315 0.000 1.144 739 T CB 0.051 68.450 68.868 -0.781 0.000 0.870 739 T HN 0.620 nan 8.240 nan 0.000 0.446 740 H N -1.269 117.861 119.070 0.100 0.000 2.834 740 H HA 0.745 5.306 4.556 0.008 0.000 0.369 740 H C -1.108 174.213 175.328 -0.011 0.000 1.174 740 H CA -1.217 54.870 56.048 0.066 0.000 1.165 740 H CB 1.744 31.549 29.762 0.071 0.000 1.820 740 H HN 0.296 nan 8.280 nan 0.000 0.558 741 C N 0.920 120.324 119.300 0.173 0.000 2.719 741 C HA 0.451 4.916 4.460 0.008 0.000 0.327 741 C C -0.217 174.850 174.990 0.128 0.000 1.238 741 C CA -0.302 58.754 59.018 0.062 0.000 1.727 741 C CB 1.297 29.094 27.740 0.095 0.000 2.256 741 C HN 0.885 nan 8.230 nan 0.000 0.489 742 E N 1.405 121.640 120.200 0.059 0.000 2.277 742 E HA 0.347 4.702 4.350 0.008 0.000 0.274 742 E C 0.889 177.474 176.600 -0.026 0.000 1.022 742 E CA -0.331 56.071 56.400 0.004 0.000 0.853 742 E CB 0.634 30.332 29.700 -0.002 0.000 1.086 742 E HN 0.458 nan 8.360 nan 0.000 0.397 743 I N 1.534 121.952 120.570 -0.254 0.000 2.110 743 I HA -0.109 4.065 4.170 0.008 0.000 0.236 743 I C 0.567 176.575 176.117 -0.181 0.000 1.068 743 I CA 1.514 62.554 61.300 -0.435 0.000 1.333 743 I CB -0.840 36.809 38.000 -0.583 0.000 1.054 743 I HN 0.572 nan 8.210 nan 0.000 0.402 744 H N -0.969 117.892 119.070 -0.348 0.000 3.086 744 H HA 0.262 4.823 4.556 0.008 0.000 0.353 744 H C -2.174 173.039 175.328 -0.191 0.000 1.134 744 H CA -0.993 54.874 56.048 -0.301 0.000 1.248 744 H CB 2.250 31.644 29.762 -0.613 0.000 1.878 744 H HN -0.254 nan 8.280 nan 0.000 0.527 745 P HA -0.138 nan 4.420 nan 0.000 0.218 745 P C 1.276 178.527 177.300 -0.083 0.000 1.149 745 P CA 1.751 64.665 63.100 -0.311 0.000 0.817 745 P CB 0.193 31.556 31.700 -0.561 0.000 0.785 746 S N -1.078 114.774 115.700 0.252 0.000 2.461 746 S HA -0.209 4.266 4.470 0.008 0.000 0.249 746 S C 1.625 176.345 174.600 0.200 0.000 1.012 746 S CA 1.288 59.762 58.200 0.457 0.000 0.982 746 S CB -1.181 62.447 63.200 0.715 0.000 0.764 746 S HN 0.065 nan 8.310 nan 0.000 0.506 747 M N 1.064 120.681 119.600 0.028 0.000 2.495 747 M HA 0.304 4.789 4.480 0.008 0.000 0.237 747 M C 1.612 177.788 176.300 -0.207 0.000 1.131 747 M CA 0.234 55.496 55.300 -0.063 0.000 1.032 747 M CB -0.907 31.610 32.600 -0.138 0.000 1.513 747 M HN 0.536 nan 8.290 nan 0.000 0.488 748 I N -1.880 118.495 120.570 -0.325 0.000 2.916 748 I HA -0.043 4.132 4.170 0.008 0.000 0.267 748 I C 0.882 176.839 176.117 -0.267 0.000 1.263 748 I CA 0.550 61.556 61.300 -0.490 0.000 1.471 748 I CB -0.549 36.954 38.000 -0.829 0.000 1.089 748 I HN 0.009 nan 8.210 nan 0.000 0.468 749 L N 1.044 122.188 121.223 -0.132 0.000 2.454 749 L HA 0.648 4.992 4.340 0.008 0.000 0.256 749 L C 0.710 177.542 176.870 -0.064 0.000 1.136 749 L CA -0.449 54.347 54.840 -0.074 0.000 0.804 749 L CB 0.726 42.775 42.059 -0.015 0.000 1.181 749 L HN 0.215 nan 8.230 nan 0.000 0.469 750 G N -0.973 107.793 108.800 -0.057 0.000 2.481 750 G HA2 0.405 4.370 3.960 0.008 0.000 0.315 750 G HA3 0.405 4.370 3.960 0.008 0.000 0.315 750 G C 0.563 175.444 174.900 -0.032 0.000 1.231 750 G CA -0.533 44.541 45.100 -0.043 0.000 0.968 750 G HN 0.463 nan 8.290 nan 0.000 0.482 751 V N 0.815 120.719 119.914 -0.016 0.000 2.402 751 V HA -0.432 3.693 4.120 0.008 0.000 0.257 751 V C 2.652 178.723 176.094 -0.038 0.000 1.182 751 V CA 3.878 66.166 62.300 -0.019 0.000 1.102 751 V CB -0.560 31.253 31.823 -0.017 0.000 0.903 751 V HN 1.044 nan 8.190 nan 0.000 0.458 752 A N -2.452 120.340 122.820 -0.047 0.000 2.035 752 A HA 0.491 4.816 4.320 0.008 0.000 0.208 752 A C 2.120 179.655 177.584 -0.082 0.000 1.206 752 A CA 1.205 53.209 52.037 -0.056 0.000 0.773 752 A CB -0.331 18.644 19.000 -0.042 0.000 0.878 752 A HN 0.856 nan 8.150 nan 0.000 0.469 753 A N -0.506 122.270 122.820 -0.073 0.000 2.067 753 A HA 0.063 4.388 4.320 0.008 0.000 0.217 753 A C 2.109 179.634 177.584 -0.098 0.000 1.156 753 A CA 1.532 53.522 52.037 -0.079 0.000 0.683 753 A CB -0.583 18.383 19.000 -0.058 0.000 0.808 753 A HN 0.342 nan 8.150 nan 0.000 0.455 754 S N -0.178 115.469 115.700 -0.089 0.000 2.537 754 S HA 0.003 4.478 4.470 0.008 0.000 0.240 754 S C 1.248 175.733 174.600 -0.191 0.000 0.981 754 S CA 0.560 58.703 58.200 -0.096 0.000 0.948 754 S CB -0.223 62.950 63.200 -0.045 0.000 0.759 754 S HN 0.454 nan 8.310 nan 0.000 0.531 755 I N 0.952 121.379 120.570 -0.239 0.000 3.883 755 I HA 0.265 4.440 4.170 0.008 0.000 0.326 755 I C 0.211 176.132 176.117 -0.326 0.000 1.283 755 I CA 0.296 61.361 61.300 -0.392 0.000 1.161 755 I CB -0.390 37.339 38.000 -0.452 0.000 1.012 755 I HN 0.168 nan 8.210 nan 0.000 0.421 756 I N 4.156 124.585 120.570 -0.234 0.000 2.312 756 I HA 0.176 4.351 4.170 0.008 0.000 0.291 756 I C -2.189 173.826 176.117 -0.170 0.000 1.031 756 I CA -1.582 59.592 61.300 -0.211 0.000 1.293 756 I CB 1.130 39.043 38.000 -0.146 0.000 1.403 756 I HN -0.124 nan 8.210 nan 0.000 0.484 757 P HA 0.282 nan 4.420 nan 0.000 0.293 757 P C -0.699 176.695 177.300 0.157 0.000 1.300 757 P CA -0.470 62.553 63.100 -0.127 0.000 0.792 757 P CB 0.294 31.979 31.700 -0.025 0.000 0.925 758 F N 2.536 122.521 119.950 0.058 0.000 2.688 758 F HA -0.155 4.377 4.527 0.008 0.000 0.276 758 F C -1.158 174.712 175.800 0.115 0.000 1.034 758 F CA -0.208 57.866 58.000 0.123 0.000 0.991 758 F CB -1.837 37.281 39.000 0.197 0.000 1.119 758 F HN 0.361 nan 8.300 nan 0.000 0.837 759 P HA -0.120 nan 4.420 nan 0.000 0.225 759 P C 1.161 178.479 177.300 0.031 0.000 1.156 759 P CA 1.675 64.818 63.100 0.072 0.000 0.787 759 P CB 0.122 31.806 31.700 -0.027 0.000 0.802 760 D N -1.479 118.866 120.400 -0.092 0.000 2.378 760 D HA -0.162 4.482 4.640 0.008 0.000 0.227 760 D C 1.030 177.200 176.300 -0.217 0.000 1.012 760 D CA 0.763 54.650 54.000 -0.188 0.000 0.905 760 D CB -1.110 39.423 40.800 -0.445 0.000 0.895 760 D HN 0.308 nan 8.370 nan 0.000 0.532 761 H N -0.653 118.466 119.070 0.082 0.000 2.674 761 H HA 0.313 4.874 4.556 0.008 0.000 0.274 761 H C -0.309 175.048 175.328 0.047 0.000 1.121 761 H CA -0.434 55.649 56.048 0.059 0.000 1.132 761 H CB 0.280 30.061 29.762 0.031 0.000 1.606 761 H HN 0.136 nan 8.280 nan 0.000 0.558 762 N N 1.128 119.920 118.700 0.153 0.000 2.417 762 N HA 0.072 4.817 4.740 0.008 0.000 0.300 762 N C -0.236 175.333 175.510 0.098 0.000 1.102 762 N CA -0.451 52.678 53.050 0.132 0.000 0.886 762 N CB 2.149 40.751 38.487 0.192 0.000 1.203 762 N HN 0.108 nan 8.380 nan 0.000 0.496 763 Q N 0.912 120.764 119.800 0.086 0.000 2.373 763 Q HA 0.076 4.421 4.340 0.008 0.000 0.255 763 Q C 0.368 176.424 176.000 0.094 0.000 0.980 763 Q CA 0.198 56.047 55.803 0.077 0.000 0.882 763 Q CB 1.173 29.949 28.738 0.064 0.000 1.249 763 Q HN 0.655 nan 8.270 nan 0.000 0.438 764 S N 3.066 118.814 115.700 0.080 0.000 2.345 764 S HA -0.016 4.458 4.470 0.008 0.000 0.219 764 S C -1.156 173.487 174.600 0.072 0.000 1.031 764 S CA 0.991 59.233 58.200 0.071 0.000 0.984 764 S CB -0.589 62.642 63.200 0.052 0.000 0.874 764 S HN 0.681 nan 8.310 nan 0.000 0.451 765 P HA -0.073 nan 4.420 nan 0.000 0.223 765 P C 1.059 178.468 177.300 0.181 0.000 1.144 765 P CA 0.766 63.899 63.100 0.054 0.000 0.783 765 P CB -0.100 31.673 31.700 0.122 0.000 0.771 766 R N 0.223 120.897 120.500 0.290 0.000 2.081 766 R HA -0.068 4.276 4.340 0.008 0.000 0.235 766 R C 2.027 178.475 176.300 0.247 0.000 1.131 766 R CA 0.894 57.212 56.100 0.364 0.000 0.960 766 R CB -1.569 28.860 30.300 0.215 0.000 0.856 766 R HN 0.248 nan 8.270 nan 0.000 0.436 767 N N 0.026 118.807 118.700 0.134 0.000 2.104 767 N HA -0.121 4.624 4.740 0.008 0.000 0.190 767 N C 1.589 177.105 175.510 0.009 0.000 1.024 767 N CA 1.803 54.892 53.050 0.065 0.000 0.853 767 N CB -0.335 38.176 38.487 0.040 0.000 1.008 767 N HN 0.221 nan 8.380 nan 0.000 0.424 768 T N 0.674 115.199 114.554 -0.049 0.000 2.708 768 T HA -0.121 4.234 4.350 0.008 0.000 0.266 768 T C 1.605 176.196 174.700 -0.181 0.000 1.037 768 T CA 1.143 63.145 62.100 -0.164 0.000 1.146 768 T CB -0.489 68.208 68.868 -0.284 0.000 0.865 768 T HN 0.274 nan 8.240 nan 0.000 0.435 769 Y N 1.558 121.848 120.300 -0.015 0.000 2.014 769 Y HA -0.257 4.298 4.550 0.008 0.000 0.270 769 Y C 2.967 178.850 175.900 -0.029 0.000 1.145 769 Y CA 1.635 59.723 58.100 -0.020 0.000 1.106 769 Y CB -0.802 37.651 38.460 -0.012 0.000 0.968 769 Y HN 0.109 nan 8.280 nan 0.000 0.484 770 Q N 0.484 120.368 119.800 0.139 0.000 2.217 770 Q HA -0.191 4.153 4.340 0.008 0.000 0.209 770 Q C 2.076 178.075 176.000 -0.001 0.000 0.988 770 Q CA 2.192 58.016 55.803 0.035 0.000 0.878 770 Q CB -0.548 28.171 28.738 -0.032 0.000 0.909 770 Q HN 0.394 nan 8.270 nan 0.000 0.424 771 S N -0.352 115.338 115.700 -0.017 0.000 2.355 771 S HA -0.059 4.416 4.470 0.008 0.000 0.222 771 S C 1.863 176.443 174.600 -0.034 0.000 1.031 771 S CA 0.980 59.156 58.200 -0.040 0.000 0.993 771 S CB -0.614 62.549 63.200 -0.061 0.000 0.859 771 S HN 0.645 nan 8.310 nan 0.000 0.453 772 A N 0.698 123.495 122.820 -0.038 0.000 2.024 772 A HA -0.019 4.306 4.320 0.008 0.000 0.220 772 A C 2.018 179.597 177.584 -0.009 0.000 1.164 772 A CA 1.387 53.405 52.037 -0.031 0.000 0.643 772 A CB -0.458 18.518 19.000 -0.039 0.000 0.806 772 A HN 0.505 nan 8.150 nan 0.000 0.451 773 M N -1.529 118.079 119.600 0.013 0.000 2.492 773 M HA 0.092 4.576 4.480 0.008 0.000 0.255 773 M C 2.075 178.390 176.300 0.025 0.000 1.139 773 M CA 0.597 55.908 55.300 0.018 0.000 1.096 773 M CB 0.144 32.763 32.600 0.030 0.000 1.360 773 M HN 0.473 nan 8.290 nan 0.000 0.480 774 G N 1.159 109.977 108.800 0.030 0.000 2.450 774 G HA2 -0.209 3.756 3.960 0.008 0.000 0.220 774 G HA3 -0.209 3.756 3.960 0.008 0.000 0.220 774 G C 1.471 176.423 174.900 0.086 0.000 1.130 774 G CA 0.772 45.913 45.100 0.069 0.000 0.760 774 G HN 0.405 nan 8.290 nan 0.000 0.557 775 K N -0.099 120.322 120.400 0.035 0.000 2.525 775 K HA 0.029 4.354 4.320 0.008 0.000 0.192 775 K C 1.899 178.483 176.600 -0.027 0.000 1.029 775 K CA 0.698 56.996 56.287 0.018 0.000 1.029 775 K CB 0.164 32.644 32.500 -0.033 0.000 0.814 775 K HN 0.433 nan 8.250 nan 0.000 0.503 776 Q N -0.382 119.392 119.800 -0.043 0.000 2.185 776 Q HA 0.243 4.587 4.340 0.008 0.000 0.234 776 Q C -0.042 175.978 176.000 0.035 0.000 0.819 776 Q CA -0.325 55.347 55.803 -0.218 0.000 0.961 776 Q CB 0.973 29.571 28.738 -0.233 0.000 1.140 776 Q HN 0.130 nan 8.270 nan 0.000 0.492 777 A N 1.393 124.288 122.820 0.124 0.000 2.561 777 A HA 0.170 4.495 4.320 0.008 0.000 0.234 777 A C -0.198 177.531 177.584 0.242 0.000 1.055 777 A CA 0.310 52.443 52.037 0.159 0.000 0.756 777 A CB 0.084 19.182 19.000 0.163 0.000 0.986 777 A HN 0.361 nan 8.150 nan 0.000 0.505 778 M N 2.089 121.766 119.600 0.129 0.000 2.318 778 M HA 0.574 5.058 4.480 0.008 0.000 0.347 778 M C 0.574 176.881 176.300 0.013 0.000 1.175 778 M CA 0.902 56.221 55.300 0.032 0.000 1.075 778 M CB 1.557 34.147 32.600 -0.017 0.000 1.614 778 M HN 1.008 nan 8.290 nan 0.000 0.456 779 G N 1.398 110.167 108.800 -0.051 0.000 2.435 779 G HA2 0.321 4.285 3.960 0.008 0.000 0.296 779 G HA3 0.321 4.285 3.960 0.008 0.000 0.296 779 G C -1.695 173.177 174.900 -0.047 0.000 1.240 779 G CA -0.776 44.303 45.100 -0.034 0.000 0.872 779 G HN 0.482 nan 8.290 nan 0.000 0.480 780 V N 2.277 122.144 119.914 -0.079 0.000 2.403 780 V HA 0.231 4.356 4.120 0.008 0.000 0.265 780 V C 1.182 177.250 176.094 -0.043 0.000 1.034 780 V CA 0.778 63.012 62.300 -0.111 0.000 1.036 780 V CB -0.497 31.214 31.823 -0.186 0.000 1.032 780 V HN 0.657 nan 8.190 nan 0.000 0.478 781 F N 4.720 124.615 119.950 -0.091 0.000 2.619 781 F HA 0.555 5.087 4.527 0.008 0.000 0.293 781 F C 0.303 176.156 175.800 0.087 0.000 1.119 781 F CA 0.124 58.127 58.000 0.003 0.000 1.445 781 F CB 0.313 39.284 39.000 -0.050 0.000 1.119 781 F HN 0.260 nan 8.300 nan 0.000 0.573 782 L N 0.114 120.855 121.223 -0.802 0.000 2.612 782 L HA 0.160 4.504 4.340 0.008 0.000 0.256 782 L C 0.739 177.402 176.870 -0.345 0.000 0.949 782 L CA -0.494 54.035 54.840 -0.520 0.000 0.867 782 L CB 2.139 43.858 42.059 -0.566 0.000 1.417 782 L HN -0.127 nan 8.230 nan 0.000 0.414 783 T N -0.608 113.848 114.554 -0.163 0.000 2.720 783 T HA -0.121 4.234 4.350 0.008 0.000 0.268 783 T C 1.190 175.823 174.700 -0.112 0.000 1.037 783 T CA 1.983 64.047 62.100 -0.060 0.000 1.144 783 T CB -0.335 68.578 68.868 0.075 0.000 0.864 783 T HN 0.696 nan 8.240 nan 0.000 0.444 784 N N 1.937 120.549 118.700 -0.147 0.000 2.413 784 N HA -0.030 4.714 4.740 0.008 0.000 0.207 784 N C 1.135 176.494 175.510 -0.252 0.000 1.206 784 N CA -0.087 52.852 53.050 -0.186 0.000 0.832 784 N CB -1.102 37.321 38.487 -0.106 0.000 1.037 784 N HN 0.686 nan 8.380 nan 0.000 0.467 785 Y N -0.667 119.472 120.300 -0.269 0.000 2.315 785 Y HA -0.087 4.467 4.550 0.007 0.000 0.288 785 Y C 1.910 177.685 175.900 -0.208 0.000 1.154 785 Y CA 1.112 59.083 58.100 -0.215 0.000 1.229 785 Y CB -1.012 37.381 38.460 -0.112 0.000 0.980 785 Y HN 0.095 nan 8.280 nan 0.000 0.540 786 N N 0.766 118.958 118.700 -0.847 0.000 2.166 786 N HA -0.155 4.590 4.740 0.008 0.000 0.186 786 N C 1.446 176.765 175.510 -0.318 0.000 1.019 786 N CA 1.920 54.607 53.050 -0.605 0.000 0.856 786 N CB -0.209 37.940 38.487 -0.563 0.000 0.993 786 N HN 0.300 nan 8.380 nan 0.000 0.426 787 V N 0.440 120.212 119.914 -0.236 0.000 2.407 787 V HA 0.004 4.128 4.120 0.008 0.000 0.245 787 V C 0.859 176.906 176.094 -0.079 0.000 1.041 787 V CA 0.988 63.209 62.300 -0.132 0.000 1.040 787 V CB -0.449 31.316 31.823 -0.096 0.000 0.671 787 V HN 0.246 nan 8.190 nan 0.000 0.455 788 R N 0.495 120.964 120.500 -0.051 0.000 2.641 788 R HA 0.335 4.680 4.340 0.008 0.000 0.269 788 R C -0.052 176.252 176.300 0.008 0.000 1.074 788 R CA 0.249 56.358 56.100 0.016 0.000 1.133 788 R CB 0.273 30.620 30.300 0.079 0.000 1.029 788 R HN 0.137 nan 8.270 nan 0.000 0.488 789 M N 3.216 122.834 119.600 0.030 0.000 2.693 789 M HA 0.165 4.650 4.480 0.008 0.000 0.224 789 M C -1.546 174.773 176.300 0.032 0.000 1.149 789 M CA -0.742 54.567 55.300 0.015 0.000 0.622 789 M CB 0.547 33.157 32.600 0.017 0.000 1.443 789 M HN 0.642 nan 8.290 nan 0.000 0.431 790 D N -0.235 120.182 120.400 0.028 0.000 2.269 790 D HA 0.400 5.044 4.640 0.008 0.000 0.244 790 D C -0.129 176.161 176.300 -0.017 0.000 0.992 790 D CA -0.458 53.551 54.000 0.015 0.000 0.894 790 D CB 0.655 41.465 40.800 0.017 0.000 1.248 790 D HN 0.093 nan 8.370 nan 0.000 0.468 791 T N 1.249 115.786 114.554 -0.028 0.000 2.738 791 T HA 0.180 4.535 4.350 0.008 0.000 0.277 791 T C 0.513 175.187 174.700 -0.043 0.000 0.981 791 T CA 0.015 62.079 62.100 -0.059 0.000 1.211 791 T CB -0.622 68.204 68.868 -0.071 0.000 0.932 791 T HN 0.548 nan 8.240 nan 0.000 0.522 792 M N 1.394 120.974 119.600 -0.033 0.000 4.047 792 M HA -0.011 4.473 4.480 0.008 0.000 0.157 792 M C -0.577 175.704 176.300 -0.031 0.000 1.532 792 M CA 0.456 55.782 55.300 0.044 0.000 1.097 792 M CB -0.798 31.867 32.600 0.109 0.000 1.346 792 M HN 1.047 nan 8.290 nan 0.000 0.190 793 A N 5.013 127.837 122.820 0.006 0.000 2.566 793 A HA 0.833 5.157 4.320 0.008 0.000 0.297 793 A C -1.300 176.284 177.584 0.001 0.000 1.059 793 A CA -0.864 51.067 52.037 -0.177 0.000 0.691 793 A CB 1.627 20.519 19.000 -0.180 0.000 1.282 793 A HN 0.763 nan 8.150 nan 0.000 0.401 794 N N 0.873 119.441 118.700 -0.219 0.000 2.296 794 N HA 0.681 5.426 4.740 0.008 0.000 0.294 794 N C -1.557 173.854 175.510 -0.166 0.000 1.033 794 N CA -0.339 52.634 53.050 -0.128 0.000 0.839 794 N CB 2.113 40.457 38.487 -0.238 0.000 1.395 794 N HN 0.488 nan 8.380 nan 0.000 0.479 795 I N 1.321 121.837 120.570 -0.090 0.000 2.828 795 I HA 0.309 4.484 4.170 0.008 0.000 0.302 795 I C -0.468 175.631 176.117 -0.030 0.000 1.101 795 I CA -0.728 60.492 61.300 -0.135 0.000 1.031 795 I CB 1.649 39.431 38.000 -0.363 0.000 1.231 795 I HN 0.270 nan 8.210 nan 0.000 0.427 796 L N 3.711 124.933 121.223 -0.002 0.000 2.397 796 L HA 0.178 4.523 4.340 0.008 0.000 0.271 796 L C 0.655 177.618 176.870 0.155 0.000 1.148 796 L CA 0.526 55.434 54.840 0.112 0.000 0.825 796 L CB 0.142 42.271 42.059 0.117 0.000 1.117 796 L HN 0.462 nan 8.230 nan 0.000 0.456 797 Y N 3.369 123.697 120.300 0.047 0.000 2.145 797 Y HA -0.150 4.404 4.550 0.007 0.000 0.286 797 Y C 0.253 176.024 175.900 -0.215 0.000 1.145 797 Y CA 1.515 59.600 58.100 -0.026 0.000 1.148 797 Y CB -0.128 38.447 38.460 0.192 0.000 0.981 797 Y HN 0.486 nan 8.280 nan 0.000 0.507 798 Y N 0.036 120.440 120.300 0.173 0.000 2.535 798 Y HA 0.334 4.889 4.550 0.007 0.000 0.351 798 Y C -2.318 173.611 175.900 0.047 0.000 1.050 798 Y CA -3.570 54.574 58.100 0.074 0.000 1.168 798 Y CB -0.067 38.426 38.460 0.055 0.000 1.116 798 Y HN -0.073 nan 8.280 nan 0.000 0.654 799 P HA 0.114 nan 4.420 nan 0.000 0.271 799 P C -0.716 176.640 177.300 0.093 0.000 1.244 799 P CA 0.092 63.250 63.100 0.097 0.000 0.793 799 P CB 1.432 33.143 31.700 0.017 0.000 0.984 800 Q N -0.934 118.941 119.800 0.125 0.000 2.391 800 Q HA 0.229 4.574 4.340 0.008 0.000 0.279 800 Q C -0.576 175.543 176.000 0.199 0.000 1.028 800 Q CA -1.024 54.864 55.803 0.142 0.000 0.836 800 Q CB 2.566 31.406 28.738 0.169 0.000 1.414 800 Q HN 0.383 nan 8.270 nan 0.000 0.397 801 K N 1.744 122.187 120.400 0.071 0.000 2.326 801 K HA 0.352 4.676 4.320 0.008 0.000 0.275 801 K C -2.328 174.266 176.600 -0.010 0.000 1.018 801 K CA -1.183 55.106 56.287 0.003 0.000 0.962 801 K CB 0.516 32.997 32.500 -0.032 0.000 0.953 801 K HN 0.193 nan 8.250 nan 0.000 0.475 802 P HA -0.046 nan 4.420 nan 0.000 0.272 802 P C 0.523 177.755 177.300 -0.114 0.000 1.254 802 P CA -0.300 62.545 63.100 -0.425 0.000 0.795 802 P CB 0.667 31.859 31.700 -0.847 0.000 1.022 803 L N -0.879 120.328 121.223 -0.027 0.000 2.249 803 L HA 0.138 4.483 4.340 0.008 0.000 0.207 803 L C 1.462 178.305 176.870 -0.044 0.000 1.090 803 L CA 1.014 55.844 54.840 -0.016 0.000 0.802 803 L CB -0.596 41.470 42.059 0.013 0.000 0.947 803 L HN 0.479 nan 8.230 nan 0.000 0.453 804 G N 0.266 109.032 108.800 -0.056 0.000 2.468 804 G HA2 0.378 4.343 3.960 0.008 0.000 0.320 804 G HA3 0.378 4.343 3.960 0.008 0.000 0.320 804 G C -0.150 174.651 174.900 -0.166 0.000 1.137 804 G CA -0.131 44.927 45.100 -0.069 0.000 0.984 804 G HN 0.061 nan 8.290 nan 0.000 0.462 805 T N -0.149 114.293 114.554 -0.188 0.000 2.927 805 T HA 0.669 5.024 4.350 0.008 0.000 0.281 805 T C 0.412 174.936 174.700 -0.292 0.000 0.998 805 T CA -0.448 61.509 62.100 -0.237 0.000 1.019 805 T CB 1.594 70.340 68.868 -0.204 0.000 1.061 805 T HN 0.223 nan 8.240 nan 0.000 0.518 806 T N 2.730 117.100 114.554 -0.307 0.000 2.909 806 T HA 0.359 4.713 4.350 0.008 0.000 0.286 806 T C 1.324 175.803 174.700 -0.370 0.000 1.002 806 T CA -0.953 60.957 62.100 -0.315 0.000 1.074 806 T CB 1.310 70.021 68.868 -0.260 0.000 0.984 806 T HN 0.480 nan 8.240 nan 0.000 0.495 807 R N 1.533 121.744 120.500 -0.481 0.000 2.200 807 R HA -0.022 4.323 4.340 0.008 0.000 0.234 807 R C 2.046 177.938 176.300 -0.680 0.000 1.127 807 R CA 1.043 56.656 56.100 -0.811 0.000 0.989 807 R CB -1.056 28.288 30.300 -1.594 0.000 0.869 807 R HN 0.773 nan 8.270 nan 0.000 0.459 808 A N -0.450 122.172 122.820 -0.330 0.000 2.132 808 A HA 0.046 4.370 4.320 0.008 0.000 0.213 808 A C 2.056 179.541 177.584 -0.165 0.000 1.154 808 A CA 0.203 52.190 52.037 -0.085 0.000 0.753 808 A CB -0.174 18.897 19.000 0.118 0.000 0.826 808 A HN 0.174 nan 8.150 nan 0.000 0.469 809 M N -0.401 119.062 119.600 -0.228 0.000 2.202 809 M HA -0.208 4.277 4.480 0.008 0.000 0.262 809 M C 1.990 178.196 176.300 -0.157 0.000 1.063 809 M CA 1.959 57.156 55.300 -0.171 0.000 1.097 809 M CB -0.424 32.065 32.600 -0.185 0.000 1.382 809 M HN 0.593 nan 8.290 nan 0.000 0.413 810 E N 0.950 120.948 120.200 -0.338 0.000 2.114 810 E HA -0.219 4.136 4.350 0.008 0.000 0.199 810 E C 1.165 177.541 176.600 -0.373 0.000 1.008 810 E CA 1.987 58.121 56.400 -0.443 0.000 0.810 810 E CB -0.355 28.906 29.700 -0.732 0.000 0.739 810 E HN 0.699 nan 8.360 nan 0.000 0.456 811 Y N -0.676 119.555 120.300 -0.115 0.000 2.457 811 Y HA 0.274 4.828 4.550 0.008 0.000 0.263 811 Y C 1.378 177.169 175.900 -0.182 0.000 1.164 811 Y CA -0.227 57.741 58.100 -0.221 0.000 1.274 811 Y CB 0.422 38.549 38.460 -0.555 0.000 1.097 811 Y HN -0.010 nan 8.280 nan 0.000 0.523 812 L N -0.074 121.171 121.223 0.037 0.000 2.607 812 L HA 0.097 4.442 4.340 0.008 0.000 0.228 812 L C 0.410 177.451 176.870 0.285 0.000 1.123 812 L CA 0.164 55.087 54.840 0.137 0.000 0.890 812 L CB -0.034 42.091 42.059 0.111 0.000 1.103 812 L HN 0.078 nan 8.230 nan 0.000 0.468 813 K N -0.528 119.975 120.400 0.172 0.000 3.071 813 K HA -0.255 4.070 4.320 0.008 0.000 0.265 813 K C 0.646 177.261 176.600 0.026 0.000 1.060 813 K CA 0.580 56.941 56.287 0.123 0.000 0.767 813 K CB -2.240 30.380 32.500 0.200 0.000 1.241 813 K HN 0.238 nan 8.250 nan 0.000 0.486 814 F N 1.390 121.315 119.950 -0.041 0.000 2.118 814 F HA -0.016 4.516 4.527 0.008 0.000 0.293 814 F C 2.118 177.856 175.800 -0.103 0.000 1.102 814 F CA 1.014 58.980 58.000 -0.056 0.000 1.247 814 F CB 0.087 39.056 39.000 -0.052 0.000 1.017 814 F HN 0.054 nan 8.300 nan 0.000 0.475 815 R N 0.419 120.948 120.500 0.048 0.000 2.332 815 R HA -0.199 4.146 4.340 0.008 0.000 0.239 815 R C 0.969 177.196 176.300 -0.123 0.000 1.160 815 R CA 1.582 57.657 56.100 -0.042 0.000 1.020 815 R CB -0.559 29.723 30.300 -0.030 0.000 0.859 815 R HN 0.450 nan 8.270 nan 0.000 0.478 816 E N -1.154 118.928 120.200 -0.197 0.000 2.441 816 E HA 0.138 4.493 4.350 0.008 0.000 0.212 816 E C -0.339 175.968 176.600 -0.488 0.000 0.840 816 E CA 0.113 56.364 56.400 -0.247 0.000 1.143 816 E CB 0.618 30.258 29.700 -0.101 0.000 1.153 816 E HN -0.056 nan 8.360 nan 0.000 0.539 817 L N 2.259 123.128 121.223 -0.589 0.000 2.594 817 L HA 0.351 4.696 4.340 0.008 0.000 0.245 817 L C -2.550 173.978 176.870 -0.569 0.000 1.460 817 L CA -1.716 52.769 54.840 -0.591 0.000 0.865 817 L CB 0.962 42.551 42.059 -0.783 0.000 1.131 817 L HN -0.087 nan 8.230 nan 0.000 0.506 818 P HA 0.327 nan 4.420 nan 0.000 0.274 818 P C -0.743 176.328 177.300 -0.382 0.000 1.246 818 P CA -0.421 62.141 63.100 -0.897 0.000 0.795 818 P CB 1.500 32.898 31.700 -0.504 0.000 1.006 819 A N 0.884 123.589 122.820 -0.191 0.000 2.545 819 A HA 0.709 5.033 4.320 0.008 0.000 0.300 819 A C -0.001 177.700 177.584 0.195 0.000 1.252 819 A CA -0.091 51.995 52.037 0.081 0.000 0.753 819 A CB -0.043 19.046 19.000 0.149 0.000 1.144 819 A HN 0.850 nan 8.150 nan 0.000 0.457 820 G N 1.181 110.041 108.800 0.100 0.000 2.379 820 G HA2 0.308 4.273 3.960 0.008 0.000 0.609 820 G HA3 0.308 4.273 3.960 0.008 0.000 0.609 820 G C -1.254 173.499 174.900 -0.244 0.000 1.484 820 G CA -1.030 43.987 45.100 -0.137 0.000 0.921 820 G HN 0.792 nan 8.290 nan 0.000 0.658 821 Q N 0.374 120.137 119.800 -0.062 0.000 2.266 821 Q HA 0.431 4.776 4.340 0.008 0.000 0.261 821 Q C 0.133 176.048 176.000 -0.141 0.000 0.985 821 Q CA -1.043 54.666 55.803 -0.156 0.000 0.873 821 Q CB 1.760 30.237 28.738 -0.436 0.000 1.306 821 Q HN 0.433 nan 8.270 nan 0.000 0.447 822 N N 1.410 120.117 118.700 0.012 0.000 3.254 822 N HA 0.129 4.874 4.740 0.008 0.000 0.308 822 N C -1.113 174.365 175.510 -0.054 0.000 1.281 822 N CA -0.001 53.105 53.050 0.093 0.000 1.212 822 N CB 0.151 38.724 38.487 0.144 0.000 1.478 822 N HN 0.595 nan 8.380 nan 0.000 0.548 823 A N 1.708 124.449 122.820 -0.131 0.000 2.477 823 A HA 0.141 4.466 4.320 0.008 0.000 0.246 823 A C 0.694 178.143 177.584 -0.225 0.000 1.078 823 A CA -0.257 51.640 52.037 -0.233 0.000 0.770 823 A CB 0.358 19.160 19.000 -0.330 0.000 1.011 823 A HN 0.366 nan 8.150 nan 0.000 0.494 824 I N 3.396 123.808 120.570 -0.264 0.000 2.578 824 I HA 0.035 4.209 4.170 0.008 0.000 0.286 824 I C 0.407 176.251 176.117 -0.456 0.000 1.126 824 I CA 0.663 61.749 61.300 -0.357 0.000 1.380 824 I CB 0.121 37.919 38.000 -0.337 0.000 1.408 824 I HN 0.333 nan 8.210 nan 0.000 0.532 825 V N 7.115 126.745 119.914 -0.472 0.000 2.532 825 V HA 0.772 4.896 4.120 0.008 0.000 0.295 825 V C 0.120 175.920 176.094 -0.490 0.000 1.041 825 V CA -0.484 61.559 62.300 -0.428 0.000 0.926 825 V CB 1.857 33.510 31.823 -0.282 0.000 0.992 825 V HN 0.846 nan 8.190 nan 0.000 0.457 826 A N 7.058 129.692 122.820 -0.310 0.000 2.335 826 A HA 0.741 5.065 4.320 0.008 0.000 0.304 826 A C -0.751 176.825 177.584 -0.013 0.000 1.118 826 A CA -0.589 51.354 52.037 -0.156 0.000 0.757 826 A CB 0.758 19.730 19.000 -0.047 0.000 1.188 826 A HN 0.754 nan 8.150 nan 0.000 0.460 827 I N 2.042 122.659 120.570 0.079 0.000 2.337 827 I HA 0.580 4.754 4.170 0.008 0.000 0.291 827 I C 0.477 176.651 176.117 0.095 0.000 1.046 827 I CA 0.140 61.502 61.300 0.102 0.000 1.324 827 I CB 1.137 39.225 38.000 0.146 0.000 1.409 827 I HN 0.745 nan 8.210 nan 0.000 0.494 828 A N 4.598 127.468 122.820 0.083 0.000 2.572 828 A HA 0.365 4.690 4.320 0.008 0.000 0.303 828 A C -0.696 176.974 177.584 0.142 0.000 1.059 828 A CA -0.659 51.442 52.037 0.108 0.000 0.788 828 A CB 0.596 19.663 19.000 0.113 0.000 1.282 828 A HN 0.754 nan 8.150 nan 0.000 0.397 829 C N 3.349 122.732 119.300 0.138 0.000 3.247 829 C HA 0.342 4.807 4.460 0.008 0.000 0.573 829 C C 0.847 175.974 174.990 0.228 0.000 1.106 829 C CA -0.399 58.715 59.018 0.159 0.000 1.209 829 C CB -2.880 24.925 27.740 0.109 0.000 1.460 829 C HN 0.667 nan 8.230 nan 0.000 0.634 830 Y N 2.480 122.848 120.300 0.113 0.000 2.153 830 Y HA 0.110 4.664 4.550 0.007 0.000 0.383 830 Y C 2.203 178.212 175.900 0.182 0.000 1.281 830 Y CA 1.079 59.268 58.100 0.148 0.000 1.804 830 Y CB 0.300 38.866 38.460 0.176 0.000 1.546 830 Y HN 0.629 nan 8.280 nan 0.000 0.694 831 S N -0.211 115.419 115.700 -0.116 0.000 2.557 831 S HA -0.366 4.109 4.470 0.008 0.000 0.344 831 S C 1.427 176.088 174.600 0.102 0.000 1.291 831 S CA 2.281 60.505 58.200 0.039 0.000 1.306 831 S CB -1.648 61.765 63.200 0.355 0.000 1.335 831 S HN 1.907 nan 8.310 nan 0.000 0.466 832 G N -1.805 107.103 108.800 0.179 0.000 2.789 832 G HA2 -0.012 3.953 3.960 0.008 0.000 0.218 832 G HA3 -0.012 3.953 3.960 0.008 0.000 0.218 832 G C 0.253 175.166 174.900 0.022 0.000 0.980 832 G CA 0.231 45.375 45.100 0.074 0.000 0.848 832 G HN 0.473 nan 8.290 nan 0.000 0.591 833 Y N 1.715 122.066 120.300 0.084 0.000 2.457 833 Y HA 0.042 4.597 4.550 0.008 0.000 0.292 833 Y C 2.291 178.202 175.900 0.018 0.000 1.125 833 Y CA 1.416 59.538 58.100 0.036 0.000 1.254 833 Y CB 0.303 38.761 38.460 -0.004 0.000 1.012 833 Y HN 0.429 nan 8.280 nan 0.000 0.555 834 N N 0.384 119.190 118.700 0.176 0.000 2.413 834 N HA -0.047 4.697 4.740 0.008 0.000 0.207 834 N C -0.222 175.337 175.510 0.082 0.000 1.206 834 N CA 0.123 53.239 53.050 0.110 0.000 0.832 834 N CB -0.401 38.147 38.487 0.103 0.000 1.037 834 N HN 0.371 nan 8.380 nan 0.000 0.467 835 Q N 0.594 120.428 119.800 0.058 0.000 2.317 835 Q HA 0.135 4.480 4.340 0.008 0.000 0.229 835 Q C -0.350 175.653 176.000 0.004 0.000 0.984 835 Q CA -0.548 55.270 55.803 0.026 0.000 0.911 835 Q CB 0.700 29.432 28.738 -0.010 0.000 1.217 835 Q HN 0.240 nan 8.270 nan 0.000 0.501 836 E N 2.568 122.756 120.200 -0.021 0.000 2.446 836 E HA -0.285 4.069 4.350 0.008 0.000 0.162 836 E C -0.993 175.601 176.600 -0.011 0.000 1.797 836 E CA 0.656 57.039 56.400 -0.028 0.000 0.619 836 E CB -1.190 28.486 29.700 -0.039 0.000 1.050 836 E HN 0.699 nan 8.360 nan 0.000 0.321 837 D N -0.338 120.060 120.400 -0.003 0.000 2.720 837 D HA -0.201 4.444 4.640 0.008 0.000 0.229 837 D C 0.244 176.557 176.300 0.022 0.000 1.198 837 D CA 1.749 55.752 54.000 0.004 0.000 0.639 837 D CB -0.934 39.854 40.800 -0.020 0.000 1.003 837 D HN 0.533 nan 8.370 nan 0.000 0.411 838 S N -1.097 114.624 115.700 0.035 0.000 2.798 838 S HA 0.874 5.349 4.470 0.008 0.000 0.312 838 S C 0.149 174.779 174.600 0.049 0.000 1.122 838 S CA -1.029 57.199 58.200 0.047 0.000 0.949 838 S CB 2.812 66.041 63.200 0.049 0.000 1.235 838 S HN 0.329 nan 8.310 nan 0.000 0.552 839 M N -0.144 119.476 119.600 0.032 0.000 2.414 839 M HA 0.539 5.024 4.480 0.008 0.000 0.287 839 M C -2.036 174.225 176.300 -0.065 0.000 1.181 839 M CA -0.697 54.598 55.300 -0.009 0.000 0.933 839 M CB 1.062 33.645 32.600 -0.029 0.000 1.732 839 M HN 0.601 nan 8.290 nan 0.000 0.486 840 I N 3.006 123.526 120.570 -0.085 0.000 2.532 840 I HA 0.614 4.789 4.170 0.008 0.000 0.292 840 I C -0.272 175.733 176.117 -0.186 0.000 1.014 840 I CA -0.393 60.807 61.300 -0.167 0.000 1.340 840 I CB 1.661 39.586 38.000 -0.125 0.000 1.422 840 I HN 0.819 nan 8.210 nan 0.000 0.528 841 M N 3.965 123.441 119.600 -0.206 0.000 2.531 841 M HA 0.345 4.830 4.480 0.008 0.000 0.286 841 M C -1.058 175.172 176.300 -0.116 0.000 1.232 841 M CA -0.751 54.440 55.300 -0.181 0.000 0.877 841 M CB 2.224 34.690 32.600 -0.224 0.000 1.726 841 M HN 0.473 nan 8.290 nan 0.000 0.463 842 N N 2.657 121.297 118.700 -0.100 0.000 2.671 842 N HA 0.015 4.760 4.740 0.008 0.000 0.274 842 N C 0.665 176.151 175.510 -0.041 0.000 1.188 842 N CA 0.318 53.336 53.050 -0.054 0.000 1.065 842 N CB 0.474 38.919 38.487 -0.071 0.000 1.415 842 N HN 0.574 nan 8.380 nan 0.000 0.511 843 Q N 1.349 121.140 119.800 -0.014 0.000 2.142 843 Q HA -0.242 4.102 4.340 0.008 0.000 0.213 843 Q C 1.190 177.180 176.000 -0.017 0.000 1.004 843 Q CA 2.095 57.893 55.803 -0.009 0.000 0.883 843 Q CB -0.486 28.264 28.738 0.019 0.000 0.939 843 Q HN 0.659 nan 8.270 nan 0.000 0.413 844 S N -0.008 115.682 115.700 -0.016 0.000 2.370 844 S HA -0.178 4.297 4.470 0.008 0.000 0.226 844 S C 1.983 176.554 174.600 -0.047 0.000 1.033 844 S CA 1.528 59.712 58.200 -0.028 0.000 1.011 844 S CB -0.620 62.563 63.200 -0.027 0.000 0.852 844 S HN 0.667 nan 8.310 nan 0.000 0.457 845 S N 2.013 117.676 115.700 -0.062 0.000 2.399 845 S HA -0.029 4.445 4.470 0.008 0.000 0.231 845 S C 1.783 176.330 174.600 -0.088 0.000 1.022 845 S CA 0.891 59.036 58.200 -0.090 0.000 0.983 845 S CB -0.772 62.357 63.200 -0.118 0.000 0.803 845 S HN 0.465 nan 8.310 nan 0.000 0.480 846 I N 2.897 123.431 120.570 -0.060 0.000 2.179 846 I HA -0.190 3.985 4.170 0.008 0.000 0.242 846 I C 2.015 178.104 176.117 -0.046 0.000 1.088 846 I CA 1.695 62.972 61.300 -0.039 0.000 1.357 846 I CB -0.440 37.552 38.000 -0.013 0.000 1.051 846 I HN 0.316 nan 8.210 nan 0.000 0.409 847 D N 0.447 120.823 120.400 -0.040 0.000 2.149 847 D HA -0.149 4.496 4.640 0.008 0.000 0.201 847 D C 2.122 178.396 176.300 -0.042 0.000 0.972 847 D CA 0.751 54.730 54.000 -0.034 0.000 0.835 847 D CB -0.581 40.205 40.800 -0.023 0.000 0.966 847 D HN 0.237 nan 8.370 nan 0.000 0.476 848 R N -0.008 120.456 120.500 -0.060 0.000 2.249 848 R HA -0.051 4.294 4.340 0.008 0.000 0.230 848 R C 1.130 177.355 176.300 -0.126 0.000 1.121 848 R CA 1.214 57.262 56.100 -0.085 0.000 0.997 848 R CB 0.003 30.245 30.300 -0.097 0.000 0.867 848 R HN 0.409 nan 8.270 nan 0.000 0.465 849 G N -0.396 108.336 108.800 -0.113 0.000 2.227 849 G HA2 -0.197 3.767 3.960 0.008 0.000 0.168 849 G HA3 -0.197 3.767 3.960 0.008 0.000 0.168 849 G C -0.171 174.666 174.900 -0.106 0.000 1.006 849 G CA -0.316 44.718 45.100 -0.111 0.000 0.684 849 G HN 0.199 nan 8.290 nan 0.000 0.489 850 L N 1.365 122.505 121.223 -0.139 0.000 2.559 850 L HA 0.551 4.895 4.340 0.008 0.000 0.282 850 L C 1.256 178.131 176.870 0.010 0.000 1.232 850 L CA 0.873 55.606 54.840 -0.178 0.000 0.885 850 L CB -0.418 41.495 42.059 -0.244 0.000 1.131 850 L HN 0.511 nan 8.230 nan 0.000 0.498 851 F N 2.272 122.247 119.950 0.042 0.000 3.079 851 F HA -0.320 4.212 4.527 0.007 0.000 0.274 851 F C 0.875 176.699 175.800 0.041 0.000 0.940 851 F CA 0.218 58.272 58.000 0.090 0.000 0.932 851 F CB -0.748 38.367 39.000 0.191 0.000 0.891 851 F HN 0.589 nan 8.300 nan 0.000 0.722 852 R N 0.453 121.048 120.500 0.159 0.000 2.457 852 R HA 0.573 4.918 4.340 0.008 0.000 0.284 852 R C 0.076 176.387 176.300 0.018 0.000 1.024 852 R CA 0.120 56.152 56.100 -0.113 0.000 1.025 852 R CB 1.621 31.557 30.300 -0.608 0.000 1.063 852 R HN 0.190 nan 8.270 nan 0.000 0.493 853 S N 2.140 117.826 115.700 -0.023 0.000 2.568 853 S HA 0.507 4.982 4.470 0.008 0.000 0.293 853 S C -0.472 174.242 174.600 0.189 0.000 1.089 853 S CA -1.004 57.275 58.200 0.132 0.000 0.945 853 S CB 1.290 64.514 63.200 0.040 0.000 1.077 853 S HN 0.350 nan 8.310 nan 0.000 0.485 854 L N 2.383 123.729 121.223 0.206 0.000 2.312 854 L HA 0.552 4.897 4.340 0.008 0.000 0.281 854 L C -1.081 175.766 176.870 -0.040 0.000 1.070 854 L CA -0.662 54.190 54.840 0.020 0.000 0.805 854 L CB 1.068 43.049 42.059 -0.129 0.000 1.174 854 L HN 0.794 nan 8.230 nan 0.000 0.434 855 F N 4.475 124.251 119.950 -0.289 0.000 2.434 855 F HA 0.493 5.023 4.527 0.006 0.000 0.355 855 F C -1.238 174.411 175.800 -0.252 0.000 1.115 855 F CA -0.975 56.906 58.000 -0.197 0.000 1.010 855 F CB 0.657 39.592 39.000 -0.107 0.000 1.234 855 F HN 0.093 nan 8.300 nan 0.000 0.439 856 F N 5.960 125.667 119.950 -0.405 0.000 2.415 856 F HA 0.584 5.116 4.527 0.008 0.000 0.348 856 F C 0.437 175.856 175.800 -0.635 0.000 1.119 856 F CA -0.573 57.171 58.000 -0.426 0.000 1.069 856 F CB 1.267 40.187 39.000 -0.134 0.000 1.124 856 F HN 0.373 nan 8.300 nan 0.000 0.472 857 R N 1.168 121.416 120.500 -0.420 0.000 2.832 857 R HA 0.676 5.020 4.340 0.008 0.000 0.271 857 R C -1.186 175.092 176.300 -0.036 0.000 0.996 857 R CA -0.677 55.252 56.100 -0.285 0.000 0.977 857 R CB 2.217 32.338 30.300 -0.298 0.000 1.168 857 R HN 0.630 nan 8.270 nan 0.000 0.482 858 S N 1.521 117.163 115.700 -0.096 0.000 2.561 858 S HA 0.503 4.978 4.470 0.008 0.000 0.303 858 S C -1.512 173.027 174.600 -0.102 0.000 1.110 858 S CA -0.523 57.676 58.200 -0.002 0.000 1.034 858 S CB 0.847 64.037 63.200 -0.017 0.000 1.010 858 S HN 0.345 nan 8.310 nan 0.000 0.482 859 Y N 1.758 122.037 120.300 -0.035 0.000 2.567 859 Y HA 0.761 5.317 4.550 0.010 0.000 0.333 859 Y C 0.326 176.200 175.900 -0.043 0.000 1.106 859 Y CA -1.255 56.829 58.100 -0.026 0.000 1.157 859 Y CB 1.070 39.516 38.460 -0.024 0.000 1.277 859 Y HN 0.385 nan 8.280 nan 0.000 0.490 860 M N 1.727 121.402 119.600 0.125 0.000 2.471 860 M HA 0.337 4.822 4.480 0.008 0.000 0.284 860 M C -2.417 173.931 176.300 0.079 0.000 1.203 860 M CA -0.233 55.089 55.300 0.036 0.000 0.915 860 M CB 2.618 35.248 32.600 0.050 0.000 1.734 860 M HN 0.893 nan 8.290 nan 0.000 0.485 861 D N 1.428 121.862 120.400 0.057 0.000 2.671 861 D HA 0.557 5.202 4.640 0.008 0.000 0.273 861 D C -1.741 174.728 176.300 0.282 0.000 1.264 861 D CA 0.046 54.156 54.000 0.183 0.000 0.788 861 D CB 2.221 43.182 40.800 0.269 0.000 1.324 861 D HN 0.688 nan 8.370 nan 0.000 0.424 862 Q N -0.033 119.941 119.800 0.290 0.000 2.648 862 Q HA 0.382 4.727 4.340 0.008 0.000 0.300 862 Q C -1.201 174.859 176.000 0.100 0.000 0.954 862 Q CA -0.815 55.164 55.803 0.293 0.000 0.757 862 Q CB 2.536 31.435 28.738 0.269 0.000 1.482 862 Q HN 0.237 nan 8.270 nan 0.000 0.437 863 E N 1.655 121.896 120.200 0.069 0.000 2.171 863 E HA 0.376 4.731 4.350 0.008 0.000 0.271 863 E C -1.174 175.417 176.600 -0.015 0.000 0.916 863 E CA -0.831 55.538 56.400 -0.052 0.000 0.774 863 E CB 1.971 31.627 29.700 -0.073 0.000 1.128 863 E HN 0.606 nan 8.360 nan 0.000 0.403 864 K N 1.536 121.917 120.400 -0.032 0.000 1.095 864 K HA -0.287 4.038 4.320 0.008 0.000 0.721 864 K C -1.356 175.245 176.600 0.002 0.000 2.325 864 K CA 0.900 57.182 56.287 -0.010 0.000 1.605 864 K CB -0.014 32.483 32.500 -0.005 0.000 2.579 864 K HN 0.530 nan 8.250 nan 0.000 0.382 865 K N 0.461 120.872 120.400 0.018 0.000 2.400 865 K HA 0.294 4.618 4.320 0.008 0.000 0.246 865 K C -0.898 175.749 176.600 0.078 0.000 0.995 865 K CA -0.954 55.344 56.287 0.019 0.000 0.840 865 K CB 0.874 33.400 32.500 0.043 0.000 1.293 865 K HN 0.504 nan 8.250 nan 0.000 0.445 866 Y N 0.413 120.723 120.300 0.017 0.000 2.455 866 Y HA -0.223 4.332 4.550 0.008 0.000 0.393 866 Y C 0.562 176.470 175.900 0.013 0.000 1.169 866 Y CA 0.494 58.604 58.100 0.016 0.000 1.394 866 Y CB -0.202 38.268 38.460 0.016 0.000 1.264 866 Y HN 0.620 nan 8.280 nan 0.000 0.375 867 G N 4.464 113.368 108.800 0.172 0.000 2.800 867 G HA2 0.386 4.351 3.960 0.008 0.000 0.340 867 G HA3 0.386 4.351 3.960 0.008 0.000 0.340 867 G C 0.307 175.267 174.900 0.101 0.000 1.089 867 G CA -0.670 44.495 45.100 0.107 0.000 1.144 867 G HN 0.713 nan 8.290 nan 0.000 0.461 868 M N 1.767 121.422 119.600 0.090 0.000 2.541 868 M HA 0.092 4.577 4.480 0.008 0.000 0.252 868 M C 1.858 178.183 176.300 0.042 0.000 1.125 868 M CA 1.096 56.434 55.300 0.064 0.000 1.091 868 M CB 0.574 33.199 32.600 0.041 0.000 1.420 868 M HN 0.555 nan 8.290 nan 0.000 0.486 869 S N -2.538 113.185 115.700 0.038 0.000 2.615 869 S HA 0.382 4.857 4.470 0.008 0.000 0.277 869 S C 0.294 174.909 174.600 0.024 0.000 1.068 869 S CA -0.690 57.526 58.200 0.027 0.000 1.315 869 S CB 0.460 63.672 63.200 0.020 0.000 1.193 869 S HN 0.220 nan 8.310 nan 0.000 0.656 870 I N 1.730 122.317 120.570 0.029 0.000 3.133 870 I HA 0.721 4.896 4.170 0.008 0.000 0.311 870 I C -0.892 175.238 176.117 0.022 0.000 1.072 870 I CA -0.411 60.902 61.300 0.021 0.000 1.015 870 I CB 2.487 40.499 38.000 0.020 0.000 1.233 870 I HN 0.112 nan 8.210 nan 0.000 0.473 871 T N 0.946 115.505 114.554 0.009 0.000 3.610 871 T HA 0.123 4.477 4.350 0.008 0.000 0.419 871 T C -1.226 173.459 174.700 -0.025 0.000 1.582 871 T CA -0.895 61.205 62.100 0.000 0.000 1.146 871 T CB 1.011 69.885 68.868 0.009 0.000 1.460 871 T HN 0.448 nan 8.240 nan 0.000 0.465 872 E N 1.547 121.717 120.200 -0.050 0.000 2.366 872 E HA 0.600 4.955 4.350 0.008 0.000 0.266 872 E C -0.266 176.244 176.600 -0.150 0.000 1.051 872 E CA -0.436 55.899 56.400 -0.109 0.000 0.884 872 E CB 0.892 30.506 29.700 -0.143 0.000 1.006 872 E HN 0.596 nan 8.360 nan 0.000 0.417 873 T N 1.381 115.821 114.554 -0.191 0.000 2.903 873 T HA 0.400 4.754 4.350 0.008 0.000 0.299 873 T C -0.760 173.813 174.700 -0.211 0.000 1.093 873 T CA -0.741 61.268 62.100 -0.152 0.000 1.002 873 T CB 0.619 69.466 68.868 -0.034 0.000 1.127 873 T HN 0.214 nan 8.240 nan 0.000 0.488 874 F N 2.320 122.286 119.950 0.026 0.000 2.410 874 F HA 0.547 5.078 4.527 0.007 0.000 0.349 874 F C 0.981 176.792 175.800 0.018 0.000 1.117 874 F CA -0.299 57.715 58.000 0.025 0.000 1.104 874 F CB 1.006 40.020 39.000 0.023 0.000 1.122 874 F HN 0.693 nan 8.300 nan 0.000 0.483 875 E N 1.448 121.776 120.200 0.214 0.000 2.429 875 E HA 0.216 4.571 4.350 0.008 0.000 0.280 875 E C -1.694 174.963 176.600 0.094 0.000 1.068 875 E CA -1.316 55.153 56.400 0.115 0.000 0.837 875 E CB 1.584 31.317 29.700 0.055 0.000 1.357 875 E HN 0.352 nan 8.360 nan 0.000 0.455 876 K N 2.176 122.606 120.400 0.050 0.000 2.231 876 K HA 0.271 4.596 4.320 0.008 0.000 0.255 876 K C -2.038 174.518 176.600 -0.074 0.000 1.108 876 K CA -1.618 54.681 56.287 0.021 0.000 0.997 876 K CB 0.424 32.945 32.500 0.036 0.000 1.549 876 K HN 0.354 nan 8.250 nan 0.000 0.419 877 P HA 0.097 nan 4.420 nan 0.000 0.323 877 P C -1.023 176.128 177.300 -0.247 0.000 1.319 877 P CA -0.012 62.981 63.100 -0.179 0.000 0.741 877 P CB 0.492 32.085 31.700 -0.179 0.000 1.545 878 Q N -4.708 114.970 119.800 -0.204 0.000 3.107 878 Q HA 0.223 4.567 4.340 0.008 0.000 0.319 878 Q C 0.384 176.318 176.000 -0.110 0.000 0.868 878 Q CA -1.195 54.501 55.803 -0.179 0.000 0.825 878 Q CB -0.013 28.649 28.738 -0.128 0.000 1.553 878 Q HN 0.030 nan 8.270 nan 0.000 0.489 879 R N 0.425 120.876 120.500 -0.081 0.000 2.805 879 R HA -0.238 4.106 4.340 0.008 0.000 0.276 879 R C 0.104 176.378 176.300 -0.043 0.000 0.719 879 R CA 2.358 58.427 56.100 -0.051 0.000 0.586 879 R CB -2.681 27.597 30.300 -0.037 0.000 0.640 879 R HN 1.384 nan 8.270 nan 0.000 0.330 880 T N 1.204 115.738 114.554 -0.033 0.000 3.970 880 T HA -0.175 4.179 4.350 0.008 0.000 0.361 880 T C 0.337 175.025 174.700 -0.019 0.000 0.758 880 T CA 1.002 63.086 62.100 -0.025 0.000 1.940 880 T CB -1.237 67.615 68.868 -0.028 0.000 1.821 880 T HN 0.579 nan 8.240 nan 0.000 0.818 881 N N -2.019 116.671 118.700 -0.016 0.000 2.723 881 N HA -0.186 4.559 4.740 0.008 0.000 0.203 881 N C 1.219 176.723 175.510 -0.009 0.000 1.197 881 N CA 2.131 55.175 53.050 -0.011 0.000 1.848 881 N CB -1.694 36.788 38.487 -0.008 0.000 0.911 881 N HN 0.589 nan 8.380 nan 0.000 0.520 882 T N 2.148 116.695 114.554 -0.012 0.000 2.937 882 T HA 0.160 4.514 4.350 0.008 0.000 0.260 882 T C 0.984 175.681 174.700 -0.006 0.000 1.051 882 T CA 0.705 62.801 62.100 -0.007 0.000 1.141 882 T CB -0.201 68.663 68.868 -0.007 0.000 0.879 882 T HN 0.430 nan 8.240 nan 0.000 0.459 883 L N 1.262 122.478 121.223 -0.012 0.000 4.256 883 L HA -0.208 4.137 4.340 0.008 0.000 0.482 883 L C -0.024 176.847 176.870 0.001 0.000 1.056 883 L CA 0.563 55.397 54.840 -0.011 0.000 0.622 883 L CB -1.563 40.487 42.059 -0.014 0.000 1.418 883 L HN 0.101 nan 8.230 nan 0.000 0.738 884 R N 2.340 122.846 120.500 0.011 0.000 2.477 884 R HA 0.559 4.903 4.340 0.008 0.000 0.285 884 R C -0.464 175.869 176.300 0.055 0.000 1.415 884 R CA -0.455 55.662 56.100 0.028 0.000 1.446 884 R CB 0.872 31.189 30.300 0.027 0.000 1.110 884 R HN 0.392 nan 8.270 nan 0.000 0.590 885 M N 1.217 120.860 119.600 0.072 0.000 2.528 885 M HA 0.427 4.912 4.480 0.008 0.000 0.321 885 M C 0.056 176.483 176.300 0.212 0.000 1.153 885 M CA -1.392 53.999 55.300 0.152 0.000 0.951 885 M CB 1.639 34.294 32.600 0.092 0.000 1.705 885 M HN -0.099 nan 8.290 nan 0.000 0.451 886 K N 1.102 121.692 120.400 0.316 0.000 2.397 886 K HA 0.040 4.365 4.320 0.008 0.000 0.265 886 K C 1.357 178.070 176.600 0.189 0.000 0.982 886 K CA 0.422 56.832 56.287 0.206 0.000 0.931 886 K CB 0.150 32.677 32.500 0.045 0.000 0.943 886 K HN 0.516 nan 8.250 nan 0.000 0.501 887 H N 0.093 119.173 119.070 0.016 0.000 2.319 887 H HA -0.100 4.459 4.556 0.006 0.000 0.299 887 H C 1.137 176.462 175.328 -0.006 0.000 1.092 887 H CA 1.181 57.236 56.048 0.012 0.000 1.302 887 H CB 0.161 29.920 29.762 -0.004 0.000 1.373 887 H HN 0.665 nan 8.280 nan 0.000 0.497 888 G N 0.116 108.945 108.800 0.049 0.000 2.489 888 G HA2 0.099 4.064 3.960 0.008 0.000 0.271 888 G HA3 0.099 4.064 3.960 0.008 0.000 0.271 888 G C -0.370 174.488 174.900 -0.069 0.000 1.427 888 G CA -0.409 44.670 45.100 -0.036 0.000 1.057 888 G HN 0.136 nan 8.290 nan 0.000 0.532 889 T N -0.012 114.493 114.554 -0.082 0.000 2.780 889 T HA 0.242 4.596 4.350 0.008 0.000 0.294 889 T C 0.165 174.806 174.700 -0.098 0.000 0.949 889 T CA 0.072 62.157 62.100 -0.025 0.000 1.074 889 T CB 1.140 70.002 68.868 -0.011 0.000 0.910 889 T HN 0.378 nan 8.240 nan 0.000 0.501 890 Y N 0.592 120.898 120.300 0.010 0.000 2.503 890 Y HA 0.062 4.615 4.550 0.004 0.000 0.278 890 Y C 2.108 178.009 175.900 0.002 0.000 1.111 890 Y CA 0.036 58.140 58.100 0.008 0.000 1.270 890 Y CB 0.201 38.669 38.460 0.013 0.000 1.063 890 Y HN 0.630 nan 8.280 nan 0.000 0.548 891 D N 0.578 121.069 120.400 0.153 0.000 2.420 891 D HA -0.145 4.500 4.640 0.008 0.000 0.233 891 D C 1.211 177.543 176.300 0.054 0.000 1.017 891 D CA 0.957 55.011 54.000 0.091 0.000 0.951 891 D CB -0.000 40.839 40.800 0.065 0.000 0.877 891 D HN 0.383 nan 8.370 nan 0.000 0.528 892 K N -0.239 120.187 120.400 0.044 0.000 2.367 892 K HA 0.166 4.490 4.320 0.008 0.000 0.194 892 K C 0.545 177.156 176.600 0.019 0.000 1.027 892 K CA 0.001 56.297 56.287 0.016 0.000 1.075 892 K CB 0.566 33.060 32.500 -0.011 0.000 0.845 892 K HN 0.043 nan 8.250 nan 0.000 0.529 893 L N 2.490 123.743 121.223 0.050 0.000 2.292 893 L HA 0.187 4.532 4.340 0.008 0.000 0.284 893 L C 0.034 176.928 176.870 0.040 0.000 1.065 893 L CA -0.724 54.146 54.840 0.049 0.000 0.806 893 L CB 0.881 42.998 42.059 0.097 0.000 1.175 893 L HN 0.155 nan 8.230 nan 0.000 0.431 894 D N 1.713 122.125 120.400 0.020 0.000 2.478 894 D HA 0.040 4.685 4.640 0.008 0.000 0.269 894 D C 0.244 176.557 176.300 0.021 0.000 1.232 894 D CA -0.652 53.358 54.000 0.016 0.000 1.059 894 D CB 1.191 41.994 40.800 0.005 0.000 1.104 894 D HN 0.454 nan 8.370 nan 0.000 0.566 895 D N 0.024 120.435 120.400 0.018 0.000 2.182 895 D HA -0.158 4.487 4.640 0.008 0.000 0.201 895 D C 1.371 177.692 176.300 0.035 0.000 0.986 895 D CA 1.243 55.258 54.000 0.024 0.000 0.847 895 D CB -0.140 40.671 40.800 0.018 0.000 0.942 895 D HN 0.518 nan 8.370 nan 0.000 0.467 896 D N -0.679 119.734 120.400 0.022 0.000 2.309 896 D HA -0.033 4.612 4.640 0.008 0.000 0.212 896 D C 1.543 177.867 176.300 0.040 0.000 0.968 896 D CA 1.292 55.305 54.000 0.022 0.000 0.882 896 D CB -0.258 40.530 40.800 -0.020 0.000 0.918 896 D HN 0.256 nan 8.370 nan 0.000 0.503 897 G N -0.933 107.896 108.800 0.048 0.000 2.184 897 G HA2 -0.182 3.783 3.960 0.008 0.000 0.206 897 G HA3 -0.182 3.783 3.960 0.008 0.000 0.206 897 G C 0.006 174.924 174.900 0.030 0.000 0.995 897 G CA 0.095 45.253 45.100 0.097 0.000 0.651 897 G HN 0.371 nan 8.290 nan 0.000 0.511 898 L N 0.739 121.939 121.223 -0.038 0.000 2.332 898 L HA 0.768 5.112 4.340 0.008 0.000 0.269 898 L C 0.806 177.653 176.870 -0.038 0.000 1.016 898 L CA -1.565 53.234 54.840 -0.067 0.000 0.809 898 L CB 1.103 43.087 42.059 -0.124 0.000 1.280 898 L HN 0.029 nan 8.230 nan 0.000 0.447 899 I N 0.537 121.077 120.570 -0.050 0.000 2.764 899 I HA 0.431 4.606 4.170 0.008 0.000 0.294 899 I C 0.585 176.676 176.117 -0.044 0.000 1.045 899 I CA -0.006 61.269 61.300 -0.041 0.000 1.340 899 I CB 0.610 38.576 38.000 -0.057 0.000 1.436 899 I HN 0.594 nan 8.210 nan 0.000 0.567 900 A N 4.888 127.689 122.820 -0.031 0.000 2.316 900 A HA 0.559 4.884 4.320 0.008 0.000 0.284 900 A C -1.567 176.000 177.584 -0.028 0.000 1.115 900 A CA -1.318 50.702 52.037 -0.029 0.000 0.812 900 A CB -0.092 18.896 19.000 -0.020 0.000 1.064 900 A HN 0.640 nan 8.150 nan 0.000 0.489 901 P HA -0.260 nan 4.420 nan 0.000 0.219 901 P C 1.741 179.034 177.300 -0.011 0.000 1.158 901 P CA 2.485 65.576 63.100 -0.016 0.000 0.895 901 P CB 0.007 31.700 31.700 -0.011 0.000 0.792 902 G N -0.463 108.332 108.800 -0.009 0.000 2.513 902 G HA2 -0.221 3.744 3.960 0.008 0.000 0.219 902 G HA3 -0.221 3.744 3.960 0.008 0.000 0.219 902 G C 0.449 175.345 174.900 -0.008 0.000 1.160 902 G CA 0.728 45.824 45.100 -0.006 0.000 0.767 902 G HN 0.241 nan 8.290 nan 0.000 0.571 903 V N 0.683 120.589 119.914 -0.013 0.000 2.872 903 V HA 0.194 4.318 4.120 0.008 0.000 0.307 903 V C 0.918 177.001 176.094 -0.019 0.000 1.072 903 V CA -0.277 62.014 62.300 -0.015 0.000 1.148 903 V CB 0.904 32.716 31.823 -0.020 0.000 0.954 903 V HN 0.289 nan 8.190 nan 0.000 0.490 904 R N 1.763 122.254 120.500 -0.016 0.000 2.531 904 R HA 0.680 5.024 4.340 0.008 0.000 0.273 904 R C -1.006 175.278 176.300 -0.027 0.000 1.070 904 R CA -0.324 55.766 56.100 -0.017 0.000 1.112 904 R CB 1.403 31.698 30.300 -0.008 0.000 1.049 904 R HN 0.655 nan 8.270 nan 0.000 0.508 905 V N 0.083 119.979 119.914 -0.031 0.000 2.971 905 V HA 0.701 4.826 4.120 0.008 0.000 0.309 905 V C -0.903 175.173 176.094 -0.030 0.000 1.130 905 V CA -0.951 61.323 62.300 -0.045 0.000 0.964 905 V CB 2.046 33.822 31.823 -0.078 0.000 1.029 905 V HN 1.020 nan 8.190 nan 0.000 0.427 906 S N 0.206 115.887 115.700 -0.032 0.000 2.683 906 S HA 0.781 5.256 4.470 0.008 0.000 0.278 906 S C -0.073 174.515 174.600 -0.021 0.000 1.059 906 S CA 0.142 58.333 58.200 -0.015 0.000 0.847 906 S CB 0.789 63.987 63.200 -0.003 0.000 1.078 906 S HN 2.703 nan 8.310 nan 0.000 0.456 907 G N 1.549 110.342 108.800 -0.012 0.000 2.641 907 G HA2 -0.197 3.767 3.960 0.008 0.000 0.254 907 G HA3 -0.197 3.767 3.960 0.008 0.000 0.254 907 G C -0.241 174.638 174.900 -0.035 0.000 1.315 907 G CA 0.241 45.330 45.100 -0.018 0.000 0.907 907 G HN 1.251 nan 8.290 nan 0.000 0.572 908 E N 1.124 121.298 120.200 -0.043 0.000 2.888 908 E HA 0.210 4.565 4.350 0.008 0.000 0.271 908 E C -0.311 176.230 176.600 -0.099 0.000 1.527 908 E CA 0.046 56.406 56.400 -0.067 0.000 1.700 908 E CB -0.218 29.443 29.700 -0.064 0.000 1.410 908 E HN 0.375 nan 8.360 nan 0.000 0.445 909 D N 0.918 121.260 120.400 -0.097 0.000 2.424 909 D HA 0.015 4.660 4.640 0.008 0.000 0.244 909 D C -0.075 176.119 176.300 -0.176 0.000 1.134 909 D CA -0.078 53.849 54.000 -0.123 0.000 0.881 909 D CB 1.113 41.855 40.800 -0.097 0.000 1.191 909 D HN -0.082 nan 8.370 nan 0.000 0.445 910 V N 3.684 123.455 119.914 -0.238 0.000 2.614 910 V HA 0.120 4.244 4.120 0.008 0.000 0.291 910 V C 1.431 177.431 176.094 -0.156 0.000 1.049 910 V CA 0.079 62.215 62.300 -0.273 0.000 1.038 910 V CB 1.310 32.817 31.823 -0.527 0.000 0.980 910 V HN 0.536 nan 8.190 nan 0.000 0.481 911 I N 3.716 124.203 120.570 -0.137 0.000 4.244 911 I HA 0.351 4.525 4.170 0.008 0.000 0.318 911 I C -0.015 176.063 176.117 -0.066 0.000 1.282 911 I CA 0.587 61.802 61.300 -0.141 0.000 1.276 911 I CB 0.764 38.597 38.000 -0.279 0.000 1.183 911 I HN 0.432 nan 8.210 nan 0.000 0.431 912 I N 0.622 121.193 120.570 0.002 0.000 2.560 912 I HA 0.319 4.494 4.170 0.008 0.000 0.283 912 I C -0.214 176.019 176.117 0.193 0.000 1.115 912 I CA -0.463 60.894 61.300 0.096 0.000 1.066 912 I CB 1.701 39.769 38.000 0.112 0.000 1.221 912 I HN -0.098 nan 8.210 nan 0.000 0.450 913 G N 5.446 114.398 108.800 0.253 0.000 2.348 913 G HA2 0.770 4.735 3.960 0.008 0.000 0.312 913 G HA3 0.770 4.735 3.960 0.008 0.000 0.312 913 G C -0.902 174.160 174.900 0.269 0.000 1.126 913 G CA -0.372 44.904 45.100 0.292 0.000 0.865 913 G HN 0.648 nan 8.290 nan 0.000 0.474 914 K N -0.402 120.078 120.400 0.135 0.000 2.551 914 K HA 0.713 5.037 4.320 0.008 0.000 0.269 914 K C -1.201 175.370 176.600 -0.048 0.000 0.949 914 K CA -0.954 55.308 56.287 -0.042 0.000 0.849 914 K CB 1.871 34.162 32.500 -0.348 0.000 1.411 914 K HN 0.492 nan 8.250 nan 0.000 0.432 915 T N -1.291 113.212 114.554 -0.085 0.000 2.840 915 T HA 0.237 4.592 4.350 0.008 0.000 0.287 915 T C -0.625 174.038 174.700 -0.062 0.000 0.991 915 T CA -0.698 61.371 62.100 -0.052 0.000 0.964 915 T CB 1.502 70.348 68.868 -0.037 0.000 0.954 915 T HN 0.537 nan 8.240 nan 0.000 0.438 916 T N 5.620 120.150 114.554 -0.041 0.000 2.794 916 T HA 0.440 4.794 4.350 0.008 0.000 0.304 916 T C -2.607 172.083 174.700 -0.018 0.000 0.973 916 T CA -1.803 60.278 62.100 -0.031 0.000 0.972 916 T CB -0.063 68.792 68.868 -0.021 0.000 0.952 916 T HN 0.423 nan 8.240 nan 0.000 0.509 917 P HA 0.362 nan 4.420 nan 0.000 0.284 917 P C -0.741 176.557 177.300 -0.003 0.000 1.343 917 P CA -0.528 62.566 63.100 -0.010 0.000 0.826 917 P CB 0.311 32.005 31.700 -0.010 0.000 0.956 918 I N 2.016 122.586 120.570 -0.001 0.000 2.493 918 I HA 0.360 4.535 4.170 0.008 0.000 0.298 918 I C 0.796 176.915 176.117 0.003 0.000 0.998 918 I CA -0.317 60.985 61.300 0.003 0.000 1.137 918 I CB 1.981 39.984 38.000 0.005 0.000 1.310 918 I HN 0.278 nan 8.210 nan 0.000 0.445 934 K N 2.252 122.645 120.400 -0.013 0.000 2.367 934 K HA 0.560 4.885 4.320 0.008 0.000 0.263 934 K C -0.686 175.906 176.600 -0.014 0.000 1.000 934 K CA -0.429 55.849 56.287 -0.016 0.000 0.891 934 K CB 1.637 34.124 32.500 -0.022 0.000 1.117 934 K HN 0.213 nan 8.250 nan 0.000 0.443 935 R N 1.644 122.140 120.500 -0.007 0.000 2.543 935 R HA 0.029 4.374 4.340 0.008 0.000 0.277 935 R C -0.196 176.107 176.300 0.005 0.000 1.074 935 R CA -0.341 55.760 56.100 0.001 0.000 1.076 935 R CB 0.472 30.776 30.300 0.007 0.000 0.993 935 R HN 0.627 nan 8.270 nan 0.000 0.459 936 D N 0.625 121.038 120.400 0.023 0.000 2.255 936 D HA 0.250 4.894 4.640 0.008 0.000 0.249 936 D C -0.390 175.947 176.300 0.060 0.000 1.078 936 D CA -0.295 53.734 54.000 0.048 0.000 0.896 936 D CB 1.325 42.180 40.800 0.091 0.000 1.194 936 D HN 0.522 nan 8.370 nan 0.000 0.429 937 A N 2.585 125.443 122.820 0.062 0.000 2.605 937 A HA 0.316 4.640 4.320 0.008 0.000 0.292 937 A C 0.398 178.031 177.584 0.082 0.000 1.055 937 A CA -0.257 51.813 52.037 0.054 0.000 0.969 937 A CB -0.551 18.456 19.000 0.012 0.000 1.236 937 A HN 0.547 nan 8.150 nan 0.000 0.534 938 S N 0.004 115.784 115.700 0.135 0.000 2.589 938 S HA 0.424 4.898 4.470 0.008 0.000 0.265 938 S C 0.133 174.784 174.600 0.084 0.000 1.342 938 S CA 0.249 58.538 58.200 0.149 0.000 1.005 938 S CB 0.454 63.809 63.200 0.258 0.000 0.909 938 S HN 0.342 nan 8.310 nan 0.000 0.555 939 T N 2.598 117.190 114.554 0.062 0.000 2.842 939 T HA 0.485 4.840 4.350 0.008 0.000 0.308 939 T C -2.812 171.877 174.700 -0.018 0.000 1.041 939 T CA -1.222 60.907 62.100 0.048 0.000 0.964 939 T CB 1.002 69.929 68.868 0.098 0.000 0.972 939 T HN 0.424 nan 8.240 nan 0.000 0.460 940 P HA 0.070 nan 4.420 nan 0.000 0.269 940 P C 0.469 177.739 177.300 -0.050 0.000 1.209 940 P CA -0.814 62.239 63.100 -0.079 0.000 0.776 940 P CB 0.527 32.187 31.700 -0.067 0.000 0.876 941 L N 2.980 124.124 121.223 -0.132 0.000 2.492 941 L HA 0.023 4.368 4.340 0.008 0.000 0.280 941 L C 0.721 177.629 176.870 0.064 0.000 1.240 941 L CA 0.308 55.061 54.840 -0.145 0.000 0.831 941 L CB 0.089 42.047 42.059 -0.167 0.000 1.100 941 L HN 0.451 nan 8.230 nan 0.000 0.505 942 R N 1.904 122.539 120.500 0.227 0.000 2.566 942 R HA -0.102 4.243 4.340 0.008 0.000 0.273 942 R C 1.260 177.601 176.300 0.068 0.000 0.981 942 R CA 0.737 56.939 56.100 0.169 0.000 1.091 942 R CB 0.025 30.438 30.300 0.188 0.000 0.924 942 R HN 0.741 nan 8.270 nan 0.000 0.411 943 S N 1.006 116.723 115.700 0.029 0.000 2.805 943 S HA -0.051 4.424 4.470 0.008 0.000 0.230 943 S C 0.613 175.212 174.600 -0.002 0.000 0.968 943 S CA 1.102 59.298 58.200 -0.006 0.000 0.976 943 S CB 0.086 63.266 63.200 -0.034 0.000 0.787 943 S HN 0.661 nan 8.310 nan 0.000 0.533 944 T N -1.296 113.269 114.554 0.019 0.000 3.051 944 T HA 0.280 4.635 4.350 0.008 0.000 0.254 944 T C 0.374 175.096 174.700 0.036 0.000 0.916 944 T CA -0.413 61.699 62.100 0.019 0.000 0.894 944 T CB 0.311 69.187 68.868 0.012 0.000 1.251 944 T HN 0.379 nan 8.240 nan 0.000 0.517 945 E N 2.257 122.496 120.200 0.065 0.000 2.622 945 E HA 0.455 4.810 4.350 0.008 0.000 0.255 945 E C -0.297 176.343 176.600 0.068 0.000 1.313 945 E CA -0.489 55.969 56.400 0.097 0.000 1.011 945 E CB 0.478 30.285 29.700 0.179 0.000 1.173 945 E HN 0.470 nan 8.360 nan 0.000 0.601 946 N N -0.775 117.974 118.700 0.080 0.000 3.171 946 N HA 0.441 5.185 4.740 0.008 0.000 0.239 946 N C -0.752 174.788 175.510 0.050 0.000 1.275 946 N CA -0.209 52.868 53.050 0.044 0.000 0.920 946 N CB 1.271 39.777 38.487 0.032 0.000 1.554 946 N HN 0.680 nan 8.380 nan 0.000 0.504 947 G N -0.043 108.768 108.800 0.019 0.000 2.352 947 G HA2 0.311 4.276 3.960 0.008 0.000 0.283 947 G HA3 0.311 4.276 3.960 0.008 0.000 0.283 947 G C -2.068 172.825 174.900 -0.012 0.000 1.308 947 G CA -0.763 44.342 45.100 0.008 0.000 0.892 947 G HN 0.599 nan 8.290 nan 0.000 0.504 948 I N 0.741 121.300 120.570 -0.018 0.000 2.406 948 I HA 0.449 4.624 4.170 0.008 0.000 0.290 948 I C 0.625 176.735 176.117 -0.012 0.000 0.999 948 I CA -1.072 60.219 61.300 -0.015 0.000 1.124 948 I CB 1.902 39.899 38.000 -0.005 0.000 1.289 948 I HN 0.364 nan 8.210 nan 0.000 0.441 949 V N 5.342 125.245 119.914 -0.018 0.000 2.644 949 V HA -0.097 4.027 4.120 0.008 0.000 0.305 949 V C 0.879 176.986 176.094 0.022 0.000 1.053 949 V CA 0.548 62.840 62.300 -0.013 0.000 1.186 949 V CB 0.212 32.014 31.823 -0.034 0.000 0.895 949 V HN 0.892 nan 8.190 nan 0.000 0.490 950 D N 2.753 123.188 120.400 0.058 0.000 2.648 950 D HA 0.072 4.717 4.640 0.008 0.000 0.261 950 D C 0.616 176.943 176.300 0.044 0.000 1.261 950 D CA 0.513 54.569 54.000 0.095 0.000 1.011 950 D CB 0.725 41.660 40.800 0.224 0.000 1.092 950 D HN 0.696 nan 8.370 nan 0.000 0.417 951 Q N -0.169 119.649 119.800 0.030 0.000 2.297 951 Q HA 0.563 4.907 4.340 0.008 0.000 0.268 951 Q C -1.215 174.771 176.000 -0.024 0.000 1.045 951 Q CA -0.813 54.986 55.803 -0.007 0.000 0.861 951 Q CB 3.164 31.889 28.738 -0.022 0.000 1.344 951 Q HN -0.001 nan 8.270 nan 0.000 0.452 952 V N 2.124 122.013 119.914 -0.042 0.000 2.588 952 V HA 0.417 4.542 4.120 0.008 0.000 0.304 952 V C -1.211 174.837 176.094 -0.076 0.000 1.042 952 V CA -0.784 61.476 62.300 -0.067 0.000 0.877 952 V CB 1.715 33.490 31.823 -0.080 0.000 0.996 952 V HN 0.551 nan 8.190 nan 0.000 0.425 953 L N 5.840 127.003 121.223 -0.101 0.000 2.307 953 L HA 0.772 5.117 4.340 0.008 0.000 0.284 953 L C -0.646 176.136 176.870 -0.147 0.000 1.023 953 L CA -0.008 54.772 54.840 -0.099 0.000 0.810 953 L CB 1.788 43.796 42.059 -0.085 0.000 1.231 953 L HN 0.487 nan 8.230 nan 0.000 0.423 954 V N 4.349 124.209 119.914 -0.089 0.000 2.398 954 V HA 0.644 4.768 4.120 0.008 0.000 0.282 954 V C -0.172 175.931 176.094 0.015 0.000 1.014 954 V CA -0.312 61.936 62.300 -0.086 0.000 0.838 954 V CB 1.073 32.840 31.823 -0.093 0.000 1.018 954 V HN 0.915 nan 8.190 nan 0.000 0.432 955 T N 1.681 116.297 114.554 0.103 0.000 2.716 955 T HA 0.612 4.967 4.350 0.008 0.000 0.286 955 T C -0.251 174.617 174.700 0.281 0.000 1.052 955 T CA -0.547 61.681 62.100 0.213 0.000 1.024 955 T CB 2.214 71.257 68.868 0.293 0.000 1.349 955 T HN 0.648 nan 8.240 nan 0.000 0.525 956 T N 0.207 114.886 114.554 0.209 0.000 2.918 956 T HA 0.567 4.921 4.350 0.008 0.000 0.286 956 T C -0.575 174.150 174.700 0.042 0.000 1.026 956 T CA -0.709 61.483 62.100 0.154 0.000 1.031 956 T CB 1.161 70.087 68.868 0.096 0.000 1.046 956 T HN 0.582 nan 8.240 nan 0.000 0.479 957 N N 1.899 120.581 118.700 -0.031 0.000 2.492 957 N HA 0.271 5.015 4.740 0.008 0.000 0.289 957 N C 1.420 176.889 175.510 -0.069 0.000 1.133 957 N CA -0.457 52.496 53.050 -0.161 0.000 0.961 957 N CB 1.060 39.414 38.487 -0.222 0.000 1.186 957 N HN 0.763 nan 8.380 nan 0.000 0.493 958 Q N 0.127 119.883 119.800 -0.074 0.000 2.167 958 Q HA -0.282 4.063 4.340 0.008 0.000 0.218 958 Q C -0.189 175.800 176.000 -0.020 0.000 1.033 958 Q CA 1.843 57.627 55.803 -0.032 0.000 0.918 958 Q CB -0.148 28.571 28.738 -0.032 0.000 1.019 958 Q HN 0.637 nan 8.270 nan 0.000 0.417 959 D N -1.256 119.123 120.400 -0.035 0.000 3.032 959 D HA 0.121 4.766 4.640 0.008 0.000 0.241 959 D C 0.701 176.991 176.300 -0.017 0.000 1.196 959 D CA 0.812 54.791 54.000 -0.034 0.000 0.927 959 D CB -0.484 40.279 40.800 -0.062 0.000 1.129 959 D HN 0.492 nan 8.370 nan 0.000 0.458 960 G N 0.540 109.342 108.800 0.004 0.000 2.284 960 G HA2 -0.353 3.612 3.960 0.008 0.000 0.268 960 G HA3 -0.353 3.612 3.960 0.008 0.000 0.268 960 G C 0.671 175.596 174.900 0.043 0.000 0.980 960 G CA 0.428 45.542 45.100 0.024 0.000 0.631 960 G HN 0.467 nan 8.290 nan 0.000 0.548 961 L N 0.450 121.696 121.223 0.039 0.000 2.525 961 L HA 0.213 4.557 4.340 0.008 0.000 0.278 961 L C 1.125 178.088 176.870 0.155 0.000 1.218 961 L CA 0.225 55.115 54.840 0.082 0.000 0.878 961 L CB 0.513 42.612 42.059 0.066 0.000 1.127 961 L HN 0.153 nan 8.230 nan 0.000 0.492 962 K N 3.123 123.643 120.400 0.200 0.000 2.276 962 K HA 0.389 4.713 4.320 0.008 0.000 0.283 962 K C -1.020 175.834 176.600 0.423 0.000 1.044 962 K CA -0.268 56.191 56.287 0.285 0.000 0.944 962 K CB 0.640 33.330 32.500 0.316 0.000 1.012 962 K HN 0.404 nan 8.250 nan 0.000 0.472 963 F N 3.561 123.615 119.950 0.174 0.000 2.628 963 F HA 0.491 5.024 4.527 0.009 0.000 0.309 963 F C -1.936 173.902 175.800 0.062 0.000 1.108 963 F CA -0.708 57.382 58.000 0.149 0.000 0.971 963 F CB 1.309 40.366 39.000 0.096 0.000 1.279 963 F HN 0.189 nan 8.300 nan 0.000 0.441 964 V N 4.352 123.857 119.914 -0.681 0.000 2.925 964 V HA 0.550 4.675 4.120 0.008 0.000 0.311 964 V C -1.161 174.547 176.094 -0.644 0.000 1.104 964 V CA -1.088 60.856 62.300 -0.593 0.000 0.954 964 V CB 2.394 33.953 31.823 -0.440 0.000 1.022 964 V HN 0.728 nan 8.190 nan 0.000 0.427 965 K N 2.270 122.418 120.400 -0.420 0.000 2.640 965 K HA 0.607 4.932 4.320 0.008 0.000 0.245 965 K C -1.597 174.935 176.600 -0.112 0.000 0.962 965 K CA -0.405 55.741 56.287 -0.235 0.000 0.896 965 K CB 2.169 34.551 32.500 -0.198 0.000 1.147 965 K HN 0.454 nan 8.250 nan 0.000 0.445 966 V N 3.794 123.684 119.914 -0.041 0.000 2.350 966 V HA 0.353 4.478 4.120 0.008 0.000 0.276 966 V C 0.069 176.210 176.094 0.079 0.000 1.028 966 V CA -0.695 61.595 62.300 -0.016 0.000 0.860 966 V CB 1.188 32.971 31.823 -0.066 0.000 0.990 966 V HN 0.580 nan 8.190 nan 0.000 0.453 967 R N 3.944 124.476 120.500 0.053 0.000 2.368 967 R HA 0.736 5.080 4.340 0.008 0.000 0.302 967 R C -1.297 175.054 176.300 0.085 0.000 1.002 967 R CA -0.336 55.824 56.100 0.100 0.000 0.929 967 R CB 1.577 31.923 30.300 0.076 0.000 1.073 967 R HN 0.546 nan 8.270 nan 0.000 0.464 968 V N 4.276 124.251 119.914 0.101 0.000 2.769 968 V HA 0.579 4.703 4.120 0.008 0.000 0.312 968 V C -0.382 175.691 176.094 -0.036 0.000 1.061 968 V CA -0.955 61.360 62.300 0.025 0.000 0.931 968 V CB 1.752 33.577 31.823 0.004 0.000 1.010 968 V HN 0.730 nan 8.190 nan 0.000 0.433 969 R N 1.962 122.418 120.500 -0.073 0.000 2.502 969 R HA 0.630 4.975 4.340 0.008 0.000 0.300 969 R C -1.270 174.937 176.300 -0.155 0.000 0.984 969 R CA -0.191 55.778 56.100 -0.218 0.000 0.882 969 R CB 2.121 32.284 30.300 -0.229 0.000 1.180 969 R HN 0.898 nan 8.270 nan 0.000 0.444 970 T N 1.624 116.097 114.554 -0.134 0.000 2.856 970 T HA 0.290 4.644 4.350 0.008 0.000 0.283 970 T C 0.009 174.707 174.700 -0.003 0.000 1.008 970 T CA -0.552 61.549 62.100 0.002 0.000 0.997 970 T CB 1.880 70.833 68.868 0.140 0.000 0.992 970 T HN 0.373 nan 8.240 nan 0.000 0.454 971 T N 2.924 117.491 114.554 0.022 0.000 2.907 971 T HA 0.305 4.660 4.350 0.008 0.000 0.298 971 T C 0.014 174.722 174.700 0.015 0.000 1.017 971 T CA -0.120 62.007 62.100 0.046 0.000 1.118 971 T CB 0.260 69.177 68.868 0.081 0.000 0.948 971 T HN 0.394 nan 8.240 nan 0.000 0.531 972 K N 3.097 123.486 120.400 -0.018 0.000 2.376 972 K HA 0.535 4.859 4.320 0.008 0.000 0.257 972 K C -0.866 175.684 176.600 -0.084 0.000 0.939 972 K CA -0.552 55.707 56.287 -0.046 0.000 0.809 972 K CB 1.259 33.720 32.500 -0.066 0.000 1.121 972 K HN 0.500 nan 8.250 nan 0.000 0.425 973 I N 4.323 124.852 120.570 -0.069 0.000 2.404 973 I HA 0.298 4.473 4.170 0.008 0.000 0.293 973 I C -1.995 174.118 176.117 -0.007 0.000 0.992 973 I CA -2.648 58.615 61.300 -0.062 0.000 1.149 973 I CB 1.498 39.459 38.000 -0.066 0.000 1.315 973 I HN 0.369 nan 8.210 nan 0.000 0.446 974 P HA -0.078 nan 4.420 nan 0.000 0.250 974 P C -0.684 176.688 177.300 0.122 0.000 1.198 974 P CA 0.460 63.656 63.100 0.160 0.000 1.118 974 P CB 0.315 32.222 31.700 0.346 0.000 1.208 975 Q N 2.325 122.167 119.800 0.071 0.000 2.166 975 Q HA 0.218 4.563 4.340 0.008 0.000 0.226 975 Q C 1.220 177.260 176.000 0.067 0.000 0.989 975 Q CA -0.900 54.930 55.803 0.044 0.000 0.966 975 Q CB 1.190 29.933 28.738 0.008 0.000 1.173 975 Q HN 0.086 nan 8.270 nan 0.000 0.509 976 I N 0.994 121.586 120.570 0.036 0.000 2.064 976 I HA -0.269 3.905 4.170 0.008 0.000 0.234 976 I C 1.589 177.746 176.117 0.066 0.000 1.019 976 I CA 2.788 64.108 61.300 0.034 0.000 1.301 976 I CB -0.511 37.494 38.000 0.009 0.000 1.017 976 I HN 0.824 nan 8.210 nan 0.000 0.392 977 G N -0.264 108.563 108.800 0.046 0.000 3.284 977 G HA2 0.030 3.994 3.960 0.008 0.000 0.236 977 G HA3 0.030 3.994 3.960 0.008 0.000 0.236 977 G C -0.059 174.862 174.900 0.034 0.000 1.158 977 G CA -0.199 44.929 45.100 0.047 0.000 0.774 977 G HN 0.357 nan 8.290 nan 0.000 0.545 978 D N 1.317 121.727 120.400 0.017 0.000 2.531 978 D HA 0.052 4.697 4.640 0.008 0.000 0.239 978 D C 0.802 177.004 176.300 -0.163 0.000 1.144 978 D CA 0.434 54.358 54.000 -0.127 0.000 0.869 978 D CB 1.190 41.814 40.800 -0.293 0.000 1.160 978 D HN 0.139 nan 8.370 nan 0.000 0.484 979 K N 1.588 121.890 120.400 -0.163 0.000 2.518 979 K HA -0.003 4.322 4.320 0.008 0.000 0.276 979 K C -0.622 175.793 176.600 -0.308 0.000 0.974 979 K CA 0.751 56.961 56.287 -0.129 0.000 0.986 979 K CB 0.285 32.724 32.500 -0.102 0.000 0.901 979 K HN 0.348 nan 8.250 nan 0.000 0.497 980 F N 1.902 121.826 119.950 -0.043 0.000 1.985 980 F HA 0.558 5.090 4.527 0.007 0.000 0.215 980 F C 0.425 176.209 175.800 -0.027 0.000 1.274 980 F CA 0.362 58.325 58.000 -0.061 0.000 1.258 980 F CB -0.128 38.858 39.000 -0.023 0.000 1.952 980 F HN 0.757 nan 8.300 nan 0.000 0.131 981 A N 0.202 123.211 122.820 0.316 0.000 6.250 981 A HA 0.170 4.495 4.320 0.008 0.000 0.247 981 A C 0.350 177.837 177.584 -0.161 0.000 2.386 981 A CA 0.166 52.269 52.037 0.110 0.000 0.667 981 A CB -1.948 17.065 19.000 0.022 0.000 1.109 981 A HN 1.198 nan 8.150 nan 0.000 0.353 982 S N -0.731 114.727 115.700 -0.405 0.000 4.167 982 S HA 0.751 5.225 4.470 0.008 0.000 0.194 982 S C 0.886 175.336 174.600 -0.251 0.000 1.053 982 S CA 0.570 58.327 58.200 -0.738 0.000 1.663 982 S CB 0.718 63.367 63.200 -0.919 0.000 0.938 982 S HN 1.276 nan 8.310 nan 0.000 0.804 983 R N -0.885 119.525 120.500 -0.151 0.000 2.539 983 R HA 0.341 4.686 4.340 0.008 0.000 0.342 983 R C -0.353 175.803 176.300 -0.241 0.000 0.941 983 R CA 0.100 56.108 56.100 -0.154 0.000 1.146 983 R CB 0.498 30.699 30.300 -0.166 0.000 1.541 983 R HN 0.625 nan 8.270 nan 0.000 0.525 984 H N -0.867 118.239 119.070 0.060 0.000 2.507 984 H HA 0.255 4.815 4.556 0.008 0.000 0.271 984 H C 0.793 176.146 175.328 0.043 0.000 1.224 984 H CA 0.398 56.499 56.048 0.088 0.000 1.000 984 H CB 1.075 30.935 29.762 0.162 0.000 1.663 984 H HN 0.330 nan 8.280 nan 0.000 0.548 985 G N 0.942 109.799 108.800 0.095 0.000 2.244 985 G HA2 -0.359 3.605 3.960 0.008 0.000 0.274 985 G HA3 -0.359 3.605 3.960 0.008 0.000 0.274 985 G C 0.799 175.662 174.900 -0.061 0.000 1.002 985 G CA 0.109 45.224 45.100 0.026 0.000 0.740 985 G HN 0.398 nan 8.290 nan 0.000 0.516 986 Q N 0.512 120.304 119.800 -0.014 0.000 3.122 986 Q HA 0.134 4.479 4.340 0.008 0.000 0.360 986 Q C 1.191 177.176 176.000 -0.026 0.000 1.300 986 Q CA 0.119 55.891 55.803 -0.052 0.000 0.982 986 Q CB -0.010 28.668 28.738 -0.101 0.000 1.534 986 Q HN 0.848 nan 8.270 nan 0.000 0.474 987 K N -0.955 119.422 120.400 -0.038 0.000 2.382 987 K HA 0.514 4.839 4.320 0.008 0.000 0.275 987 K C 0.015 176.630 176.600 0.025 0.000 1.009 987 K CA -0.125 56.159 56.287 -0.004 0.000 0.970 987 K CB 0.937 33.416 32.500 -0.035 0.000 0.934 987 K HN 0.182 nan 8.250 nan 0.000 0.479 988 G N 0.889 109.741 108.800 0.085 0.000 2.703 988 G HA2 0.327 4.292 3.960 0.008 0.000 0.294 988 G HA3 0.327 4.292 3.960 0.008 0.000 0.294 988 G C -1.109 173.878 174.900 0.145 0.000 1.451 988 G CA -0.687 44.471 45.100 0.096 0.000 0.869 988 G HN 0.764 nan 8.290 nan 0.000 0.516 989 T N -0.869 113.748 114.554 0.104 0.000 2.922 989 T HA 0.604 4.959 4.350 0.008 0.000 0.285 989 T C 0.583 175.370 174.700 0.145 0.000 1.005 989 T CA -0.632 61.553 62.100 0.142 0.000 1.061 989 T CB 0.723 69.632 68.868 0.069 0.000 1.007 989 T HN 0.465 nan 8.240 nan 0.000 0.502 990 I N 3.234 123.925 120.570 0.201 0.000 2.664 990 I HA 0.183 4.358 4.170 0.008 0.000 0.284 990 I C 1.638 177.782 176.117 0.044 0.000 1.154 990 I CA 0.038 61.383 61.300 0.075 0.000 1.402 990 I CB 0.337 38.394 38.000 0.095 0.000 1.395 990 I HN 1.018 nan 8.210 nan 0.000 0.545 991 G N 6.751 115.560 108.800 0.016 0.000 2.437 991 G HA2 0.127 4.092 3.960 0.008 0.000 0.212 991 G HA3 0.127 4.092 3.960 0.008 0.000 0.212 991 G C 0.297 175.176 174.900 -0.035 0.000 1.174 991 G CA 0.495 45.621 45.100 0.043 0.000 0.811 991 G HN 0.427 nan 8.290 nan 0.000 0.537 992 I N -0.142 120.320 120.570 -0.180 0.000 3.174 992 I HA 0.507 4.682 4.170 0.008 0.000 0.313 992 I C -0.675 175.223 176.117 -0.364 0.000 1.155 992 I CA -0.881 60.188 61.300 -0.384 0.000 0.977 992 I CB 2.500 39.989 38.000 -0.850 0.000 1.248 992 I HN 0.055 nan 8.210 nan 0.000 0.453 993 T N 0.833 115.193 114.554 -0.324 0.000 2.786 993 T HA 0.618 4.972 4.350 0.008 0.000 0.283 993 T C -0.933 173.716 174.700 -0.085 0.000 0.992 993 T CA -0.470 61.504 62.100 -0.211 0.000 0.954 993 T CB 0.363 69.183 68.868 -0.080 0.000 0.934 993 T HN 0.333 nan 8.240 nan 0.000 0.440 994 Y N 1.174 121.449 120.300 -0.043 0.000 2.387 994 Y HA 0.540 5.094 4.550 0.007 0.000 0.336 994 Y C 1.143 177.031 175.900 -0.020 0.000 1.067 994 Y CA -1.677 56.414 58.100 -0.015 0.000 1.114 994 Y CB 1.990 40.465 38.460 0.025 0.000 1.208 994 Y HN 0.442 nan 8.280 nan 0.000 0.458 995 R N 1.019 121.615 120.500 0.160 0.000 2.560 995 R HA 0.150 4.494 4.340 0.008 0.000 0.270 995 R C 1.393 177.716 176.300 0.037 0.000 1.074 995 R CA -0.249 55.889 56.100 0.062 0.000 1.140 995 R CB 0.683 31.002 30.300 0.033 0.000 1.073 995 R HN 0.723 nan 8.270 nan 0.000 0.527 996 R N 1.471 121.973 120.500 0.004 0.000 2.154 996 R HA -0.266 4.079 4.340 0.008 0.000 0.248 996 R C 0.811 177.091 176.300 -0.033 0.000 1.155 996 R CA 2.330 58.421 56.100 -0.015 0.000 0.979 996 R CB 0.024 30.301 30.300 -0.037 0.000 0.869 996 R HN 0.700 nan 8.270 nan 0.000 0.452 997 E N 0.707 120.881 120.200 -0.043 0.000 1.983 997 E HA -0.222 4.132 4.350 0.008 0.000 0.208 997 E C 1.490 178.062 176.600 -0.046 0.000 1.006 997 E CA 1.918 58.282 56.400 -0.061 0.000 0.872 997 E CB -0.502 29.170 29.700 -0.046 0.000 0.806 997 E HN 0.460 nan 8.360 nan 0.000 0.510 998 D N 0.224 120.584 120.400 -0.067 0.000 2.322 998 D HA -0.150 4.494 4.640 0.008 0.000 0.210 998 D C 0.496 176.704 176.300 -0.153 0.000 0.983 998 D CA 0.696 54.575 54.000 -0.202 0.000 0.902 998 D CB -0.283 40.350 40.800 -0.278 0.000 0.905 998 D HN 0.054 nan 8.370 nan 0.000 0.483 999 M N 1.198 120.791 119.600 -0.011 0.000 2.250 999 M HA 0.157 4.641 4.480 0.008 0.000 0.325 999 M C -2.205 174.111 176.300 0.026 0.000 1.084 999 M CA -1.700 53.601 55.300 0.001 0.000 1.161 999 M CB 0.560 33.180 32.600 0.033 0.000 1.481 999 M HN -0.166 nan 8.290 nan 0.000 0.449 1000 P HA 0.277 nan 4.420 nan 0.000 0.273 1000 P C -1.468 175.915 177.300 0.139 0.000 1.250 1000 P CA -0.042 63.012 63.100 -0.077 0.000 0.793 1000 P CB 0.282 31.804 31.700 -0.297 0.000 1.011 1001 F N -3.800 116.152 119.950 0.003 0.000 2.678 1001 F HA 0.547 5.079 4.527 0.008 0.000 0.308 1001 F C -0.604 175.198 175.800 0.003 0.000 1.118 1001 F CA -1.050 56.947 58.000 -0.006 0.000 0.959 1001 F CB 0.759 39.755 39.000 -0.008 0.000 1.305 1001 F HN 0.177 nan 8.300 nan 0.000 0.443 1002 T N 0.638 115.203 114.554 0.019 0.000 2.849 1002 T HA 0.535 4.889 4.350 0.008 0.000 0.284 1002 T C 1.157 175.952 174.700 0.159 0.000 1.004 1002 T CA 0.256 62.320 62.100 -0.059 0.000 1.021 1002 T CB 1.305 70.012 68.868 -0.268 0.000 1.013 1002 T HN 0.979 nan 8.240 nan 0.000 0.527 1003 A N 1.775 124.685 122.820 0.151 0.000 2.119 1003 A HA 0.039 4.363 4.320 0.008 0.000 0.217 1003 A C 1.990 179.609 177.584 0.059 0.000 1.153 1003 A CA 1.294 53.395 52.037 0.107 0.000 0.692 1003 A CB -0.513 18.598 19.000 0.185 0.000 0.799 1003 A HN 0.950 nan 8.150 nan 0.000 0.458 1004 E N -1.617 118.621 120.200 0.063 0.000 2.274 1004 E HA 0.130 4.485 4.350 0.008 0.000 0.194 1004 E C 1.278 177.908 176.600 0.049 0.000 0.996 1004 E CA 0.558 56.987 56.400 0.049 0.000 0.840 1004 E CB -0.074 29.668 29.700 0.070 0.000 0.772 1004 E HN 0.735 nan 8.360 nan 0.000 0.491 1005 G N 0.361 109.215 108.800 0.090 0.000 2.192 1005 G HA2 -0.172 3.793 3.960 0.008 0.000 0.193 1005 G HA3 -0.172 3.793 3.960 0.008 0.000 0.193 1005 G C 0.089 175.036 174.900 0.079 0.000 0.999 1005 G CA -0.370 44.771 45.100 0.067 0.000 0.659 1005 G HN 0.062 nan 8.290 nan 0.000 0.503 1006 I N 1.809 122.444 120.570 0.107 0.000 2.517 1006 I HA 0.327 4.502 4.170 0.008 0.000 0.285 1006 I C 1.196 177.434 176.117 0.201 0.000 1.106 1006 I CA -0.503 60.881 61.300 0.139 0.000 1.402 1006 I CB 0.793 38.901 38.000 0.180 0.000 1.399 1006 I HN -0.076 nan 8.210 nan 0.000 0.535 1007 V N 9.398 129.414 119.914 0.170 0.000 3.036 1007 V HA 0.425 4.550 4.120 0.008 0.000 0.308 1007 V C -1.972 174.247 176.094 0.209 0.000 1.070 1007 V CA -1.289 61.119 62.300 0.181 0.000 1.056 1007 V CB 1.954 33.823 31.823 0.077 0.000 1.084 1007 V HN 0.673 nan 8.190 nan 0.000 0.471 1008 P HA 0.377 nan 4.420 nan 0.000 0.296 1008 P C -0.324 176.906 177.300 -0.117 0.000 1.301 1008 P CA -0.525 62.543 63.100 -0.052 0.000 0.862 1008 P CB 1.449 33.082 31.700 -0.111 0.000 1.046 1009 D N 1.256 121.541 120.400 -0.192 0.000 2.084 1009 D HA -0.053 4.592 4.640 0.008 0.000 0.194 1009 D C 0.946 177.114 176.300 -0.220 0.000 0.990 1009 D CA 1.782 55.661 54.000 -0.202 0.000 0.826 1009 D CB -0.008 40.643 40.800 -0.249 0.000 0.971 1009 D HN 0.435 nan 8.370 nan 0.000 0.453 1010 L N -2.330 118.724 121.223 -0.281 0.000 2.376 1010 L HA 0.612 4.957 4.340 0.008 0.000 0.258 1010 L C -1.029 175.693 176.870 -0.248 0.000 1.013 1010 L CA -1.050 53.621 54.840 -0.281 0.000 0.822 1010 L CB 2.279 44.106 42.059 -0.387 0.000 1.388 1010 L HN -0.297 nan 8.230 nan 0.000 0.413 1011 I N 2.706 123.173 120.570 -0.173 0.000 2.389 1011 I HA 0.503 4.678 4.170 0.008 0.000 0.288 1011 I C -0.132 175.953 176.117 -0.052 0.000 0.999 1011 I CA -0.548 60.694 61.300 -0.098 0.000 1.129 1011 I CB 1.748 39.722 38.000 -0.043 0.000 1.288 1011 I HN 0.625 nan 8.210 nan 0.000 0.444 1012 I N 2.206 122.768 120.570 -0.013 0.000 2.924 1012 I HA 0.587 4.762 4.170 0.008 0.000 0.316 1012 I C -0.169 175.983 176.117 0.058 0.000 1.014 1012 I CA -0.758 60.566 61.300 0.039 0.000 1.106 1012 I CB 1.144 39.195 38.000 0.085 0.000 1.311 1012 I HN 0.451 nan 8.210 nan 0.000 0.502 1013 N N 3.437 122.177 118.700 0.067 0.000 2.425 1013 N HA 0.366 5.111 4.740 0.008 0.000 0.268 1013 N C -1.978 173.562 175.510 0.050 0.000 0.991 1013 N CA -2.757 50.345 53.050 0.086 0.000 0.931 1013 N CB 1.264 39.826 38.487 0.125 0.000 1.130 1013 N HN 0.430 nan 8.380 nan 0.000 0.493 1014 P HA -0.052 nan 4.420 nan 0.000 0.251 1014 P C 0.211 177.413 177.300 -0.163 0.000 1.251 1014 P CA 0.631 63.677 63.100 -0.090 0.000 0.763 1014 P CB 0.063 31.692 31.700 -0.118 0.000 1.067 1015 H N 0.006 119.069 119.070 -0.012 0.000 2.497 1015 H HA 0.239 4.799 4.556 0.008 0.000 0.282 1015 H C 1.574 176.878 175.328 -0.040 0.000 1.003 1015 H CA 0.690 56.725 56.048 -0.021 0.000 1.307 1015 H CB 0.026 29.782 29.762 -0.012 0.000 1.437 1015 H HN 0.141 nan 8.280 nan 0.000 0.544 1016 A N 0.939 123.797 122.820 0.065 0.000 2.346 1016 A HA 0.101 4.426 4.320 0.008 0.000 0.242 1016 A C 1.522 179.069 177.584 -0.063 0.000 1.323 1016 A CA 0.183 52.214 52.037 -0.009 0.000 0.940 1016 A CB -0.565 18.416 19.000 -0.031 0.000 0.943 1016 A HN 0.152 nan 8.150 nan 0.000 0.501 1017 I N -0.477 120.062 120.570 -0.052 0.000 3.136 1017 I HA 0.067 4.242 4.170 0.008 0.000 0.262 1017 I C -0.942 175.136 176.117 -0.065 0.000 1.132 1017 I CA 0.413 61.660 61.300 -0.088 0.000 1.450 1017 I CB -1.554 36.380 38.000 -0.110 0.000 1.315 1017 I HN 0.107 nan 8.210 nan 0.000 0.460 1018 P HA 0.049 nan 4.420 nan 0.000 0.231 1018 P C 1.520 178.810 177.300 -0.017 0.000 1.168 1018 P CA 0.908 63.991 63.100 -0.029 0.000 0.779 1018 P CB 0.081 31.771 31.700 -0.016 0.000 0.844 1019 S N 0.413 116.105 115.700 -0.013 0.000 2.427 1019 S HA 0.015 4.489 4.470 0.008 0.000 0.224 1019 S C 1.756 176.345 174.600 -0.017 0.000 1.047 1019 S CA 0.019 58.212 58.200 -0.011 0.000 0.953 1019 S CB -0.676 62.519 63.200 -0.009 0.000 0.824 1019 S HN 0.148 nan 8.310 nan 0.000 0.502 1020 R N 1.166 121.647 120.500 -0.032 0.000 2.310 1020 R HA 0.362 4.707 4.340 0.008 0.000 0.202 1020 R C 0.541 176.830 176.300 -0.018 0.000 0.933 1020 R CA 0.305 56.385 56.100 -0.033 0.000 1.054 1020 R CB -0.757 29.503 30.300 -0.067 0.000 0.985 1020 R HN 0.307 nan 8.270 nan 0.000 0.489 1021 M N 0.822 120.407 119.600 -0.025 0.000 2.797 1021 M HA -0.188 4.297 4.480 0.008 0.000 0.171 1021 M C 0.235 176.521 176.300 -0.023 0.000 0.647 1021 M CA 1.518 56.806 55.300 -0.020 0.000 0.598 1021 M CB -1.753 30.848 32.600 0.001 0.000 2.180 1021 M HN 0.309 nan 8.290 nan 0.000 0.429 1022 T N 0.117 114.649 114.554 -0.036 0.000 2.765 1022 T HA 0.311 4.665 4.350 0.008 0.000 0.284 1022 T C 0.868 175.511 174.700 -0.094 0.000 0.946 1022 T CA 0.166 62.240 62.100 -0.044 0.000 1.185 1022 T CB 0.565 69.408 68.868 -0.041 0.000 0.887 1022 T HN 0.203 nan 8.240 nan 0.000 0.532 1023 V N 5.190 125.054 119.914 -0.084 0.000 3.263 1023 V HA 0.179 4.303 4.120 0.008 0.000 0.248 1023 V C 2.643 178.632 176.094 -0.175 0.000 1.145 1023 V CA 0.972 63.205 62.300 -0.111 0.000 1.107 1023 V CB -0.669 31.113 31.823 -0.068 0.000 0.797 1023 V HN 0.986 nan 8.190 nan 0.000 0.467 1024 A N -0.266 122.436 122.820 -0.196 0.000 1.908 1024 A HA -0.306 4.018 4.320 0.008 0.000 0.218 1024 A C 2.139 179.515 177.584 -0.347 0.000 1.181 1024 A CA 2.127 54.025 52.037 -0.232 0.000 0.627 1024 A CB -0.909 18.103 19.000 0.020 0.000 0.818 1024 A HN 0.658 nan 8.150 nan 0.000 0.445 1025 H N 0.261 118.890 119.070 -0.736 0.000 2.267 1025 H HA -0.192 4.369 4.556 0.008 0.000 0.291 1025 H C 1.978 177.244 175.328 -0.104 0.000 1.094 1025 H CA 2.378 58.201 56.048 -0.375 0.000 1.227 1025 H CB -0.399 29.218 29.762 -0.242 0.000 1.351 1025 H HN 0.437 nan 8.280 nan 0.000 0.483 1026 L N 0.156 121.399 121.223 0.033 0.000 2.021 1026 L HA -0.268 4.077 4.340 0.008 0.000 0.215 1026 L C 2.901 179.745 176.870 -0.043 0.000 1.074 1026 L CA 1.556 56.373 54.840 -0.038 0.000 0.760 1026 L CB -0.491 41.433 42.059 -0.225 0.000 0.889 1026 L HN 0.292 nan 8.230 nan 0.000 0.433 1027 I N -0.059 120.392 120.570 -0.198 0.000 2.094 1027 I HA -0.306 3.869 4.170 0.008 0.000 0.234 1027 I C 2.627 178.644 176.117 -0.167 0.000 1.063 1027 I CA 1.651 62.758 61.300 -0.321 0.000 1.328 1027 I CB -0.682 36.871 38.000 -0.745 0.000 1.058 1027 I HN 0.334 nan 8.210 nan 0.000 0.400 1028 E N 0.853 121.019 120.200 -0.057 0.000 2.197 1028 E HA -0.356 3.998 4.350 0.008 0.000 0.205 1028 E C 2.216 178.841 176.600 0.042 0.000 1.029 1028 E CA 2.149 58.628 56.400 0.131 0.000 0.828 1028 E CB -0.758 29.073 29.700 0.219 0.000 0.737 1028 E HN 0.566 nan 8.360 nan 0.000 0.464 1029 C N -0.318 118.985 119.300 0.005 0.000 2.455 1029 C HA -0.121 4.343 4.460 0.008 0.000 0.281 1029 C C 2.605 177.558 174.990 -0.060 0.000 1.237 1029 C CA 0.986 59.989 59.018 -0.024 0.000 1.726 1029 C CB -1.252 26.539 27.740 0.086 0.000 2.068 1029 C HN 0.690 nan 8.230 nan 0.000 0.466 1030 L N 0.752 121.987 121.223 0.020 0.000 1.976 1030 L HA -0.183 4.162 4.340 0.008 0.000 0.223 1030 L C 2.368 179.205 176.870 -0.054 0.000 1.081 1030 L CA 2.449 57.280 54.840 -0.015 0.000 0.784 1030 L CB -1.046 41.043 42.059 0.050 0.000 0.896 1030 L HN 0.484 nan 8.230 nan 0.000 0.438 1031 L N -1.133 120.069 121.223 -0.035 0.000 2.051 1031 L HA -0.272 4.072 4.340 0.008 0.000 0.214 1031 L C 2.492 179.350 176.870 -0.020 0.000 1.076 1031 L CA 2.320 57.159 54.840 -0.002 0.000 0.758 1031 L CB -1.005 41.114 42.059 0.100 0.000 0.890 1031 L HN 0.362 nan 8.230 nan 0.000 0.433 1032 S N -0.446 115.241 115.700 -0.021 0.000 2.353 1032 S HA -0.274 4.200 4.470 0.008 0.000 0.222 1032 S C 1.918 176.471 174.600 -0.078 0.000 1.035 1032 S CA 1.692 59.870 58.200 -0.036 0.000 1.025 1032 S CB -0.433 62.750 63.200 -0.030 0.000 0.902 1032 S HN 0.520 nan 8.310 nan 0.000 0.440 1033 K N 0.943 121.269 120.400 -0.122 0.000 2.052 1033 K HA -0.179 4.146 4.320 0.008 0.000 0.215 1033 K C 1.953 178.462 176.600 -0.152 0.000 1.053 1033 K CA 1.802 57.988 56.287 -0.167 0.000 0.934 1033 K CB -0.502 31.853 32.500 -0.241 0.000 0.717 1033 K HN 0.161 nan 8.250 nan 0.000 0.450 1034 V N 0.901 120.727 119.914 -0.147 0.000 2.392 1034 V HA -0.282 3.843 4.120 0.008 0.000 0.249 1034 V C 2.358 178.354 176.094 -0.165 0.000 1.059 1034 V CA 2.109 64.294 62.300 -0.192 0.000 1.051 1034 V CB -0.586 31.143 31.823 -0.157 0.000 0.658 1034 V HN 0.578 nan 8.190 nan 0.000 0.455 1035 A N -0.710 122.054 122.820 -0.094 0.000 1.970 1035 A HA 0.082 4.407 4.320 0.008 0.000 0.216 1035 A C 2.352 179.913 177.584 -0.039 0.000 1.170 1035 A CA 1.512 53.515 52.037 -0.057 0.000 0.645 1035 A CB -0.503 18.475 19.000 -0.038 0.000 0.816 1035 A HN 0.557 nan 8.150 nan 0.000 0.447 1036 A N -0.316 122.478 122.820 -0.044 0.000 1.969 1036 A HA 0.079 4.403 4.320 0.008 0.000 0.218 1036 A C 2.113 179.702 177.584 0.009 0.000 1.169 1036 A CA 1.327 53.351 52.037 -0.021 0.000 0.635 1036 A CB -0.398 18.580 19.000 -0.036 0.000 0.810 1036 A HN 0.455 nan 8.150 nan 0.000 0.445 1037 L N -0.275 120.952 121.223 0.007 0.000 2.062 1037 L HA -0.082 4.263 4.340 0.008 0.000 0.202 1037 L C 2.905 179.863 176.870 0.148 0.000 1.079 1037 L CA 1.413 56.316 54.840 0.105 0.000 0.755 1037 L CB -0.475 41.682 42.059 0.163 0.000 0.913 1037 L HN 0.511 nan 8.230 nan 0.000 0.445 1038 S N 0.095 115.832 115.700 0.061 0.000 2.547 1038 S HA -0.009 4.466 4.470 0.008 0.000 0.235 1038 S C 1.480 176.120 174.600 0.066 0.000 0.980 1038 S CA 0.419 58.685 58.200 0.109 0.000 0.941 1038 S CB -0.550 62.648 63.200 -0.003 0.000 0.763 1038 S HN 0.581 nan 8.310 nan 0.000 0.532 1039 G N 1.546 110.369 108.800 0.038 0.000 2.295 1039 G HA2 -0.221 3.744 3.960 0.008 0.000 0.287 1039 G HA3 -0.221 3.744 3.960 0.008 0.000 0.287 1039 G C -0.268 174.638 174.900 0.011 0.000 1.055 1039 G CA 0.213 45.328 45.100 0.024 0.000 0.922 1039 G HN 0.586 nan 8.290 nan 0.000 0.503 1040 N N -0.607 118.091 118.700 -0.002 0.000 2.545 1040 N HA 0.489 5.234 4.740 0.008 0.000 0.289 1040 N C -0.214 175.281 175.510 -0.024 0.000 1.279 1040 N CA -0.820 52.223 53.050 -0.011 0.000 0.824 1040 N CB 1.205 39.687 38.487 -0.009 0.000 1.395 1040 N HN 0.424 nan 8.380 nan 0.000 0.526 1041 E N -0.511 119.668 120.200 -0.034 0.000 2.331 1041 E HA 0.421 4.776 4.350 0.008 0.000 0.272 1041 E C -0.089 176.482 176.600 -0.048 0.000 1.036 1041 E CA -0.559 55.810 56.400 -0.051 0.000 0.864 1041 E CB 0.540 30.197 29.700 -0.071 0.000 1.035 1041 E HN 0.609 nan 8.360 nan 0.000 0.408 1042 G N 3.442 112.212 108.800 -0.049 0.000 2.350 1042 G HA2 0.051 4.016 3.960 0.008 0.000 0.306 1042 G HA3 0.051 4.016 3.960 0.008 0.000 0.306 1042 G C -0.510 174.353 174.900 -0.061 0.000 1.094 1042 G CA -0.512 44.573 45.100 -0.024 0.000 0.953 1042 G HN 0.567 nan 8.290 nan 0.000 0.420 1043 D N 2.648 123.018 120.400 -0.050 0.000 2.498 1043 D HA 0.255 4.899 4.640 0.008 0.000 0.229 1043 D C 1.322 177.494 176.300 -0.213 0.000 1.188 1043 D CA -0.159 53.771 54.000 -0.117 0.000 1.028 1043 D CB 0.510 41.268 40.800 -0.071 0.000 1.087 1043 D HN 0.323 nan 8.370 nan 0.000 0.510 1044 A N 2.512 125.086 122.820 -0.411 0.000 2.302 1044 A HA 0.131 4.456 4.320 0.008 0.000 0.219 1044 A C 1.033 178.048 177.584 -0.949 0.000 1.243 1044 A CA -0.356 51.057 52.037 -1.040 0.000 0.856 1044 A CB -0.100 18.477 19.000 -0.705 0.000 0.893 1044 A HN 0.382 nan 8.150 nan 0.000 0.491 1045 S N 2.093 117.496 115.700 -0.496 0.000 2.558 1045 S HA 0.161 4.635 4.470 0.008 0.000 0.288 1045 S C -1.527 172.934 174.600 -0.233 0.000 1.318 1045 S CA -0.635 57.392 58.200 -0.288 0.000 1.056 1045 S CB 0.477 63.582 63.200 -0.159 0.000 0.853 1045 S HN 0.299 nan 8.310 nan 0.000 0.505 1046 P HA -0.084 nan 4.420 nan 0.000 0.209 1046 P C -0.019 177.120 177.300 -0.269 0.000 1.053 1046 P CA 0.718 63.582 63.100 -0.394 0.000 0.855 1046 P CB -0.057 31.219 31.700 -0.707 0.000 0.566 1047 F N 0.263 120.304 119.950 0.151 0.000 2.516 1047 F HA 0.245 4.776 4.527 0.008 0.000 0.351 1047 F C 1.057 176.972 175.800 0.191 0.000 1.208 1047 F CA 0.081 58.158 58.000 0.128 0.000 1.073 1047 F CB -1.570 37.461 39.000 0.052 0.000 1.203 1047 F HN -0.009 nan 8.300 nan 0.000 0.602 1048 T N -1.766 112.960 114.554 0.286 0.000 2.864 1048 T HA 0.315 4.670 4.350 0.008 0.000 0.299 1048 T C -0.762 174.074 174.700 0.226 0.000 1.166 1048 T CA -1.165 61.095 62.100 0.266 0.000 1.007 1048 T CB 1.885 70.889 68.868 0.226 0.000 1.219 1048 T HN 0.099 nan 8.240 nan 0.000 0.506 1049 D N 1.212 121.728 120.400 0.192 0.000 2.551 1049 D HA 0.447 5.092 4.640 0.008 0.000 0.223 1049 D C -0.716 175.676 176.300 0.154 0.000 1.144 1049 D CA 0.145 54.240 54.000 0.159 0.000 1.025 1049 D CB -0.485 40.393 40.800 0.130 0.000 1.085 1049 D HN 0.462 nan 8.370 nan 0.000 0.506 1050 I N 1.381 122.062 120.570 0.185 0.000 2.534 1050 I HA 0.126 4.301 4.170 0.008 0.000 0.286 1050 I C -0.267 175.934 176.117 0.140 0.000 1.094 1050 I CA -0.415 60.988 61.300 0.172 0.000 1.055 1050 I CB 2.057 40.193 38.000 0.227 0.000 1.225 1050 I HN -0.057 nan 8.210 nan 0.000 0.435 1051 T N 4.163 118.761 114.554 0.074 0.000 2.925 1051 T HA 0.306 4.660 4.350 0.008 0.000 0.285 1051 T C 1.279 175.956 174.700 -0.038 0.000 1.021 1051 T CA -0.715 61.402 62.100 0.029 0.000 1.042 1051 T CB 2.526 71.419 68.868 0.042 0.000 1.037 1051 T HN 0.218 nan 8.240 nan 0.000 0.481 1052 V N 1.223 121.086 119.914 -0.085 0.000 2.255 1052 V HA -0.169 3.956 4.120 0.008 0.000 0.247 1052 V C 2.656 178.734 176.094 -0.028 0.000 1.051 1052 V CA 1.676 63.920 62.300 -0.094 0.000 1.018 1052 V CB -0.687 31.071 31.823 -0.109 0.000 0.641 1052 V HN 0.816 nan 8.190 nan 0.000 0.445 1053 E N 0.888 121.086 120.200 -0.004 0.000 2.045 1053 E HA -0.294 4.060 4.350 0.008 0.000 0.212 1053 E C 2.383 178.996 176.600 0.022 0.000 1.039 1053 E CA 1.970 58.381 56.400 0.018 0.000 0.860 1053 E CB -1.300 28.415 29.700 0.026 0.000 0.776 1053 E HN 0.584 nan 8.360 nan 0.000 0.467 1054 G N 1.507 110.323 108.800 0.025 0.000 2.596 1054 G HA2 -0.286 3.679 3.960 0.008 0.000 0.223 1054 G HA3 -0.286 3.679 3.960 0.008 0.000 0.223 1054 G C 1.547 176.463 174.900 0.026 0.000 1.120 1054 G CA 1.248 46.368 45.100 0.033 0.000 0.752 1054 G HN 0.144 nan 8.290 nan 0.000 0.596 1055 I N 1.032 121.607 120.570 0.009 0.000 2.277 1055 I HA -0.038 4.137 4.170 0.008 0.000 0.243 1055 I C 2.951 179.076 176.117 0.014 0.000 1.094 1055 I CA 1.072 62.373 61.300 0.001 0.000 1.393 1055 I CB -1.170 36.815 38.000 -0.025 0.000 1.078 1055 I HN 0.126 nan 8.210 nan 0.000 0.417 1056 S N 1.257 116.972 115.700 0.025 0.000 2.359 1056 S HA -0.251 4.224 4.470 0.008 0.000 0.222 1056 S C 1.899 176.535 174.600 0.060 0.000 1.038 1056 S CA 1.569 59.798 58.200 0.050 0.000 1.051 1056 S CB -0.365 62.867 63.200 0.054 0.000 0.944 1056 S HN 0.410 nan 8.310 nan 0.000 0.433 1057 K N 0.864 121.296 120.400 0.053 0.000 2.127 1057 K HA -0.125 4.200 4.320 0.008 0.000 0.208 1057 K C 2.034 178.678 176.600 0.072 0.000 1.047 1057 K CA 1.260 57.582 56.287 0.059 0.000 0.927 1057 K CB -0.478 32.052 32.500 0.050 0.000 0.716 1057 K HN 0.333 nan 8.250 nan 0.000 0.450 1058 L N 0.190 121.451 121.223 0.062 0.000 2.023 1058 L HA -0.145 4.200 4.340 0.008 0.000 0.205 1058 L C 2.382 179.308 176.870 0.093 0.000 1.073 1058 L CA 0.487 55.370 54.840 0.071 0.000 0.745 1058 L CB -0.449 41.623 42.059 0.021 0.000 0.900 1058 L HN 0.155 nan 8.230 nan 0.000 0.435 1059 L N 0.235 121.494 121.223 0.059 0.000 2.265 1059 L HA -0.174 4.171 4.340 0.008 0.000 0.215 1059 L C 2.580 179.568 176.870 0.198 0.000 1.117 1059 L CA 1.483 56.382 54.840 0.099 0.000 0.782 1059 L CB -0.614 41.476 42.059 0.052 0.000 0.914 1059 L HN 0.102 nan 8.230 nan 0.000 0.441 1060 R N 0.419 121.010 120.500 0.151 0.000 2.061 1060 R HA -0.162 4.183 4.340 0.008 0.000 0.230 1060 R C 2.207 178.591 176.300 0.140 0.000 1.140 1060 R CA 1.975 58.158 56.100 0.138 0.000 0.940 1060 R CB -0.746 29.612 30.300 0.096 0.000 0.839 1060 R HN 0.473 nan 8.270 nan 0.000 0.429 1061 E N -0.815 119.468 120.200 0.139 0.000 2.339 1061 E HA -0.217 4.137 4.350 0.008 0.000 0.201 1061 E C 0.979 177.646 176.600 0.112 0.000 1.015 1061 E CA 1.118 57.589 56.400 0.117 0.000 0.841 1061 E CB -0.098 29.686 29.700 0.140 0.000 0.754 1061 E HN 0.483 nan 8.360 nan 0.000 0.508 1062 H N -1.919 117.200 119.070 0.082 0.000 2.517 1062 H HA 0.134 4.695 4.556 0.008 0.000 0.282 1062 H C 1.073 176.460 175.328 0.098 0.000 1.023 1062 H CA 0.589 56.704 56.048 0.111 0.000 1.169 1062 H CB 1.023 30.882 29.762 0.161 0.000 1.454 1062 H HN 0.350 nan 8.280 nan 0.000 0.556 1063 G N 0.338 109.180 108.800 0.071 0.000 2.194 1063 G HA2 -0.250 3.715 3.960 0.008 0.000 0.236 1063 G HA3 -0.250 3.715 3.960 0.008 0.000 0.236 1063 G C -0.464 174.239 174.900 -0.328 0.000 0.987 1063 G CA -0.023 44.976 45.100 -0.169 0.000 0.635 1063 G HN 0.321 nan 8.290 nan 0.000 0.520 1064 Y N 0.081 120.424 120.300 0.072 0.000 2.630 1064 Y HA 0.666 5.221 4.550 0.008 0.000 0.337 1064 Y C 0.431 176.373 175.900 0.069 0.000 1.051 1064 Y CA -0.878 57.259 58.100 0.062 0.000 1.121 1064 Y CB 0.743 39.238 38.460 0.059 0.000 1.299 1064 Y HN 0.262 nan 8.280 nan 0.000 0.498 1065 Q N -0.254 119.703 119.800 0.262 0.000 2.314 1065 Q HA 0.256 4.601 4.340 0.008 0.000 0.258 1065 Q C 0.654 176.777 176.000 0.206 0.000 0.954 1065 Q CA 0.125 56.041 55.803 0.188 0.000 0.890 1065 Q CB 1.468 30.302 28.738 0.161 0.000 1.210 1065 Q HN 0.682 nan 8.270 nan 0.000 0.410 1066 S N 3.228 119.024 115.700 0.161 0.000 2.584 1066 S HA -0.060 4.414 4.470 0.008 0.000 0.240 1066 S C 0.400 175.095 174.600 0.158 0.000 0.975 1066 S CA 0.331 58.616 58.200 0.141 0.000 0.949 1066 S CB -0.087 63.175 63.200 0.103 0.000 0.761 1066 S HN 0.681 nan 8.310 nan 0.000 0.536 1067 R N -0.247 120.398 120.500 0.243 0.000 2.590 1067 R HA 0.336 4.681 4.340 0.008 0.000 0.410 1067 R C 1.253 177.776 176.300 0.370 0.000 1.010 1067 R CA 0.322 56.597 56.100 0.291 0.000 1.155 1067 R CB -0.197 30.316 30.300 0.354 0.000 1.455 1067 R HN 0.506 nan 8.270 nan 0.000 0.567 1068 G N 1.192 110.137 108.800 0.241 0.000 2.141 1068 G HA2 -0.282 3.682 3.960 0.008 0.000 0.242 1068 G HA3 -0.282 3.682 3.960 0.008 0.000 0.242 1068 G C -0.115 174.728 174.900 -0.095 0.000 0.982 1068 G CA -0.224 44.861 45.100 -0.025 0.000 0.662 1068 G HN 0.207 nan 8.290 nan 0.000 0.527 1069 F N 0.797 120.843 119.950 0.160 0.000 2.371 1069 F HA 0.683 5.214 4.527 0.008 0.000 0.329 1069 F C 0.885 176.714 175.800 0.048 0.000 1.107 1069 F CA -0.269 57.804 58.000 0.121 0.000 1.137 1069 F CB 1.059 40.128 39.000 0.115 0.000 1.214 1069 F HN 0.069 nan 8.300 nan 0.000 0.536 1070 E N 0.500 120.810 120.200 0.183 0.000 2.304 1070 E HA 0.346 4.701 4.350 0.008 0.000 0.277 1070 E C -1.523 175.062 176.600 -0.026 0.000 0.898 1070 E CA -0.810 55.613 56.400 0.039 0.000 0.764 1070 E CB 2.620 32.237 29.700 -0.139 0.000 1.216 1070 E HN 0.234 nan 8.360 nan 0.000 0.419 1071 V N 4.531 124.415 119.914 -0.050 0.000 2.485 1071 V HA 0.107 4.232 4.120 0.008 0.000 0.287 1071 V C 0.307 176.250 176.094 -0.252 0.000 1.022 1071 V CA 0.606 62.815 62.300 -0.152 0.000 1.067 1071 V CB 0.071 31.795 31.823 -0.165 0.000 0.967 1071 V HN 0.619 nan 8.190 nan 0.000 0.479 1072 M N 4.951 124.353 119.600 -0.330 0.000 2.598 1072 M HA 0.517 5.002 4.480 0.008 0.000 0.317 1072 M C -1.403 174.552 176.300 -0.575 0.000 1.179 1072 M CA -0.573 54.509 55.300 -0.363 0.000 0.936 1072 M CB 2.400 34.861 32.600 -0.231 0.000 1.713 1072 M HN 0.508 nan 8.290 nan 0.000 0.460 1073 Y N 1.067 120.982 120.300 -0.641 0.000 2.328 1073 Y HA 0.265 4.820 4.550 0.008 0.000 0.337 1073 Y C 0.565 176.184 175.900 -0.470 0.000 0.966 1073 Y CA -0.980 56.737 58.100 -0.637 0.000 1.136 1073 Y CB 0.613 38.472 38.460 -1.000 0.000 1.170 1073 Y HN 0.611 nan 8.280 nan 0.000 0.470 1074 N N 1.397 120.094 118.700 -0.005 0.000 2.329 1074 N HA -0.051 4.693 4.740 0.008 0.000 0.237 1074 N C 0.919 176.570 175.510 0.235 0.000 1.258 1074 N CA 1.054 54.202 53.050 0.162 0.000 0.866 1074 N CB 1.358 39.951 38.487 0.176 0.000 1.102 1074 N HN 0.991 nan 8.380 nan 0.000 0.440 1075 G N 1.541 110.481 108.800 0.233 0.000 2.656 1075 G HA2 -0.080 3.885 3.960 0.008 0.000 0.211 1075 G HA3 -0.080 3.885 3.960 0.008 0.000 0.211 1075 G C 1.118 176.062 174.900 0.074 0.000 1.137 1075 G CA 0.008 45.252 45.100 0.239 0.000 0.802 1075 G HN 0.727 nan 8.290 nan 0.000 0.527 1076 H N 0.236 119.391 119.070 0.141 0.000 2.422 1076 H HA -0.043 4.518 4.556 0.007 0.000 0.298 1076 H C 2.272 177.641 175.328 0.069 0.000 1.098 1076 H CA 1.735 57.817 56.048 0.056 0.000 1.315 1076 H CB -0.042 29.725 29.762 0.008 0.000 1.382 1076 H HN 0.368 nan 8.280 nan 0.000 0.523 1077 T N -2.621 112.064 114.554 0.218 0.000 3.057 1077 T HA 0.318 4.672 4.350 0.008 0.000 0.254 1077 T C 1.580 176.375 174.700 0.158 0.000 0.965 1077 T CA 1.176 63.375 62.100 0.165 0.000 0.978 1077 T CB 0.200 69.157 68.868 0.148 0.000 1.169 1077 T HN 0.560 nan 8.240 nan 0.000 0.489 1078 G N 1.735 110.665 108.800 0.217 0.000 2.317 1078 G HA2 -0.225 3.740 3.960 0.008 0.000 0.227 1078 G HA3 -0.225 3.740 3.960 0.008 0.000 0.227 1078 G C 0.200 175.246 174.900 0.243 0.000 1.042 1078 G CA 0.395 45.645 45.100 0.250 0.000 0.623 1078 G HN 0.684 nan 8.290 nan 0.000 0.509 1079 K N 1.966 122.464 120.400 0.164 0.000 2.436 1079 K HA 0.349 4.673 4.320 0.008 0.000 0.282 1079 K C 0.876 177.516 176.600 0.067 0.000 1.044 1079 K CA -0.147 56.211 56.287 0.118 0.000 1.028 1079 K CB 0.218 32.760 32.500 0.069 0.000 0.919 1079 K HN 0.340 nan 8.250 nan 0.000 0.474 1080 K N 3.053 123.464 120.400 0.019 0.000 2.508 1080 K HA -0.050 4.275 4.320 0.008 0.000 0.273 1080 K C -0.203 176.258 176.600 -0.232 0.000 0.964 1080 K CA 0.252 56.349 56.287 -0.316 0.000 0.948 1080 K CB 0.350 32.639 32.500 -0.352 0.000 0.917 1080 K HN 0.521 nan 8.250 nan 0.000 0.512 1081 L N 4.378 125.409 121.223 -0.321 0.000 2.264 1081 L HA 0.073 4.418 4.340 0.008 0.000 0.289 1081 L C 1.499 178.290 176.870 -0.130 0.000 1.044 1081 L CA -0.480 54.263 54.840 -0.162 0.000 0.807 1081 L CB 1.157 43.146 42.059 -0.117 0.000 1.192 1081 L HN 0.778 nan 8.230 nan 0.000 0.425 1082 M N 2.272 121.828 119.600 -0.074 0.000 2.192 1082 M HA -0.165 4.319 4.480 0.008 0.000 0.256 1082 M C 0.683 176.956 176.300 -0.045 0.000 1.076 1082 M CA 1.313 56.582 55.300 -0.053 0.000 1.075 1082 M CB -0.655 31.929 32.600 -0.028 0.000 1.368 1082 M HN 0.657 nan 8.290 nan 0.000 0.406 1083 A N -0.202 122.601 122.820 -0.028 0.000 2.374 1083 A HA 0.577 4.902 4.320 0.008 0.000 0.317 1083 A C -0.383 177.209 177.584 0.013 0.000 1.094 1083 A CA -0.789 51.245 52.037 -0.005 0.000 0.765 1083 A CB 0.925 19.942 19.000 0.027 0.000 1.268 1083 A HN 0.317 nan 8.150 nan 0.000 0.438 1084 Q N 0.062 119.886 119.800 0.039 0.000 2.443 1084 Q HA 0.629 4.974 4.340 0.008 0.000 0.232 1084 Q C -0.725 175.444 176.000 0.281 0.000 1.026 1084 Q CA 0.595 56.472 55.803 0.124 0.000 0.924 1084 Q CB 0.638 29.445 28.738 0.114 0.000 1.256 1084 Q HN 0.597 nan 8.270 nan 0.000 0.519 1085 I N 0.658 121.395 120.570 0.278 0.000 2.647 1085 I HA 0.301 4.476 4.170 0.008 0.000 0.295 1085 I C -1.009 175.210 176.117 0.171 0.000 1.078 1085 I CA -1.010 60.420 61.300 0.217 0.000 1.048 1085 I CB 1.431 39.506 38.000 0.125 0.000 1.239 1085 I HN 0.471 nan 8.210 nan 0.000 0.421 1086 F N 6.468 126.336 119.950 -0.135 0.000 2.443 1086 F HA 0.436 4.967 4.527 0.008 0.000 0.353 1086 F C -0.886 174.921 175.800 0.012 0.000 1.101 1086 F CA -0.007 57.841 58.000 -0.253 0.000 1.226 1086 F CB 0.476 39.243 39.000 -0.388 0.000 1.140 1086 F HN 0.249 nan 8.300 nan 0.000 0.557 1087 F N 4.634 124.127 119.950 -0.762 0.000 2.749 1087 F HA 0.574 5.106 4.527 0.008 0.000 0.339 1087 F C -0.668 174.793 175.800 -0.564 0.000 1.211 1087 F CA -0.322 57.396 58.000 -0.470 0.000 1.099 1087 F CB 1.123 39.962 39.000 -0.269 0.000 1.359 1087 F HN 0.670 nan 8.300 nan 0.000 0.549 1088 G N 4.627 113.055 108.800 -0.620 0.000 2.608 1088 G HA2 0.624 4.589 3.960 0.008 0.000 0.291 1088 G HA3 0.624 4.589 3.960 0.008 0.000 0.291 1088 G C -3.489 171.188 174.900 -0.371 0.000 1.425 1088 G CA -1.403 43.430 45.100 -0.444 0.000 0.787 1088 G HN 0.238 nan 8.290 nan 0.000 0.484 1089 P HA 0.427 nan 4.420 nan 0.000 0.274 1089 P C -0.795 176.451 177.300 -0.090 0.000 1.231 1089 P CA -0.040 62.968 63.100 -0.154 0.000 0.790 1089 P CB 1.278 32.922 31.700 -0.092 0.000 0.951 1090 T N -0.066 114.485 114.554 -0.006 0.000 4.209 1090 T HA 0.046 4.401 4.350 0.008 0.000 0.319 1090 T C -0.757 174.099 174.700 0.261 0.000 0.730 1090 T CA -0.458 61.692 62.100 0.083 0.000 0.949 1090 T CB -1.002 67.888 68.868 0.035 0.000 1.110 1090 T HN 0.220 nan 8.240 nan 0.000 0.470 1091 Y N 3.096 123.464 120.300 0.113 0.000 2.887 1091 Y HA 0.148 4.703 4.550 0.008 0.000 0.350 1091 Y C -0.610 175.437 175.900 0.245 0.000 1.294 1091 Y CA 0.568 58.769 58.100 0.168 0.000 1.622 1091 Y CB -0.036 38.494 38.460 0.116 0.000 1.201 1091 Y HN 0.636 nan 8.280 nan 0.000 0.546 1092 Y N 4.518 124.776 120.300 -0.070 0.000 2.391 1092 Y HA 0.335 4.889 4.550 0.008 0.000 0.341 1092 Y C -0.633 175.309 175.900 0.069 0.000 0.965 1092 Y CA -0.969 57.175 58.100 0.074 0.000 1.067 1092 Y CB 1.468 40.043 38.460 0.192 0.000 1.199 1092 Y HN 0.453 nan 8.280 nan 0.000 0.450 1093 Q N 4.099 123.932 119.800 0.055 0.000 2.325 1093 Q HA 0.437 4.782 4.340 0.008 0.000 0.262 1093 Q C -0.682 175.237 176.000 -0.136 0.000 0.968 1093 Q CA -1.033 54.752 55.803 -0.030 0.000 0.877 1093 Q CB 2.269 31.015 28.738 0.013 0.000 1.253 1093 Q HN 0.528 nan 8.270 nan 0.000 0.448 1094 R N 3.639 123.910 120.500 -0.381 0.000 2.316 1094 R HA 0.256 4.601 4.340 0.008 0.000 0.314 1094 R C -0.763 175.383 176.300 -0.257 0.000 1.069 1094 R CA -0.057 55.746 56.100 -0.494 0.000 0.959 1094 R CB 0.319 30.234 30.300 -0.641 0.000 0.987 1094 R HN 0.623 nan 8.270 nan 0.000 0.446 1095 L N 4.019 125.083 121.223 -0.266 0.000 2.431 1095 L HA 0.473 4.818 4.340 0.008 0.000 0.260 1095 L C 0.880 177.668 176.870 -0.135 0.000 1.098 1095 L CA -1.060 53.710 54.840 -0.118 0.000 0.800 1095 L CB 0.988 43.014 42.059 -0.056 0.000 1.210 1095 L HN 0.710 nan 8.230 nan 0.000 0.465 1096 R N -0.361 120.074 120.500 -0.108 0.000 2.828 1096 R HA 0.173 4.518 4.340 0.008 0.000 0.270 1096 R C -0.657 175.523 176.300 -0.201 0.000 1.244 1096 R CA -0.159 55.817 56.100 -0.207 0.000 1.143 1096 R CB 0.043 30.052 30.300 -0.485 0.000 1.128 1096 R HN 0.678 nan 8.270 nan 0.000 0.587 1097 H N -1.530 117.423 119.070 -0.195 0.000 3.113 1097 H HA -0.103 4.457 4.556 0.008 0.000 0.358 1097 H C -0.991 174.223 175.328 -0.191 0.000 1.239 1097 H CA 0.688 56.629 56.048 -0.178 0.000 1.199 1097 H CB -1.694 27.975 29.762 -0.155 0.000 1.577 1097 H HN 0.504 nan 8.280 nan 0.000 0.430 1098 M N 0.892 120.423 119.600 -0.116 0.000 2.314 1098 M HA 0.175 4.659 4.480 0.008 0.000 0.342 1098 M C 2.085 178.338 176.300 -0.079 0.000 1.171 1098 M CA -0.509 54.715 55.300 -0.127 0.000 1.098 1098 M CB 1.290 33.789 32.600 -0.167 0.000 1.559 1098 M HN 0.133 nan 8.290 nan 0.000 0.459 1099 V N 0.026 119.904 119.914 -0.060 0.000 2.252 1099 V HA -0.269 3.856 4.120 0.008 0.000 0.249 1099 V C 1.474 177.547 176.094 -0.034 0.000 1.056 1099 V CA 1.899 64.179 62.300 -0.034 0.000 1.022 1099 V CB -0.753 31.058 31.823 -0.020 0.000 0.641 1099 V HN 0.853 nan 8.190 nan 0.000 0.445 1100 D N 0.338 120.711 120.400 -0.046 0.000 2.311 1100 D HA -0.137 4.507 4.640 0.008 0.000 0.212 1100 D C 1.519 177.792 176.300 -0.045 0.000 0.972 1100 D CA 1.221 55.198 54.000 -0.038 0.000 0.887 1100 D CB -0.272 40.503 40.800 -0.041 0.000 0.915 1100 D HN 0.536 nan 8.370 nan 0.000 0.497 1101 D N -0.383 119.974 120.400 -0.072 0.000 2.349 1101 D HA -0.006 4.639 4.640 0.008 0.000 0.224 1101 D C 1.640 177.917 176.300 -0.038 0.000 1.029 1101 D CA 0.407 54.360 54.000 -0.077 0.000 0.879 1101 D CB 0.357 41.075 40.800 -0.136 0.000 0.906 1101 D HN 0.288 nan 8.370 nan 0.000 0.528 1102 K N -0.083 120.310 120.400 -0.012 0.000 2.424 1102 K HA 0.130 4.455 4.320 0.008 0.000 0.200 1102 K C 0.555 177.185 176.600 0.051 0.000 1.279 1102 K CA -0.302 55.995 56.287 0.017 0.000 0.918 1102 K CB 0.867 33.376 32.500 0.014 0.000 1.287 1102 K HN -0.024 nan 8.250 nan 0.000 0.502 1103 I N 4.846 125.437 120.570 0.034 0.000 3.352 1103 I HA -0.136 4.038 4.170 0.008 0.000 0.289 1103 I C 0.175 176.350 176.117 0.098 0.000 1.203 1103 I CA 0.976 62.303 61.300 0.044 0.000 1.454 1103 I CB -2.218 35.795 38.000 0.022 0.000 1.519 1103 I HN 0.192 nan 8.210 nan 0.000 0.628 1104 H N 5.510 124.575 119.070 -0.008 0.000 2.538 1104 H HA 0.831 5.391 4.556 0.007 0.000 0.353 1104 H C -1.254 174.072 175.328 -0.003 0.000 1.109 1104 H CA -0.849 55.195 56.048 -0.007 0.000 1.192 1104 H CB 1.791 31.548 29.762 -0.007 0.000 1.555 1104 H HN 0.626 nan 8.280 nan 0.000 0.518 1105 A N 4.688 127.426 122.820 -0.136 0.000 2.515 1105 A HA 0.750 5.074 4.320 0.008 0.000 0.298 1105 A C -1.125 176.394 177.584 -0.108 0.000 1.059 1105 A CA -0.850 51.026 52.037 -0.268 0.000 0.698 1105 A CB 1.615 20.567 19.000 -0.079 0.000 1.289 1105 A HN 0.863 nan 8.150 nan 0.000 0.404 1106 R N 0.516 120.942 120.500 -0.123 0.000 2.668 1106 R HA 0.729 5.074 4.340 0.008 0.000 0.272 1106 R C -1.448 174.842 176.300 -0.017 0.000 1.019 1106 R CA 0.046 56.153 56.100 0.011 0.000 0.894 1106 R CB 2.012 32.362 30.300 0.084 0.000 1.228 1106 R HN 1.479 nan 8.270 nan 0.000 0.460 1107 A N 4.325 127.146 122.820 0.002 0.000 2.943 1107 A HA 0.477 4.801 4.320 0.008 0.000 0.327 1107 A C -0.738 176.845 177.584 -0.002 0.000 1.141 1107 A CA -0.414 51.618 52.037 -0.008 0.000 0.773 1107 A CB 0.337 19.333 19.000 -0.007 0.000 1.143 1107 A HN 0.950 nan 8.150 nan 0.000 0.463 1108 R N 0.115 120.613 120.500 -0.004 0.000 1.156 1108 R HA -0.066 4.279 4.340 0.008 0.000 0.422 1108 R C 0.006 176.309 176.300 0.006 0.000 1.346 1108 R CA 0.933 57.031 56.100 -0.003 0.000 1.139 1108 R CB -1.016 29.279 30.300 -0.007 0.000 3.355 1108 R HN 1.762 nan 8.270 nan 0.000 0.502 1109 G N 4.024 112.827 108.800 0.004 0.000 3.039 1109 G HA2 0.715 4.680 3.960 0.008 0.000 0.202 1109 G HA3 0.715 4.680 3.960 0.008 0.000 0.202 1109 G C -2.802 172.095 174.900 -0.005 0.000 1.151 1109 G CA -0.333 44.770 45.100 0.004 0.000 0.836 1109 G HN 0.555 nan 8.290 nan 0.000 0.598 1110 P HA 0.497 nan 4.420 nan 0.000 0.284 1110 P C -0.651 176.634 177.300 -0.024 0.000 1.258 1110 P CA -0.330 62.760 63.100 -0.017 0.000 0.824 1110 P CB 1.411 33.100 31.700 -0.018 0.000 1.038 1111 M N 0.532 120.109 119.600 -0.039 0.000 2.573 1111 M HA 0.339 4.824 4.480 0.008 0.000 0.309 1111 M C 0.791 177.061 176.300 -0.049 0.000 1.202 1111 M CA -0.776 54.493 55.300 -0.052 0.000 0.975 1111 M CB 0.649 33.197 32.600 -0.086 0.000 1.600 1111 M HN 0.407 nan 8.290 nan 0.000 0.479 1112 Q N 0.018 119.789 119.800 -0.049 0.000 2.526 1112 Q HA 0.225 4.570 4.340 0.008 0.000 0.207 1112 Q C 1.044 177.003 176.000 -0.067 0.000 1.078 1112 Q CA -0.348 55.430 55.803 -0.043 0.000 1.041 1112 Q CB 0.923 29.645 28.738 -0.026 0.000 1.228 1112 Q HN 0.588 nan 8.270 nan 0.000 0.603 1113 V N -0.796 119.087 119.914 -0.051 0.000 2.672 1113 V HA -0.093 4.031 4.120 0.008 0.000 0.242 1113 V C 1.772 177.825 176.094 -0.069 0.000 1.059 1113 V CA 0.437 62.697 62.300 -0.067 0.000 1.081 1113 V CB -0.472 31.330 31.823 -0.036 0.000 0.752 1113 V HN 0.551 nan 8.190 nan 0.000 0.472 1114 L N 1.552 122.766 121.223 -0.016 0.000 2.005 1114 L HA -0.078 4.266 4.340 0.008 0.000 0.207 1114 L C 2.513 179.444 176.870 0.103 0.000 1.072 1114 L CA 2.913 57.778 54.840 0.042 0.000 0.744 1114 L CB -0.946 41.139 42.059 0.042 0.000 0.895 1114 L HN 0.522 nan 8.230 nan 0.000 0.433 1115 T N -2.423 112.160 114.554 0.047 0.000 2.976 1115 T HA 0.067 4.421 4.350 0.008 0.000 0.257 1115 T C 0.921 175.624 174.700 0.005 0.000 1.051 1115 T CA 0.338 62.504 62.100 0.110 0.000 1.141 1115 T CB -0.011 68.891 68.868 0.057 0.000 0.881 1115 T HN 0.315 nan 8.240 nan 0.000 0.461 1116 R N 0.620 121.011 120.500 -0.183 0.000 3.908 1116 R HA -0.117 4.227 4.340 0.008 0.000 0.381 1116 R C -0.351 175.879 176.300 -0.117 0.000 1.135 1116 R CA 0.367 56.307 56.100 -0.268 0.000 0.990 1116 R CB -2.130 27.829 30.300 -0.568 0.000 1.557 1116 R HN 0.522 nan 8.270 nan 0.000 0.535 1117 Q N 0.709 120.477 119.800 -0.055 0.000 2.199 1117 Q HA 0.399 4.743 4.340 0.008 0.000 0.232 1117 Q C -2.298 173.687 176.000 -0.026 0.000 0.969 1117 Q CA -1.989 53.800 55.803 -0.023 0.000 0.925 1117 Q CB 0.983 29.722 28.738 0.003 0.000 1.198 1117 Q HN -0.115 nan 8.270 nan 0.000 0.494 1118 P HA 0.014 nan 4.420 nan 0.000 0.274 1118 P C -0.876 176.425 177.300 0.002 0.000 1.237 1118 P CA -0.368 62.729 63.100 -0.005 0.000 0.793 1118 P CB 0.520 32.224 31.700 0.007 0.000 0.977 1119 V N -1.402 118.513 119.914 0.001 0.000 2.834 1119 V HA 0.342 4.467 4.120 0.008 0.000 0.301 1119 V C 0.363 176.461 176.094 0.007 0.000 1.066 1119 V CA -0.558 61.740 62.300 -0.002 0.000 1.052 1119 V CB 0.513 32.328 31.823 -0.012 0.000 1.021 1119 V HN 0.454 nan 8.190 nan 0.000 0.480 1120 E N 1.405 121.606 120.200 0.001 0.000 2.349 1120 E HA 0.518 4.872 4.350 0.008 0.000 0.265 1120 E C 0.412 177.006 176.600 -0.010 0.000 1.064 1120 E CA 0.647 57.050 56.400 0.005 0.000 0.886 1120 E CB 1.183 30.884 29.700 0.003 0.000 1.036 1120 E HN 1.604 nan 8.360 nan 0.000 0.413 1121 G N 2.118 110.915 108.800 -0.005 0.000 2.755 1121 G HA2 -0.282 3.683 3.960 0.008 0.000 0.686 1121 G HA3 -0.282 3.683 3.960 0.008 0.000 0.686 1121 G C 0.355 175.193 174.900 -0.104 0.000 1.427 1121 G CA 0.213 45.292 45.100 -0.035 0.000 0.873 1121 G HN 0.767 nan 8.290 nan 0.000 0.580 1122 R N -0.181 120.207 120.500 -0.186 0.000 2.193 1122 R HA 0.089 4.434 4.340 0.008 0.000 0.213 1122 R C 2.666 178.755 176.300 -0.352 0.000 1.055 1122 R CA 2.010 57.791 56.100 -0.531 0.000 0.995 1122 R CB -0.386 29.624 30.300 -0.484 0.000 0.893 1122 R HN 1.160 nan 8.270 nan 0.000 0.459 1123 S N 0.605 116.196 115.700 -0.182 0.000 2.440 1123 S HA -0.104 4.370 4.470 0.008 0.000 0.238 1123 S C 1.185 175.720 174.600 -0.109 0.000 1.010 1123 S CA 0.774 58.902 58.200 -0.120 0.000 0.972 1123 S CB -0.089 63.066 63.200 -0.075 0.000 0.774 1123 S HN 0.437 nan 8.310 nan 0.000 0.501 1124 R N 1.271 121.700 120.500 -0.120 0.000 2.791 1124 R HA 0.341 4.686 4.340 0.008 0.000 0.357 1124 R C -0.619 175.620 176.300 -0.102 0.000 1.173 1124 R CA 0.220 56.266 56.100 -0.090 0.000 1.060 1124 R CB -0.402 29.863 30.300 -0.058 0.000 1.406 1124 R HN 0.413 nan 8.270 nan 0.000 0.580 1125 D N -0.008 120.296 120.400 -0.161 0.000 2.890 1125 D HA -0.170 4.474 4.640 0.008 0.000 0.226 1125 D C 0.643 176.922 176.300 -0.035 0.000 1.207 1125 D CA 1.030 54.959 54.000 -0.118 0.000 0.764 1125 D CB -0.516 40.258 40.800 -0.042 0.000 0.948 1125 D HN 0.480 nan 8.370 nan 0.000 0.404 1126 G N 0.926 109.663 108.800 -0.106 0.000 2.529 1126 G HA2 0.634 4.598 3.960 0.008 0.000 0.234 1126 G HA3 0.634 4.598 3.960 0.008 0.000 0.234 1126 G C 0.534 175.543 174.900 0.181 0.000 1.527 1126 G CA -0.110 45.024 45.100 0.057 0.000 1.062 1126 G HN 0.832 nan 8.290 nan 0.000 0.558 1127 G N -1.787 107.111 108.800 0.163 0.000 2.733 1127 G HA2 0.519 4.483 3.960 0.008 0.000 0.297 1127 G HA3 0.519 4.483 3.960 0.008 0.000 0.297 1127 G C -1.496 173.461 174.900 0.095 0.000 1.422 1127 G CA -0.705 44.456 45.100 0.102 0.000 0.942 1127 G HN 0.500 nan 8.290 nan 0.000 0.510 1128 L N 1.234 122.491 121.223 0.056 0.000 2.307 1128 L HA 0.531 4.875 4.340 0.008 0.000 0.282 1128 L C 0.975 177.891 176.870 0.078 0.000 1.051 1128 L CA -0.897 53.979 54.840 0.061 0.000 0.804 1128 L CB 1.592 43.670 42.059 0.031 0.000 1.197 1128 L HN 0.466 nan 8.230 nan 0.000 0.431 1129 R N 2.852 123.400 120.500 0.080 0.000 2.296 1129 R HA 0.072 4.417 4.340 0.008 0.000 0.323 1129 R C -0.789 175.599 176.300 0.146 0.000 1.067 1129 R CA -0.441 55.713 56.100 0.090 0.000 0.946 1129 R CB 0.266 30.595 30.300 0.049 0.000 0.991 1129 R HN 0.367 nan 8.270 nan 0.000 0.448 1130 F N 5.091 125.035 119.950 -0.010 0.000 2.566 1130 F HA 0.282 4.814 4.527 0.008 0.000 0.349 1130 F C 0.494 176.290 175.800 -0.007 0.000 1.245 1130 F CA -0.530 57.465 58.000 -0.009 0.000 1.169 1130 F CB 0.106 39.090 39.000 -0.027 0.000 1.470 1130 F HN 0.608 nan 8.300 nan 0.000 0.634 1131 G N 4.147 112.822 108.800 -0.209 0.000 2.483 1131 G HA2 0.019 3.983 3.960 0.008 0.000 0.248 1131 G HA3 0.019 3.983 3.960 0.008 0.000 0.248 1131 G C 0.869 175.589 174.900 -0.300 0.000 1.248 1131 G CA -0.346 44.639 45.100 -0.191 0.000 0.838 1131 G HN 0.722 nan 8.290 nan 0.000 0.566 1132 E N 0.841 120.931 120.200 -0.183 0.000 2.149 1132 E HA -0.334 4.021 4.350 0.008 0.000 0.215 1132 E C 2.243 178.723 176.600 -0.199 0.000 1.055 1132 E CA 1.919 58.221 56.400 -0.164 0.000 0.870 1132 E CB -0.058 29.586 29.700 -0.093 0.000 0.764 1132 E HN 0.661 nan 8.360 nan 0.000 0.463 1133 M N 0.307 119.803 119.600 -0.173 0.000 2.202 1133 M HA -0.208 4.277 4.480 0.008 0.000 0.262 1133 M C 1.680 177.856 176.300 -0.207 0.000 1.063 1133 M CA 1.484 56.693 55.300 -0.152 0.000 1.097 1133 M CB 0.133 32.666 32.600 -0.112 0.000 1.382 1133 M HN -0.050 nan 8.290 nan 0.000 0.413 1134 E N -0.066 119.931 120.200 -0.338 0.000 2.047 1134 E HA -0.187 4.168 4.350 0.008 0.000 0.191 1134 E C 1.885 178.190 176.600 -0.491 0.000 0.987 1134 E CA 1.203 57.327 56.400 -0.460 0.000 0.799 1134 E CB -0.487 28.760 29.700 -0.755 0.000 0.752 1134 E HN 0.443 nan 8.360 nan 0.000 0.449 1135 R N 1.001 121.122 120.500 -0.632 0.000 2.096 1135 R HA -0.218 4.126 4.340 0.008 0.000 0.240 1135 R C 1.171 177.429 176.300 -0.071 0.000 1.139 1135 R CA 2.050 57.987 56.100 -0.270 0.000 0.952 1135 R CB -0.364 29.827 30.300 -0.182 0.000 0.854 1135 R HN 0.106 nan 8.270 nan 0.000 0.436 1136 D N 0.139 120.477 120.400 -0.103 0.000 2.203 1136 D HA -0.186 4.458 4.640 0.008 0.000 0.199 1136 D C 1.793 178.061 176.300 -0.053 0.000 0.997 1136 D CA 1.500 55.464 54.000 -0.060 0.000 0.863 1136 D CB -0.406 40.351 40.800 -0.071 0.000 0.928 1136 D HN 0.403 nan 8.370 nan 0.000 0.458 1137 C N -0.201 119.049 119.300 -0.082 0.000 2.563 1137 C HA 0.158 4.622 4.460 0.008 0.000 0.268 1137 C C 2.300 177.222 174.990 -0.112 0.000 1.365 1137 C CA -0.223 58.713 59.018 -0.137 0.000 1.754 1137 C CB -0.485 27.151 27.740 -0.174 0.000 1.932 1137 C HN 0.246 nan 8.230 nan 0.000 0.536 1138 M N 0.926 120.566 119.600 0.068 0.000 2.394 1138 M HA 0.162 4.646 4.480 0.008 0.000 0.266 1138 M C 1.896 178.300 176.300 0.172 0.000 1.098 1138 M CA 1.031 56.461 55.300 0.217 0.000 1.149 1138 M CB -0.990 31.892 32.600 0.470 0.000 1.369 1138 M HN 0.305 nan 8.290 nan 0.000 0.450 1139 I N -0.038 120.598 120.570 0.111 0.000 2.226 1139 I HA -0.243 3.932 4.170 0.008 0.000 0.245 1139 I C 2.520 178.681 176.117 0.073 0.000 1.100 1139 I CA 1.258 62.608 61.300 0.084 0.000 1.374 1139 I CB -0.890 37.141 38.000 0.051 0.000 1.057 1139 I HN 0.194 nan 8.210 nan 0.000 0.413 1140 A N 0.436 123.278 122.820 0.037 0.000 1.883 1140 A HA -0.267 4.057 4.320 0.008 0.000 0.217 1140 A C 2.178 179.841 177.584 0.131 0.000 1.186 1140 A CA 1.916 53.972 52.037 0.032 0.000 0.624 1140 A CB -0.969 18.002 19.000 -0.050 0.000 0.822 1140 A HN 0.422 nan 8.150 nan 0.000 0.444 1141 H N -1.055 118.034 119.070 0.032 0.000 2.521 1141 H HA 0.148 4.708 4.556 0.008 0.000 0.286 1141 H C 1.829 177.169 175.328 0.021 0.000 1.034 1141 H CA 0.464 56.521 56.048 0.016 0.000 1.278 1141 H CB -0.456 29.308 29.762 0.003 0.000 1.386 1141 H HN 0.678 nan 8.280 nan 0.000 0.567 1142 G N -0.439 108.459 108.800 0.163 0.000 2.148 1142 G HA2 -0.254 3.711 3.960 0.008 0.000 0.254 1142 G HA3 -0.254 3.711 3.960 0.008 0.000 0.254 1142 G C 0.418 175.379 174.900 0.102 0.000 0.981 1142 G CA 0.418 45.580 45.100 0.104 0.000 0.670 1142 G HN 0.730 nan 8.290 nan 0.000 0.528 1143 A N -0.143 122.761 122.820 0.140 0.000 2.506 1143 A HA 0.852 5.176 4.320 0.008 0.000 0.320 1143 A C 1.326 179.022 177.584 0.186 0.000 1.424 1143 A CA 0.917 53.037 52.037 0.138 0.000 1.044 1143 A CB 0.497 19.569 19.000 0.120 0.000 1.140 1143 A HN 1.615 nan 8.150 nan 0.000 0.538 1144 A N 1.925 124.826 122.820 0.134 0.000 1.903 1144 A HA 0.058 4.382 4.320 0.008 0.000 0.213 1144 A C 2.304 179.957 177.584 0.115 0.000 1.185 1144 A CA 1.628 53.736 52.037 0.120 0.000 0.628 1144 A CB -0.624 18.425 19.000 0.082 0.000 0.830 1144 A HN 0.712 nan 8.150 nan 0.000 0.446 1145 S N -1.295 114.470 115.700 0.108 0.000 2.400 1145 S HA -0.149 4.326 4.470 0.008 0.000 0.232 1145 S C 1.630 176.294 174.600 0.106 0.000 1.025 1145 S CA 1.583 59.836 58.200 0.087 0.000 0.993 1145 S CB -0.517 62.728 63.200 0.074 0.000 0.808 1145 S HN 0.587 nan 8.310 nan 0.000 0.478 1146 F N 1.518 121.470 119.950 0.003 0.000 2.163 1146 F HA 0.114 4.645 4.527 0.007 0.000 0.297 1146 F C 1.827 177.606 175.800 -0.036 0.000 1.094 1146 F CA 1.093 59.080 58.000 -0.021 0.000 1.290 1146 F CB -0.334 38.661 39.000 -0.008 0.000 1.017 1146 F HN 0.159 nan 8.300 nan 0.000 0.483 1147 L N 0.607 121.833 121.223 0.006 0.000 2.201 1147 L HA -0.163 4.182 4.340 0.008 0.000 0.212 1147 L C 2.383 179.203 176.870 -0.084 0.000 1.105 1147 L CA 1.401 56.212 54.840 -0.048 0.000 0.775 1147 L CB -0.574 41.572 42.059 0.145 0.000 0.913 1147 L HN 0.233 nan 8.230 nan 0.000 0.440 1148 K N 0.198 120.566 120.400 -0.054 0.000 2.116 1148 K HA -0.215 4.110 4.320 0.008 0.000 0.203 1148 K C 1.856 178.402 176.600 -0.091 0.000 1.052 1148 K CA 1.211 57.473 56.287 -0.041 0.000 0.952 1148 K CB 0.123 32.622 32.500 -0.003 0.000 0.729 1148 K HN 0.386 nan 8.250 nan 0.000 0.446 1149 E N 0.450 120.566 120.200 -0.141 0.000 2.107 1149 E HA -0.136 4.219 4.350 0.008 0.000 0.191 1149 E C 1.802 178.260 176.600 -0.235 0.000 0.982 1149 E CA 0.582 56.886 56.400 -0.160 0.000 0.809 1149 E CB 0.165 29.779 29.700 -0.144 0.000 0.756 1149 E HN 0.108 nan 8.360 nan 0.000 0.459 1150 R N -0.136 120.120 120.500 -0.407 0.000 2.285 1150 R HA -0.055 4.290 4.340 0.008 0.000 0.213 1150 R C 1.150 177.295 176.300 -0.258 0.000 1.068 1150 R CA 0.528 56.338 56.100 -0.483 0.000 1.004 1150 R CB 0.083 29.811 30.300 -0.954 0.000 0.873 1150 R HN 0.235 nan 8.270 nan 0.000 0.467 1151 L N -1.211 119.919 121.223 -0.153 0.000 2.858 1151 L HA 0.195 4.540 4.340 0.008 0.000 0.251 1151 L C 1.160 178.011 176.870 -0.032 0.000 1.149 1151 L CA 0.353 55.164 54.840 -0.049 0.000 0.955 1151 L CB 0.432 42.494 42.059 0.004 0.000 1.289 1151 L HN -0.043 nan 8.230 nan 0.000 0.542 1152 M N -1.801 117.766 119.600 -0.056 0.000 2.875 1152 M HA 0.201 4.685 4.480 0.008 0.000 0.174 1152 M C 1.682 177.954 176.300 -0.047 0.000 2.056 1152 M CA 0.300 55.581 55.300 -0.032 0.000 1.413 1152 M CB -0.485 32.097 32.600 -0.029 0.000 1.229 1152 M HN -0.212 nan 8.290 nan 0.000 0.612 1153 E N 1.709 121.868 120.200 -0.068 0.000 2.172 1153 E HA -0.115 4.239 4.350 0.008 0.000 0.213 1153 E C 0.235 176.798 176.600 -0.061 0.000 1.051 1153 E CA 1.766 58.125 56.400 -0.068 0.000 0.860 1153 E CB -0.154 29.501 29.700 -0.074 0.000 0.755 1153 E HN 0.479 nan 8.360 nan 0.000 0.462 1154 A N -1.614 121.160 122.820 -0.077 0.000 2.340 1154 A HA 0.669 4.994 4.320 0.008 0.000 0.297 1154 A C 0.373 177.918 177.584 -0.065 0.000 1.195 1154 A CA 0.362 52.356 52.037 -0.071 0.000 0.769 1154 A CB 1.537 20.484 19.000 -0.087 0.000 1.163 1154 A HN 0.077 nan 8.150 nan 0.000 0.472 1155 S N 2.133 117.809 115.700 -0.039 0.000 1.324 1155 S HA -0.112 4.363 4.470 0.008 0.000 0.253 1155 S C 0.272 174.868 174.600 -0.007 0.000 0.577 1155 S CA 1.386 59.573 58.200 -0.023 0.000 0.931 1155 S CB -1.338 61.848 63.200 -0.023 0.000 0.793 1155 S HN 0.712 nan 8.310 nan 0.000 0.485 1156 D N -0.073 120.330 120.400 0.005 0.000 2.729 1156 D HA 0.704 5.348 4.640 0.008 0.000 0.103 1156 D C -0.237 176.102 176.300 0.064 0.000 1.389 1156 D CA 0.776 54.798 54.000 0.037 0.000 1.457 1156 D CB 0.389 41.233 40.800 0.074 0.000 2.172 1156 D HN 1.479 nan 8.370 nan 0.000 0.227 1157 A N -0.216 122.669 122.820 0.108 0.000 2.431 1157 A HA 0.238 4.562 4.320 0.008 0.000 0.685 1157 A C -0.869 176.875 177.584 0.267 0.000 0.140 1157 A CA 0.413 52.529 52.037 0.131 0.000 0.038 1157 A CB -1.233 17.786 19.000 0.030 0.000 3.966 1157 A HN 0.700 nan 8.150 nan 0.000 0.547 1158 F N 2.744 122.757 119.950 0.106 0.000 2.703 1158 F HA 0.728 5.260 4.527 0.008 0.000 0.308 1158 F C -0.575 175.332 175.800 0.179 0.000 1.126 1158 F CA -0.901 57.187 58.000 0.147 0.000 0.959 1158 F CB 1.319 40.456 39.000 0.228 0.000 1.297 1158 F HN 0.822 nan 8.300 nan 0.000 0.441 1159 R N 4.465 124.764 120.500 -0.335 0.000 2.337 1159 R HA 0.716 5.061 4.340 0.008 0.000 0.319 1159 R C -2.023 173.799 176.300 -0.796 0.000 0.954 1159 R CA -0.317 55.560 56.100 -0.372 0.000 0.840 1159 R CB 1.195 31.454 30.300 -0.069 0.000 1.164 1159 R HN 0.554 nan 8.270 nan 0.000 0.472 1160 V N 3.722 123.225 119.914 -0.684 0.000 3.001 1160 V HA 0.458 4.583 4.120 0.008 0.000 0.314 1160 V C -0.106 175.692 176.094 -0.494 0.000 1.099 1160 V CA -0.990 60.966 62.300 -0.572 0.000 0.989 1160 V CB 2.357 33.936 31.823 -0.407 0.000 1.040 1160 V HN 0.692 nan 8.190 nan 0.000 0.434 1161 H N 2.679 121.656 119.070 -0.155 0.000 2.483 1161 H HA 0.612 5.173 4.556 0.008 0.000 0.338 1161 H C -0.982 174.281 175.328 -0.108 0.000 1.152 1161 H CA -0.436 55.521 56.048 -0.151 0.000 1.264 1161 H CB 2.269 31.934 29.762 -0.161 0.000 1.510 1161 H HN 0.287 nan 8.280 nan 0.000 0.530 1162 I N 1.290 121.869 120.570 0.015 0.000 2.647 1162 I HA 0.020 4.194 4.170 0.008 0.000 0.295 1162 I C 0.202 176.304 176.117 -0.026 0.000 1.078 1162 I CA -0.528 60.764 61.300 -0.014 0.000 1.048 1162 I CB 2.377 40.355 38.000 -0.036 0.000 1.239 1162 I HN 0.566 nan 8.210 nan 0.000 0.421 1163 C N 4.863 124.136 119.300 -0.045 0.000 2.585 1163 C HA 0.366 4.830 4.460 0.008 0.000 0.406 1163 C C 1.917 176.859 174.990 -0.080 0.000 1.312 1163 C CA 0.074 59.058 59.018 -0.057 0.000 1.924 1163 C CB -0.042 27.673 27.740 -0.042 0.000 2.578 1163 C HN 1.045 nan 8.230 nan 0.000 0.580 1164 G N 5.625 114.408 108.800 -0.028 0.000 2.475 1164 G HA2 -0.121 3.844 3.960 0.008 0.000 0.220 1164 G HA3 -0.121 3.844 3.960 0.008 0.000 0.220 1164 G C 1.052 175.886 174.900 -0.109 0.000 1.125 1164 G CA 1.419 46.532 45.100 0.022 0.000 0.755 1164 G HN 0.771 nan 8.290 nan 0.000 0.565 1165 I N 0.840 121.371 120.570 -0.065 0.000 5.336 1165 I HA 0.111 4.286 4.170 0.008 0.000 0.226 1165 I C 1.833 177.945 176.117 -0.009 0.000 0.934 1165 I CA -0.316 60.973 61.300 -0.019 0.000 1.596 1165 I CB -1.646 36.362 38.000 0.014 0.000 1.414 1165 I HN 0.209 nan 8.210 nan 0.000 0.450 1166 C N 3.363 122.675 119.300 0.020 0.000 2.583 1166 C HA 0.322 4.786 4.460 0.008 0.000 0.399 1166 C C 1.393 176.388 174.990 0.009 0.000 1.437 1166 C CA -0.784 58.258 59.018 0.040 0.000 1.423 1166 C CB -1.693 26.063 27.740 0.026 0.000 2.366 1166 C HN 0.672 nan 8.230 nan 0.000 0.624 1167 G N 4.820 113.653 108.800 0.054 0.000 3.325 1167 G HA2 0.384 4.349 3.960 0.008 0.000 0.242 1167 G HA3 0.384 4.349 3.960 0.008 0.000 0.242 1167 G C 0.130 175.017 174.900 -0.022 0.000 1.120 1167 G CA -0.200 44.881 45.100 -0.032 0.000 1.778 1167 G HN 0.859 nan 8.290 nan 0.000 0.610 1168 L N -1.330 119.878 121.223 -0.024 0.000 2.305 1168 L HA 0.558 4.902 4.340 0.008 0.000 0.261 1168 L C 1.071 177.937 176.870 -0.008 0.000 1.100 1168 L CA -1.128 53.699 54.840 -0.023 0.000 1.073 1168 L CB 1.165 43.220 42.059 -0.007 0.000 1.656 1168 L HN 0.058 nan 8.230 nan 0.000 0.536 1169 M N -0.348 119.260 119.600 0.014 0.000 2.869 1169 M HA 0.152 4.636 4.480 0.008 0.000 0.338 1169 M C 0.461 176.789 176.300 0.047 0.000 1.227 1169 M CA -0.071 55.252 55.300 0.037 0.000 0.946 1169 M CB 0.295 32.929 32.600 0.058 0.000 1.299 1169 M HN 0.512 nan 8.290 nan 0.000 0.518 1170 T N -0.420 114.154 114.554 0.033 0.000 3.023 1170 T HA 0.033 4.387 4.350 0.008 0.000 0.266 1170 T C 0.933 175.657 174.700 0.039 0.000 1.093 1170 T CA 0.438 62.559 62.100 0.035 0.000 1.129 1170 T CB -0.054 68.828 68.868 0.023 0.000 0.899 1170 T HN 0.208 nan 8.240 nan 0.000 0.491 1171 V N 3.328 123.265 119.914 0.038 0.000 2.452 1171 V HA 0.031 4.156 4.120 0.008 0.000 0.286 1171 V C 0.549 176.679 176.094 0.060 0.000 0.995 1171 V CA -0.088 62.234 62.300 0.036 0.000 1.116 1171 V CB -0.882 30.950 31.823 0.016 0.000 0.954 1171 V HN 0.427 nan 8.190 nan 0.000 0.473 1172 I N 4.863 125.465 120.570 0.053 0.000 2.483 1172 I HA 0.118 4.292 4.170 0.008 0.000 0.291 1172 I C 1.209 177.369 176.117 0.071 0.000 1.112 1172 I CA 0.220 61.558 61.300 0.063 0.000 1.350 1172 I CB 0.646 38.673 38.000 0.045 0.000 1.419 1172 I HN 0.717 nan 8.210 nan 0.000 0.523 1173 A N 7.225 130.106 122.820 0.102 0.000 3.048 1173 A HA 0.084 4.408 4.320 0.008 0.000 0.264 1173 A C 0.746 178.382 177.584 0.087 0.000 1.796 1173 A CA -0.248 51.857 52.037 0.112 0.000 1.445 1173 A CB -0.748 18.404 19.000 0.253 0.000 1.074 1173 A HN 0.680 nan 8.150 nan 0.000 0.621 1174 K N 1.234 121.649 120.400 0.025 0.000 2.408 1174 K HA 0.178 4.502 4.320 0.008 0.000 0.231 1174 K C -0.026 176.528 176.600 -0.078 0.000 1.261 1174 K CA -0.024 56.261 56.287 -0.003 0.000 1.193 1174 K CB -0.378 32.109 32.500 -0.022 0.000 1.431 1174 K HN 0.716 nan 8.250 nan 0.000 0.243 1175 L N 1.207 122.412 121.223 -0.030 0.000 2.452 1175 L HA -0.030 4.314 4.340 0.008 0.000 0.267 1175 L C 1.070 177.852 176.870 -0.148 0.000 1.188 1175 L CA 0.567 55.365 54.840 -0.070 0.000 0.821 1175 L CB 0.381 42.474 42.059 0.058 0.000 1.102 1175 L HN 0.712 nan 8.230 nan 0.000 0.470 1176 N N -0.146 118.436 118.700 -0.195 0.000 2.896 1176 N HA -0.247 4.497 4.740 0.008 0.000 0.198 1176 N C 0.559 175.830 175.510 -0.398 0.000 1.061 1176 N CA 1.599 54.477 53.050 -0.288 0.000 1.096 1176 N CB -0.954 37.322 38.487 -0.353 0.000 0.963 1176 N HN 0.806 nan 8.380 nan 0.000 0.570 1177 H N 0.430 119.410 119.070 -0.150 0.000 2.549 1177 H HA 0.342 4.903 4.556 0.008 0.000 0.279 1177 H C 0.825 176.014 175.328 -0.232 0.000 1.018 1177 H CA 0.569 56.525 56.048 -0.154 0.000 1.175 1177 H CB -0.018 29.667 29.762 -0.128 0.000 1.485 1177 H HN 0.384 nan 8.280 nan 0.000 0.543 1178 N N 0.839 119.369 118.700 -0.283 0.000 2.853 1178 N HA -0.233 4.511 4.740 0.008 0.000 0.239 1178 N C -0.203 174.904 175.510 -0.673 0.000 0.967 1178 N CA 0.720 53.482 53.050 -0.480 0.000 0.973 1178 N CB -0.694 37.664 38.487 -0.215 0.000 1.104 1178 N HN 0.513 nan 8.380 nan 0.000 0.602 1179 Q N -0.144 119.400 119.800 -0.427 0.000 2.300 1179 Q HA 0.146 4.491 4.340 0.008 0.000 0.262 1179 Q C 0.420 176.186 176.000 -0.391 0.000 1.109 1179 Q CA 0.156 55.781 55.803 -0.297 0.000 0.905 1179 Q CB 0.298 28.951 28.738 -0.142 0.000 1.280 1179 Q HN 0.315 nan 8.270 nan 0.000 0.426 1180 F N 1.123 121.022 119.950 -0.085 0.000 2.287 1180 F HA 0.045 4.577 4.527 0.007 0.000 0.276 1180 F C 0.264 176.001 175.800 -0.105 0.000 1.047 1180 F CA -0.323 57.595 58.000 -0.137 0.000 1.194 1180 F CB 0.429 39.316 39.000 -0.188 0.000 1.118 1180 F HN 0.474 nan 8.300 nan 0.000 0.556 1181 E N -0.218 120.054 120.200 0.119 0.000 7.498 1181 E HA -0.301 4.054 4.350 0.008 0.000 0.460 1181 E C -1.044 175.574 176.600 0.030 0.000 0.334 1181 E CA 0.207 56.634 56.400 0.044 0.000 0.626 1181 E CB -0.965 28.745 29.700 0.017 0.000 0.958 1181 E HN 0.380 nan 8.360 nan 0.000 0.324 1182 C N 4.834 124.142 119.300 0.012 0.000 2.621 1182 C HA 0.302 4.767 4.460 0.008 0.000 0.272 1182 C C 0.503 175.498 174.990 0.007 0.000 1.119 1182 C CA -0.553 58.470 59.018 0.007 0.000 1.593 1182 C CB -0.910 26.827 27.740 -0.004 0.000 1.749 1182 C HN 0.628 nan 8.230 nan 0.000 0.420 1183 K N 3.376 123.782 120.400 0.010 0.000 2.397 1183 K HA 0.474 4.798 4.320 0.008 0.000 0.265 1183 K C 1.224 177.830 176.600 0.009 0.000 0.982 1183 K CA 0.996 57.288 56.287 0.008 0.000 0.931 1183 K CB 0.318 32.822 32.500 0.007 0.000 0.943 1183 K HN 1.251 nan 8.250 nan 0.000 0.501 1184 G N 1.326 110.131 108.800 0.008 0.000 3.909 1184 G HA2 -0.360 3.605 3.960 0.008 0.000 0.218 1184 G HA3 -0.360 3.605 3.960 0.008 0.000 0.218 1184 G C 1.096 176.001 174.900 0.009 0.000 1.404 1184 G CA 0.157 45.262 45.100 0.009 0.000 0.905 1184 G HN 0.699 nan 8.290 nan 0.000 0.589 1185 C N 1.670 120.975 119.300 0.008 0.000 2.539 1185 C HA 0.360 4.824 4.460 0.008 0.000 0.271 1185 C C 1.548 176.541 174.990 0.005 0.000 1.412 1185 C CA 0.572 59.595 59.018 0.008 0.000 1.729 1185 C CB -1.205 26.540 27.740 0.007 0.000 1.739 1185 C HN 0.684 nan 8.230 nan 0.000 0.570 1186 D N 0.014 120.417 120.400 0.004 0.000 3.028 1186 D HA -0.161 4.483 4.640 0.008 0.000 0.211 1186 D C 0.099 176.399 176.300 0.001 0.000 1.136 1186 D CA 1.232 55.233 54.000 0.003 0.000 0.987 1186 D CB -1.232 39.570 40.800 0.003 0.000 1.128 1186 D HN 0.586 nan 8.370 nan 0.000 0.406 1187 N N 0.455 119.154 118.700 -0.001 0.000 2.488 1187 N HA 0.138 4.883 4.740 0.008 0.000 0.274 1187 N C 0.588 176.095 175.510 -0.005 0.000 1.111 1187 N CA 0.324 53.369 53.050 -0.007 0.000 0.974 1187 N CB 0.697 39.175 38.487 -0.015 0.000 1.089 1187 N HN 0.106 nan 8.380 nan 0.000 0.465 1188 K N 2.897 123.295 120.400 -0.004 0.000 2.438 1188 K HA 0.242 4.566 4.320 0.008 0.000 0.206 1188 K C 0.579 177.188 176.600 0.014 0.000 1.081 1188 K CA 0.103 56.398 56.287 0.014 0.000 1.053 1188 K CB 0.684 33.190 32.500 0.010 0.000 0.908 1188 K HN 0.500 nan 8.250 nan 0.000 0.556 1189 I N -1.170 119.385 120.570 -0.026 0.000 3.518 1189 I HA 0.100 4.275 4.170 0.008 0.000 0.260 1189 I C -0.070 175.951 176.117 -0.159 0.000 1.148 1189 I CA -0.235 61.029 61.300 -0.060 0.000 1.440 1189 I CB 0.108 38.083 38.000 -0.042 0.000 1.485 1189 I HN -0.193 nan 8.210 nan 0.000 0.456 1190 D N 3.839 124.156 120.400 -0.139 0.000 2.385 1190 D HA 0.403 5.048 4.640 0.008 0.000 0.260 1190 D C -0.488 175.649 176.300 -0.271 0.000 1.326 1190 D CA 0.959 54.843 54.000 -0.195 0.000 1.023 1190 D CB 0.383 41.159 40.800 -0.040 0.000 1.083 1190 D HN 0.201 nan 8.370 nan 0.000 0.517 1191 I N 2.252 122.477 120.570 -0.575 0.000 2.685 1191 I HA 0.169 4.344 4.170 0.008 0.000 0.289 1191 I C -1.420 174.267 176.117 -0.717 0.000 1.292 1191 I CA -0.726 60.285 61.300 -0.482 0.000 1.050 1191 I CB 1.711 39.470 38.000 -0.403 0.000 1.301 1191 I HN 0.066 nan 8.210 nan 0.000 0.425 1192 Y N 4.592 124.790 120.300 -0.170 0.000 2.361 1192 Y HA 0.415 4.970 4.550 0.008 0.000 0.337 1192 Y C 0.023 175.825 175.900 -0.163 0.000 0.965 1192 Y CA -0.635 57.369 58.100 -0.159 0.000 1.091 1192 Y CB 1.799 40.172 38.460 -0.145 0.000 1.182 1192 Y HN 0.440 nan 8.280 nan 0.000 0.450 1193 Q N 5.037 124.799 119.800 -0.062 0.000 2.332 1193 Q HA 0.440 4.785 4.340 0.008 0.000 0.263 1193 Q C -0.701 175.141 176.000 -0.263 0.000 0.979 1193 Q CA -0.282 55.391 55.803 -0.217 0.000 0.885 1193 Q CB 0.721 29.329 28.738 -0.217 0.000 1.218 1193 Q HN 0.733 nan 8.270 nan 0.000 0.405 1194 I N 1.094 121.444 120.570 -0.366 0.000 3.191 1194 I HA 0.480 4.654 4.170 0.008 0.000 0.313 1194 I C -1.769 174.077 176.117 -0.452 0.000 1.193 1194 I CA -0.810 60.278 61.300 -0.353 0.000 0.968 1194 I CB 2.278 40.189 38.000 -0.149 0.000 1.262 1194 I HN 0.731 nan 8.210 nan 0.000 0.456 1195 H N 5.460 124.499 119.070 -0.051 0.000 2.727 1195 H HA 0.635 5.196 4.556 0.008 0.000 0.330 1195 H C -0.243 175.088 175.328 0.005 0.000 0.986 1195 H CA -0.357 55.671 56.048 -0.034 0.000 1.251 1195 H CB 1.886 31.640 29.762 -0.014 0.000 1.493 1195 H HN 0.661 nan 8.280 nan 0.000 0.515 1196 I N -0.021 120.636 120.570 0.144 0.000 3.239 1196 I HA 0.630 4.805 4.170 0.008 0.000 0.314 1196 I C -3.027 173.175 176.117 0.141 0.000 1.126 1196 I CA -3.049 58.321 61.300 0.117 0.000 0.973 1196 I CB 2.081 40.134 38.000 0.088 0.000 1.252 1196 I HN 0.094 nan 8.210 nan 0.000 0.463 1197 P HA 0.126 nan 4.420 nan 0.000 0.271 1197 P C 0.084 177.480 177.300 0.160 0.000 1.218 1197 P CA 0.197 63.365 63.100 0.115 0.000 0.780 1197 P CB 0.356 32.085 31.700 0.048 0.000 0.901 1198 Y N 3.514 123.876 120.300 0.102 0.000 2.256 1198 Y HA -0.264 4.291 4.550 0.009 0.000 0.288 1198 Y C 2.212 178.112 175.900 -0.001 0.000 1.155 1198 Y CA 2.058 60.208 58.100 0.082 0.000 1.203 1198 Y CB -0.630 37.763 38.460 -0.112 0.000 0.980 1198 Y HN 0.433 nan 8.280 nan 0.000 0.530 1199 A N 0.149 123.019 122.820 0.084 0.000 2.024 1199 A HA -0.153 4.171 4.320 0.008 0.000 0.220 1199 A C 2.344 179.818 177.584 -0.182 0.000 1.164 1199 A CA 1.775 53.799 52.037 -0.021 0.000 0.643 1199 A CB -1.286 17.716 19.000 0.004 0.000 0.806 1199 A HN 0.599 nan 8.150 nan 0.000 0.451 1200 A N -0.106 122.563 122.820 -0.252 0.000 1.831 1200 A HA -0.058 4.267 4.320 0.008 0.000 0.213 1200 A C 2.114 179.291 177.584 -0.679 0.000 1.223 1200 A CA 1.721 53.419 52.037 -0.565 0.000 0.604 1200 A CB -0.597 18.099 19.000 -0.507 0.000 0.878 1200 A HN 0.366 nan 8.150 nan 0.000 0.450 1201 K N -0.302 119.890 120.400 -0.346 0.000 2.137 1201 K HA -0.242 4.083 4.320 0.008 0.000 0.216 1201 K C 1.861 178.335 176.600 -0.211 0.000 1.052 1201 K CA 2.129 58.325 56.287 -0.151 0.000 0.939 1201 K CB -0.630 31.814 32.500 -0.094 0.000 0.724 1201 K HN 0.372 nan 8.250 nan 0.000 0.465 1202 L N 1.132 122.134 121.223 -0.368 0.000 1.988 1202 L HA -0.183 4.161 4.340 0.008 0.000 0.207 1202 L C 2.751 179.544 176.870 -0.128 0.000 1.071 1202 L CA 1.578 56.269 54.840 -0.248 0.000 0.744 1202 L CB -1.226 40.699 42.059 -0.222 0.000 0.893 1202 L HN 0.359 nan 8.230 nan 0.000 0.433 1203 L N -0.060 121.050 121.223 -0.189 0.000 2.010 1203 L HA -0.310 4.035 4.340 0.008 0.000 0.219 1203 L C 2.405 179.294 176.870 0.031 0.000 1.077 1203 L CA 2.157 56.918 54.840 -0.132 0.000 0.773 1203 L CB -0.929 40.972 42.059 -0.263 0.000 0.892 1203 L HN 0.170 nan 8.230 nan 0.000 0.436 1204 F N -0.790 119.146 119.950 -0.024 0.000 2.075 1204 F HA -0.267 4.264 4.527 0.008 0.000 0.297 1204 F C 2.680 178.474 175.800 -0.011 0.000 1.113 1204 F CA 1.209 59.201 58.000 -0.013 0.000 1.218 1204 F CB -0.466 38.526 39.000 -0.013 0.000 0.984 1204 F HN 0.183 nan 8.300 nan 0.000 0.472 1205 Q N 0.492 120.405 119.800 0.189 0.000 2.077 1205 Q HA -0.266 4.079 4.340 0.008 0.000 0.206 1205 Q C 1.965 178.011 176.000 0.077 0.000 0.989 1205 Q CA 2.078 57.941 55.803 0.100 0.000 0.853 1205 Q CB -0.346 28.424 28.738 0.054 0.000 0.907 1205 Q HN 0.532 nan 8.270 nan 0.000 0.418 1206 E N 0.500 120.737 120.200 0.063 0.000 2.070 1206 E HA -0.210 4.145 4.350 0.008 0.000 0.197 1206 E C 2.111 178.746 176.600 0.059 0.000 1.004 1206 E CA 1.141 57.571 56.400 0.050 0.000 0.805 1206 E CB -0.221 29.500 29.700 0.035 0.000 0.744 1206 E HN 0.322 nan 8.360 nan 0.000 0.451 1207 L N 0.185 121.460 121.223 0.085 0.000 2.013 1207 L HA -0.249 4.096 4.340 0.008 0.000 0.212 1207 L C 2.657 179.561 176.870 0.056 0.000 1.073 1207 L CA 1.243 56.130 54.840 0.078 0.000 0.753 1207 L CB -0.459 41.666 42.059 0.111 0.000 0.890 1207 L HN 0.249 nan 8.230 nan 0.000 0.432 1208 M N -0.550 119.087 119.600 0.061 0.000 2.108 1208 M HA -0.210 4.275 4.480 0.008 0.000 0.261 1208 M C 2.378 178.699 176.300 0.035 0.000 1.066 1208 M CA 2.038 57.363 55.300 0.041 0.000 1.107 1208 M CB -0.418 32.208 32.600 0.044 0.000 1.356 1208 M HN 0.329 nan 8.290 nan 0.000 0.406 1209 A N -0.762 122.081 122.820 0.039 0.000 2.066 1209 A HA -0.066 4.259 4.320 0.008 0.000 0.218 1209 A C 1.966 179.567 177.584 0.028 0.000 1.157 1209 A CA 0.923 52.980 52.037 0.033 0.000 0.670 1209 A CB -0.533 18.488 19.000 0.034 0.000 0.804 1209 A HN 0.525 nan 8.150 nan 0.000 0.453 1210 M N -0.345 119.274 119.600 0.031 0.000 2.568 1210 M HA 0.139 4.623 4.480 0.008 0.000 0.226 1210 M C 0.482 176.795 176.300 0.022 0.000 1.148 1210 M CA 0.276 55.592 55.300 0.026 0.000 1.007 1210 M CB -0.337 32.281 32.600 0.030 0.000 1.651 1210 M HN 0.566 nan 8.290 nan 0.000 0.488 1211 N N 0.969 119.682 118.700 0.022 0.000 2.815 1211 N HA -0.155 4.590 4.740 0.008 0.000 0.249 1211 N C -1.219 174.299 175.510 0.013 0.000 1.114 1211 N CA 0.326 53.386 53.050 0.017 0.000 0.717 1211 N CB -0.767 37.728 38.487 0.014 0.000 1.074 1211 N HN 0.407 nan 8.380 nan 0.000 0.555 1212 I N 1.392 121.971 120.570 0.015 0.000 2.498 1212 I HA 0.176 4.350 4.170 0.008 0.000 0.290 1212 I C 0.504 176.622 176.117 0.000 0.000 1.032 1212 I CA -0.645 60.660 61.300 0.008 0.000 1.073 1212 I CB 1.950 39.959 38.000 0.015 0.000 1.251 1212 I HN 0.055 nan 8.210 nan 0.000 0.426 1213 T N 3.213 117.759 114.554 -0.012 0.000 2.794 1213 T HA 0.401 4.756 4.350 0.008 0.000 0.304 1213 T C -2.318 172.345 174.700 -0.061 0.000 0.973 1213 T CA -1.655 60.428 62.100 -0.027 0.000 0.972 1213 T CB 0.288 69.146 68.868 -0.017 0.000 0.952 1213 T HN 0.294 nan 8.240 nan 0.000 0.509 1214 P HA 0.299 nan 4.420 nan 0.000 0.283 1214 P C -0.290 176.865 177.300 -0.241 0.000 1.412 1214 P CA -0.660 62.308 63.100 -0.219 0.000 0.912 1214 P CB 0.521 31.989 31.700 -0.387 0.000 1.132 1215 R N 3.410 123.839 120.500 -0.119 0.000 2.347 1215 R HA 0.338 4.683 4.340 0.008 0.000 0.304 1215 R C 0.053 176.365 176.300 0.020 0.000 1.072 1215 R CA -0.518 55.585 56.100 0.006 0.000 0.980 1215 R CB 0.455 30.811 30.300 0.093 0.000 0.986 1215 R HN 0.533 nan 8.270 nan 0.000 0.448 1216 L N 4.702 125.945 121.223 0.034 0.000 2.265 1216 L HA 0.354 4.698 4.340 0.008 0.000 0.289 1216 L C -0.695 176.257 176.870 0.136 0.000 1.033 1216 L CA -0.565 54.290 54.840 0.026 0.000 0.814 1216 L CB 0.452 42.462 42.059 -0.082 0.000 1.203 1216 L HN 0.402 nan 8.230 nan 0.000 0.423 1217 Y N 0.439 120.690 120.300 -0.083 0.000 2.528 1217 Y HA 0.328 4.883 4.550 0.008 0.000 0.335 1217 Y C 1.296 177.135 175.900 -0.101 0.000 1.093 1217 Y CA -0.878 57.171 58.100 -0.085 0.000 1.134 1217 Y CB 2.120 40.536 38.460 -0.073 0.000 1.253 1217 Y HN 0.612 nan 8.280 nan 0.000 0.478 1218 T N -3.246 111.260 114.554 -0.080 0.000 3.042 1218 T HA 0.099 4.454 4.350 0.008 0.000 0.245 1218 T C -0.109 174.525 174.700 -0.110 0.000 1.029 1218 T CA 0.229 62.235 62.100 -0.157 0.000 1.120 1218 T CB -0.249 68.391 68.868 -0.380 0.000 0.917 1218 T HN 0.543 nan 8.240 nan 0.000 0.467 1219 D N 0.484 120.835 120.400 -0.082 0.000 2.229 1219 D HA 0.386 5.031 4.640 0.008 0.000 0.249 1219 D C 1.072 177.370 176.300 -0.004 0.000 1.027 1219 D CA -1.039 52.932 54.000 -0.050 0.000 0.923 1219 D CB 1.116 41.880 40.800 -0.060 0.000 1.174 1219 D HN -0.302 nan 8.370 nan 0.000 0.443 1220 R N 0.607 121.103 120.500 -0.007 0.000 2.152 1220 R HA -0.005 4.340 4.340 0.008 0.000 0.232 1220 R C 0.185 176.489 176.300 0.007 0.000 1.117 1220 R CA 0.478 56.579 56.100 0.001 0.000 0.981 1220 R CB -0.446 29.854 30.300 0.000 0.000 0.870 1220 R HN 0.465 nan 8.270 nan 0.000 0.451 1221 S N 0.264 115.971 115.700 0.010 0.000 2.565 1221 S HA 0.188 4.662 4.470 0.008 0.000 0.276 1221 S C 1.234 175.845 174.600 0.019 0.000 1.326 1221 S CA -0.465 57.745 58.200 0.017 0.000 1.045 1221 S CB 1.626 64.837 63.200 0.018 0.000 0.918 1221 S HN 0.145 nan 8.310 nan 0.000 0.505 1222 R N 1.970 122.483 120.500 0.022 0.000 2.094 1222 R HA 0.076 4.421 4.340 0.008 0.000 0.214 1222 R C 0.258 176.579 176.300 0.035 0.000 1.174 1222 R CA 1.160 57.269 56.100 0.016 0.000 0.919 1222 R CB -0.230 30.088 30.300 0.031 0.000 0.795 1222 R HN 0.679 nan 8.270 nan 0.000 0.465 1223 D N -3.563 116.881 120.400 0.074 0.000 2.564 1223 D HA 0.085 4.730 4.640 0.008 0.000 0.648 1223 D C -0.826 175.540 176.300 0.111 0.000 0.720 1223 D CA -0.129 53.918 54.000 0.078 0.000 1.174 1223 D CB -0.008 40.834 40.800 0.068 0.000 1.485 1223 D HN -0.025 nan 8.370 nan 0.000 0.334 1224 F N 0.000 119.944 119.950 -0.009 0.000 2.286 1224 F HA 0.000 4.532 4.527 0.008 0.000 0.279 1224 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 1224 F CB 0.000 38.993 39.000 -0.011 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574