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 2e2i_1_B DATA FIRST_RESID 20 DATA SEQUENCE DESAPITAED SWAVISAFFR EKGLVSQQLD SFNQFVDYTL QDIICEDSTL DATA SEQUENCE ILEQXXXXXX XXXXXXXXYE ISFGKIYVTK PMVNESDGVT HALYPQEARL DATA SEQUENCE RNLTYSSGLF VDVKKRTYEA IDVPGRELXX XXXXXXXXXX XXXXKVFIGR DATA SEQUENCE LPIMLRSKNC YLSEATESDL YKLKECPFDM GGYFIINGSE KVLIAQERSA DATA SEQUENCE GNIVQVFKKA APSPISHVAE IRSALEKGSR FISTLQVKLY GREGSSARTI DATA SEQUENCE KATLPYIKQD IPIVIIFRAL GIIPDGEILE HICYDVNDWQ MLEMLKPCVE DATA SEQUENCE DGFVIQDRET ALDFIGRRGT ALGIKKEKRI QYAKDILQKE FLPHITQLEG DATA SEQUENCE FESRKAFFLG YMINRLLLCA LDRKDQDDRD HFGKKRLDLA GPLLAQLFKT DATA SEQUENCE LFKKLTKDIF RYMQRTVEXX XXXNMKLAIN AKTITSGLKY ALATGNWGEQ DATA SEQUENCE KKAMSSRAGV SQVLNRYTYS STLSHLRRTN TPIGRDGKLA KPRQLHNTHW DATA SEQUENCE GLVCPAETPE GQACGLVKNL SLMSCISVGT DPMPIITFLS EWGMEPLEDY DATA SEQUENCE VPHQSPDATR VFVNGVWHGV HRNPARLMET LRTLRRKGDI NPEVSMIRDI DATA SEQUENCE REKELKIFTD AGRVYRPLFI VEDDESLGHK ELKVRKGHIA KLMATEYQDX DATA SEQUENCE XXXXXXVEEY TWSSLLNEGL VEYIDAEEEE SILIAMQPED LEPAEXXXXX 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 0.000 176.279 176.300 -0.035 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 1.092 121.262 120.200 -0.050 0.000 2.601 21 E HA 0.143 4.497 4.350 0.006 0.000 0.219 21 E C -0.143 176.405 176.600 -0.086 0.000 0.964 21 E CA -0.143 56.209 56.400 -0.080 0.000 1.050 21 E CB 0.311 29.945 29.700 -0.109 0.000 1.068 21 E HN 0.138 nan 8.360 nan 0.000 0.496 22 S N 0.566 116.234 115.700 -0.054 0.000 2.539 22 S HA 0.431 4.905 4.470 0.006 0.000 0.221 22 S C 0.840 175.428 174.600 -0.020 0.000 0.987 22 S CA 0.069 58.244 58.200 -0.041 0.000 0.929 22 S CB 0.736 63.916 63.200 -0.034 0.000 0.832 22 S HN 0.471 nan 8.310 nan 0.000 0.492 23 A N 3.602 126.413 122.820 -0.015 0.000 2.406 23 A HA 0.516 4.840 4.320 0.006 0.000 0.243 23 A C -2.409 175.178 177.584 0.004 0.000 1.082 23 A CA -1.178 50.858 52.037 -0.001 0.000 0.786 23 A CB -0.236 18.765 19.000 0.002 0.000 1.029 23 A HN 0.136 nan 8.150 nan 0.000 0.495 24 P HA 0.372 nan 4.420 nan 0.000 0.282 24 P C -0.468 176.829 177.300 -0.004 0.000 1.249 24 P CA -0.202 62.901 63.100 0.004 0.000 0.806 24 P CB 0.551 32.267 31.700 0.027 0.000 0.984 25 I N 1.060 121.610 120.570 -0.033 0.000 2.938 25 I HA 0.149 4.323 4.170 0.006 0.000 0.285 25 I C 1.468 177.580 176.117 -0.007 0.000 1.182 25 I CA 0.169 61.453 61.300 -0.028 0.000 1.388 25 I CB -0.002 37.942 38.000 -0.094 0.000 1.390 25 I HN 0.398 nan 8.210 nan 0.000 0.600 26 T N 0.805 115.375 114.554 0.028 0.000 2.922 26 T HA 0.588 4.942 4.350 0.006 0.000 0.281 26 T C 0.872 175.616 174.700 0.073 0.000 1.005 26 T CA -0.303 61.825 62.100 0.046 0.000 0.982 26 T CB 1.600 70.507 68.868 0.064 0.000 1.158 26 T HN 0.612 nan 8.240 nan 0.000 0.566 27 A N 0.186 123.060 122.820 0.090 0.000 1.858 27 A HA -0.067 4.257 4.320 0.006 0.000 0.216 27 A C 2.271 179.985 177.584 0.217 0.000 1.190 27 A CA 1.377 53.491 52.037 0.128 0.000 0.617 27 A CB -1.117 17.959 19.000 0.126 0.000 0.827 27 A HN 0.907 nan 8.150 nan 0.000 0.443 28 E N 0.440 120.779 120.200 0.232 0.000 2.113 28 E HA -0.253 4.101 4.350 0.006 0.000 0.210 28 E C 1.445 178.228 176.600 0.304 0.000 1.040 28 E CA 1.781 58.356 56.400 0.292 0.000 0.847 28 E CB -0.516 29.307 29.700 0.206 0.000 0.755 28 E HN 0.560 nan 8.360 nan 0.000 0.459 29 D N -0.272 120.256 120.400 0.213 0.000 2.354 29 D HA -0.107 4.537 4.640 0.006 0.000 0.216 29 D C 1.851 178.294 176.300 0.238 0.000 0.970 29 D CA 1.127 55.249 54.000 0.202 0.000 0.905 29 D CB -0.206 40.676 40.800 0.136 0.000 0.903 29 D HN 0.201 nan 8.370 nan 0.000 0.508 30 S N -1.368 114.467 115.700 0.224 0.000 2.527 30 S HA -0.074 4.399 4.470 0.006 0.000 0.222 30 S C 1.751 176.395 174.600 0.073 0.000 0.985 30 S CA -0.280 58.038 58.200 0.198 0.000 0.921 30 S CB -0.504 62.802 63.200 0.177 0.000 0.772 30 S HN 0.298 nan 8.310 nan 0.000 0.529 31 W N 1.847 123.289 121.300 0.237 0.000 2.518 31 W HA 0.366 5.030 4.660 0.006 0.000 0.273 31 W C 2.774 179.441 176.519 0.246 0.000 1.247 31 W CA 0.275 57.751 57.345 0.219 0.000 1.288 31 W CB -0.394 29.190 29.460 0.207 0.000 1.107 31 W HN 0.390 nan 8.180 nan 0.000 0.586 32 A N 0.198 123.270 122.820 0.419 0.000 1.917 32 A HA -0.221 4.102 4.320 0.006 0.000 0.219 32 A C 2.016 179.800 177.584 0.334 0.000 1.182 32 A CA 2.340 54.585 52.037 0.347 0.000 0.633 32 A CB -1.130 18.044 19.000 0.289 0.000 0.819 32 A HN 0.102 nan 8.150 nan 0.000 0.448 33 V N 0.549 120.655 119.914 0.321 0.000 2.307 33 V HA -0.240 3.883 4.120 0.006 0.000 0.245 33 V C 2.435 178.687 176.094 0.263 0.000 1.045 33 V CA 1.757 64.259 62.300 0.337 0.000 1.024 33 V CB -0.591 31.459 31.823 0.379 0.000 0.651 33 V HN 0.546 nan 8.190 nan 0.000 0.449 34 I N 0.157 120.794 120.570 0.111 0.000 2.248 34 I HA -0.232 3.941 4.170 0.006 0.000 0.248 34 I C 2.479 178.587 176.117 -0.014 0.000 1.107 34 I CA 1.713 62.969 61.300 -0.073 0.000 1.373 34 I CB -0.994 36.989 38.000 -0.028 0.000 1.055 34 I HN 0.321 nan 8.210 nan 0.000 0.418 35 S N 0.664 116.501 115.700 0.228 0.000 2.428 35 S HA -0.015 4.458 4.470 0.006 0.000 0.230 35 S C 2.179 176.944 174.600 0.275 0.000 1.014 35 S CA 1.081 59.490 58.200 0.348 0.000 0.957 35 S CB -0.047 63.433 63.200 0.466 0.000 0.784 35 S HN 0.553 nan 8.310 nan 0.000 0.499 36 A N 0.740 123.727 122.820 0.279 0.000 1.929 36 A HA 0.192 4.516 4.320 0.006 0.000 0.216 36 A C 0.780 178.474 177.584 0.183 0.000 1.176 36 A CA 0.360 52.574 52.037 0.295 0.000 0.628 36 A CB -0.453 18.794 19.000 0.412 0.000 0.816 36 A HN 0.431 nan 8.150 nan 0.000 0.444 37 F N -1.528 118.305 119.950 -0.195 0.000 2.490 37 F HA 0.338 4.869 4.527 0.006 0.000 0.336 37 F C 0.909 176.418 175.800 -0.484 0.000 1.178 37 F CA 1.027 58.530 58.000 -0.827 0.000 1.301 37 F CB 0.108 38.233 39.000 -1.459 0.000 1.175 37 F HN 0.409 nan 8.300 nan 0.000 0.593 38 F N -0.177 119.418 119.950 -0.592 0.000 2.531 38 F HA -0.416 4.114 4.527 0.006 0.000 0.698 38 F C 2.079 177.798 175.800 -0.136 0.000 0.488 38 F CA 1.359 59.205 58.000 -0.256 0.000 0.830 38 F CB -1.201 37.749 39.000 -0.082 0.000 1.678 38 F HN 0.497 nan 8.300 nan 0.000 0.267 39 R N 0.927 121.508 120.500 0.135 0.000 2.152 39 R HA -0.137 4.206 4.340 0.006 0.000 0.232 39 R C 1.768 178.084 176.300 0.027 0.000 1.117 39 R CA 1.990 58.156 56.100 0.110 0.000 0.981 39 R CB -0.136 30.254 30.300 0.149 0.000 0.870 39 R HN 0.579 nan 8.270 nan 0.000 0.451 40 E N -0.861 119.302 120.200 -0.061 0.000 2.434 40 E HA 0.001 4.354 4.350 0.006 0.000 0.207 40 E C 1.098 177.595 176.600 -0.172 0.000 0.929 40 E CA 0.064 56.421 56.400 -0.072 0.000 1.001 40 E CB 0.581 30.280 29.700 -0.001 0.000 1.016 40 E HN 0.100 nan 8.360 nan 0.000 0.502 41 K N -0.128 120.056 120.400 -0.359 0.000 2.262 41 K HA 0.169 4.492 4.320 0.006 0.000 0.200 41 K C 1.076 177.551 176.600 -0.210 0.000 1.058 41 K CA 0.896 56.918 56.287 -0.442 0.000 0.974 41 K CB 1.040 32.878 32.500 -1.103 0.000 0.910 41 K HN 0.201 nan 8.250 nan 0.000 0.484 42 G N 0.899 109.643 108.800 -0.094 0.000 2.481 42 G HA2 -0.279 3.685 3.960 0.006 0.000 0.230 42 G HA3 -0.279 3.685 3.960 0.006 0.000 0.230 42 G C 0.342 175.313 174.900 0.117 0.000 1.210 42 G CA -0.020 45.102 45.100 0.037 0.000 0.936 42 G HN 0.172 nan 8.290 nan 0.000 0.583 43 L N -0.194 121.072 121.223 0.072 0.000 2.885 43 L HA 0.259 4.602 4.340 0.006 0.000 0.251 43 L C 2.180 179.076 176.870 0.044 0.000 1.071 43 L CA 0.969 55.853 54.840 0.074 0.000 0.956 43 L CB 1.014 43.076 42.059 0.005 0.000 1.483 43 L HN 0.922 nan 8.230 nan 0.000 0.525 44 V N -3.235 116.694 119.914 0.026 0.000 3.249 44 V HA 0.137 4.260 4.120 0.006 0.000 0.338 44 V C 1.928 178.024 176.094 0.004 0.000 1.363 44 V CA 0.468 62.775 62.300 0.010 0.000 1.205 44 V CB -0.248 31.582 31.823 0.012 0.000 1.164 44 V HN 0.386 nan 8.190 nan 0.000 0.458 45 S N 2.732 118.431 115.700 -0.001 0.000 2.378 45 S HA -0.431 4.043 4.470 0.006 0.000 0.229 45 S C 1.935 176.540 174.600 0.008 0.000 1.052 45 S CA 2.361 60.554 58.200 -0.012 0.000 1.084 45 S CB -0.892 62.274 63.200 -0.058 0.000 0.950 45 S HN 0.859 nan 8.310 nan 0.000 0.440 46 Q N 1.055 120.856 119.800 0.002 0.000 2.248 46 Q HA -0.129 4.215 4.340 0.006 0.000 0.208 46 Q C 2.160 178.169 176.000 0.015 0.000 0.984 46 Q CA 1.666 57.470 55.803 0.002 0.000 0.875 46 Q CB -0.576 28.143 28.738 -0.032 0.000 0.910 46 Q HN 0.555 nan 8.270 nan 0.000 0.433 47 Q N 0.774 120.579 119.800 0.008 0.000 1.965 47 Q HA -0.012 4.332 4.340 0.006 0.000 0.200 47 Q C 2.360 178.393 176.000 0.055 0.000 0.981 47 Q CA 1.460 57.271 55.803 0.013 0.000 0.834 47 Q CB -0.426 28.295 28.738 -0.029 0.000 0.900 47 Q HN 0.485 nan 8.270 nan 0.000 0.426 48 L N 1.189 122.435 121.223 0.038 0.000 2.081 48 L HA -0.242 4.102 4.340 0.006 0.000 0.212 48 L C 1.981 178.925 176.870 0.124 0.000 1.080 48 L CA 1.181 56.070 54.840 0.082 0.000 0.754 48 L CB -0.553 41.531 42.059 0.041 0.000 0.893 48 L HN 0.153 nan 8.230 nan 0.000 0.433 49 D N -0.901 119.550 120.400 0.086 0.000 2.144 49 D HA -0.150 4.494 4.640 0.006 0.000 0.200 49 D C 2.408 178.766 176.300 0.097 0.000 0.978 49 D CA 1.241 55.289 54.000 0.081 0.000 0.833 49 D CB 0.018 40.859 40.800 0.070 0.000 0.961 49 D HN 0.083 nan 8.370 nan 0.000 0.470 50 S N -0.794 114.973 115.700 0.112 0.000 2.402 50 S HA -0.117 4.356 4.470 0.006 0.000 0.229 50 S C 1.622 176.346 174.600 0.207 0.000 1.021 50 S CA 0.403 58.679 58.200 0.127 0.000 0.974 50 S CB -0.210 63.054 63.200 0.105 0.000 0.800 50 S HN 0.188 nan 8.310 nan 0.000 0.484 51 F N 2.635 122.646 119.950 0.100 0.000 2.234 51 F HA 0.118 4.649 4.527 0.006 0.000 0.296 51 F C 1.974 177.881 175.800 0.178 0.000 1.089 51 F CA 0.942 59.045 58.000 0.171 0.000 1.343 51 F CB -0.361 38.718 39.000 0.131 0.000 1.040 51 F HN 0.195 nan 8.300 nan 0.000 0.498 52 N N 0.371 119.147 118.700 0.126 0.000 2.084 52 N HA -0.219 4.525 4.740 0.006 0.000 0.190 52 N C 1.808 177.309 175.510 -0.016 0.000 1.030 52 N CA 1.332 54.394 53.050 0.021 0.000 0.849 52 N CB -0.711 37.819 38.487 0.072 0.000 1.012 52 N HN 0.329 nan 8.380 nan 0.000 0.423 53 Q N 0.120 119.930 119.800 0.016 0.000 2.234 53 Q HA -0.072 4.271 4.340 0.006 0.000 0.206 53 Q C 1.671 177.693 176.000 0.037 0.000 0.980 53 Q CA 0.884 56.686 55.803 -0.000 0.000 0.869 53 Q CB -0.320 28.396 28.738 -0.037 0.000 0.912 53 Q HN 0.337 nan 8.270 nan 0.000 0.436 54 F N -1.005 118.848 119.950 -0.163 0.000 2.074 54 F HA -0.111 4.420 4.527 0.006 0.000 0.293 54 F C 1.831 177.449 175.800 -0.303 0.000 1.116 54 F CA 1.299 59.162 58.000 -0.229 0.000 1.212 54 F CB -0.795 38.029 39.000 -0.294 0.000 0.998 54 F HN -0.070 nan 8.300 nan 0.000 0.471 55 V N 0.873 120.372 119.914 -0.692 0.000 2.261 55 V HA -0.297 3.827 4.120 0.006 0.000 0.246 55 V C 2.125 177.951 176.094 -0.447 0.000 1.047 55 V CA 2.428 64.292 62.300 -0.728 0.000 1.015 55 V CB -0.697 30.795 31.823 -0.553 0.000 0.642 55 V HN 0.292 nan 8.190 nan 0.000 0.446 56 D N -1.822 118.449 120.400 -0.216 0.000 2.144 56 D HA -0.116 4.528 4.640 0.006 0.000 0.200 56 D C 1.702 177.889 176.300 -0.188 0.000 0.978 56 D CA 1.599 55.524 54.000 -0.125 0.000 0.833 56 D CB -0.008 40.859 40.800 0.113 0.000 0.961 56 D HN 0.597 nan 8.370 nan 0.000 0.470 57 Y N -0.838 119.326 120.300 -0.228 0.000 2.784 57 Y HA 0.107 4.660 4.550 0.006 0.000 0.267 57 Y C 2.341 178.124 175.900 -0.196 0.000 1.117 57 Y CA 0.462 58.456 58.100 -0.177 0.000 1.231 57 Y CB -0.348 38.047 38.460 -0.108 0.000 1.441 57 Y HN -0.166 nan 8.280 nan 0.000 0.469 58 T N 1.075 115.615 114.554 -0.024 0.000 2.915 58 T HA -0.117 4.237 4.350 0.006 0.000 0.269 58 T C 1.812 176.381 174.700 -0.219 0.000 1.071 58 T CA 1.107 63.180 62.100 -0.044 0.000 1.132 58 T CB -0.295 68.654 68.868 0.135 0.000 0.878 58 T HN 0.035 nan 8.240 nan 0.000 0.479 59 L N 0.992 121.908 121.223 -0.512 0.000 2.131 59 L HA 0.125 4.469 4.340 0.006 0.000 0.206 59 L C 2.517 179.136 176.870 -0.418 0.000 1.087 59 L CA 1.586 56.014 54.840 -0.686 0.000 0.767 59 L CB -0.765 40.723 42.059 -0.951 0.000 0.917 59 L HN 0.069 nan 8.230 nan 0.000 0.441 60 Q N -0.503 119.101 119.800 -0.327 0.000 2.170 60 Q HA -0.191 4.153 4.340 0.006 0.000 0.203 60 Q C 1.713 177.622 176.000 -0.151 0.000 0.976 60 Q CA 1.777 57.436 55.803 -0.239 0.000 0.858 60 Q CB -0.094 28.501 28.738 -0.238 0.000 0.907 60 Q HN 0.476 nan 8.270 nan 0.000 0.433 61 D N -0.655 119.679 120.400 -0.110 0.000 2.097 61 D HA -0.101 4.543 4.640 0.006 0.000 0.197 61 D C 1.485 177.767 176.300 -0.029 0.000 0.984 61 D CA 0.904 54.877 54.000 -0.044 0.000 0.826 61 D CB -0.032 40.764 40.800 -0.006 0.000 0.973 61 D HN 0.263 nan 8.370 nan 0.000 0.460 62 I N 0.380 120.924 120.570 -0.043 0.000 2.614 62 I HA -0.115 4.058 4.170 0.006 0.000 0.258 62 I C 2.142 178.227 176.117 -0.054 0.000 1.189 62 I CA 0.527 61.840 61.300 0.023 0.000 1.462 62 I CB -0.588 37.486 38.000 0.123 0.000 1.092 62 I HN 0.004 nan 8.210 nan 0.000 0.442 63 I N 0.125 120.581 120.570 -0.189 0.000 2.761 63 I HA -0.107 4.066 4.170 0.006 0.000 0.261 63 I C 0.611 176.717 176.117 -0.018 0.000 1.198 63 I CA 0.843 61.945 61.300 -0.330 0.000 1.482 63 I CB 0.154 37.918 38.000 -0.393 0.000 1.100 63 I HN 0.156 nan 8.210 nan 0.000 0.445 64 C N 2.441 121.758 119.300 0.028 0.000 2.362 64 C HA 0.528 4.991 4.460 0.006 0.000 0.309 64 C C 0.974 176.020 174.990 0.093 0.000 1.110 64 C CA -0.485 58.587 59.018 0.091 0.000 1.485 64 C CB -0.448 27.320 27.740 0.047 0.000 1.949 64 C HN 0.574 nan 8.230 nan 0.000 0.419 65 E N 1.608 121.888 120.200 0.133 0.000 2.097 65 E HA -0.058 4.296 4.350 0.006 0.000 0.231 65 E C -0.004 176.665 176.600 0.115 0.000 1.073 65 E CA 0.525 56.987 56.400 0.105 0.000 1.554 65 E CB -0.550 29.200 29.700 0.083 0.000 3.728 65 E HN 0.586 nan 8.360 nan 0.000 1.007 66 D N 1.535 122.024 120.400 0.149 0.000 2.599 66 D HA 0.198 4.842 4.640 0.006 0.000 0.249 66 D C 1.244 177.661 176.300 0.194 0.000 1.313 66 D CA 0.497 54.577 54.000 0.134 0.000 0.815 66 D CB 0.680 41.541 40.800 0.100 0.000 1.077 66 D HN 0.059 nan 8.370 nan 0.000 0.492 67 S N -0.028 115.836 115.700 0.274 0.000 2.359 67 S HA -0.161 4.312 4.470 0.006 0.000 0.223 67 S C 1.329 176.124 174.600 0.325 0.000 1.039 67 S CA 1.717 60.182 58.200 0.442 0.000 1.042 67 S CB -0.576 62.897 63.200 0.455 0.000 0.915 67 S HN 0.471 nan 8.310 nan 0.000 0.439 68 T N 0.570 115.234 114.554 0.183 0.000 2.652 68 T HA 0.354 4.708 4.350 0.006 0.000 0.345 68 T C -0.098 174.673 174.700 0.118 0.000 1.051 68 T CA 0.690 62.851 62.100 0.101 0.000 1.021 68 T CB -0.523 68.390 68.868 0.075 0.000 1.141 68 T HN 1.130 nan 8.240 nan 0.000 0.518 69 L N 0.673 121.964 121.223 0.112 0.000 0.950 69 L HA 0.142 4.485 4.340 0.006 0.000 0.413 69 L C -1.575 175.462 176.870 0.277 0.000 1.003 69 L CA -0.257 54.688 54.840 0.176 0.000 1.192 69 L CB -0.301 41.842 42.059 0.140 0.000 1.082 69 L HN 0.842 nan 8.230 nan 0.000 0.611 70 I N 6.413 127.163 120.570 0.300 0.000 2.777 70 I HA 0.477 4.651 4.170 0.006 0.000 0.277 70 I C -1.847 174.420 176.117 0.249 0.000 1.500 70 I CA 0.404 61.855 61.300 0.250 0.000 1.355 70 I CB 0.768 38.905 38.000 0.228 0.000 1.673 70 I HN 1.497 nan 8.210 nan 0.000 0.397 71 L N 5.878 127.195 121.223 0.156 0.000 4.684 71 L HA 0.749 5.092 4.340 0.006 0.000 0.218 71 L C -0.560 176.339 176.870 0.048 0.000 1.048 71 L CA -0.118 54.792 54.840 0.116 0.000 0.929 71 L CB -0.262 41.854 42.059 0.095 0.000 1.404 71 L HN 0.736 nan 8.230 nan 0.000 0.319 72 E N 0.456 120.659 120.200 0.004 0.000 1.910 72 E HA 0.207 4.561 4.350 0.006 0.000 0.215 72 E C -1.357 175.108 176.600 -0.224 0.000 2.525 72 E CA 0.640 56.983 56.400 -0.096 0.000 1.708 72 E CB -0.395 29.227 29.700 -0.131 0.000 0.471 72 E HN 0.831 nan 8.360 nan 0.000 0.858 89 E N 1.348 121.613 120.200 0.108 0.000 2.156 89 E HA 0.645 4.999 4.350 0.006 0.000 0.279 89 E C -0.091 176.501 176.600 -0.013 0.000 0.965 89 E CA -1.042 55.379 56.400 0.035 0.000 0.789 89 E CB 1.304 31.031 29.700 0.045 0.000 1.098 89 E HN 0.216 nan 8.360 nan 0.000 0.397 90 I N 1.090 121.631 120.570 -0.049 0.000 8.192 90 I HA -0.176 3.998 4.170 0.006 0.000 0.126 90 I C -0.664 175.306 176.117 -0.245 0.000 1.847 90 I CA 0.769 61.993 61.300 -0.125 0.000 2.049 90 I CB -1.497 36.451 38.000 -0.086 0.000 3.776 90 I HN 0.666 nan 8.210 nan 0.000 0.173 91 S N 6.713 122.218 115.700 -0.324 0.000 2.584 91 S HA 0.691 5.164 4.470 0.006 0.000 0.280 91 S C -0.506 173.941 174.600 -0.255 0.000 1.162 91 S CA -0.708 57.300 58.200 -0.320 0.000 0.951 91 S CB 0.577 63.721 63.200 -0.095 0.000 1.108 91 S HN 0.232 nan 8.310 nan 0.000 0.464 92 F N 2.872 122.893 119.950 0.119 0.000 2.429 92 F HA 0.586 5.117 4.527 0.006 0.000 0.348 92 F C 1.465 177.303 175.800 0.063 0.000 1.109 92 F CA 0.480 58.547 58.000 0.112 0.000 1.232 92 F CB 0.819 39.918 39.000 0.164 0.000 1.157 92 F HN 0.678 nan 8.300 nan 0.000 0.564 93 G N 1.331 110.267 108.800 0.227 0.000 3.286 93 G HA2 0.227 4.190 3.960 0.006 0.000 0.166 93 G HA3 0.227 4.190 3.960 0.006 0.000 0.166 93 G C -0.689 174.236 174.900 0.042 0.000 1.155 93 G CA -0.705 44.460 45.100 0.107 0.000 0.871 93 G HN 0.373 nan 8.290 nan 0.000 0.637 94 K N 0.519 120.909 120.400 -0.016 0.000 2.485 94 K HA 0.097 4.420 4.320 0.006 0.000 0.277 94 K C -0.871 175.594 176.600 -0.226 0.000 0.990 94 K CA 0.110 56.289 56.287 -0.180 0.000 0.994 94 K CB 0.567 32.912 32.500 -0.258 0.000 0.906 94 K HN 0.336 nan 8.250 nan 0.000 0.488 95 I N 4.692 125.057 120.570 -0.341 0.000 2.389 95 I HA 0.195 4.369 4.170 0.006 0.000 0.288 95 I C -1.264 174.654 176.117 -0.332 0.000 0.999 95 I CA -0.894 60.262 61.300 -0.240 0.000 1.129 95 I CB 0.595 38.472 38.000 -0.206 0.000 1.288 95 I HN 0.467 nan 8.210 nan 0.000 0.444 96 Y N 5.876 126.190 120.300 0.023 0.000 2.342 96 Y HA 0.521 5.074 4.550 0.006 0.000 0.334 96 Y C -0.158 175.789 175.900 0.078 0.000 1.067 96 Y CA -0.706 57.420 58.100 0.044 0.000 1.128 96 Y CB 1.768 40.277 38.460 0.081 0.000 1.200 96 Y HN 0.179 nan 8.280 nan 0.000 0.464 97 V N 3.222 123.230 119.914 0.157 0.000 2.378 97 V HA 0.344 4.468 4.120 0.006 0.000 0.288 97 V C -0.113 176.053 176.094 0.121 0.000 1.016 97 V CA -1.059 61.303 62.300 0.103 0.000 0.840 97 V CB 1.173 32.983 31.823 -0.022 0.000 0.994 97 V HN 0.883 nan 8.190 nan 0.000 0.431 98 T N 3.124 117.782 114.554 0.174 0.000 2.788 98 T HA 0.333 4.687 4.350 0.006 0.000 0.287 98 T C 0.153 174.871 174.700 0.031 0.000 1.007 98 T CA -0.835 61.342 62.100 0.129 0.000 1.005 98 T CB 0.721 69.712 68.868 0.206 0.000 1.012 98 T HN 0.479 nan 8.240 nan 0.000 0.530 99 K N 2.053 122.440 120.400 -0.022 0.000 2.295 99 K HA 0.207 4.530 4.320 0.006 0.000 0.270 99 K C -2.337 174.225 176.600 -0.063 0.000 1.011 99 K CA -1.812 54.380 56.287 -0.158 0.000 0.953 99 K CB 0.030 32.374 32.500 -0.261 0.000 0.956 99 K HN 0.430 nan 8.250 nan 0.000 0.477 100 P HA 0.068 nan 4.420 nan 0.000 0.266 100 P C -0.520 176.795 177.300 0.024 0.000 1.195 100 P CA 0.447 63.463 63.100 -0.140 0.000 0.768 100 P CB 0.633 32.004 31.700 -0.548 0.000 0.838 101 M N 1.134 120.753 119.600 0.031 0.000 2.721 101 M HA 0.460 4.944 4.480 0.006 0.000 0.271 101 M C -1.271 175.066 176.300 0.062 0.000 1.259 101 M CA -1.017 54.322 55.300 0.065 0.000 0.835 101 M CB 2.573 35.224 32.600 0.086 0.000 1.689 101 M HN -0.070 nan 8.290 nan 0.000 0.470 102 V N 1.196 121.151 119.914 0.070 0.000 2.808 102 V HA 0.391 4.515 4.120 0.006 0.000 0.308 102 V C -1.318 174.811 176.094 0.060 0.000 1.099 102 V CA -0.892 61.444 62.300 0.059 0.000 0.920 102 V CB 2.447 34.297 31.823 0.045 0.000 1.014 102 V HN 0.819 nan 8.190 nan 0.000 0.425 103 N N 3.401 122.121 118.700 0.034 0.000 2.415 103 N HA 0.281 5.025 4.740 0.006 0.000 0.246 103 N C -0.352 175.175 175.510 0.028 0.000 1.078 103 N CA -0.375 52.686 53.050 0.020 0.000 0.942 103 N CB 0.627 39.105 38.487 -0.014 0.000 1.140 103 N HN 0.536 nan 8.380 nan 0.000 0.501 104 E N 0.461 120.688 120.200 0.045 0.000 2.338 104 E HA 0.036 4.390 4.350 0.006 0.000 0.272 104 E C -0.071 176.543 176.600 0.024 0.000 1.029 104 E CA -0.172 56.255 56.400 0.045 0.000 0.872 104 E CB 0.576 30.320 29.700 0.075 0.000 1.015 104 E HN 0.551 nan 8.360 nan 0.000 0.417 105 S N 3.108 118.817 115.700 0.015 0.000 2.457 105 S HA -0.007 4.467 4.470 0.006 0.000 0.294 105 S C 0.249 174.853 174.600 0.006 0.000 1.201 105 S CA -0.501 57.701 58.200 0.003 0.000 1.112 105 S CB 0.110 63.306 63.200 -0.007 0.000 1.018 105 S HN 0.535 nan 8.310 nan 0.000 0.511 106 D N 1.661 122.063 120.400 0.003 0.000 3.437 106 D HA -0.085 4.559 4.640 0.006 0.000 0.243 106 D C 0.195 176.502 176.300 0.012 0.000 1.104 106 D CA 1.730 55.733 54.000 0.005 0.000 1.009 106 D CB -1.185 39.618 40.800 0.004 0.000 0.937 106 D HN 1.143 nan 8.370 nan 0.000 0.417 107 G N -0.975 107.832 108.800 0.011 0.000 2.430 107 G HA2 0.482 4.446 3.960 0.006 0.000 0.300 107 G HA3 0.482 4.446 3.960 0.006 0.000 0.300 107 G C -0.174 174.732 174.900 0.009 0.000 1.330 107 G CA -0.089 45.021 45.100 0.017 0.000 0.813 107 G HN 0.312 nan 8.290 nan 0.000 0.487 108 V N -0.394 119.522 119.914 0.004 0.000 3.641 108 V HA 0.561 4.684 4.120 0.006 0.000 0.286 108 V C 0.738 176.834 176.094 0.003 0.000 1.027 108 V CA -0.212 62.079 62.300 -0.015 0.000 1.032 108 V CB 1.180 32.971 31.823 -0.053 0.000 1.238 108 V HN 0.835 nan 8.190 nan 0.000 0.439 109 T N 0.370 114.919 114.554 -0.009 0.000 2.749 109 T HA 0.420 4.773 4.350 0.006 0.000 0.287 109 T C -0.571 174.145 174.700 0.028 0.000 0.970 109 T CA -0.153 61.960 62.100 0.021 0.000 0.980 109 T CB 0.208 69.081 68.868 0.009 0.000 0.924 109 T HN 0.738 nan 8.240 nan 0.000 0.456 110 H N 1.290 120.359 119.070 -0.001 0.000 2.463 110 H HA 0.590 5.150 4.556 0.006 0.000 0.332 110 H C -0.069 175.241 175.328 -0.031 0.000 1.127 110 H CA -0.744 55.300 56.048 -0.007 0.000 1.238 110 H CB 0.876 30.640 29.762 0.002 0.000 1.478 110 H HN 0.834 nan 8.280 nan 0.000 0.499 111 A N 4.714 127.639 122.820 0.175 0.000 2.347 111 A HA 0.275 4.599 4.320 0.006 0.000 0.287 111 A C -0.881 176.558 177.584 -0.242 0.000 1.199 111 A CA -0.436 51.580 52.037 -0.034 0.000 0.851 111 A CB -0.172 18.751 19.000 -0.130 0.000 1.118 111 A HN 0.546 nan 8.150 nan 0.000 0.525 112 L N 3.822 124.911 121.223 -0.224 0.000 2.292 112 L HA 0.593 4.936 4.340 0.006 0.000 0.284 112 L C -0.970 175.741 176.870 -0.265 0.000 1.065 112 L CA -0.062 54.666 54.840 -0.188 0.000 0.806 112 L CB 0.285 42.366 42.059 0.036 0.000 1.175 112 L HN 0.625 nan 8.230 nan 0.000 0.431 113 Y N 6.080 126.446 120.300 0.109 0.000 2.496 113 Y HA 0.453 5.007 4.550 0.006 0.000 0.331 113 Y C -1.382 174.544 175.900 0.043 0.000 1.140 113 Y CA -1.619 56.546 58.100 0.108 0.000 1.166 113 Y CB 0.518 38.959 38.460 -0.033 0.000 1.249 113 Y HN 0.554 nan 8.280 nan 0.000 0.479 114 P HA -0.335 nan 4.420 nan 0.000 0.214 114 P C 1.319 178.604 177.300 -0.026 0.000 1.164 114 P CA 1.848 64.806 63.100 -0.238 0.000 0.942 114 P CB 0.289 31.876 31.700 -0.188 0.000 0.791 115 Q N 0.282 120.103 119.800 0.035 0.000 2.012 115 Q HA -0.254 4.089 4.340 0.006 0.000 0.211 115 Q C 2.327 178.366 176.000 0.065 0.000 1.009 115 Q CA 2.480 58.312 55.803 0.049 0.000 0.866 115 Q CB -1.310 27.451 28.738 0.038 0.000 0.945 115 Q HN 0.362 nan 8.270 nan 0.000 0.414 116 E N -1.281 118.968 120.200 0.082 0.000 2.113 116 E HA -0.314 4.039 4.350 0.006 0.000 0.210 116 E C 1.665 178.307 176.600 0.070 0.000 1.040 116 E CA 1.660 58.100 56.400 0.068 0.000 0.847 116 E CB -0.388 29.338 29.700 0.042 0.000 0.755 116 E HN 0.465 nan 8.360 nan 0.000 0.459 117 A N 0.505 123.375 122.820 0.084 0.000 1.968 117 A HA -0.114 4.210 4.320 0.006 0.000 0.217 117 A C 2.102 179.738 177.584 0.087 0.000 1.169 117 A CA 1.185 53.278 52.037 0.093 0.000 0.638 117 A CB -0.338 18.753 19.000 0.151 0.000 0.812 117 A HN 0.178 nan 8.150 nan 0.000 0.446 118 R N -0.656 119.894 120.500 0.083 0.000 2.070 118 R HA -0.072 4.271 4.340 0.006 0.000 0.233 118 R C 2.066 178.433 176.300 0.113 0.000 1.137 118 R CA 1.573 57.729 56.100 0.093 0.000 0.945 118 R CB -0.561 29.791 30.300 0.087 0.000 0.845 118 R HN 0.498 nan 8.270 nan 0.000 0.430 119 L N 0.811 122.102 121.223 0.113 0.000 1.956 119 L HA -0.223 4.120 4.340 0.006 0.000 0.216 119 L C 2.036 179.059 176.870 0.255 0.000 1.073 119 L CA 1.665 56.596 54.840 0.151 0.000 0.762 119 L CB -0.325 41.803 42.059 0.114 0.000 0.889 119 L HN 0.251 nan 8.230 nan 0.000 0.433 120 R N 0.317 120.931 120.500 0.189 0.000 2.555 120 R HA 0.131 4.475 4.340 0.006 0.000 0.272 120 R C -0.250 175.970 176.300 -0.133 0.000 1.089 120 R CA 0.029 56.228 56.100 0.165 0.000 1.126 120 R CB -1.016 29.368 30.300 0.140 0.000 1.250 120 R HN 0.371 nan 8.270 nan 0.000 0.551 121 N N 1.071 119.751 118.700 -0.033 0.000 2.688 121 N HA -0.183 4.561 4.740 0.006 0.000 0.258 121 N C -0.892 174.565 175.510 -0.087 0.000 1.016 121 N CA 0.108 53.107 53.050 -0.084 0.000 0.747 121 N CB -0.590 37.770 38.487 -0.212 0.000 0.895 121 N HN 0.365 nan 8.380 nan 0.000 0.543 122 L N -0.465 120.753 121.223 -0.009 0.000 2.347 122 L HA 0.547 4.891 4.340 0.006 0.000 0.268 122 L C 0.736 177.650 176.870 0.072 0.000 1.019 122 L CA -0.741 54.109 54.840 0.017 0.000 0.806 122 L CB 1.553 43.632 42.059 0.033 0.000 1.339 122 L HN -0.031 nan 8.230 nan 0.000 0.463 123 T N -0.323 114.286 114.554 0.091 0.000 2.758 123 T HA 0.204 4.557 4.350 0.006 0.000 0.285 123 T C -0.741 174.075 174.700 0.193 0.000 0.981 123 T CA -0.152 62.031 62.100 0.137 0.000 0.965 123 T CB 0.279 69.209 68.868 0.104 0.000 0.927 123 T HN 0.243 nan 8.240 nan 0.000 0.448 124 Y N 4.775 125.133 120.300 0.097 0.000 2.573 124 Y HA 0.354 4.908 4.550 0.006 0.000 0.346 124 Y C 0.091 176.067 175.900 0.126 0.000 1.198 124 Y CA -0.538 57.625 58.100 0.105 0.000 1.627 124 Y CB -0.544 37.977 38.460 0.102 0.000 1.457 124 Y HN 0.600 nan 8.280 nan 0.000 0.483 125 S N 2.216 117.883 115.700 -0.056 0.000 2.572 125 S HA 0.638 5.112 4.470 0.006 0.000 0.274 125 S C -0.738 173.847 174.600 -0.025 0.000 1.150 125 S CA -0.979 57.209 58.200 -0.021 0.000 0.944 125 S CB 0.990 64.234 63.200 0.072 0.000 1.071 125 S HN 0.519 nan 8.310 nan 0.000 0.479 126 S N 1.758 117.450 115.700 -0.014 0.000 2.651 126 S HA 0.866 5.339 4.470 0.006 0.000 0.291 126 S C 0.549 175.212 174.600 0.104 0.000 1.141 126 S CA -0.688 57.537 58.200 0.041 0.000 1.027 126 S CB 1.023 64.229 63.200 0.010 0.000 1.043 126 S HN 1.221 nan 8.310 nan 0.000 0.530 127 G N 0.769 109.683 108.800 0.189 0.000 2.476 127 G HA2 0.515 4.478 3.960 0.006 0.000 0.269 127 G HA3 0.515 4.478 3.960 0.006 0.000 0.269 127 G C -0.766 174.113 174.900 -0.034 0.000 1.195 127 G CA -0.729 44.475 45.100 0.173 0.000 0.843 127 G HN 0.536 nan 8.290 nan 0.000 0.545 128 L N 1.001 122.019 121.223 -0.342 0.000 2.282 128 L HA 0.517 4.860 4.340 0.006 0.000 0.288 128 L C -0.685 175.880 176.870 -0.509 0.000 1.033 128 L CA -0.550 54.121 54.840 -0.281 0.000 0.807 128 L CB 0.595 42.534 42.059 -0.200 0.000 1.209 128 L HN 0.332 nan 8.230 nan 0.000 0.423 129 F N 2.368 122.371 119.950 0.088 0.000 2.520 129 F HA 0.690 5.221 4.527 0.006 0.000 0.322 129 F C 0.130 176.034 175.800 0.172 0.000 1.103 129 F CA -0.879 57.211 58.000 0.149 0.000 0.926 129 F CB 2.375 41.490 39.000 0.191 0.000 1.154 129 F HN 0.140 nan 8.300 nan 0.000 0.453 130 V N 2.902 123.017 119.914 0.335 0.000 2.808 130 V HA 0.399 4.522 4.120 0.006 0.000 0.308 130 V C -1.297 174.984 176.094 0.312 0.000 1.099 130 V CA -0.703 61.756 62.300 0.266 0.000 0.920 130 V CB 2.082 33.984 31.823 0.131 0.000 1.014 130 V HN 0.642 nan 8.190 nan 0.000 0.425 131 D N 4.396 124.971 120.400 0.291 0.000 2.371 131 D HA 0.292 4.935 4.640 0.006 0.000 0.256 131 D C -0.308 176.126 176.300 0.224 0.000 1.193 131 D CA 0.376 54.523 54.000 0.245 0.000 0.881 131 D CB 1.699 42.628 40.800 0.215 0.000 1.143 131 D HN 0.327 nan 8.370 nan 0.000 0.473 132 V N 4.088 124.113 119.914 0.186 0.000 2.284 132 V HA 0.146 4.269 4.120 0.006 0.000 0.274 132 V C 0.644 176.758 176.094 0.035 0.000 1.023 132 V CA -0.837 61.529 62.300 0.111 0.000 0.808 132 V CB 0.818 32.733 31.823 0.153 0.000 1.035 132 V HN 0.258 nan 8.190 nan 0.000 0.445 133 K N 4.041 124.439 120.400 -0.003 0.000 2.319 133 K HA 0.311 4.634 4.320 0.006 0.000 0.265 133 K C 0.266 176.850 176.600 -0.026 0.000 1.000 133 K CA -0.371 55.911 56.287 -0.009 0.000 0.943 133 K CB 0.660 33.150 32.500 -0.016 0.000 0.950 133 K HN 0.603 nan 8.250 nan 0.000 0.485 134 K N 3.585 123.980 120.400 -0.008 0.000 2.449 134 K HA 0.348 4.671 4.320 0.006 0.000 0.257 134 K C -0.783 175.817 176.600 -0.000 0.000 0.989 134 K CA -0.544 55.745 56.287 0.002 0.000 0.916 134 K CB 1.403 33.917 32.500 0.022 0.000 1.136 134 K HN 0.448 nan 8.250 nan 0.000 0.439 135 R N 1.242 121.736 120.500 -0.009 0.000 2.514 135 R HA 0.387 4.730 4.340 0.006 0.000 0.301 135 R C 0.128 176.395 176.300 -0.054 0.000 0.962 135 R CA -0.367 55.722 56.100 -0.019 0.000 0.882 135 R CB 2.015 32.291 30.300 -0.040 0.000 1.143 135 R HN 0.656 nan 8.270 nan 0.000 0.452 136 T N 0.339 114.844 114.554 -0.082 0.000 3.330 136 T HA 0.019 4.373 4.350 0.006 0.000 0.240 136 T C 0.665 175.004 174.700 -0.602 0.000 0.988 136 T CA 0.427 62.292 62.100 -0.391 0.000 1.253 136 T CB -0.048 68.796 68.868 -0.041 0.000 1.163 136 T HN 0.719 nan 8.240 nan 0.000 0.382 137 Y N 1.542 121.641 120.300 -0.335 0.000 2.678 137 Y HA 0.533 5.086 4.550 0.006 0.000 0.274 137 Y C 0.570 176.420 175.900 -0.083 0.000 1.114 137 Y CA 0.391 58.395 58.100 -0.161 0.000 1.274 137 Y CB 0.522 38.916 38.460 -0.111 0.000 1.438 137 Y HN 0.248 nan 8.280 nan 0.000 0.493 138 E N 0.173 119.729 120.200 -1.073 0.000 3.432 138 E HA 0.335 4.688 4.350 0.006 0.000 0.228 138 E C 0.097 176.161 176.600 -0.893 0.000 1.063 138 E CA 0.467 56.446 56.400 -0.701 0.000 1.389 138 E CB -0.107 29.424 29.700 -0.281 0.000 1.172 138 E HN 0.381 nan 8.360 nan 0.000 0.383 139 A N 1.312 123.606 122.820 -0.878 0.000 1.935 139 A HA 0.118 4.442 4.320 0.006 0.000 0.214 139 A C 2.140 179.608 177.584 -0.194 0.000 1.178 139 A CA 1.180 52.966 52.037 -0.419 0.000 0.640 139 A CB -0.514 18.332 19.000 -0.257 0.000 0.825 139 A HN 0.447 nan 8.150 nan 0.000 0.447 140 I N -1.637 118.844 120.570 -0.148 0.000 2.296 140 I HA 0.022 4.196 4.170 0.006 0.000 0.242 140 I C 0.141 176.144 176.117 -0.190 0.000 1.087 140 I CA 1.103 62.286 61.300 -0.195 0.000 1.393 140 I CB -0.480 37.500 38.000 -0.034 0.000 1.093 140 I HN 0.213 nan 8.210 nan 0.000 0.421 141 D N 1.455 121.834 120.400 -0.035 0.000 3.008 141 D HA 0.540 5.184 4.640 0.006 0.000 0.312 141 D C -0.022 176.286 176.300 0.014 0.000 1.361 141 D CA -0.636 53.373 54.000 0.016 0.000 0.858 141 D CB 0.682 41.625 40.800 0.238 0.000 1.098 141 D HN 0.143 nan 8.370 nan 0.000 0.482 142 V N -0.517 119.385 119.914 -0.020 0.000 3.374 142 V HA -0.189 3.935 4.120 0.006 0.000 0.485 142 V C -1.736 174.345 176.094 -0.021 0.000 0.682 142 V CA -0.594 61.705 62.300 -0.002 0.000 2.030 142 V CB -0.492 31.342 31.823 0.018 0.000 2.476 142 V HN 0.126 nan 8.190 nan 0.000 0.502 143 P HA 0.060 nan 4.420 nan 0.000 0.207 143 P C 0.363 177.656 177.300 -0.011 0.000 0.954 143 P CA 2.454 65.547 63.100 -0.012 0.000 0.990 143 P CB -0.005 31.695 31.700 -0.000 0.000 0.721 144 G N -3.048 105.752 108.800 -0.001 0.000 1.932 144 G HA2 0.289 4.253 3.960 0.006 0.000 0.260 144 G HA3 0.289 4.253 3.960 0.006 0.000 0.260 144 G C -0.364 174.543 174.900 0.011 0.000 1.708 144 G CA -0.600 44.504 45.100 0.007 0.000 0.912 144 G HN -0.003 nan 8.290 nan 0.000 0.710 145 R N 0.542 121.049 120.500 0.011 0.000 4.494 145 R HA 0.352 4.695 4.340 0.006 0.000 0.124 145 R C -0.207 176.098 176.300 0.008 0.000 1.588 145 R CA 0.278 56.384 56.100 0.010 0.000 1.083 145 R CB 0.028 30.336 30.300 0.013 0.000 1.313 145 R HN 0.706 nan 8.270 nan 0.000 0.426 146 E N 1.958 122.163 120.200 0.008 0.000 5.927 146 E HA -0.198 4.156 4.350 0.006 0.000 0.230 146 E C -0.919 175.685 176.600 0.007 0.000 1.566 146 E CA 0.752 57.158 56.400 0.009 0.000 1.286 146 E CB -0.936 28.771 29.700 0.012 0.000 0.975 146 E HN 0.313 nan 8.360 nan 0.000 0.314 165 V N 2.416 122.538 119.914 0.346 0.000 2.628 165 V HA 0.440 4.563 4.120 0.006 0.000 0.306 165 V C -0.911 175.447 176.094 0.441 0.000 1.045 165 V CA -0.726 61.798 62.300 0.373 0.000 0.905 165 V CB 1.508 33.493 31.823 0.270 0.000 0.997 165 V HN 0.253 nan 8.190 nan 0.000 0.436 166 F N 5.802 125.860 119.950 0.180 0.000 2.411 166 F HA 0.606 5.137 4.527 0.006 0.000 0.355 166 F C -0.269 175.441 175.800 -0.150 0.000 1.117 166 F CA -0.670 57.215 58.000 -0.191 0.000 1.139 166 F CB 0.624 39.564 39.000 -0.100 0.000 1.120 166 F HN 0.219 nan 8.300 nan 0.000 0.493 167 I N 7.165 127.206 120.570 -0.882 0.000 2.464 167 I HA 0.356 4.530 4.170 0.006 0.000 0.277 167 I C 0.672 176.258 176.117 -0.885 0.000 1.040 167 I CA -0.340 60.573 61.300 -0.644 0.000 1.153 167 I CB 0.175 37.993 38.000 -0.303 0.000 1.274 167 I HN 0.835 nan 8.210 nan 0.000 0.469 168 G N 6.633 114.859 108.800 -0.956 0.000 2.791 168 G HA2 -0.264 3.700 3.960 0.006 0.000 0.256 168 G HA3 -0.264 3.700 3.960 0.006 0.000 0.256 168 G C -0.124 174.491 174.900 -0.474 0.000 1.380 168 G CA -0.530 44.224 45.100 -0.576 0.000 0.904 168 G HN 0.657 nan 8.290 nan 0.000 0.563 169 R N -0.908 119.537 120.500 -0.091 0.000 2.480 169 R HA 0.486 4.829 4.340 0.006 0.000 0.306 169 R C -0.462 175.872 176.300 0.057 0.000 0.958 169 R CA -0.908 55.212 56.100 0.034 0.000 0.861 169 R CB 1.717 32.093 30.300 0.128 0.000 1.171 169 R HN 0.572 nan 8.270 nan 0.000 0.445 170 L N 5.308 126.584 121.223 0.088 0.000 2.276 170 L HA 0.444 4.787 4.340 0.006 0.000 0.286 170 L C -2.418 174.544 176.870 0.153 0.000 1.061 170 L CA -1.701 53.232 54.840 0.154 0.000 0.807 170 L CB 0.959 43.130 42.059 0.186 0.000 1.177 170 L HN 0.398 nan 8.230 nan 0.000 0.429 171 P HA 0.052 nan 4.420 nan 0.000 0.266 171 P C -1.041 176.465 177.300 0.343 0.000 1.193 171 P CA 0.297 63.497 63.100 0.166 0.000 0.770 171 P CB 0.335 32.037 31.700 0.002 0.000 0.836 172 I N 3.438 124.218 120.570 0.351 0.000 2.410 172 I HA 0.293 4.466 4.170 0.006 0.000 0.286 172 I C 0.390 176.544 176.117 0.062 0.000 1.009 172 I CA -0.875 60.589 61.300 0.274 0.000 1.111 172 I CB 1.161 39.201 38.000 0.067 0.000 1.262 172 I HN 0.437 nan 8.210 nan 0.000 0.443 173 M N 6.536 125.725 119.600 -0.685 0.000 2.268 173 M HA 0.113 4.597 4.480 0.006 0.000 0.349 173 M C -0.769 175.216 176.300 -0.526 0.000 1.485 173 M CA -0.372 54.235 55.300 -1.155 0.000 1.094 173 M CB 0.409 31.967 32.600 -1.736 0.000 1.843 173 M HN 0.359 nan 8.290 nan 0.000 0.460 174 L N 6.609 127.520 121.223 -0.521 0.000 2.534 174 L HA 0.080 4.424 4.340 0.006 0.000 0.271 174 L C 1.023 177.723 176.870 -0.283 0.000 1.178 174 L CA 1.332 55.939 54.840 -0.389 0.000 0.907 174 L CB -0.169 41.425 42.059 -0.776 0.000 1.164 174 L HN 0.968 nan 8.230 nan 0.000 0.482 175 R N 1.492 121.922 120.500 -0.117 0.000 3.644 175 R HA -0.150 4.193 4.340 0.006 0.000 0.308 175 R C -0.230 176.057 176.300 -0.021 0.000 1.161 175 R CA 0.771 56.838 56.100 -0.054 0.000 0.819 175 R CB -1.437 28.826 30.300 -0.062 0.000 1.363 175 R HN 0.864 nan 8.270 nan 0.000 0.479 176 S N -1.165 114.541 115.700 0.010 0.000 2.647 176 S HA 0.403 4.877 4.470 0.006 0.000 0.284 176 S C 1.093 175.750 174.600 0.095 0.000 1.134 176 S CA -0.511 57.749 58.200 0.101 0.000 1.027 176 S CB 1.230 64.591 63.200 0.269 0.000 1.180 176 S HN 0.293 nan 8.310 nan 0.000 0.521 177 K N 0.633 121.101 120.400 0.113 0.000 2.032 177 K HA -0.073 4.251 4.320 0.006 0.000 0.209 177 K C 1.477 178.094 176.600 0.029 0.000 1.048 177 K CA 1.911 58.233 56.287 0.060 0.000 0.927 177 K CB -0.554 31.974 32.500 0.046 0.000 0.712 177 K HN 0.565 nan 8.250 nan 0.000 0.441 178 N N -0.327 118.407 118.700 0.056 0.000 2.449 178 N HA -0.008 4.736 4.740 0.006 0.000 0.191 178 N C -0.249 175.193 175.510 -0.113 0.000 1.161 178 N CA -0.132 52.903 53.050 -0.026 0.000 0.863 178 N CB 0.218 38.713 38.487 0.013 0.000 0.980 178 N HN 0.107 nan 8.380 nan 0.000 0.458 179 C N -0.394 118.890 119.300 -0.026 0.000 2.398 179 C HA 0.205 4.669 4.460 0.006 0.000 0.364 179 C C 1.448 176.423 174.990 -0.026 0.000 1.219 179 C CA -0.594 58.443 59.018 0.032 0.000 2.312 179 C CB -0.232 27.587 27.740 0.132 0.000 2.428 179 C HN 0.478 nan 8.230 nan 0.000 0.564 180 Y N 1.782 122.219 120.300 0.228 0.000 2.457 180 Y HA 0.075 4.629 4.550 0.006 0.000 0.292 180 Y C 1.964 177.952 175.900 0.146 0.000 1.125 180 Y CA 0.877 59.106 58.100 0.214 0.000 1.254 180 Y CB -0.093 38.587 38.460 0.365 0.000 1.012 180 Y HN 0.564 nan 8.280 nan 0.000 0.555 181 L N -0.634 120.737 121.223 0.246 0.000 2.418 181 L HA -0.095 4.248 4.340 0.006 0.000 0.218 181 L C 2.271 179.184 176.870 0.071 0.000 1.125 181 L CA 0.971 55.886 54.840 0.124 0.000 0.835 181 L CB -0.636 41.460 42.059 0.062 0.000 0.953 181 L HN 0.227 nan 8.230 nan 0.000 0.454 182 S N -0.259 115.483 115.700 0.070 0.000 2.500 182 S HA -0.142 4.331 4.470 0.006 0.000 0.239 182 S C 1.270 175.894 174.600 0.040 0.000 0.989 182 S CA 1.024 59.249 58.200 0.042 0.000 0.951 182 S CB -0.125 63.098 63.200 0.038 0.000 0.759 182 S HN 0.498 nan 8.310 nan 0.000 0.523 183 E N 0.558 120.792 120.200 0.057 0.000 2.601 183 E HA 0.511 4.864 4.350 0.006 0.000 0.219 183 E C 0.289 176.914 176.600 0.042 0.000 0.964 183 E CA 0.236 56.664 56.400 0.047 0.000 1.050 183 E CB 0.886 30.619 29.700 0.056 0.000 1.068 183 E HN 0.560 nan 8.360 nan 0.000 0.496 184 A N 1.343 124.188 122.820 0.042 0.000 2.371 184 A HA 0.461 4.784 4.320 0.006 0.000 0.257 184 A C 0.687 178.260 177.584 -0.019 0.000 1.089 184 A CA -0.327 51.721 52.037 0.018 0.000 0.794 184 A CB 0.085 19.096 19.000 0.018 0.000 1.029 184 A HN 0.159 nan 8.150 nan 0.000 0.488 185 T N -0.467 114.069 114.554 -0.030 0.000 2.862 185 T HA 0.339 4.692 4.350 0.006 0.000 0.276 185 T C 0.976 175.618 174.700 -0.096 0.000 0.974 185 T CA -0.001 62.069 62.100 -0.051 0.000 0.966 185 T CB 1.047 69.895 68.868 -0.033 0.000 1.072 185 T HN 0.712 nan 8.240 nan 0.000 0.538 186 E N 0.530 120.659 120.200 -0.119 0.000 2.021 186 E HA -0.219 4.134 4.350 0.006 0.000 0.200 186 E C 2.386 178.874 176.600 -0.187 0.000 1.015 186 E CA 1.881 58.153 56.400 -0.213 0.000 0.824 186 E CB -0.336 29.261 29.700 -0.172 0.000 0.762 186 E HN 0.817 nan 8.360 nan 0.000 0.454 187 S N 0.956 116.635 115.700 -0.035 0.000 2.407 187 S HA -0.238 4.236 4.470 0.006 0.000 0.235 187 S C 1.541 176.150 174.600 0.015 0.000 1.036 187 S CA 1.724 59.956 58.200 0.054 0.000 1.013 187 S CB -0.398 62.826 63.200 0.041 0.000 0.820 187 S HN 0.267 nan 8.310 nan 0.000 0.476 188 D N 1.318 121.694 120.400 -0.041 0.000 2.183 188 D HA 0.092 4.736 4.640 0.006 0.000 0.203 188 D C 1.949 178.197 176.300 -0.086 0.000 0.969 188 D CA 0.705 54.672 54.000 -0.054 0.000 0.842 188 D CB -0.172 40.599 40.800 -0.049 0.000 0.957 188 D HN 0.390 nan 8.370 nan 0.000 0.484 189 L N -0.118 121.019 121.223 -0.143 0.000 2.005 189 L HA -0.190 4.153 4.340 0.006 0.000 0.207 189 L C 2.471 179.258 176.870 -0.138 0.000 1.072 189 L CA 1.100 55.824 54.840 -0.194 0.000 0.744 189 L CB -0.565 41.298 42.059 -0.326 0.000 0.895 189 L HN 0.084 nan 8.230 nan 0.000 0.433 190 Y N 0.215 120.468 120.300 -0.078 0.000 2.151 190 Y HA -0.350 4.203 4.550 0.006 0.000 0.284 190 Y C 2.632 178.481 175.900 -0.085 0.000 1.166 190 Y CA 1.213 59.265 58.100 -0.080 0.000 1.163 190 Y CB -0.182 38.231 38.460 -0.078 0.000 0.974 190 Y HN 0.100 nan 8.280 nan 0.000 0.511 191 K N 0.196 120.631 120.400 0.058 0.000 2.147 191 K HA -0.132 4.191 4.320 0.006 0.000 0.205 191 K C 1.424 177.983 176.600 -0.068 0.000 1.049 191 K CA 1.059 57.336 56.287 -0.017 0.000 0.936 191 K CB -0.187 32.285 32.500 -0.046 0.000 0.722 191 K HN 0.301 nan 8.250 nan 0.000 0.446 192 L N 0.539 121.705 121.223 -0.095 0.000 2.612 192 L HA 0.071 4.415 4.340 0.006 0.000 0.230 192 L C -0.140 176.685 176.870 -0.074 0.000 1.140 192 L CA 0.141 54.892 54.840 -0.148 0.000 0.896 192 L CB -0.177 41.760 42.059 -0.205 0.000 1.065 192 L HN 0.129 nan 8.230 nan 0.000 0.447 193 K N 0.346 120.728 120.400 -0.030 0.000 3.117 193 K HA -0.173 4.151 4.320 0.006 0.000 0.269 193 K C -0.125 176.472 176.600 -0.004 0.000 1.098 193 K CA 0.511 56.793 56.287 -0.009 0.000 0.785 193 K CB -0.973 31.517 32.500 -0.016 0.000 1.242 193 K HN 0.145 nan 8.250 nan 0.000 0.491 194 E N 0.845 121.035 120.200 -0.015 0.000 2.255 194 E HA 0.121 4.474 4.350 0.006 0.000 0.256 194 E C -0.725 175.845 176.600 -0.050 0.000 0.887 194 E CA -0.635 55.755 56.400 -0.018 0.000 0.782 194 E CB 1.444 31.129 29.700 -0.025 0.000 1.214 194 E HN 0.312 nan 8.360 nan 0.000 0.417 195 C N 6.659 125.956 119.300 -0.006 0.000 2.538 195 C HA 0.084 4.548 4.460 0.006 0.000 0.408 195 C C -0.871 174.070 174.990 -0.081 0.000 1.421 195 C CA -0.967 58.046 59.018 -0.008 0.000 1.642 195 C CB 0.007 27.787 27.740 0.066 0.000 2.553 195 C HN 0.554 nan 8.230 nan 0.000 0.604 196 P HA 0.022 nan 4.420 nan 0.000 0.241 196 P C 0.736 177.848 177.300 -0.314 0.000 1.191 196 P CA 1.111 63.999 63.100 -0.354 0.000 0.771 196 P CB -0.104 31.226 31.700 -0.617 0.000 0.929 197 F N 0.103 119.978 119.950 -0.125 0.000 2.797 197 F HA 0.112 4.643 4.527 0.006 0.000 0.302 197 F C 0.955 176.783 175.800 0.047 0.000 1.130 197 F CA -0.154 57.782 58.000 -0.108 0.000 1.387 197 F CB -0.455 38.326 39.000 -0.364 0.000 1.107 197 F HN -0.138 nan 8.300 nan 0.000 0.577 198 D N 1.553 122.066 120.400 0.189 0.000 2.358 198 D HA -0.012 4.632 4.640 0.006 0.000 0.258 198 D C 1.520 177.940 176.300 0.200 0.000 1.223 198 D CA -0.026 54.113 54.000 0.232 0.000 0.886 198 D CB 0.667 41.584 40.800 0.195 0.000 1.120 198 D HN 0.054 nan 8.370 nan 0.000 0.482 199 M N 2.829 122.580 119.600 0.251 0.000 2.562 199 M HA 0.164 4.648 4.480 0.006 0.000 0.257 199 M C 1.003 177.382 176.300 0.131 0.000 1.099 199 M CA 0.894 56.297 55.300 0.172 0.000 1.099 199 M CB -1.327 31.370 32.600 0.162 0.000 1.427 199 M HN 0.349 nan 8.290 nan 0.000 0.489 200 G N 1.234 110.167 108.800 0.223 0.000 2.581 200 G HA2 -0.122 3.841 3.960 0.006 0.000 0.291 200 G HA3 -0.122 3.841 3.960 0.006 0.000 0.291 200 G C 0.800 175.737 174.900 0.063 0.000 1.277 200 G CA 1.176 46.304 45.100 0.047 0.000 0.959 200 G HN 1.688 nan 8.290 nan 0.000 0.554 201 G N -3.159 105.514 108.800 -0.211 0.000 2.157 201 G HA2 0.096 4.059 3.960 0.006 0.000 0.248 201 G HA3 0.096 4.059 3.960 0.006 0.000 0.248 201 G C 0.315 175.096 174.900 -0.199 0.000 0.979 201 G CA 1.491 46.481 45.100 -0.183 0.000 0.650 201 G HN 2.315 nan 8.290 nan 0.000 0.529 202 Y N -1.256 118.870 120.300 -0.290 0.000 2.567 202 Y HA 0.837 5.391 4.550 0.006 0.000 0.333 202 Y C 0.264 175.907 175.900 -0.429 0.000 1.106 202 Y CA -2.357 55.575 58.100 -0.280 0.000 1.157 202 Y CB 0.865 39.281 38.460 -0.074 0.000 1.277 202 Y HN -0.040 nan 8.280 nan 0.000 0.490 203 F N 0.749 120.760 119.950 0.102 0.000 2.410 203 F HA 0.597 5.128 4.527 0.006 0.000 0.324 203 F C -0.576 175.316 175.800 0.154 0.000 1.093 203 F CA -0.857 57.173 58.000 0.052 0.000 1.028 203 F CB 1.032 40.068 39.000 0.060 0.000 1.309 203 F HN 0.238 nan 8.300 nan 0.000 0.499 204 I N 2.646 123.429 120.570 0.356 0.000 2.447 204 I HA 0.334 4.507 4.170 0.006 0.000 0.287 204 I C -1.097 175.161 176.117 0.235 0.000 1.023 204 I CA -0.199 61.260 61.300 0.264 0.000 1.083 204 I CB 1.509 39.627 38.000 0.196 0.000 1.245 204 I HN 0.203 nan 8.210 nan 0.000 0.434 205 I N 6.644 127.320 120.570 0.176 0.000 2.468 205 I HA 0.312 4.486 4.170 0.006 0.000 0.284 205 I C -0.001 176.168 176.117 0.087 0.000 1.038 205 I CA -0.473 60.901 61.300 0.122 0.000 1.083 205 I CB 1.345 39.402 38.000 0.096 0.000 1.223 205 I HN 0.623 nan 8.210 nan 0.000 0.443 206 N N 4.999 123.742 118.700 0.071 0.000 2.714 206 N HA -0.219 4.525 4.740 0.006 0.000 0.250 206 N C 1.101 176.637 175.510 0.044 0.000 1.117 206 N CA 1.284 54.358 53.050 0.040 0.000 0.719 206 N CB -0.847 37.659 38.487 0.032 0.000 1.081 206 N HN 1.146 nan 8.380 nan 0.000 0.557 207 G N -1.428 107.414 108.800 0.071 0.000 2.254 207 G HA2 -0.299 3.665 3.960 0.006 0.000 0.225 207 G HA3 -0.299 3.665 3.960 0.006 0.000 0.225 207 G C 0.043 174.999 174.900 0.094 0.000 1.003 207 G CA 0.619 45.768 45.100 0.082 0.000 0.622 207 G HN 1.294 nan 8.290 nan 0.000 0.507 208 S N 0.843 116.596 115.700 0.089 0.000 2.545 208 S HA 0.608 5.082 4.470 0.006 0.000 0.275 208 S C 0.085 174.757 174.600 0.119 0.000 1.299 208 S CA -0.055 58.195 58.200 0.083 0.000 1.048 208 S CB 1.700 64.935 63.200 0.058 0.000 0.938 208 S HN 0.471 nan 8.310 nan 0.000 0.496 209 E N 1.973 122.230 120.200 0.095 0.000 2.383 209 E HA 0.314 4.668 4.350 0.006 0.000 0.264 209 E C -0.331 176.357 176.600 0.147 0.000 1.050 209 E CA -0.197 56.288 56.400 0.141 0.000 0.896 209 E CB 0.501 30.171 29.700 -0.050 0.000 0.982 209 E HN 0.462 nan 8.360 nan 0.000 0.424 210 K N 1.308 121.864 120.400 0.260 0.000 2.550 210 K HA 0.363 4.687 4.320 0.006 0.000 0.252 210 K C -1.530 175.258 176.600 0.313 0.000 0.943 210 K CA -0.637 55.800 56.287 0.250 0.000 0.806 210 K CB 2.116 34.771 32.500 0.258 0.000 1.289 210 K HN 0.231 nan 8.250 nan 0.000 0.435 211 V N 3.597 123.649 119.914 0.230 0.000 2.448 211 V HA 0.425 4.549 4.120 0.006 0.000 0.295 211 V C 0.214 176.375 176.094 0.111 0.000 1.025 211 V CA -1.031 61.376 62.300 0.179 0.000 0.859 211 V CB 1.760 33.660 31.823 0.128 0.000 0.988 211 V HN 0.574 nan 8.190 nan 0.000 0.431 212 L N 5.305 126.595 121.223 0.112 0.000 2.360 212 L HA 0.340 4.683 4.340 0.006 0.000 0.276 212 L C -0.231 176.573 176.870 -0.110 0.000 1.121 212 L CA -0.202 54.619 54.840 -0.031 0.000 0.845 212 L CB 0.565 42.636 42.059 0.021 0.000 1.143 212 L HN 0.445 nan 8.230 nan 0.000 0.452 213 I N 3.921 124.383 120.570 -0.179 0.000 2.291 213 I HA 0.123 4.296 4.170 0.006 0.000 0.292 213 I C 0.898 176.909 176.117 -0.177 0.000 1.064 213 I CA -0.349 60.841 61.300 -0.183 0.000 1.269 213 I CB 0.989 38.882 38.000 -0.178 0.000 1.418 213 I HN 0.646 nan 8.210 nan 0.000 0.485 214 A N 8.178 130.915 122.820 -0.139 0.000 2.547 214 A HA -0.094 4.230 4.320 0.006 0.000 0.269 214 A C 0.626 178.147 177.584 -0.106 0.000 1.041 214 A CA 0.284 52.254 52.037 -0.111 0.000 0.855 214 A CB -0.482 18.468 19.000 -0.084 0.000 0.934 214 A HN 0.663 nan 8.150 nan 0.000 0.521 215 Q N 1.754 121.484 119.800 -0.117 0.000 2.256 215 Q HA 0.233 4.576 4.340 0.006 0.000 0.254 215 Q C -0.121 175.840 176.000 -0.066 0.000 0.916 215 Q CA -0.142 55.603 55.803 -0.097 0.000 0.932 215 Q CB 1.709 30.374 28.738 -0.121 0.000 1.207 215 Q HN 0.845 nan 8.270 nan 0.000 0.426 216 E N 3.106 123.282 120.200 -0.041 0.000 2.146 216 E HA 0.295 4.649 4.350 0.006 0.000 0.282 216 E C -0.757 175.827 176.600 -0.028 0.000 0.989 216 E CA -0.407 55.977 56.400 -0.026 0.000 0.799 216 E CB 0.732 30.450 29.700 0.029 0.000 1.088 216 E HN 0.476 nan 8.360 nan 0.000 0.397 217 R N 1.560 122.033 120.500 -0.046 0.000 2.808 217 R HA 0.439 4.783 4.340 0.006 0.000 0.272 217 R C -0.769 175.501 176.300 -0.049 0.000 0.995 217 R CA -0.916 55.162 56.100 -0.036 0.000 0.917 217 R CB 1.472 31.754 30.300 -0.030 0.000 1.217 217 R HN 0.276 nan 8.270 nan 0.000 0.471 218 S N 0.813 116.496 115.700 -0.028 0.000 2.533 218 S HA 0.366 4.840 4.470 0.006 0.000 0.282 218 S C 0.228 174.805 174.600 -0.037 0.000 1.304 218 S CA -0.072 58.112 58.200 -0.026 0.000 1.063 218 S CB 0.166 63.369 63.200 0.005 0.000 0.881 218 S HN 0.691 nan 8.310 nan 0.000 0.493 219 A N 4.109 126.892 122.820 -0.061 0.000 2.366 219 A HA 0.636 4.960 4.320 0.006 0.000 0.249 219 A C 0.802 178.364 177.584 -0.037 0.000 1.084 219 A CA -0.029 51.966 52.037 -0.070 0.000 0.794 219 A CB -0.115 18.811 19.000 -0.123 0.000 1.034 219 A HN 1.026 nan 8.150 nan 0.000 0.491 220 G N -0.707 108.071 108.800 -0.036 0.000 2.477 220 G HA2 0.440 4.404 3.960 0.006 0.000 0.304 220 G HA3 0.440 4.404 3.960 0.006 0.000 0.304 220 G C -0.122 174.750 174.900 -0.046 0.000 1.175 220 G CA -0.341 44.738 45.100 -0.035 0.000 0.907 220 G HN 0.949 nan 8.290 nan 0.000 0.509 221 N N -1.643 116.991 118.700 -0.110 0.000 2.740 221 N HA -0.182 4.561 4.740 0.006 0.000 0.248 221 N C -0.175 175.340 175.510 0.009 0.000 1.062 221 N CA 1.502 54.427 53.050 -0.209 0.000 0.704 221 N CB -1.618 36.654 38.487 -0.358 0.000 0.968 221 N HN 0.852 nan 8.380 nan 0.000 0.547 222 I N -5.086 115.516 120.570 0.053 0.000 2.689 222 I HA 0.711 4.884 4.170 0.006 0.000 0.299 222 I C -0.165 176.006 176.117 0.090 0.000 1.059 222 I CA -1.323 60.032 61.300 0.091 0.000 1.055 222 I CB 2.307 40.335 38.000 0.047 0.000 1.243 222 I HN -0.203 nan 8.210 nan 0.000 0.425 223 V N 4.654 124.615 119.914 0.079 0.000 2.347 223 V HA 0.460 4.584 4.120 0.006 0.000 0.280 223 V C -0.525 175.512 176.094 -0.096 0.000 1.021 223 V CA 0.062 62.386 62.300 0.040 0.000 0.847 223 V CB 1.426 33.306 31.823 0.095 0.000 0.990 223 V HN 0.868 nan 8.190 nan 0.000 0.444 224 Q N 4.618 124.310 119.800 -0.179 0.000 2.337 224 Q HA 0.616 4.960 4.340 0.006 0.000 0.270 224 Q C -1.282 174.321 176.000 -0.662 0.000 1.043 224 Q CA -0.696 54.846 55.803 -0.436 0.000 0.794 224 Q CB 2.729 31.189 28.738 -0.462 0.000 1.281 224 Q HN 0.644 nan 8.270 nan 0.000 0.446 225 V N 1.706 121.213 119.914 -0.678 0.000 2.532 225 V HA 0.575 4.699 4.120 0.006 0.000 0.295 225 V C -0.608 175.076 176.094 -0.684 0.000 1.041 225 V CA -0.583 61.416 62.300 -0.501 0.000 0.926 225 V CB 0.802 32.494 31.823 -0.219 0.000 0.992 225 V HN 0.628 nan 8.190 nan 0.000 0.457 226 F N 1.761 121.729 119.950 0.029 0.000 2.659 226 F HA 0.421 4.951 4.527 0.006 0.000 0.342 226 F C 0.428 176.184 175.800 -0.073 0.000 1.168 226 F CA -0.951 57.042 58.000 -0.011 0.000 1.003 226 F CB 1.718 40.708 39.000 -0.017 0.000 1.267 226 F HN 0.357 nan 8.300 nan 0.000 0.463 227 K N 4.319 124.749 120.400 0.049 0.000 2.436 227 K HA 0.120 4.444 4.320 0.006 0.000 0.282 227 K C -0.250 176.267 176.600 -0.140 0.000 1.044 227 K CA 0.178 56.313 56.287 -0.254 0.000 1.028 227 K CB 0.670 33.047 32.500 -0.205 0.000 0.919 227 K HN 0.531 nan 8.250 nan 0.000 0.474 228 K N 1.939 122.227 120.400 -0.187 0.000 2.156 228 K HA 0.273 4.597 4.320 0.006 0.000 0.271 228 K C -0.051 176.488 176.600 -0.102 0.000 0.995 228 K CA -0.550 55.674 56.287 -0.105 0.000 0.890 228 K CB 1.692 34.144 32.500 -0.079 0.000 1.073 228 K HN 0.631 nan 8.250 nan 0.000 0.454 229 A N 1.881 124.658 122.820 -0.073 0.000 2.475 229 A HA 0.172 4.496 4.320 0.006 0.000 0.239 229 A C 1.320 178.875 177.584 -0.048 0.000 1.087 229 A CA 0.748 52.751 52.037 -0.056 0.000 0.779 229 A CB 0.111 19.084 19.000 -0.046 0.000 1.036 229 A HN 0.926 nan 8.150 nan 0.000 0.506 230 A N 0.964 123.763 122.820 -0.035 0.000 1.972 230 A HA 0.037 4.361 4.320 0.006 0.000 0.219 230 A C -0.713 176.859 177.584 -0.021 0.000 1.169 230 A CA 1.662 53.685 52.037 -0.024 0.000 0.635 230 A CB -1.554 17.437 19.000 -0.015 0.000 0.810 230 A HN 0.640 nan 8.150 nan 0.000 0.446 231 P HA 0.158 nan 4.420 nan 0.000 0.246 231 P C -0.450 176.836 177.300 -0.023 0.000 1.686 231 P CA 0.458 63.548 63.100 -0.017 0.000 0.867 231 P CB -0.382 31.309 31.700 -0.015 0.000 1.733 232 S N -1.305 114.377 115.700 -0.031 0.000 2.541 232 S HA 0.598 5.072 4.470 0.006 0.000 0.271 232 S C -2.498 172.072 174.600 -0.051 0.000 1.133 232 S CA -1.400 56.773 58.200 -0.045 0.000 0.876 232 S CB 2.038 65.202 63.200 -0.060 0.000 1.105 232 S HN -0.253 nan 8.310 nan 0.000 0.470 233 P HA 0.150 nan 4.420 nan 0.000 0.222 233 P C 0.520 177.745 177.300 -0.125 0.000 1.153 233 P CA 0.281 63.344 63.100 -0.062 0.000 0.798 233 P CB -0.171 31.505 31.700 -0.040 0.000 0.796 234 I N -1.150 119.280 120.570 -0.233 0.000 2.396 234 I HA 0.221 4.394 4.170 0.006 0.000 0.289 234 I C 1.111 177.181 176.117 -0.078 0.000 1.056 234 I CA 0.072 61.235 61.300 -0.227 0.000 1.365 234 I CB 1.138 38.940 38.000 -0.329 0.000 1.407 234 I HN -0.124 nan 8.210 nan 0.000 0.509 235 S N 4.808 120.520 115.700 0.020 0.000 2.404 235 S HA 0.051 4.525 4.470 0.006 0.000 0.223 235 S C 0.436 174.989 174.600 -0.077 0.000 1.040 235 S CA 0.388 58.611 58.200 0.039 0.000 0.957 235 S CB -0.259 63.075 63.200 0.225 0.000 0.826 235 S HN 0.845 nan 8.310 nan 0.000 0.491 236 H N -0.969 118.103 119.070 0.005 0.000 2.865 236 H HA 0.817 5.377 4.556 0.006 0.000 0.372 236 H C -1.356 173.989 175.328 0.028 0.000 1.173 236 H CA -0.634 55.426 56.048 0.021 0.000 1.147 236 H CB 2.034 31.801 29.762 0.008 0.000 1.805 236 H HN 0.107 nan 8.280 nan 0.000 0.553 237 V N 0.810 120.822 119.914 0.163 0.000 2.760 237 V HA 0.721 4.845 4.120 0.006 0.000 0.309 237 V C -0.749 175.390 176.094 0.074 0.000 1.077 237 V CA -0.812 61.562 62.300 0.124 0.000 0.910 237 V CB 1.963 33.866 31.823 0.133 0.000 1.008 237 V HN 0.967 nan 8.190 nan 0.000 0.424 238 A N 3.526 126.375 122.820 0.049 0.000 2.287 238 A HA 0.801 5.125 4.320 0.006 0.000 0.317 238 A C -0.488 177.114 177.584 0.031 0.000 1.220 238 A CA -0.452 51.573 52.037 -0.019 0.000 0.835 238 A CB 0.904 19.887 19.000 -0.029 0.000 1.180 238 A HN 0.783 nan 8.150 nan 0.000 0.500 239 E N 1.834 122.037 120.200 0.005 0.000 2.238 239 E HA 0.647 5.001 4.350 0.006 0.000 0.267 239 E C -1.791 174.859 176.600 0.084 0.000 0.887 239 E CA -0.529 55.924 56.400 0.088 0.000 0.769 239 E CB 1.930 31.738 29.700 0.180 0.000 1.187 239 E HN 0.666 nan 8.360 nan 0.000 0.416 240 I N 3.433 124.076 120.570 0.121 0.000 2.534 240 I HA 0.294 4.467 4.170 0.006 0.000 0.286 240 I C -0.998 175.184 176.117 0.110 0.000 1.094 240 I CA -0.575 60.804 61.300 0.132 0.000 1.055 240 I CB 0.965 39.094 38.000 0.217 0.000 1.225 240 I HN 0.418 nan 8.210 nan 0.000 0.435 241 R N 5.251 125.798 120.500 0.078 0.000 2.272 241 R HA 0.263 4.607 4.340 0.006 0.000 0.334 241 R C -0.204 176.105 176.300 0.016 0.000 1.117 241 R CA -0.205 55.929 56.100 0.057 0.000 0.966 241 R CB 0.462 30.791 30.300 0.048 0.000 1.049 241 R HN 0.623 nan 8.270 nan 0.000 0.477 242 S N 1.220 116.941 115.700 0.034 0.000 2.480 242 S HA 0.746 5.219 4.470 0.006 0.000 0.286 242 S C -0.241 174.371 174.600 0.021 0.000 1.180 242 S CA -0.877 57.320 58.200 -0.004 0.000 1.075 242 S CB 2.128 65.410 63.200 0.136 0.000 0.996 242 S HN 0.616 nan 8.310 nan 0.000 0.487 243 A N 2.532 125.336 122.820 -0.026 0.000 2.574 243 A HA 0.647 4.971 4.320 0.006 0.000 0.297 243 A C -1.194 176.381 177.584 -0.016 0.000 1.062 243 A CA -0.935 51.098 52.037 -0.007 0.000 0.686 243 A CB 0.792 19.784 19.000 -0.012 0.000 1.285 243 A HN 0.701 nan 8.150 nan 0.000 0.403 244 L N 1.670 122.883 121.223 -0.016 0.000 2.313 244 L HA 0.320 4.663 4.340 0.006 0.000 0.282 244 L C 1.480 178.339 176.870 -0.019 0.000 1.092 244 L CA 0.319 55.150 54.840 -0.015 0.000 0.831 244 L CB 0.692 42.733 42.059 -0.029 0.000 1.159 244 L HN 0.951 nan 8.230 nan 0.000 0.442 245 E N 2.467 122.663 120.200 -0.005 0.000 2.478 245 E HA 0.013 4.367 4.350 0.006 0.000 0.194 245 E C -0.116 176.488 176.600 0.007 0.000 1.045 245 E CA 0.294 56.696 56.400 0.002 0.000 0.868 245 E CB 0.441 30.148 29.700 0.011 0.000 0.885 245 E HN 0.471 nan 8.360 nan 0.000 0.505 246 K N 0.654 121.056 120.400 0.004 0.000 2.478 246 K HA 0.361 4.684 4.320 0.006 0.000 0.236 246 K C -0.317 176.284 176.600 0.003 0.000 1.021 246 K CA -0.002 56.291 56.287 0.009 0.000 1.010 246 K CB 1.481 33.989 32.500 0.012 0.000 1.331 246 K HN 0.227 nan 8.250 nan 0.000 0.470 247 G N 1.513 110.316 108.800 0.005 0.000 2.814 247 G HA2 -0.189 3.774 3.960 0.006 0.000 0.677 247 G HA3 -0.189 3.774 3.960 0.006 0.000 0.677 247 G C -0.152 174.718 174.900 -0.049 0.000 1.429 247 G CA -0.373 44.726 45.100 -0.001 0.000 0.868 247 G HN 0.722 nan 8.290 nan 0.000 0.553 248 S N -1.054 114.601 115.700 -0.075 0.000 3.513 248 S HA -0.077 4.396 4.470 0.006 0.000 0.636 248 S C 0.314 174.764 174.600 -0.250 0.000 2.452 248 S CA 2.213 60.287 58.200 -0.211 0.000 2.644 248 S CB -0.673 62.356 63.200 -0.285 0.000 0.331 248 S HN 2.295 nan 8.310 nan 0.000 1.787 249 R N 0.073 120.274 120.500 -0.499 0.000 3.076 249 R HA 0.220 4.563 4.340 0.006 0.000 0.293 249 R C -1.945 174.125 176.300 -0.383 0.000 0.724 249 R CA 0.409 56.300 56.100 -0.348 0.000 0.919 249 R CB -0.734 29.496 30.300 -0.117 0.000 1.493 249 R HN 0.529 nan 8.270 nan 0.000 0.391 250 F N 2.428 122.414 119.950 0.060 0.000 2.612 250 F HA 0.544 5.074 4.527 0.006 0.000 0.332 250 F C 0.351 176.188 175.800 0.061 0.000 1.167 250 F CA -1.406 56.630 58.000 0.060 0.000 0.970 250 F CB 0.824 39.864 39.000 0.067 0.000 1.234 250 F HN -0.052 nan 8.300 nan 0.000 0.453 251 I N 2.425 123.113 120.570 0.196 0.000 2.664 251 I HA 0.007 4.180 4.170 0.006 0.000 0.284 251 I C 0.578 176.783 176.117 0.148 0.000 1.154 251 I CA 0.614 61.993 61.300 0.132 0.000 1.402 251 I CB 0.659 38.713 38.000 0.090 0.000 1.395 251 I HN 0.750 nan 8.210 nan 0.000 0.545 252 S N 6.015 121.802 115.700 0.145 0.000 2.448 252 S HA 0.449 4.923 4.470 0.006 0.000 0.320 252 S C 0.116 174.785 174.600 0.115 0.000 1.071 252 S CA -0.644 57.641 58.200 0.141 0.000 1.113 252 S CB 0.314 63.618 63.200 0.174 0.000 0.972 252 S HN 0.695 nan 8.310 nan 0.000 0.465 253 T N 3.995 118.611 114.554 0.103 0.000 2.744 253 T HA 0.572 4.926 4.350 0.006 0.000 0.291 253 T C -0.305 174.463 174.700 0.113 0.000 0.957 253 T CA -0.766 61.394 62.100 0.101 0.000 1.002 253 T CB 0.933 69.854 68.868 0.088 0.000 0.919 253 T HN 0.513 nan 8.240 nan 0.000 0.468 254 L N 2.689 123.987 121.223 0.125 0.000 2.325 254 L HA 0.530 4.874 4.340 0.006 0.000 0.279 254 L C -0.351 176.603 176.870 0.140 0.000 1.054 254 L CA -0.232 54.694 54.840 0.142 0.000 0.804 254 L CB 1.603 43.748 42.059 0.143 0.000 1.200 254 L HN 0.749 nan 8.230 nan 0.000 0.436 255 Q N 3.366 123.253 119.800 0.145 0.000 2.292 255 Q HA 0.481 4.825 4.340 0.006 0.000 0.270 255 Q C -1.549 174.538 176.000 0.145 0.000 1.024 255 Q CA -0.742 55.142 55.803 0.135 0.000 0.768 255 Q CB 2.608 31.421 28.738 0.125 0.000 1.250 255 Q HN 0.453 nan 8.270 nan 0.000 0.447 256 V N 3.589 123.581 119.914 0.130 0.000 2.318 256 V HA 0.289 4.412 4.120 0.006 0.000 0.271 256 V C -0.287 175.886 176.094 0.132 0.000 1.030 256 V CA -0.540 61.840 62.300 0.133 0.000 0.844 256 V CB 0.701 32.589 31.823 0.109 0.000 1.015 256 V HN 0.575 nan 8.190 nan 0.000 0.460 257 K N 4.067 124.570 120.400 0.171 0.000 2.156 257 K HA 0.549 4.872 4.320 0.006 0.000 0.271 257 K C -0.737 175.997 176.600 0.223 0.000 0.995 257 K CA -0.859 55.533 56.287 0.175 0.000 0.890 257 K CB 2.000 34.619 32.500 0.198 0.000 1.073 257 K HN 0.429 nan 8.250 nan 0.000 0.454 258 L N 4.674 126.000 121.223 0.172 0.000 2.321 258 L HA 0.277 4.621 4.340 0.006 0.000 0.272 258 L C -1.224 175.768 176.870 0.203 0.000 1.050 258 L CA -0.372 54.580 54.840 0.186 0.000 0.893 258 L CB -0.362 41.768 42.059 0.118 0.000 1.272 258 L HN 0.408 nan 8.230 nan 0.000 0.435 259 Y N 3.261 123.602 120.300 0.069 0.000 2.511 259 Y HA 0.466 5.020 4.550 0.006 0.000 0.347 259 Y C 1.333 177.269 175.900 0.059 0.000 1.257 259 Y CA 0.650 58.788 58.100 0.063 0.000 1.469 259 Y CB 0.570 39.065 38.460 0.057 0.000 1.353 259 Y HN 0.826 nan 8.280 nan 0.000 0.617 260 G N 2.577 111.487 108.800 0.184 0.000 3.295 260 G HA2 -0.171 3.793 3.960 0.006 0.000 0.686 260 G HA3 -0.171 3.793 3.960 0.006 0.000 0.686 260 G C -0.585 174.370 174.900 0.091 0.000 0.958 260 G CA -1.016 44.158 45.100 0.124 0.000 0.787 260 G HN 0.594 nan 8.290 nan 0.000 0.523 261 R N 1.230 121.771 120.500 0.068 0.000 2.637 261 R HA 0.288 4.631 4.340 0.006 0.000 0.269 261 R C 0.580 176.917 176.300 0.062 0.000 1.089 261 R CA -0.737 55.400 56.100 0.061 0.000 1.177 261 R CB 0.664 30.987 30.300 0.038 0.000 1.091 261 R HN 0.602 nan 8.270 nan 0.000 0.540 262 E N 1.167 121.406 120.200 0.066 0.000 2.059 262 E HA 0.004 4.358 4.350 0.006 0.000 0.262 262 E C 0.365 176.989 176.600 0.040 0.000 1.230 262 E CA 0.655 57.088 56.400 0.055 0.000 0.951 262 E CB 0.026 29.763 29.700 0.062 0.000 1.038 262 E HN 0.863 nan 8.360 nan 0.000 0.425 263 G N 3.098 111.920 108.800 0.037 0.000 2.551 263 G HA2 -0.209 3.755 3.960 0.006 0.000 0.186 263 G HA3 -0.209 3.755 3.960 0.006 0.000 0.186 263 G C 0.434 175.355 174.900 0.034 0.000 1.002 263 G CA 0.040 45.159 45.100 0.032 0.000 0.723 263 G HN 0.514 nan 8.290 nan 0.000 0.481 264 S N 1.307 117.031 115.700 0.040 0.000 2.562 264 S HA 0.493 4.966 4.470 0.006 0.000 0.281 264 S C 1.051 175.676 174.600 0.042 0.000 1.333 264 S CA 0.621 58.848 58.200 0.044 0.000 1.052 264 S CB 0.578 63.812 63.200 0.057 0.000 0.884 264 S HN 1.428 nan 8.310 nan 0.000 0.506 265 S N 3.624 119.347 115.700 0.039 0.000 2.430 265 S HA 0.563 5.037 4.470 0.006 0.000 0.282 265 S C 0.162 174.785 174.600 0.038 0.000 1.186 265 S CA -0.203 58.018 58.200 0.035 0.000 1.060 265 S CB 0.014 63.232 63.200 0.030 0.000 0.966 265 S HN 1.819 nan 8.310 nan 0.000 0.501 266 A N 3.012 125.853 122.820 0.036 0.000 1.614 266 A HA -0.122 4.202 4.320 0.006 0.000 0.247 266 A C 0.149 177.762 177.584 0.048 0.000 1.191 266 A CA -0.143 51.916 52.037 0.036 0.000 0.602 266 A CB -1.364 17.654 19.000 0.031 0.000 1.425 266 A HN 0.908 nan 8.150 nan 0.000 0.217 267 R N 1.663 122.192 120.500 0.049 0.000 2.202 267 R HA 0.444 4.787 4.340 0.006 0.000 0.334 267 R C 0.651 176.990 176.300 0.066 0.000 1.036 267 R CA 0.358 56.500 56.100 0.070 0.000 0.878 267 R CB 1.311 31.648 30.300 0.062 0.000 1.067 267 R HN 0.829 nan 8.270 nan 0.000 0.457 268 T N 2.900 117.502 114.554 0.079 0.000 2.904 268 T HA 0.411 4.765 4.350 0.006 0.000 0.290 268 T C 0.157 174.914 174.700 0.095 0.000 1.018 268 T CA -0.401 61.731 62.100 0.053 0.000 1.075 268 T CB 0.476 69.341 68.868 -0.006 0.000 0.986 268 T HN 0.402 nan 8.240 nan 0.000 0.523 269 I N 4.270 124.887 120.570 0.079 0.000 2.420 269 I HA 0.395 4.569 4.170 0.006 0.000 0.282 269 I C 0.304 176.488 176.117 0.111 0.000 1.019 269 I CA -0.692 60.681 61.300 0.121 0.000 1.130 269 I CB 1.352 39.414 38.000 0.104 0.000 1.262 269 I HN 0.522 nan 8.210 nan 0.000 0.454 270 K N 4.298 124.781 120.400 0.137 0.000 2.211 270 K HA 0.928 5.252 4.320 0.006 0.000 0.237 270 K C -0.637 176.069 176.600 0.176 0.000 1.002 270 K CA -0.931 55.421 56.287 0.108 0.000 0.885 270 K CB 2.327 34.816 32.500 -0.019 0.000 1.136 270 K HN 0.579 nan 8.250 nan 0.000 0.448 271 A N 0.663 123.576 122.820 0.155 0.000 2.449 271 A HA 0.456 4.780 4.320 0.006 0.000 0.302 271 A C -0.990 176.686 177.584 0.153 0.000 1.048 271 A CA -0.701 51.435 52.037 0.165 0.000 0.708 271 A CB 1.493 20.590 19.000 0.162 0.000 1.274 271 A HN 0.534 nan 8.150 nan 0.000 0.410 272 T N 2.684 117.333 114.554 0.159 0.000 2.743 272 T HA 0.517 4.871 4.350 0.006 0.000 0.293 272 T C -0.252 174.538 174.700 0.149 0.000 0.945 272 T CA 0.235 62.418 62.100 0.138 0.000 1.030 272 T CB -0.079 68.864 68.868 0.125 0.000 0.912 272 T HN 0.421 nan 8.240 nan 0.000 0.483 273 L N 5.599 126.898 121.223 0.127 0.000 2.329 273 L HA 0.458 4.801 4.340 0.006 0.000 0.279 273 L C -2.211 174.735 176.870 0.127 0.000 1.014 273 L CA -2.612 52.317 54.840 0.148 0.000 0.814 273 L CB 1.934 44.058 42.059 0.108 0.000 1.257 273 L HN 0.359 nan 8.230 nan 0.000 0.424 274 P HA 0.111 nan 4.420 nan 0.000 0.271 274 P C -0.883 176.559 177.300 0.236 0.000 1.216 274 P CA 0.166 63.356 63.100 0.149 0.000 0.771 274 P CB 0.159 31.986 31.700 0.211 0.000 0.864 275 Y N -0.396 119.934 120.300 0.048 0.000 4.490 275 Y HA -0.211 4.343 4.550 0.006 0.000 0.233 275 Y C 0.223 176.146 175.900 0.040 0.000 1.101 275 Y CA 0.437 58.571 58.100 0.057 0.000 2.010 275 Y CB -2.104 36.393 38.460 0.061 0.000 1.622 275 Y HN 0.334 nan 8.280 nan 0.000 0.675 276 I N -0.371 120.271 120.570 0.119 0.000 2.466 276 I HA 0.175 4.348 4.170 0.006 0.000 0.289 276 I C 1.058 177.200 176.117 0.042 0.000 1.026 276 I CA -0.816 60.524 61.300 0.067 0.000 1.078 276 I CB 1.850 39.862 38.000 0.020 0.000 1.249 276 I HN -0.027 nan 8.210 nan 0.000 0.429 277 K N 3.733 124.152 120.400 0.031 0.000 1.968 277 K HA -0.117 4.206 4.320 0.006 0.000 0.222 277 K C 0.890 177.496 176.600 0.011 0.000 1.043 277 K CA 1.601 57.898 56.287 0.017 0.000 0.991 277 K CB 0.029 32.533 32.500 0.007 0.000 0.744 277 K HN 0.559 nan 8.250 nan 0.000 0.445 278 Q N 0.464 120.255 119.800 -0.014 0.000 2.414 278 Q HA 0.011 4.354 4.340 0.006 0.000 0.206 278 Q C -1.013 174.997 176.000 0.016 0.000 1.058 278 Q CA -0.305 55.497 55.803 -0.002 0.000 1.025 278 Q CB 0.813 29.530 28.738 -0.036 0.000 1.196 278 Q HN 0.202 nan 8.270 nan 0.000 0.586 279 D N 0.811 121.239 120.400 0.048 0.000 2.210 279 D HA 0.266 4.910 4.640 0.006 0.000 0.249 279 D C -0.671 175.664 176.300 0.057 0.000 1.078 279 D CA -0.170 53.875 54.000 0.075 0.000 0.875 279 D CB 0.809 41.694 40.800 0.142 0.000 1.175 279 D HN 0.273 nan 8.370 nan 0.000 0.440 280 I N 3.706 124.326 120.570 0.083 0.000 2.321 280 I HA 0.246 4.419 4.170 0.006 0.000 0.291 280 I C -2.125 174.075 176.117 0.137 0.000 0.998 280 I CA -2.925 58.459 61.300 0.140 0.000 1.227 280 I CB 0.777 38.848 38.000 0.118 0.000 1.368 280 I HN -0.041 nan 8.210 nan 0.000 0.466 281 P HA 0.074 nan 4.420 nan 0.000 0.265 281 P C 1.209 178.578 177.300 0.115 0.000 1.187 281 P CA 0.143 63.299 63.100 0.093 0.000 0.766 281 P CB 0.574 32.308 31.700 0.056 0.000 0.820 282 I N 1.208 121.857 120.570 0.132 0.000 3.059 282 I HA -0.092 4.082 4.170 0.006 0.000 0.270 282 I C 1.447 177.733 176.117 0.280 0.000 1.238 282 I CA 0.544 61.958 61.300 0.190 0.000 1.478 282 I CB -0.621 37.518 38.000 0.232 0.000 1.097 282 I HN 0.072 nan 8.210 nan 0.000 0.455 283 V N -0.931 119.098 119.914 0.191 0.000 2.809 283 V HA -0.088 4.035 4.120 0.006 0.000 0.256 283 V C 2.331 178.513 176.094 0.146 0.000 1.080 283 V CA 0.964 63.364 62.300 0.167 0.000 1.102 283 V CB -0.928 30.934 31.823 0.066 0.000 0.705 283 V HN 0.373 nan 8.190 nan 0.000 0.475 284 I N 0.584 121.216 120.570 0.104 0.000 2.277 284 I HA -0.070 4.103 4.170 0.006 0.000 0.243 284 I C 2.649 178.818 176.117 0.087 0.000 1.094 284 I CA 1.374 62.715 61.300 0.068 0.000 1.393 284 I CB -0.977 37.059 38.000 0.061 0.000 1.078 284 I HN 0.265 nan 8.210 nan 0.000 0.417 285 I N 0.351 120.962 120.570 0.068 0.000 2.151 285 I HA -0.343 3.831 4.170 0.006 0.000 0.243 285 I C 2.609 178.704 176.117 -0.038 0.000 1.080 285 I CA 1.881 63.143 61.300 -0.064 0.000 1.339 285 I CB -0.703 37.197 38.000 -0.167 0.000 1.039 285 I HN 0.066 nan 8.210 nan 0.000 0.409 286 F N 0.809 120.767 119.950 0.015 0.000 2.365 286 F HA -0.110 4.420 4.527 0.006 0.000 0.300 286 F C 2.692 178.512 175.800 0.032 0.000 1.090 286 F CA 0.886 58.913 58.000 0.046 0.000 1.408 286 F CB -0.078 38.958 39.000 0.061 0.000 1.060 286 F HN -0.046 nan 8.300 nan 0.000 0.534 287 R N -0.562 120.059 120.500 0.201 0.000 2.112 287 R HA 0.128 4.471 4.340 0.006 0.000 0.216 287 R C 2.237 178.580 176.300 0.071 0.000 1.080 287 R CA 0.939 57.108 56.100 0.115 0.000 0.996 287 R CB -0.669 29.674 30.300 0.071 0.000 0.902 287 R HN 0.173 nan 8.270 nan 0.000 0.449 288 A N 0.847 123.691 122.820 0.041 0.000 2.216 288 A HA -0.012 4.312 4.320 0.006 0.000 0.214 288 A C 1.864 179.442 177.584 -0.010 0.000 1.160 288 A CA 0.813 52.852 52.037 0.004 0.000 0.725 288 A CB -0.259 18.725 19.000 -0.027 0.000 0.784 288 A HN 0.159 nan 8.150 nan 0.000 0.472 289 L N -2.466 118.766 121.223 0.015 0.000 2.616 289 L HA 0.274 4.617 4.340 0.006 0.000 0.229 289 L C 1.711 178.634 176.870 0.088 0.000 1.110 289 L CA 0.661 55.520 54.840 0.032 0.000 0.884 289 L CB 0.362 42.431 42.059 0.016 0.000 1.115 289 L HN 0.555 nan 8.230 nan 0.000 0.481 290 G N 0.239 109.096 108.800 0.096 0.000 2.796 290 G HA2 -0.195 3.769 3.960 0.006 0.000 0.198 290 G HA3 -0.195 3.769 3.960 0.006 0.000 0.198 290 G C 0.040 175.010 174.900 0.116 0.000 1.062 290 G CA -0.614 44.544 45.100 0.098 0.000 0.752 290 G HN 0.037 nan 8.290 nan 0.000 0.487 291 I N 3.425 124.099 120.570 0.173 0.000 2.421 291 I HA 0.319 4.493 4.170 0.006 0.000 0.291 291 I C 1.441 177.612 176.117 0.091 0.000 1.089 291 I CA -0.163 61.229 61.300 0.154 0.000 1.354 291 I CB 0.899 39.043 38.000 0.241 0.000 1.413 291 I HN 0.138 nan 8.210 nan 0.000 0.513 292 I N 6.753 127.348 120.570 0.041 0.000 2.729 292 I HA 0.157 4.331 4.170 0.006 0.000 0.256 292 I C -1.642 174.469 176.117 -0.010 0.000 1.115 292 I CA 0.109 61.422 61.300 0.022 0.000 1.446 292 I CB -1.567 36.445 38.000 0.020 0.000 1.176 292 I HN 0.316 nan 8.210 nan 0.000 0.446 293 P HA 0.133 nan 4.420 nan 0.000 0.281 293 P C -0.889 176.357 177.300 -0.090 0.000 1.252 293 P CA -0.303 62.766 63.100 -0.052 0.000 0.778 293 P CB 0.184 31.851 31.700 -0.055 0.000 0.895 294 D N 2.691 123.045 120.400 -0.077 0.000 2.520 294 D HA 0.216 4.860 4.640 0.006 0.000 0.243 294 D C 1.671 177.895 176.300 -0.127 0.000 1.160 294 D CA 1.765 55.705 54.000 -0.100 0.000 0.877 294 D CB -0.206 40.549 40.800 -0.075 0.000 1.150 294 D HN 0.707 nan 8.370 nan 0.000 0.494 295 G N 2.854 111.551 108.800 -0.172 0.000 2.339 295 G HA2 -0.292 3.671 3.960 0.006 0.000 0.209 295 G HA3 -0.292 3.671 3.960 0.006 0.000 0.209 295 G C 0.973 175.739 174.900 -0.223 0.000 1.015 295 G CA 0.174 45.169 45.100 -0.174 0.000 0.635 295 G HN 0.518 nan 8.290 nan 0.000 0.499 296 E N 0.095 120.153 120.200 -0.237 0.000 2.230 296 E HA 0.107 4.461 4.350 0.006 0.000 0.192 296 E C 2.413 178.695 176.600 -0.529 0.000 0.987 296 E CA 0.570 56.773 56.400 -0.328 0.000 0.841 296 E CB -0.059 29.514 29.700 -0.211 0.000 0.783 296 E HN 0.506 nan 8.360 nan 0.000 0.481 297 I N 1.201 121.515 120.570 -0.426 0.000 2.163 297 I HA -0.260 3.913 4.170 0.006 0.000 0.240 297 I C 2.360 178.107 176.117 -0.617 0.000 1.081 297 I CA 1.107 62.045 61.300 -0.603 0.000 1.353 297 I CB -1.064 36.662 38.000 -0.457 0.000 1.054 297 I HN 0.222 nan 8.210 nan 0.000 0.407 298 L N 0.227 121.213 121.223 -0.395 0.000 2.353 298 L HA -0.150 4.194 4.340 0.006 0.000 0.220 298 L C 2.406 179.110 176.870 -0.277 0.000 1.133 298 L CA 0.868 55.529 54.840 -0.298 0.000 0.798 298 L CB -0.638 41.302 42.059 -0.199 0.000 0.922 298 L HN 0.285 nan 8.230 nan 0.000 0.445 299 E N -0.324 119.678 120.200 -0.330 0.000 2.152 299 E HA -0.145 4.208 4.350 0.006 0.000 0.192 299 E C 1.828 178.373 176.600 -0.092 0.000 0.983 299 E CA 0.926 57.201 56.400 -0.208 0.000 0.818 299 E CB -0.035 29.531 29.700 -0.224 0.000 0.758 299 E HN 0.591 nan 8.360 nan 0.000 0.467 300 H N -0.712 118.230 119.070 -0.213 0.000 2.547 300 H HA 0.159 4.719 4.556 0.006 0.000 0.266 300 H C 1.812 177.144 175.328 0.008 0.000 0.988 300 H CA 0.264 56.220 56.048 -0.153 0.000 1.147 300 H CB 0.277 29.849 29.762 -0.318 0.000 1.365 300 H HN 0.182 nan 8.280 nan 0.000 0.589 301 I N -1.176 119.314 120.570 -0.133 0.000 2.900 301 I HA -0.010 4.163 4.170 0.006 0.000 0.251 301 I C 0.683 176.411 176.117 -0.648 0.000 1.102 301 I CA 0.355 61.514 61.300 -0.235 0.000 1.457 301 I CB 0.624 38.531 38.000 -0.156 0.000 1.285 301 I HN 0.049 nan 8.210 nan 0.000 0.459 302 C N 1.581 120.596 119.300 -0.474 0.000 2.176 302 C HA 0.306 4.769 4.460 0.006 0.000 0.329 302 C C 0.922 175.772 174.990 -0.233 0.000 1.113 302 C CA -0.501 58.290 59.018 -0.377 0.000 1.562 302 C CB -1.459 26.166 27.740 -0.192 0.000 2.040 302 C HN 0.408 nan 8.230 nan 0.000 0.460 303 Y N 1.870 122.252 120.300 0.135 0.000 2.477 303 Y HA 0.201 4.755 4.550 0.006 0.000 0.303 303 Y C 0.875 176.854 175.900 0.132 0.000 1.202 303 Y CA -0.127 58.079 58.100 0.177 0.000 1.282 303 Y CB -0.063 38.556 38.460 0.265 0.000 1.071 303 Y HN 0.609 nan 8.280 nan 0.000 0.510 304 D N -1.366 119.130 120.400 0.160 0.000 2.964 304 D HA 0.214 4.857 4.640 0.006 0.000 0.234 304 D C 0.454 176.801 176.300 0.078 0.000 1.223 304 D CA -0.403 53.673 54.000 0.125 0.000 0.889 304 D CB 2.088 42.955 40.800 0.111 0.000 1.609 304 D HN -0.123 nan 8.370 nan 0.000 0.523 305 V N 3.163 123.127 119.914 0.083 0.000 2.667 305 V HA -0.079 4.045 4.120 0.006 0.000 0.252 305 V C 1.720 177.859 176.094 0.075 0.000 1.065 305 V CA 1.045 63.382 62.300 0.060 0.000 1.083 305 V CB -0.471 31.384 31.823 0.052 0.000 0.692 305 V HN 0.573 nan 8.190 nan 0.000 0.468 306 N N -0.038 118.718 118.700 0.092 0.000 2.446 306 N HA -0.059 4.684 4.740 0.006 0.000 0.179 306 N C 0.986 176.605 175.510 0.182 0.000 1.054 306 N CA 0.550 53.680 53.050 0.133 0.000 0.905 306 N CB -0.196 38.361 38.487 0.118 0.000 0.973 306 N HN 0.393 nan 8.380 nan 0.000 0.448 307 D N 2.058 122.507 120.400 0.081 0.000 2.848 307 D HA -0.077 4.566 4.640 0.006 0.000 0.232 307 D C 1.469 177.715 176.300 -0.090 0.000 1.107 307 D CA -0.367 53.610 54.000 -0.037 0.000 1.020 307 D CB -0.504 40.261 40.800 -0.059 0.000 1.148 307 D HN 0.353 nan 8.370 nan 0.000 0.453 308 W N 0.908 122.198 121.300 -0.017 0.000 2.341 308 W HA -0.205 4.459 4.660 0.006 0.000 0.283 308 W C 1.085 177.589 176.519 -0.027 0.000 1.215 308 W CA 0.232 57.562 57.345 -0.024 0.000 1.211 308 W CB -0.734 28.714 29.460 -0.020 0.000 1.131 308 W HN 0.228 nan 8.180 nan 0.000 0.552 309 Q N 0.755 119.940 119.800 -1.025 0.000 2.020 309 Q HA -0.227 4.116 4.340 0.006 0.000 0.202 309 Q C 2.468 178.230 176.000 -0.397 0.000 0.982 309 Q CA 2.371 57.596 55.803 -0.964 0.000 0.838 309 Q CB -0.493 27.628 28.738 -1.029 0.000 0.899 309 Q HN 0.417 nan 8.270 nan 0.000 0.423 310 M N 0.536 119.950 119.600 -0.310 0.000 2.132 310 M HA -0.149 4.334 4.480 0.006 0.000 0.263 310 M C 1.846 178.071 176.300 -0.125 0.000 1.065 310 M CA 1.400 56.587 55.300 -0.189 0.000 1.122 310 M CB -0.015 32.484 32.600 -0.168 0.000 1.365 310 M HN 0.124 nan 8.290 nan 0.000 0.411 311 L N 0.057 121.223 121.223 -0.095 0.000 2.079 311 L HA -0.206 4.138 4.340 0.006 0.000 0.210 311 L C 2.400 179.261 176.870 -0.016 0.000 1.081 311 L CA 1.477 56.291 54.840 -0.043 0.000 0.752 311 L CB -0.744 41.314 42.059 -0.002 0.000 0.896 311 L HN 0.389 nan 8.230 nan 0.000 0.433 312 E N -0.237 119.969 120.200 0.009 0.000 2.204 312 E HA -0.179 4.175 4.350 0.006 0.000 0.194 312 E C 2.253 178.852 176.600 -0.002 0.000 0.989 312 E CA 0.891 57.314 56.400 0.038 0.000 0.824 312 E CB 0.061 29.830 29.700 0.115 0.000 0.756 312 E HN 0.263 nan 8.360 nan 0.000 0.477 313 M N -0.399 119.177 119.600 -0.040 0.000 2.296 313 M HA -0.075 4.408 4.480 0.006 0.000 0.265 313 M C 1.742 178.026 176.300 -0.028 0.000 1.064 313 M CA 1.062 56.337 55.300 -0.042 0.000 1.109 313 M CB -0.171 32.384 32.600 -0.075 0.000 1.396 313 M HN 0.238 nan 8.290 nan 0.000 0.430 314 L N -0.722 120.481 121.223 -0.034 0.000 2.354 314 L HA -0.088 4.255 4.340 0.006 0.000 0.212 314 L C 2.375 179.231 176.870 -0.023 0.000 1.091 314 L CA 0.366 55.188 54.840 -0.031 0.000 0.828 314 L CB -0.355 41.672 42.059 -0.053 0.000 0.973 314 L HN 0.224 nan 8.230 nan 0.000 0.461 315 K N 1.189 121.576 120.400 -0.021 0.000 2.032 315 K HA -0.224 4.099 4.320 0.006 0.000 0.218 315 K C -0.655 175.937 176.600 -0.013 0.000 1.054 315 K CA 2.264 58.538 56.287 -0.021 0.000 0.941 315 K CB -1.103 31.389 32.500 -0.014 0.000 0.720 315 K HN 0.147 nan 8.250 nan 0.000 0.449 316 P HA -0.176 nan 4.420 nan 0.000 0.218 316 P C 1.167 178.476 177.300 0.015 0.000 1.146 316 P CA 1.326 64.431 63.100 0.010 0.000 0.813 316 P CB -0.223 31.488 31.700 0.017 0.000 0.778 317 C N -0.624 118.683 119.300 0.013 0.000 2.453 317 C HA -0.063 4.401 4.460 0.006 0.000 0.277 317 C C 2.968 177.973 174.990 0.024 0.000 1.262 317 C CA 0.616 59.647 59.018 0.021 0.000 1.718 317 C CB -1.469 26.286 27.740 0.025 0.000 2.031 317 C HN 0.117 nan 8.230 nan 0.000 0.480 318 V N 1.529 121.449 119.914 0.010 0.000 2.490 318 V HA -0.178 3.945 4.120 0.006 0.000 0.250 318 V C 2.438 178.569 176.094 0.062 0.000 1.061 318 V CA 1.740 64.050 62.300 0.017 0.000 1.064 318 V CB -0.792 31.014 31.823 -0.028 0.000 0.670 318 V HN 0.555 nan 8.190 nan 0.000 0.461 319 E N 0.225 120.450 120.200 0.041 0.000 2.160 319 E HA -0.248 4.105 4.350 0.006 0.000 0.195 319 E C 1.640 178.342 176.600 0.170 0.000 0.991 319 E CA 1.518 57.970 56.400 0.086 0.000 0.810 319 E CB -0.237 29.486 29.700 0.038 0.000 0.742 319 E HN 0.601 nan 8.360 nan 0.000 0.466 320 D N -0.840 119.614 120.400 0.091 0.000 2.349 320 D HA 0.058 4.701 4.640 0.006 0.000 0.214 320 D C 1.436 177.736 176.300 0.001 0.000 1.063 320 D CA 0.538 54.562 54.000 0.039 0.000 0.847 320 D CB 0.266 41.072 40.800 0.010 0.000 0.933 320 D HN 0.168 nan 8.370 nan 0.000 0.513 321 G N -0.326 108.507 108.800 0.055 0.000 2.768 321 G HA2 -0.036 3.928 3.960 0.006 0.000 0.201 321 G HA3 -0.036 3.928 3.960 0.006 0.000 0.201 321 G C 1.036 175.952 174.900 0.026 0.000 1.089 321 G CA -0.185 44.919 45.100 0.008 0.000 0.787 321 G HN 0.337 nan 8.290 nan 0.000 0.547 322 F N 2.125 122.031 119.950 -0.072 0.000 2.772 322 F HA 0.202 4.733 4.527 0.006 0.000 0.301 322 F C 1.005 176.763 175.800 -0.071 0.000 1.250 322 F CA -0.092 57.870 58.000 -0.064 0.000 1.441 322 F CB -0.052 38.918 39.000 -0.050 0.000 1.112 322 F HN -0.060 nan 8.300 nan 0.000 0.563 323 V N 1.027 120.697 119.914 -0.405 0.000 3.541 323 V HA 0.096 4.220 4.120 0.006 0.000 0.267 323 V C 0.619 176.547 176.094 -0.278 0.000 1.213 323 V CA 0.507 62.555 62.300 -0.421 0.000 1.149 323 V CB -0.870 30.748 31.823 -0.342 0.000 0.822 323 V HN 0.393 nan 8.190 nan 0.000 0.462 324 I N 0.255 120.703 120.570 -0.203 0.000 2.563 324 I HA 0.351 4.525 4.170 0.006 0.000 0.285 324 I C -0.273 175.802 176.117 -0.071 0.000 1.123 324 I CA -0.043 61.170 61.300 -0.144 0.000 1.059 324 I CB 2.129 40.017 38.000 -0.187 0.000 1.229 324 I HN -0.087 nan 8.210 nan 0.000 0.442 325 Q N 4.592 124.365 119.800 -0.045 0.000 2.115 325 Q HA 0.220 4.564 4.340 0.006 0.000 0.249 325 Q C -1.021 174.977 176.000 -0.003 0.000 0.830 325 Q CA -0.156 55.642 55.803 -0.009 0.000 1.104 325 Q CB 0.554 29.296 28.738 0.005 0.000 1.207 325 Q HN 0.743 nan 8.270 nan 0.000 0.464 326 D N -2.754 117.643 120.400 -0.005 0.000 2.692 326 D HA 0.218 4.862 4.640 0.006 0.000 0.303 326 D C 0.202 176.508 176.300 0.011 0.000 1.278 326 D CA -0.598 53.404 54.000 0.004 0.000 0.852 326 D CB 0.618 41.418 40.800 0.001 0.000 1.375 326 D HN -0.169 nan 8.370 nan 0.000 0.453 327 R N -0.108 120.402 120.500 0.016 0.000 2.075 327 R HA -0.032 4.312 4.340 0.006 0.000 0.232 327 R C 1.656 177.968 176.300 0.020 0.000 1.126 327 R CA 1.525 57.638 56.100 0.021 0.000 0.963 327 R CB -0.359 29.954 30.300 0.022 0.000 0.858 327 R HN 0.551 nan 8.270 nan 0.000 0.435 328 E N -0.754 119.456 120.200 0.017 0.000 2.051 328 E HA -0.084 4.270 4.350 0.006 0.000 0.189 328 E C 1.856 178.473 176.600 0.028 0.000 0.979 328 E CA 1.862 58.274 56.400 0.020 0.000 0.803 328 E CB -0.104 29.606 29.700 0.017 0.000 0.761 328 E HN 0.441 nan 8.360 nan 0.000 0.451 329 T N -1.546 113.021 114.554 0.022 0.000 3.055 329 T HA 0.146 4.499 4.350 0.006 0.000 0.265 329 T C 1.972 176.698 174.700 0.044 0.000 1.111 329 T CA 0.589 62.707 62.100 0.030 0.000 1.118 329 T CB -0.086 68.784 68.868 0.002 0.000 0.909 329 T HN 0.130 nan 8.240 nan 0.000 0.501 330 A N 2.263 125.100 122.820 0.029 0.000 1.869 330 A HA 0.013 4.337 4.320 0.006 0.000 0.218 330 A C 2.101 179.731 177.584 0.077 0.000 1.203 330 A CA 1.642 53.704 52.037 0.043 0.000 0.638 330 A CB -0.981 18.037 19.000 0.030 0.000 0.831 330 A HN 0.514 nan 8.150 nan 0.000 0.450 331 L N -0.567 120.687 121.223 0.052 0.000 2.599 331 L HA 0.111 4.455 4.340 0.006 0.000 0.230 331 L C 0.416 177.325 176.870 0.066 0.000 1.141 331 L CA 0.603 55.469 54.840 0.043 0.000 0.877 331 L CB -0.090 41.980 42.059 0.019 0.000 1.009 331 L HN 0.301 nan 8.230 nan 0.000 0.447 332 D N -1.124 119.332 120.400 0.094 0.000 2.930 332 D HA 0.116 4.760 4.640 0.006 0.000 0.304 332 D C 0.302 176.719 176.300 0.196 0.000 1.298 332 D CA -0.088 53.975 54.000 0.106 0.000 0.949 332 D CB 0.188 41.033 40.800 0.075 0.000 1.013 332 D HN 0.079 nan 8.370 nan 0.000 0.510 333 F N 1.637 121.589 119.950 0.003 0.000 2.743 333 F HA 0.326 4.856 4.527 0.006 0.000 0.356 333 F C -0.630 175.174 175.800 0.008 0.000 0.845 333 F CA -0.122 57.878 58.000 0.000 0.000 1.058 333 F CB 0.666 39.661 39.000 -0.008 0.000 0.952 333 F HN -0.061 nan 8.300 nan 0.000 0.620 334 I N 1.493 121.860 120.570 -0.338 0.000 7.870 334 I HA -0.181 3.993 4.170 0.006 0.000 0.126 334 I C 1.443 177.564 176.117 0.006 0.000 1.847 334 I CA 0.531 61.795 61.300 -0.059 0.000 2.037 334 I CB -1.523 36.521 38.000 0.072 0.000 3.728 334 I HN 0.415 nan 8.210 nan 0.000 0.169 335 G N 7.495 116.308 108.800 0.022 0.000 2.719 335 G HA2 -0.258 3.706 3.960 0.006 0.000 0.219 335 G HA3 -0.258 3.706 3.960 0.006 0.000 0.219 335 G C 0.787 175.641 174.900 -0.077 0.000 1.234 335 G CA 1.489 46.575 45.100 -0.024 0.000 0.788 335 G HN 0.848 nan 8.290 nan 0.000 0.619 336 R N -0.315 120.142 120.500 -0.072 0.000 2.585 336 R HA 0.508 4.851 4.340 0.006 0.000 0.278 336 R C -0.466 175.869 176.300 0.059 0.000 1.663 336 R CA -0.816 55.308 56.100 0.040 0.000 1.592 336 R CB 0.680 30.988 30.300 0.013 0.000 1.200 336 R HN 0.207 nan 8.270 nan 0.000 0.611 337 R N 1.831 122.419 120.500 0.146 0.000 2.343 337 R HA 0.258 4.602 4.340 0.006 0.000 0.326 337 R C 0.183 176.580 176.300 0.163 0.000 1.055 337 R CA 1.240 57.434 56.100 0.156 0.000 0.961 337 R CB 0.333 30.757 30.300 0.207 0.000 0.978 337 R HN 0.831 nan 8.270 nan 0.000 0.443 338 G N 3.325 112.162 108.800 0.060 0.000 2.686 338 G HA2 -0.243 3.721 3.960 0.006 0.000 0.211 338 G HA3 -0.243 3.721 3.960 0.006 0.000 0.211 338 G C 0.540 175.435 174.900 -0.008 0.000 0.829 338 G CA 0.235 45.335 45.100 0.001 0.000 0.993 338 G HN 0.946 nan 8.290 nan 0.000 0.330 339 T N 0.291 114.845 114.554 -0.000 0.000 12.380 339 T HA -0.382 3.972 4.350 0.006 0.000 0.415 339 T C 2.651 177.345 174.700 -0.011 0.000 1.471 339 T CA 3.306 65.405 62.100 -0.002 0.000 2.420 339 T CB -1.462 67.408 68.868 0.002 0.000 2.818 339 T HN 2.428 nan 8.240 nan 0.000 0.798 340 A N 0.697 123.506 122.820 -0.018 0.000 2.076 340 A HA 0.269 4.593 4.320 0.006 0.000 0.220 340 A C 1.525 179.093 177.584 -0.026 0.000 1.160 340 A CA 1.911 53.935 52.037 -0.022 0.000 0.653 340 A CB -0.285 18.698 19.000 -0.027 0.000 0.801 340 A HN 0.501 nan 8.150 nan 0.000 0.455 341 L N -2.215 118.988 121.223 -0.034 0.000 2.583 341 L HA 0.473 4.816 4.340 0.006 0.000 0.165 341 L C 2.246 179.105 176.870 -0.018 0.000 1.560 341 L CA 1.502 56.323 54.840 -0.033 0.000 3.120 341 L CB -1.134 40.894 42.059 -0.051 0.000 2.974 341 L HN 0.219 nan 8.230 nan 0.000 0.955 342 G N -0.996 107.796 108.800 -0.013 0.000 2.534 342 G HA2 0.150 4.113 3.960 0.006 0.000 0.220 342 G HA3 0.150 4.113 3.960 0.006 0.000 0.220 342 G C 1.032 175.924 174.900 -0.013 0.000 1.699 342 G CA 0.663 45.754 45.100 -0.016 0.000 0.769 342 G HN 0.396 nan 8.290 nan 0.000 0.632 343 I N -1.948 118.620 120.570 -0.004 0.000 3.172 343 I HA 0.367 4.541 4.170 0.006 0.000 0.278 343 I C 0.021 176.144 176.117 0.011 0.000 1.174 343 I CA 0.293 61.595 61.300 0.004 0.000 1.445 343 I CB -0.463 37.540 38.000 0.005 0.000 1.175 343 I HN -0.167 nan 8.210 nan 0.000 0.447 344 K N 2.909 123.316 120.400 0.010 0.000 2.168 344 K HA 0.131 4.454 4.320 0.006 0.000 0.258 344 K C 0.093 176.706 176.600 0.022 0.000 1.010 344 K CA -0.338 55.959 56.287 0.016 0.000 0.929 344 K CB 0.651 33.158 32.500 0.012 0.000 0.998 344 K HN 0.170 nan 8.250 nan 0.000 0.479 345 K N 1.596 122.015 120.400 0.031 0.000 3.795 345 K HA -0.185 4.139 4.320 0.006 0.000 0.287 345 K C 0.754 177.367 176.600 0.022 0.000 1.083 345 K CA 0.882 57.186 56.287 0.030 0.000 0.875 345 K CB -0.713 31.805 32.500 0.029 0.000 1.413 345 K HN 0.824 nan 8.250 nan 0.000 0.447 346 E N 0.358 120.571 120.200 0.021 0.000 2.106 346 E HA -0.228 4.126 4.350 0.006 0.000 0.192 346 E C 1.149 177.770 176.600 0.034 0.000 0.984 346 E CA 1.160 57.575 56.400 0.026 0.000 0.806 346 E CB -0.051 29.662 29.700 0.021 0.000 0.750 346 E HN 0.407 nan 8.360 nan 0.000 0.458 347 K N 1.217 121.634 120.400 0.029 0.000 2.059 347 K HA -0.236 4.088 4.320 0.006 0.000 0.212 347 K C 2.355 178.992 176.600 0.061 0.000 1.050 347 K CA 2.454 58.760 56.287 0.032 0.000 0.927 347 K CB -0.345 32.161 32.500 0.009 0.000 0.714 347 K HN 0.335 nan 8.250 nan 0.000 0.447 348 R N 0.658 121.198 120.500 0.066 0.000 2.090 348 R HA 0.012 4.356 4.340 0.006 0.000 0.228 348 R C 2.041 178.416 176.300 0.124 0.000 1.110 348 R CA 1.484 57.653 56.100 0.114 0.000 0.973 348 R CB -0.582 29.770 30.300 0.086 0.000 0.869 348 R HN 0.110 nan 8.270 nan 0.000 0.440 349 I N 0.950 121.566 120.570 0.076 0.000 2.286 349 I HA -0.209 3.965 4.170 0.006 0.000 0.248 349 I C 2.295 178.444 176.117 0.054 0.000 1.115 349 I CA 0.968 62.301 61.300 0.055 0.000 1.392 349 I CB -0.357 37.667 38.000 0.040 0.000 1.065 349 I HN 0.280 nan 8.210 nan 0.000 0.418 350 Q N -0.011 119.830 119.800 0.069 0.000 2.119 350 Q HA -0.226 4.118 4.340 0.006 0.000 0.201 350 Q C 2.057 178.122 176.000 0.108 0.000 0.972 350 Q CA 1.611 57.456 55.803 0.070 0.000 0.847 350 Q CB -0.476 28.299 28.738 0.062 0.000 0.903 350 Q HN 0.544 nan 8.270 nan 0.000 0.433 351 Y N 0.594 120.888 120.300 -0.010 0.000 2.293 351 Y HA -0.114 4.439 4.550 0.006 0.000 0.291 351 Y C 1.994 177.885 175.900 -0.015 0.000 1.137 351 Y CA 1.239 59.327 58.100 -0.019 0.000 1.202 351 Y CB -0.303 38.146 38.460 -0.017 0.000 0.990 351 Y HN 0.074 nan 8.280 nan 0.000 0.537 352 A N -0.136 122.642 122.820 -0.069 0.000 1.898 352 A HA -0.082 4.241 4.320 0.006 0.000 0.214 352 A C 2.265 179.781 177.584 -0.113 0.000 1.183 352 A CA 1.280 53.228 52.037 -0.149 0.000 0.622 352 A CB -0.544 18.421 19.000 -0.058 0.000 0.824 352 A HN 0.374 nan 8.150 nan 0.000 0.444 353 K N -0.457 119.914 120.400 -0.048 0.000 2.365 353 K HA -0.130 4.194 4.320 0.006 0.000 0.199 353 K C 0.790 177.376 176.600 -0.023 0.000 1.045 353 K CA 1.241 57.512 56.287 -0.027 0.000 0.962 353 K CB -0.055 32.445 32.500 0.001 0.000 0.759 353 K HN 0.413 nan 8.250 nan 0.000 0.469 354 D N 0.685 121.062 120.400 -0.039 0.000 2.110 354 D HA -0.073 4.571 4.640 0.006 0.000 0.202 354 D C 1.924 178.194 176.300 -0.049 0.000 0.975 354 D CA 0.890 54.873 54.000 -0.029 0.000 0.839 354 D CB -0.106 40.684 40.800 -0.016 0.000 0.996 354 D HN 0.175 nan 8.370 nan 0.000 0.464 355 I N 1.158 121.647 120.570 -0.135 0.000 2.248 355 I HA -0.247 3.926 4.170 0.006 0.000 0.248 355 I C 2.076 178.197 176.117 0.007 0.000 1.107 355 I CA 0.851 62.083 61.300 -0.115 0.000 1.373 355 I CB -0.153 37.699 38.000 -0.248 0.000 1.055 355 I HN -0.043 nan 8.210 nan 0.000 0.418 356 L N -0.186 121.018 121.223 -0.032 0.000 2.622 356 L HA -0.103 4.240 4.340 0.006 0.000 0.233 356 L C 1.804 178.763 176.870 0.148 0.000 1.156 356 L CA 0.715 55.556 54.840 0.002 0.000 0.866 356 L CB -0.315 41.653 42.059 -0.152 0.000 0.980 356 L HN 0.394 nan 8.230 nan 0.000 0.448 357 Q N -1.497 118.368 119.800 0.109 0.000 2.279 357 Q HA 0.028 4.372 4.340 0.006 0.000 0.261 357 Q C 1.814 177.870 176.000 0.093 0.000 0.796 357 Q CA -0.046 55.823 55.803 0.110 0.000 0.971 357 Q CB 0.703 29.488 28.738 0.078 0.000 1.179 357 Q HN 0.200 nan 8.270 nan 0.000 0.505 358 K N 0.351 120.797 120.400 0.077 0.000 2.313 358 K HA 0.043 4.366 4.320 0.006 0.000 0.197 358 K C 0.976 177.637 176.600 0.102 0.000 1.061 358 K CA 0.736 57.066 56.287 0.073 0.000 0.980 358 K CB 0.752 33.277 32.500 0.042 0.000 0.888 358 K HN -0.025 nan 8.250 nan 0.000 0.502 359 E N -0.398 119.876 120.200 0.124 0.000 2.453 359 E HA 0.020 4.374 4.350 0.006 0.000 0.211 359 E C -0.380 176.344 176.600 0.207 0.000 0.897 359 E CA -0.210 56.294 56.400 0.174 0.000 1.063 359 E CB 0.319 30.140 29.700 0.201 0.000 1.080 359 E HN 0.096 nan 8.360 nan 0.000 0.512 360 F N 2.695 122.676 119.950 0.052 0.000 2.405 360 F HA 0.230 4.761 4.527 0.006 0.000 0.358 360 F C 0.076 175.892 175.800 0.026 0.000 1.151 360 F CA -0.620 57.408 58.000 0.047 0.000 1.161 360 F CB 0.020 39.033 39.000 0.022 0.000 1.245 360 F HN -0.141 nan 8.300 nan 0.000 0.545 361 L N 6.890 127.918 121.223 -0.325 0.000 3.472 361 L HA -0.204 4.140 4.340 0.006 0.000 0.485 361 L C -1.879 174.855 176.870 -0.226 0.000 1.312 361 L CA 0.066 54.680 54.840 -0.377 0.000 0.869 361 L CB -1.590 40.015 42.059 -0.757 0.000 1.687 361 L HN 0.490 nan 8.230 nan 0.000 0.853 362 P HA -0.163 nan 4.420 nan 0.000 0.223 362 P C 0.701 178.005 177.300 0.007 0.000 1.140 362 P CA 1.777 64.886 63.100 0.015 0.000 0.783 362 P CB -0.153 31.596 31.700 0.082 0.000 0.759 363 H N -1.970 117.021 119.070 -0.132 0.000 2.417 363 H HA 0.215 4.775 4.556 0.006 0.000 0.325 363 H C 1.488 176.673 175.328 -0.237 0.000 1.549 363 H CA -0.449 55.499 56.048 -0.166 0.000 1.476 363 H CB 0.157 29.820 29.762 -0.167 0.000 1.732 363 H HN -0.265 nan 8.280 nan 0.000 0.695 364 I N -2.022 118.300 120.570 -0.414 0.000 4.713 364 I HA -0.368 3.806 4.170 0.006 0.000 0.044 364 I C 0.757 176.640 176.117 -0.390 0.000 0.627 364 I CA 2.225 63.230 61.300 -0.492 0.000 0.714 364 I CB -2.045 35.591 38.000 -0.607 0.000 0.668 364 I HN 0.863 nan 8.210 nan 0.000 0.156 365 T N -0.695 113.674 114.554 -0.309 0.000 2.770 365 T HA 0.410 4.764 4.350 0.006 0.000 0.323 365 T C -0.576 174.072 174.700 -0.086 0.000 1.683 365 T CA -0.165 61.798 62.100 -0.229 0.000 1.024 365 T CB 1.723 70.360 68.868 -0.385 0.000 1.557 365 T HN 0.375 nan 8.240 nan 0.000 0.494 366 Q N 1.178 120.971 119.800 -0.011 0.000 2.127 366 Q HA 0.376 4.720 4.340 0.006 0.000 0.222 366 Q C 0.856 176.905 176.000 0.082 0.000 0.794 366 Q CA -0.092 55.734 55.803 0.039 0.000 1.010 366 Q CB 0.651 29.411 28.738 0.037 0.000 1.170 366 Q HN 0.521 nan 8.270 nan 0.000 0.479 367 L N -0.167 121.133 121.223 0.130 0.000 2.467 367 L HA 0.099 4.442 4.340 0.006 0.000 0.193 367 L C 1.633 178.589 176.870 0.143 0.000 1.324 367 L CA 1.005 55.941 54.840 0.159 0.000 2.976 367 L CB 0.003 42.213 42.059 0.253 0.000 2.863 367 L HN 0.101 nan 8.230 nan 0.000 1.094 368 E N -1.454 118.837 120.200 0.153 0.000 3.777 368 E HA 0.061 4.415 4.350 0.006 0.000 0.247 368 E C 1.302 177.906 176.600 0.008 0.000 1.256 368 E CA 0.441 56.885 56.400 0.073 0.000 1.786 368 E CB 0.114 29.830 29.700 0.027 0.000 1.722 368 E HN 0.436 nan 8.360 nan 0.000 0.810 369 G N 0.934 109.634 108.800 -0.167 0.000 3.324 369 G HA2 0.100 4.064 3.960 0.006 0.000 0.232 369 G HA3 0.100 4.064 3.960 0.006 0.000 0.232 369 G C -0.418 174.061 174.900 -0.700 0.000 1.213 369 G CA 0.224 45.086 45.100 -0.396 0.000 1.637 369 G HN 0.127 nan 8.290 nan 0.000 0.572 370 F N -0.836 119.120 119.950 0.010 0.000 2.566 370 F HA 0.309 4.839 4.527 0.006 0.000 0.352 370 F C 0.950 176.763 175.800 0.022 0.000 1.534 370 F CA -0.589 57.412 58.000 0.001 0.000 1.097 370 F CB 1.233 40.220 39.000 -0.022 0.000 1.488 370 F HN 0.032 nan 8.300 nan 0.000 0.562 371 E N 0.320 120.604 120.200 0.140 0.000 2.076 371 E HA -0.108 4.245 4.350 0.006 0.000 0.190 371 E C 2.269 178.962 176.600 0.155 0.000 0.979 371 E CA 1.546 58.026 56.400 0.133 0.000 0.807 371 E CB 0.041 29.795 29.700 0.090 0.000 0.761 371 E HN 0.360 nan 8.360 nan 0.000 0.454 372 S N 0.328 116.119 115.700 0.153 0.000 2.453 372 S HA -0.016 4.458 4.470 0.006 0.000 0.231 372 S C 1.809 176.525 174.600 0.194 0.000 1.005 372 S CA 0.202 58.513 58.200 0.186 0.000 0.949 372 S CB -0.047 63.271 63.200 0.196 0.000 0.774 372 S HN 0.048 nan 8.310 nan 0.000 0.510 373 R N 1.882 122.463 120.500 0.134 0.000 2.081 373 R HA 0.085 4.429 4.340 0.006 0.000 0.235 373 R C 2.144 178.477 176.300 0.054 0.000 1.131 373 R CA 1.331 57.448 56.100 0.029 0.000 0.960 373 R CB -0.493 29.827 30.300 0.033 0.000 0.856 373 R HN 0.524 nan 8.270 nan 0.000 0.436 374 K N 0.216 120.685 120.400 0.114 0.000 2.167 374 K HA 0.066 4.390 4.320 0.006 0.000 0.203 374 K C 2.128 178.889 176.600 0.268 0.000 1.052 374 K CA 0.909 57.293 56.287 0.162 0.000 0.956 374 K CB 0.002 32.640 32.500 0.230 0.000 0.735 374 K HN 0.095 nan 8.250 nan 0.000 0.451 375 A N 0.976 123.933 122.820 0.229 0.000 1.873 375 A HA -0.128 4.196 4.320 0.006 0.000 0.215 375 A C 1.906 179.661 177.584 0.283 0.000 1.186 375 A CA 1.145 53.292 52.037 0.184 0.000 0.616 375 A CB -0.747 18.381 19.000 0.214 0.000 0.823 375 A HN 0.178 nan 8.150 nan 0.000 0.442 376 F N -1.483 118.521 119.950 0.091 0.000 2.120 376 F HA -0.181 4.349 4.527 0.006 0.000 0.300 376 F C 2.034 178.132 175.800 0.497 0.000 1.095 376 F CA 1.903 59.995 58.000 0.153 0.000 1.249 376 F CB -0.444 38.376 39.000 -0.300 0.000 0.995 376 F HN 0.327 nan 8.300 nan 0.000 0.480 377 F N 0.312 120.551 119.950 0.483 0.000 2.031 377 F HA -0.222 4.309 4.527 0.006 0.000 0.295 377 F C 2.241 178.316 175.800 0.458 0.000 1.133 377 F CA 1.501 59.802 58.000 0.501 0.000 1.188 377 F CB -0.895 38.251 39.000 0.243 0.000 0.974 377 F HN -0.100 nan 8.300 nan 0.000 0.473 378 L N 0.310 121.788 121.223 0.425 0.000 2.661 378 L HA -0.022 4.322 4.340 0.006 0.000 0.236 378 L C 1.875 178.907 176.870 0.270 0.000 1.176 378 L CA 1.737 56.728 54.840 0.252 0.000 0.836 378 L CB -1.043 41.115 42.059 0.164 0.000 0.960 378 L HN 0.222 nan 8.230 nan 0.000 0.455 379 G N -1.523 107.561 108.800 0.474 0.000 2.486 379 G HA2 -0.256 3.707 3.960 0.006 0.000 0.210 379 G HA3 -0.256 3.707 3.960 0.006 0.000 0.210 379 G C 1.366 176.530 174.900 0.439 0.000 1.168 379 G CA 0.511 45.978 45.100 0.611 0.000 0.820 379 G HN 0.521 nan 8.290 nan 0.000 0.544 380 Y N 0.959 121.473 120.300 0.356 0.000 2.352 380 Y HA 0.065 4.618 4.550 0.006 0.000 0.292 380 Y C 2.674 178.572 175.900 -0.004 0.000 1.136 380 Y CA 1.329 59.555 58.100 0.210 0.000 1.227 380 Y CB -0.042 38.490 38.460 0.120 0.000 0.991 380 Y HN 0.109 nan 8.280 nan 0.000 0.545 381 M N -0.750 118.834 119.600 -0.026 0.000 2.132 381 M HA -0.207 4.277 4.480 0.006 0.000 0.263 381 M C 1.754 178.019 176.300 -0.059 0.000 1.065 381 M CA 1.179 56.420 55.300 -0.099 0.000 1.122 381 M CB -0.214 32.389 32.600 0.006 0.000 1.365 381 M HN 0.272 nan 8.290 nan 0.000 0.411 382 I N 0.184 120.781 120.570 0.045 0.000 2.252 382 I HA -0.274 3.900 4.170 0.006 0.000 0.245 382 I C 2.029 178.118 176.117 -0.046 0.000 1.102 382 I CA 1.576 62.901 61.300 0.043 0.000 1.385 382 I CB -1.859 36.219 38.000 0.130 0.000 1.064 382 I HN 0.409 nan 8.210 nan 0.000 0.414 383 N N 1.087 119.742 118.700 -0.075 0.000 2.043 383 N HA -0.246 4.498 4.740 0.006 0.000 0.193 383 N C 1.987 177.383 175.510 -0.189 0.000 1.037 383 N CA 1.516 54.485 53.050 -0.136 0.000 0.851 383 N CB -0.005 38.416 38.487 -0.110 0.000 1.027 383 N HN -0.002 nan 8.380 nan 0.000 0.422 384 R N -0.062 120.261 120.500 -0.296 0.000 2.105 384 R HA -0.050 4.293 4.340 0.006 0.000 0.239 384 R C 1.947 178.128 176.300 -0.199 0.000 1.135 384 R CA 0.731 56.641 56.100 -0.316 0.000 0.967 384 R CB -0.959 29.069 30.300 -0.452 0.000 0.861 384 R HN 0.324 nan 8.270 nan 0.000 0.442 385 L N 0.277 121.411 121.223 -0.148 0.000 1.943 385 L HA -0.154 4.190 4.340 0.006 0.000 0.215 385 L C 1.840 178.618 176.870 -0.154 0.000 1.074 385 L CA 1.839 56.614 54.840 -0.110 0.000 0.759 385 L CB -0.642 41.386 42.059 -0.052 0.000 0.888 385 L HN 0.186 nan 8.230 nan 0.000 0.433 386 L N -1.157 119.980 121.223 -0.143 0.000 2.191 386 L HA -0.227 4.117 4.340 0.006 0.000 0.212 386 L C 2.379 179.150 176.870 -0.165 0.000 1.103 386 L CA 0.478 55.221 54.840 -0.160 0.000 0.769 386 L CB -0.746 41.236 42.059 -0.128 0.000 0.908 386 L HN 0.331 nan 8.230 nan 0.000 0.438 387 L N -0.627 120.507 121.223 -0.149 0.000 2.450 387 L HA -0.214 4.130 4.340 0.006 0.000 0.224 387 L C 2.228 179.027 176.870 -0.118 0.000 1.149 387 L CA 1.282 56.045 54.840 -0.128 0.000 0.816 387 L CB -0.641 41.344 42.059 -0.124 0.000 0.932 387 L HN 0.530 nan 8.230 nan 0.000 0.449 388 C N -1.719 117.497 119.300 -0.140 0.000 3.097 388 C HA 0.357 4.820 4.460 0.006 0.000 0.335 388 C C 2.485 177.377 174.990 -0.164 0.000 1.283 388 C CA 0.387 59.346 59.018 -0.097 0.000 1.778 388 C CB 0.059 27.774 27.740 -0.042 0.000 2.365 388 C HN 0.444 nan 8.230 nan 0.000 0.627 389 A N 0.058 122.670 122.820 -0.347 0.000 2.238 389 A HA 0.383 4.706 4.320 0.006 0.000 0.210 389 A C 1.496 178.956 177.584 -0.206 0.000 1.179 389 A CA 0.631 52.375 52.037 -0.488 0.000 0.827 389 A CB -0.286 18.330 19.000 -0.640 0.000 0.856 389 A HN 0.582 nan 8.150 nan 0.000 0.488 390 L N -0.779 120.351 121.223 -0.155 0.000 2.693 390 L HA 0.183 4.526 4.340 0.006 0.000 0.235 390 L C -0.422 176.401 176.870 -0.077 0.000 1.127 390 L CA -0.016 54.754 54.840 -0.116 0.000 0.914 390 L CB 0.112 42.085 42.059 -0.143 0.000 1.193 390 L HN 0.219 nan 8.230 nan 0.000 0.502 391 D N 0.688 121.054 120.400 -0.057 0.000 2.718 391 D HA -0.201 4.443 4.640 0.006 0.000 0.242 391 D C 1.159 177.438 176.300 -0.034 0.000 1.123 391 D CA 0.547 54.532 54.000 -0.025 0.000 0.690 391 D CB -0.318 40.478 40.800 -0.008 0.000 1.059 391 D HN 0.387 nan 8.370 nan 0.000 0.429 392 R N -0.381 120.090 120.500 -0.048 0.000 2.195 392 R HA 0.101 4.445 4.340 0.006 0.000 0.197 392 R C 0.606 176.886 176.300 -0.033 0.000 0.990 392 R CA 0.442 56.516 56.100 -0.043 0.000 1.048 392 R CB 0.552 30.817 30.300 -0.058 0.000 0.997 392 R HN -0.092 nan 8.270 nan 0.000 0.502 393 K N 0.214 120.592 120.400 -0.037 0.000 2.385 393 K HA 0.204 4.528 4.320 0.006 0.000 0.248 393 K C -1.114 175.475 176.600 -0.017 0.000 0.955 393 K CA -0.642 55.627 56.287 -0.029 0.000 0.816 393 K CB 1.757 34.230 32.500 -0.045 0.000 1.250 393 K HN -0.145 nan 8.250 nan 0.000 0.434 394 D N 1.280 121.677 120.400 -0.006 0.000 2.363 394 D HA -0.037 4.607 4.640 0.006 0.000 0.240 394 D C -0.149 176.157 176.300 0.009 0.000 1.236 394 D CA 0.251 54.257 54.000 0.011 0.000 0.927 394 D CB 0.767 41.579 40.800 0.020 0.000 1.150 394 D HN 0.337 nan 8.370 nan 0.000 0.458 395 Q N 0.519 120.340 119.800 0.036 0.000 2.394 395 Q HA 0.006 4.350 4.340 0.006 0.000 0.248 395 Q C -0.608 175.413 176.000 0.035 0.000 0.992 395 Q CA -0.169 55.661 55.803 0.045 0.000 0.888 395 Q CB 0.704 29.502 28.738 0.099 0.000 1.257 395 Q HN 0.315 nan 8.270 nan 0.000 0.462 396 D N 2.466 122.851 120.400 -0.025 0.000 2.383 396 D HA -0.016 4.628 4.640 0.006 0.000 0.252 396 D C -0.799 175.609 176.300 0.179 0.000 1.166 396 D CA 0.165 54.151 54.000 -0.024 0.000 0.879 396 D CB 0.738 41.384 40.800 -0.256 0.000 1.164 396 D HN 0.409 nan 8.370 nan 0.000 0.462 397 D N 2.044 122.519 120.400 0.125 0.000 2.346 397 D HA 0.010 4.654 4.640 0.006 0.000 0.260 397 D C 1.069 177.443 176.300 0.122 0.000 1.252 397 D CA -0.012 54.064 54.000 0.126 0.000 0.895 397 D CB 0.521 41.398 40.800 0.129 0.000 1.097 397 D HN 0.245 nan 8.370 nan 0.000 0.489 398 R N 2.076 122.638 120.500 0.103 0.000 2.276 398 R HA 0.015 4.359 4.340 0.006 0.000 0.203 398 R C 0.005 176.304 176.300 -0.001 0.000 1.017 398 R CA 0.608 56.749 56.100 0.069 0.000 1.010 398 R CB 0.455 30.745 30.300 -0.016 0.000 0.900 398 R HN 0.360 nan 8.270 nan 0.000 0.469 399 D N -0.243 120.100 120.400 -0.095 0.000 2.643 399 D HA 0.027 4.670 4.640 0.006 0.000 0.244 399 D C -0.497 175.535 176.300 -0.447 0.000 1.257 399 D CA 0.026 53.896 54.000 -0.216 0.000 0.831 399 D CB 0.212 40.854 40.800 -0.264 0.000 1.043 399 D HN 0.146 nan 8.370 nan 0.000 0.488 400 H N 0.399 119.319 119.070 -0.250 0.000 2.489 400 H HA 0.056 4.616 4.556 0.006 0.000 0.322 400 H C 0.224 175.583 175.328 0.051 0.000 1.091 400 H CA -0.422 55.564 56.048 -0.104 0.000 1.291 400 H CB 0.995 30.747 29.762 -0.018 0.000 1.436 400 H HN -0.069 nan 8.280 nan 0.000 0.480 401 F N 3.520 123.469 119.950 -0.002 0.000 2.206 401 F HA 0.020 4.551 4.527 0.006 0.000 0.298 401 F C 2.364 178.230 175.800 0.111 0.000 1.090 401 F CA 1.521 59.540 58.000 0.032 0.000 1.323 401 F CB -0.441 38.539 39.000 -0.033 0.000 1.028 401 F HN 0.746 nan 8.300 nan 0.000 0.492 402 G N -0.529 108.458 108.800 0.311 0.000 2.586 402 G HA2 -0.224 3.740 3.960 0.006 0.000 0.215 402 G HA3 -0.224 3.740 3.960 0.006 0.000 0.215 402 G C 1.344 176.167 174.900 -0.129 0.000 1.128 402 G CA 0.363 45.500 45.100 0.061 0.000 0.774 402 G HN 0.295 nan 8.290 nan 0.000 0.543 403 K N 0.033 120.392 120.400 -0.069 0.000 2.726 403 K HA 0.233 4.556 4.320 0.006 0.000 0.209 403 K C -0.354 176.172 176.600 -0.123 0.000 1.082 403 K CA -0.022 56.183 56.287 -0.136 0.000 1.081 403 K CB 0.501 32.938 32.500 -0.105 0.000 0.830 403 K HN 0.153 nan 8.250 nan 0.000 0.470 404 K N 0.727 121.005 120.400 -0.203 0.000 2.523 404 K HA 0.424 4.748 4.320 0.006 0.000 0.257 404 K C -0.792 175.613 176.600 -0.324 0.000 0.932 404 K CA -1.103 55.052 56.287 -0.220 0.000 0.812 404 K CB 2.129 34.513 32.500 -0.193 0.000 1.326 404 K HN -0.170 nan 8.250 nan 0.000 0.433 405 R N 1.575 121.938 120.500 -0.228 0.000 2.778 405 R HA 0.524 4.867 4.340 0.006 0.000 0.277 405 R C -0.595 175.604 176.300 -0.169 0.000 0.977 405 R CA -0.886 55.088 56.100 -0.209 0.000 0.950 405 R CB 1.030 31.248 30.300 -0.137 0.000 1.165 405 R HN 0.551 nan 8.270 nan 0.000 0.474 406 L N 2.446 123.580 121.223 -0.148 0.000 2.262 406 L HA 0.275 4.618 4.340 0.006 0.000 0.288 406 L C -0.308 176.518 176.870 -0.074 0.000 1.035 406 L CA -0.739 54.042 54.840 -0.098 0.000 0.820 406 L CB 1.191 43.201 42.059 -0.080 0.000 1.204 406 L HN 0.265 nan 8.230 nan 0.000 0.424 407 D N 3.577 123.935 120.400 -0.070 0.000 2.342 407 D HA 0.162 4.806 4.640 0.006 0.000 0.260 407 D C 0.297 176.552 176.300 -0.075 0.000 1.278 407 D CA 0.002 53.964 54.000 -0.062 0.000 0.910 407 D CB 1.535 42.296 40.800 -0.065 0.000 1.079 407 D HN 0.174 nan 8.370 nan 0.000 0.496 408 L N 2.188 123.381 121.223 -0.050 0.000 2.977 408 L HA 0.398 4.742 4.340 0.006 0.000 0.175 408 L C 1.748 178.602 176.870 -0.027 0.000 1.360 408 L CA 0.081 54.897 54.840 -0.041 0.000 1.392 408 L CB -0.270 41.781 42.059 -0.014 0.000 2.342 408 L HN 0.331 nan 8.230 nan 0.000 0.524 409 A N -0.502 122.338 122.820 0.033 0.000 1.897 409 A HA 0.076 4.400 4.320 0.006 0.000 0.215 409 A C 1.927 179.580 177.584 0.116 0.000 1.181 409 A CA 1.351 53.456 52.037 0.113 0.000 0.620 409 A CB -1.538 17.598 19.000 0.227 0.000 0.821 409 A HN 0.843 nan 8.150 nan 0.000 0.443 410 G N 0.877 109.744 108.800 0.111 0.000 2.777 410 G HA2 -0.273 3.691 3.960 0.006 0.000 0.217 410 G HA3 -0.273 3.691 3.960 0.006 0.000 0.217 410 G C -0.061 174.792 174.900 -0.078 0.000 1.295 410 G CA 1.517 46.640 45.100 0.038 0.000 0.800 410 G HN 0.519 nan 8.290 nan 0.000 0.637 411 P HA 0.045 nan 4.420 nan 0.000 0.230 411 P C 2.043 179.370 177.300 0.044 0.000 1.158 411 P CA 0.562 63.673 63.100 0.018 0.000 0.769 411 P CB 0.014 31.728 31.700 0.023 0.000 0.807 412 L N -0.716 120.532 121.223 0.041 0.000 2.023 412 L HA -0.090 4.254 4.340 0.006 0.000 0.205 412 L C 2.711 179.841 176.870 0.433 0.000 1.073 412 L CA 1.373 56.314 54.840 0.169 0.000 0.745 412 L CB -0.853 41.131 42.059 -0.124 0.000 0.900 412 L HN -0.042 nan 8.230 nan 0.000 0.435 413 L N -0.481 120.836 121.223 0.157 0.000 2.141 413 L HA -0.161 4.183 4.340 0.006 0.000 0.209 413 L C 2.747 179.522 176.870 -0.157 0.000 1.094 413 L CA 0.931 55.733 54.840 -0.062 0.000 0.763 413 L CB -0.536 41.204 42.059 -0.531 0.000 0.908 413 L HN 0.230 nan 8.230 nan 0.000 0.437 414 A N 0.255 122.971 122.820 -0.173 0.000 1.969 414 A HA -0.225 4.099 4.320 0.006 0.000 0.218 414 A C 2.212 179.886 177.584 0.150 0.000 1.169 414 A CA 1.576 53.635 52.037 0.037 0.000 0.635 414 A CB -0.382 18.671 19.000 0.087 0.000 0.810 414 A HN 0.639 nan 8.150 nan 0.000 0.445 415 Q N -1.046 118.835 119.800 0.135 0.000 2.424 415 Q HA 0.257 4.601 4.340 0.006 0.000 0.204 415 Q C 1.766 177.822 176.000 0.093 0.000 0.933 415 Q CA 0.511 56.392 55.803 0.130 0.000 0.929 415 Q CB -0.181 28.642 28.738 0.141 0.000 1.037 415 Q HN 0.546 nan 8.270 nan 0.000 0.511 416 L N -0.344 120.913 121.223 0.056 0.000 2.162 416 L HA 0.048 4.391 4.340 0.006 0.000 0.205 416 L C 1.897 178.762 176.870 -0.010 0.000 1.086 416 L CA 0.666 55.439 54.840 -0.112 0.000 0.778 416 L CB -0.045 41.785 42.059 -0.381 0.000 0.928 416 L HN 0.254 nan 8.230 nan 0.000 0.446 417 F N 0.685 120.620 119.950 -0.025 0.000 2.206 417 F HA -0.192 4.338 4.527 0.006 0.000 0.298 417 F C 2.566 178.416 175.800 0.083 0.000 1.090 417 F CA 1.464 59.492 58.000 0.047 0.000 1.323 417 F CB 0.009 39.106 39.000 0.162 0.000 1.028 417 F HN -0.116 nan 8.300 nan 0.000 0.492 418 K N -0.581 119.963 120.400 0.239 0.000 2.148 418 K HA -0.122 4.202 4.320 0.006 0.000 0.204 418 K C 1.863 178.510 176.600 0.079 0.000 1.050 418 K CA 1.672 58.069 56.287 0.183 0.000 0.942 418 K CB -0.183 32.412 32.500 0.158 0.000 0.724 418 K HN 0.216 nan 8.250 nan 0.000 0.446 419 T N 1.680 116.250 114.554 0.026 0.000 2.701 419 T HA -0.088 4.266 4.350 0.006 0.000 0.263 419 T C 1.791 176.442 174.700 -0.081 0.000 1.040 419 T CA 1.131 63.217 62.100 -0.023 0.000 1.147 419 T CB -0.066 68.779 68.868 -0.038 0.000 0.865 419 T HN 0.147 nan 8.240 nan 0.000 0.426 420 L N -0.324 120.816 121.223 -0.140 0.000 2.156 420 L HA 0.088 4.432 4.340 0.006 0.000 0.208 420 L C 2.195 178.917 176.870 -0.246 0.000 1.095 420 L CA 0.868 55.581 54.840 -0.211 0.000 0.770 420 L CB -0.380 41.519 42.059 -0.266 0.000 0.914 420 L HN 0.196 nan 8.230 nan 0.000 0.439 421 F N 0.786 120.474 119.950 -0.437 0.000 2.259 421 F HA -0.103 4.427 4.527 0.006 0.000 0.298 421 F C 2.301 177.977 175.800 -0.207 0.000 1.088 421 F CA 1.298 59.061 58.000 -0.395 0.000 1.358 421 F CB -0.072 38.680 39.000 -0.413 0.000 1.040 421 F HN -0.155 nan 8.300 nan 0.000 0.505 422 K N 0.148 120.421 120.400 -0.212 0.000 2.288 422 K HA -0.148 4.176 4.320 0.006 0.000 0.201 422 K C 2.068 178.539 176.600 -0.215 0.000 1.048 422 K CA 0.805 56.958 56.287 -0.223 0.000 0.956 422 K CB -0.053 32.410 32.500 -0.062 0.000 0.746 422 K HN 0.239 nan 8.250 nan 0.000 0.461 423 K N 1.598 121.882 120.400 -0.193 0.000 2.062 423 K HA -0.088 4.236 4.320 0.006 0.000 0.205 423 K C 2.066 178.564 176.600 -0.170 0.000 1.051 423 K CA 0.860 57.055 56.287 -0.153 0.000 0.941 423 K CB 0.066 32.489 32.500 -0.130 0.000 0.719 423 K HN 0.173 nan 8.250 nan 0.000 0.440 424 L N -1.239 119.838 121.223 -0.243 0.000 2.477 424 L HA 0.126 4.470 4.340 0.006 0.000 0.220 424 L C 2.026 178.754 176.870 -0.237 0.000 1.106 424 L CA 0.833 55.547 54.840 -0.210 0.000 0.851 424 L CB -0.349 41.587 42.059 -0.205 0.000 0.994 424 L HN -0.015 nan 8.230 nan 0.000 0.462 425 T N 1.167 115.477 114.554 -0.408 0.000 2.788 425 T HA -0.185 4.169 4.350 0.006 0.000 0.268 425 T C 1.716 176.380 174.700 -0.061 0.000 1.044 425 T CA 2.043 63.952 62.100 -0.319 0.000 1.139 425 T CB -0.118 68.433 68.868 -0.530 0.000 0.867 425 T HN 0.675 nan 8.240 nan 0.000 0.454 426 K N -0.421 119.933 120.400 -0.077 0.000 2.444 426 K HA 0.096 4.419 4.320 0.006 0.000 0.193 426 K C 1.201 177.842 176.600 0.069 0.000 1.024 426 K CA 0.644 56.936 56.287 0.009 0.000 1.077 426 K CB 0.276 32.740 32.500 -0.058 0.000 0.833 426 K HN 0.146 nan 8.250 nan 0.000 0.517 427 D N 0.684 121.103 120.400 0.032 0.000 2.346 427 D HA 0.050 4.694 4.640 0.006 0.000 0.206 427 D C 1.433 177.796 176.300 0.106 0.000 1.001 427 D CA 0.352 54.382 54.000 0.050 0.000 0.871 427 D CB 0.397 41.190 40.800 -0.011 0.000 0.943 427 D HN 0.204 nan 8.370 nan 0.000 0.518 428 I N 0.014 120.663 120.570 0.132 0.000 2.852 428 I HA -0.073 4.101 4.170 0.006 0.000 0.264 428 I C 1.868 178.121 176.117 0.228 0.000 1.179 428 I CA 0.353 61.768 61.300 0.191 0.000 1.480 428 I CB -0.678 37.441 38.000 0.198 0.000 1.111 428 I HN -0.086 nan 8.210 nan 0.000 0.441 429 F N 1.673 121.669 119.950 0.076 0.000 2.259 429 F HA -0.050 4.481 4.527 0.006 0.000 0.298 429 F C 2.467 178.299 175.800 0.053 0.000 1.088 429 F CA 1.264 59.298 58.000 0.056 0.000 1.358 429 F CB -0.009 39.012 39.000 0.034 0.000 1.040 429 F HN -0.127 nan 8.300 nan 0.000 0.505 430 R N -1.663 118.979 120.500 0.236 0.000 2.317 430 R HA -0.049 4.294 4.340 0.006 0.000 0.208 430 R C 0.910 177.288 176.300 0.129 0.000 0.914 430 R CA 0.209 56.399 56.100 0.150 0.000 1.060 430 R CB -0.057 30.334 30.300 0.152 0.000 1.015 430 R HN 0.416 nan 8.270 nan 0.000 0.498 431 Y N -0.949 119.351 120.300 0.001 0.000 2.442 431 Y HA 0.189 4.742 4.550 0.006 0.000 0.250 431 Y C 1.665 177.537 175.900 -0.046 0.000 1.113 431 Y CA 0.170 58.262 58.100 -0.013 0.000 1.273 431 Y CB 0.383 38.848 38.460 0.008 0.000 1.138 431 Y HN -0.130 nan 8.280 nan 0.000 0.522 432 M N -0.272 119.257 119.600 -0.117 0.000 2.388 432 M HA -0.101 4.382 4.480 0.006 0.000 0.265 432 M C 1.683 177.812 176.300 -0.284 0.000 1.088 432 M CA 1.480 56.641 55.300 -0.231 0.000 1.134 432 M CB 0.224 32.681 32.600 -0.237 0.000 1.384 432 M HN 0.271 nan 8.290 nan 0.000 0.447 433 Q N -0.712 118.934 119.800 -0.257 0.000 2.212 433 Q HA -0.027 4.317 4.340 0.006 0.000 0.199 433 Q C 1.510 177.407 176.000 -0.171 0.000 0.950 433 Q CA 0.838 56.513 55.803 -0.213 0.000 0.863 433 Q CB 0.187 28.830 28.738 -0.157 0.000 0.944 433 Q HN 0.433 nan 8.270 nan 0.000 0.465 434 R N -0.263 120.130 120.500 -0.179 0.000 2.313 434 R HA 0.054 4.397 4.340 0.006 0.000 0.199 434 R C 1.541 177.714 176.300 -0.211 0.000 0.958 434 R CA 0.693 56.700 56.100 -0.155 0.000 1.047 434 R CB 0.268 30.508 30.300 -0.100 0.000 0.955 434 R HN 0.141 nan 8.270 nan 0.000 0.481 435 T N 0.292 114.677 114.554 -0.281 0.000 2.814 435 T HA -0.063 4.290 4.350 0.006 0.000 0.254 435 T C 0.977 175.577 174.700 -0.167 0.000 1.037 435 T CA 1.129 63.075 62.100 -0.255 0.000 1.143 435 T CB -0.112 68.576 68.868 -0.300 0.000 0.866 435 T HN 0.191 nan 8.240 nan 0.000 0.431 436 V N 0.650 120.466 119.914 -0.163 0.000 5.257 436 V HA -0.233 3.891 4.120 0.006 0.000 0.265 436 V C -0.335 175.690 176.094 -0.115 0.000 0.646 436 V CA 0.691 62.909 62.300 -0.136 0.000 0.650 436 V CB -2.605 29.151 31.823 -0.112 0.000 0.424 436 V HN 0.616 nan 8.190 nan 0.000 0.862 444 M N 1.224 120.868 119.600 0.073 0.000 2.247 444 M HA 0.407 4.891 4.480 0.006 0.000 0.191 444 M C 0.187 176.542 176.300 0.092 0.000 1.331 444 M CA 0.951 56.296 55.300 0.075 0.000 1.215 444 M CB -0.737 31.906 32.600 0.073 0.000 0.979 444 M HN -0.008 nan 8.290 nan 0.000 0.451 445 K N -0.356 120.119 120.400 0.125 0.000 2.340 445 K HA 0.477 4.801 4.320 0.006 0.000 0.244 445 K C -0.105 176.577 176.600 0.137 0.000 0.973 445 K CA -0.733 55.648 56.287 0.157 0.000 0.828 445 K CB 2.601 35.256 32.500 0.258 0.000 1.226 445 K HN -0.065 nan 8.250 nan 0.000 0.437 446 L N 1.499 122.775 121.223 0.089 0.000 2.399 446 L HA 0.174 4.517 4.340 0.006 0.000 0.206 446 L C 0.973 177.768 176.870 -0.124 0.000 1.261 446 L CA 1.692 56.545 54.840 0.022 0.000 2.863 446 L CB -0.671 41.398 42.059 0.017 0.000 2.728 446 L HN 0.947 nan 8.230 nan 0.000 1.097 447 A N -0.970 121.696 122.820 -0.256 0.000 2.767 447 A HA -0.242 4.081 4.320 0.006 0.000 0.282 447 A C 0.466 177.856 177.584 -0.324 0.000 1.416 447 A CA 1.119 52.856 52.037 -0.501 0.000 0.932 447 A CB -2.549 15.608 19.000 -1.406 0.000 0.979 447 A HN 0.327 nan 8.150 nan 0.000 0.616 448 I N 0.978 121.471 120.570 -0.129 0.000 2.294 448 I HA 0.137 4.310 4.170 0.006 0.000 0.295 448 I C 0.644 176.738 176.117 -0.038 0.000 1.098 448 I CA -0.244 61.031 61.300 -0.042 0.000 1.277 448 I CB 0.388 38.413 38.000 0.042 0.000 1.434 448 I HN 0.325 nan 8.210 nan 0.000 0.498 449 N N 5.479 124.141 118.700 -0.063 0.000 2.434 449 N HA 0.183 4.927 4.740 0.006 0.000 0.273 449 N C 0.998 176.480 175.510 -0.047 0.000 1.210 449 N CA 0.211 53.232 53.050 -0.049 0.000 0.992 449 N CB 0.841 39.292 38.487 -0.061 0.000 1.355 449 N HN 0.716 nan 8.380 nan 0.000 0.495 450 A N 4.566 127.380 122.820 -0.010 0.000 1.841 450 A HA -0.190 4.134 4.320 0.006 0.000 0.216 450 A C 2.025 179.589 177.584 -0.033 0.000 1.199 450 A CA 1.242 53.258 52.037 -0.036 0.000 0.621 450 A CB -0.629 18.456 19.000 0.142 0.000 0.835 450 A HN 0.692 nan 8.150 nan 0.000 0.445 451 K N -0.853 119.560 120.400 0.020 0.000 2.229 451 K HA -0.307 4.017 4.320 0.006 0.000 0.213 451 K C 1.923 178.506 176.600 -0.028 0.000 1.038 451 K CA 2.597 58.890 56.287 0.010 0.000 0.936 451 K CB -0.997 31.512 32.500 0.015 0.000 0.771 451 K HN 0.676 nan 8.250 nan 0.000 0.480 452 T N 1.343 115.863 114.554 -0.058 0.000 2.614 452 T HA -0.108 4.245 4.350 0.006 0.000 0.263 452 T C 2.120 176.755 174.700 -0.108 0.000 1.055 452 T CA 1.627 63.676 62.100 -0.086 0.000 1.162 452 T CB -0.318 68.486 68.868 -0.106 0.000 0.863 452 T HN 0.212 nan 8.240 nan 0.000 0.414 453 I N 1.419 121.905 120.570 -0.141 0.000 2.286 453 I HA -0.192 3.982 4.170 0.006 0.000 0.248 453 I C 2.734 178.794 176.117 -0.094 0.000 1.115 453 I CA 1.282 62.482 61.300 -0.167 0.000 1.392 453 I CB -0.950 36.916 38.000 -0.224 0.000 1.065 453 I HN 0.321 nan 8.210 nan 0.000 0.418 454 T N 0.414 114.931 114.554 -0.063 0.000 2.668 454 T HA -0.147 4.206 4.350 0.006 0.000 0.262 454 T C 2.003 176.704 174.700 0.001 0.000 1.045 454 T CA 2.037 64.130 62.100 -0.011 0.000 1.152 454 T CB -0.278 68.606 68.868 0.027 0.000 0.864 454 T HN 0.502 nan 8.240 nan 0.000 0.419 455 S N 0.845 116.546 115.700 0.002 0.000 2.496 455 S HA 0.149 4.623 4.470 0.006 0.000 0.224 455 S C 2.287 176.901 174.600 0.024 0.000 0.996 455 S CA 0.819 59.033 58.200 0.023 0.000 0.927 455 S CB -0.544 62.671 63.200 0.025 0.000 0.774 455 S HN 0.481 nan 8.310 nan 0.000 0.524 456 G N 1.972 110.758 108.800 -0.023 0.000 2.402 456 G HA2 0.031 3.995 3.960 0.006 0.000 0.216 456 G HA3 0.031 3.995 3.960 0.006 0.000 0.216 456 G C 1.403 176.267 174.900 -0.059 0.000 1.162 456 G CA 0.640 45.714 45.100 -0.044 0.000 0.777 456 G HN 0.486 nan 8.290 nan 0.000 0.539 457 L N -0.354 120.825 121.223 -0.072 0.000 2.109 457 L HA 0.040 4.383 4.340 0.006 0.000 0.207 457 L C 2.930 179.745 176.870 -0.092 0.000 1.086 457 L CA 0.983 55.760 54.840 -0.105 0.000 0.760 457 L CB -0.167 41.868 42.059 -0.040 0.000 0.910 457 L HN 0.187 nan 8.230 nan 0.000 0.437 458 K N -1.137 119.248 120.400 -0.025 0.000 2.155 458 K HA -0.199 4.125 4.320 0.006 0.000 0.203 458 K C 1.993 178.588 176.600 -0.009 0.000 1.052 458 K CA 1.177 57.460 56.287 -0.007 0.000 0.948 458 K CB -0.166 32.352 32.500 0.030 0.000 0.728 458 K HN 0.164 nan 8.250 nan 0.000 0.448 459 Y N 1.419 121.682 120.300 -0.062 0.000 2.114 459 Y HA -0.230 4.323 4.550 0.006 0.000 0.284 459 Y C 2.209 178.082 175.900 -0.046 0.000 1.143 459 Y CA 1.592 59.665 58.100 -0.046 0.000 1.135 459 Y CB -0.389 38.039 38.460 -0.053 0.000 0.980 459 Y HN 0.013 nan 8.280 nan 0.000 0.499 460 A N -0.215 122.528 122.820 -0.129 0.000 1.972 460 A HA -0.169 4.155 4.320 0.006 0.000 0.219 460 A C 2.051 179.600 177.584 -0.059 0.000 1.169 460 A CA 1.786 53.697 52.037 -0.209 0.000 0.635 460 A CB -1.012 17.672 19.000 -0.526 0.000 0.810 460 A HN 0.509 nan 8.150 nan 0.000 0.446 461 L N -1.435 119.744 121.223 -0.074 0.000 2.418 461 L HA 0.209 4.553 4.340 0.006 0.000 0.218 461 L C 2.453 179.336 176.870 0.021 0.000 1.125 461 L CA 1.381 56.254 54.840 0.054 0.000 0.835 461 L CB -0.369 41.656 42.059 -0.057 0.000 0.953 461 L HN 0.347 nan 8.230 nan 0.000 0.454 462 A N -2.277 120.499 122.820 -0.074 0.000 2.014 462 A HA 0.053 4.377 4.320 0.006 0.000 0.210 462 A C 2.055 179.572 177.584 -0.112 0.000 1.188 462 A CA 1.207 53.204 52.037 -0.067 0.000 0.731 462 A CB -0.428 18.535 19.000 -0.063 0.000 0.858 462 A HN 0.381 nan 8.150 nan 0.000 0.464 463 T N -1.291 113.109 114.554 -0.257 0.000 2.739 463 T HA 0.376 4.730 4.350 0.006 0.000 0.246 463 T C 1.616 176.268 174.700 -0.080 0.000 1.058 463 T CA 1.518 63.477 62.100 -0.235 0.000 1.184 463 T CB -0.326 68.250 68.868 -0.487 0.000 0.887 463 T HN 1.252 nan 8.240 nan 0.000 0.408 464 G N 0.973 109.758 108.800 -0.026 0.000 2.485 464 G HA2 -0.131 3.833 3.960 0.006 0.000 0.181 464 G HA3 -0.131 3.833 3.960 0.006 0.000 0.181 464 G C -0.254 174.722 174.900 0.127 0.000 0.999 464 G CA -0.650 44.490 45.100 0.066 0.000 0.721 464 G HN 0.380 nan 8.290 nan 0.000 0.486 465 N N 1.276 120.030 118.700 0.089 0.000 2.482 465 N HA 0.180 4.923 4.740 0.006 0.000 0.242 465 N C -0.559 175.103 175.510 0.253 0.000 1.100 465 N CA -0.358 52.795 53.050 0.172 0.000 0.946 465 N CB 0.344 38.952 38.487 0.202 0.000 1.227 465 N HN 0.416 nan 8.380 nan 0.000 0.508 466 W N 2.461 123.782 121.300 0.034 0.000 2.290 466 W HA 0.369 5.033 4.660 0.006 0.000 0.408 466 W C 0.213 176.763 176.519 0.052 0.000 0.966 466 W CA -0.294 57.070 57.345 0.031 0.000 1.579 466 W CB 0.157 29.622 29.460 0.008 0.000 1.662 466 W HN 0.655 nan 8.180 nan 0.000 0.341 467 G N 2.895 111.653 108.800 -0.070 0.000 4.511 467 G HA2 -0.144 3.819 3.960 0.006 0.000 0.220 467 G HA3 -0.144 3.819 3.960 0.006 0.000 0.220 467 G C -0.150 174.723 174.900 -0.045 0.000 0.733 467 G CA -0.186 44.881 45.100 -0.056 0.000 0.897 467 G HN 0.370 nan 8.290 nan 0.000 0.691 468 E N 0.671 120.882 120.200 0.020 0.000 7.284 468 E HA -0.260 4.093 4.350 0.006 0.000 0.335 468 E C 0.988 177.508 176.600 -0.134 0.000 0.856 468 E CA 1.221 57.619 56.400 -0.003 0.000 1.267 468 E CB -0.498 29.155 29.700 -0.079 0.000 0.931 468 E HN 1.605 nan 8.360 nan 0.000 0.275 469 Q N 1.786 121.375 119.800 -0.352 0.000 2.331 469 Q HA -0.313 4.030 4.340 0.006 0.000 0.269 469 Q C 0.039 175.966 176.000 -0.123 0.000 1.089 469 Q CA 2.555 58.165 55.803 -0.322 0.000 0.964 469 Q CB -0.989 27.512 28.738 -0.395 0.000 1.398 469 Q HN 0.659 nan 8.270 nan 0.000 0.545 470 K N 0.646 121.018 120.400 -0.046 0.000 2.273 470 K HA 0.046 4.370 4.320 0.006 0.000 0.206 470 K C 0.240 176.855 176.600 0.025 0.000 1.072 470 K CA 0.451 56.732 56.287 -0.010 0.000 0.953 470 K CB 0.364 32.864 32.500 0.001 0.000 1.043 470 K HN 0.410 nan 8.250 nan 0.000 0.477 471 K N 0.102 120.539 120.400 0.062 0.000 2.938 471 K HA -0.287 4.036 4.320 0.006 0.000 0.250 471 K C 0.423 177.058 176.600 0.059 0.000 0.939 471 K CA 1.102 57.438 56.287 0.082 0.000 0.694 471 K CB -2.360 30.199 32.500 0.098 0.000 1.267 471 K HN 0.217 nan 8.250 nan 0.000 0.483 472 A N 0.212 123.061 122.820 0.048 0.000 1.854 472 A HA 0.188 4.511 4.320 0.006 0.000 0.214 472 A C 1.000 178.613 177.584 0.047 0.000 1.192 472 A CA 1.341 53.401 52.037 0.039 0.000 0.611 472 A CB -0.111 18.908 19.000 0.031 0.000 0.832 472 A HN 0.468 nan 8.150 nan 0.000 0.442 473 M N 0.616 120.252 119.600 0.061 0.000 2.240 473 M HA 0.137 4.621 4.480 0.006 0.000 0.333 473 M C 1.070 177.411 176.300 0.069 0.000 1.110 473 M CA 0.329 55.669 55.300 0.067 0.000 1.173 473 M CB 0.569 33.220 32.600 0.084 0.000 1.458 473 M HN 0.265 nan 8.290 nan 0.000 0.458 474 S N -0.830 114.904 115.700 0.056 0.000 2.981 474 S HA -0.065 4.408 4.470 0.006 0.000 0.235 474 S C 1.332 175.965 174.600 0.055 0.000 0.983 474 S CA 0.231 58.459 58.200 0.047 0.000 1.051 474 S CB -1.232 61.986 63.200 0.031 0.000 0.814 474 S HN 0.835 nan 8.310 nan 0.000 0.518 475 S N 2.540 118.293 115.700 0.088 0.000 2.368 475 S HA -0.127 4.346 4.470 0.006 0.000 0.224 475 S C 1.742 176.406 174.600 0.106 0.000 1.029 475 S CA 0.383 58.657 58.200 0.124 0.000 0.988 475 S CB -0.611 62.720 63.200 0.218 0.000 0.838 475 S HN 0.526 nan 8.310 nan 0.000 0.462 476 R N 1.609 122.171 120.500 0.104 0.000 2.343 476 R HA -0.218 4.126 4.340 0.006 0.000 0.264 476 R C 2.144 178.473 176.300 0.048 0.000 1.212 476 R CA 1.060 57.210 56.100 0.082 0.000 1.037 476 R CB -0.997 29.345 30.300 0.070 0.000 0.874 476 R HN 0.597 nan 8.270 nan 0.000 0.489 477 A N 0.103 122.941 122.820 0.029 0.000 2.214 477 A HA -0.146 4.178 4.320 0.006 0.000 0.221 477 A C 1.331 178.910 177.584 -0.008 0.000 1.167 477 A CA 1.533 53.572 52.037 0.002 0.000 0.670 477 A CB -0.712 18.278 19.000 -0.017 0.000 0.797 477 A HN 0.622 nan 8.150 nan 0.000 0.477 478 G N -1.199 107.604 108.800 0.004 0.000 2.303 478 G HA2 -0.021 3.942 3.960 0.006 0.000 0.260 478 G HA3 -0.021 3.942 3.960 0.006 0.000 0.260 478 G C 0.056 174.932 174.900 -0.039 0.000 1.106 478 G CA 0.079 45.179 45.100 0.001 0.000 0.900 478 G HN 1.587 nan 8.290 nan 0.000 0.495 479 V N -1.732 118.124 119.914 -0.096 0.000 3.032 479 V HA 0.653 4.776 4.120 0.006 0.000 0.307 479 V C 1.308 177.335 176.094 -0.112 0.000 1.097 479 V CA 0.466 62.640 62.300 -0.210 0.000 1.191 479 V CB 1.229 32.741 31.823 -0.519 0.000 0.964 479 V HN 2.241 nan 8.190 nan 0.000 0.494 480 S N 1.850 117.493 115.700 -0.094 0.000 3.723 480 S HA -0.130 4.344 4.470 0.006 0.000 0.621 480 S C -0.314 174.323 174.600 0.062 0.000 0.618 480 S CA 0.698 58.920 58.200 0.038 0.000 1.427 480 S CB -0.882 62.393 63.200 0.126 0.000 0.882 480 S HN 1.026 nan 8.310 nan 0.000 0.913 481 Q N 1.267 121.125 119.800 0.096 0.000 2.418 481 Q HA 0.616 4.960 4.340 0.006 0.000 0.276 481 Q C 0.754 176.829 176.000 0.126 0.000 1.081 481 Q CA -0.676 55.202 55.803 0.125 0.000 0.864 481 Q CB 1.303 30.171 28.738 0.216 0.000 1.384 481 Q HN 0.675 nan 8.270 nan 0.000 0.467 482 V N 0.127 120.067 119.914 0.043 0.000 2.800 482 V HA 0.138 4.261 4.120 0.006 0.000 0.365 482 V C 0.995 177.032 176.094 -0.095 0.000 1.527 482 V CA 0.041 62.331 62.300 -0.016 0.000 1.623 482 V CB -1.901 29.894 31.823 -0.046 0.000 1.407 482 V HN 0.788 nan 8.190 nan 0.000 0.527 483 L N 0.457 121.658 121.223 -0.037 0.000 6.255 483 L HA -0.363 3.981 4.340 0.006 0.000 0.053 483 L C 0.507 177.122 176.870 -0.425 0.000 1.736 483 L CA 2.207 56.969 54.840 -0.130 0.000 1.818 483 L CB -0.283 41.633 42.059 -0.238 0.000 2.566 483 L HN 0.938 nan 8.230 nan 0.000 0.975 484 N N -1.509 116.979 118.700 -0.353 0.000 4.849 484 N HA 0.274 5.018 4.740 0.006 0.000 0.165 484 N C -1.197 174.171 175.510 -0.237 0.000 1.128 484 N CA -0.460 52.381 53.050 -0.348 0.000 1.014 484 N CB 0.354 38.562 38.487 -0.465 0.000 1.597 484 N HN 0.399 nan 8.380 nan 0.000 0.955 485 R N 2.428 122.770 120.500 -0.263 0.000 2.816 485 R HA 0.280 4.623 4.340 0.006 0.000 0.382 485 R C -0.154 175.862 176.300 -0.473 0.000 1.140 485 R CA -0.246 55.614 56.100 -0.401 0.000 1.050 485 R CB -0.304 29.637 30.300 -0.597 0.000 1.396 485 R HN 0.553 nan 8.270 nan 0.000 0.583 486 Y N -0.935 119.176 120.300 -0.315 0.000 2.301 486 Y HA 0.207 4.761 4.550 0.005 0.000 0.295 486 Y C 0.224 176.090 175.900 -0.058 0.000 1.119 486 Y CA 0.893 58.865 58.100 -0.213 0.000 1.162 486 Y CB 0.884 39.261 38.460 -0.138 0.000 1.046 486 Y HN -0.070 nan 8.280 nan 0.000 0.538 487 T N -1.730 112.864 114.554 0.067 0.000 2.864 487 T HA 0.106 4.460 4.350 0.006 0.000 0.299 487 T C -0.246 174.567 174.700 0.188 0.000 1.166 487 T CA -0.499 61.675 62.100 0.123 0.000 1.007 487 T CB 1.253 70.191 68.868 0.116 0.000 1.219 487 T HN 0.074 nan 8.240 nan 0.000 0.506 488 Y N 2.161 122.511 120.300 0.083 0.000 2.293 488 Y HA -0.095 4.458 4.550 0.006 0.000 0.291 488 Y C 2.500 178.437 175.900 0.063 0.000 1.137 488 Y CA 1.942 60.080 58.100 0.064 0.000 1.202 488 Y CB -0.526 37.925 38.460 -0.016 0.000 0.990 488 Y HN 0.679 nan 8.280 nan 0.000 0.537 489 S N -1.889 113.827 115.700 0.027 0.000 2.395 489 S HA -0.153 4.321 4.470 0.006 0.000 0.225 489 S C 2.306 176.868 174.600 -0.063 0.000 1.027 489 S CA 0.966 59.116 58.200 -0.082 0.000 0.965 489 S CB -0.974 62.243 63.200 0.029 0.000 0.812 489 S HN 0.407 nan 8.310 nan 0.000 0.482 490 S N 1.827 117.533 115.700 0.010 0.000 2.359 490 S HA -0.162 4.312 4.470 0.006 0.000 0.223 490 S C 1.975 176.564 174.600 -0.017 0.000 1.039 490 S CA 2.124 60.328 58.200 0.007 0.000 1.042 490 S CB -1.323 61.900 63.200 0.039 0.000 0.915 490 S HN 0.741 nan 8.310 nan 0.000 0.439 491 T N 3.235 117.770 114.554 -0.032 0.000 2.597 491 T HA -0.180 4.173 4.350 0.006 0.000 0.267 491 T C 1.719 176.386 174.700 -0.055 0.000 1.053 491 T CA 1.857 63.931 62.100 -0.043 0.000 1.165 491 T CB -0.817 68.048 68.868 -0.006 0.000 0.863 491 T HN 0.312 nan 8.240 nan 0.000 0.427 492 L N 1.248 122.375 121.223 -0.159 0.000 1.957 492 L HA -0.209 4.135 4.340 0.006 0.000 0.228 492 L C 2.759 179.586 176.870 -0.072 0.000 1.086 492 L CA 2.061 56.807 54.840 -0.156 0.000 0.796 492 L CB -0.816 41.096 42.059 -0.245 0.000 0.900 492 L HN 0.378 nan 8.230 nan 0.000 0.439 493 S N -2.376 113.285 115.700 -0.064 0.000 2.603 493 S HA -0.151 4.322 4.470 0.006 0.000 0.229 493 S C 1.673 176.267 174.600 -0.009 0.000 0.972 493 S CA 0.385 58.555 58.200 -0.049 0.000 0.935 493 S CB -0.634 62.532 63.200 -0.058 0.000 0.769 493 S HN 0.467 nan 8.310 nan 0.000 0.536 494 H N 1.174 120.199 119.070 -0.075 0.000 2.384 494 H HA 0.238 4.797 4.556 0.006 0.000 0.300 494 H C 1.538 176.832 175.328 -0.057 0.000 1.057 494 H CA 0.944 56.953 56.048 -0.065 0.000 1.370 494 H CB -0.010 29.711 29.762 -0.068 0.000 1.417 494 H HN 0.388 nan 8.280 nan 0.000 0.527 495 L N 0.643 121.842 121.223 -0.040 0.000 2.551 495 L HA -0.020 4.324 4.340 0.006 0.000 0.228 495 L C 1.235 178.048 176.870 -0.094 0.000 1.153 495 L CA 0.736 55.535 54.840 -0.069 0.000 0.851 495 L CB 0.108 42.167 42.059 0.000 0.000 0.959 495 L HN 0.074 nan 8.230 nan 0.000 0.451 496 R N -0.351 120.089 120.500 -0.100 0.000 2.935 496 R HA 0.255 4.599 4.340 0.006 0.000 0.354 496 R C 0.054 176.286 176.300 -0.113 0.000 1.206 496 R CA -0.204 55.841 56.100 -0.092 0.000 1.082 496 R CB 0.343 30.602 30.300 -0.069 0.000 1.431 496 R HN 0.111 nan 8.270 nan 0.000 0.582 497 R N 0.019 120.425 120.500 -0.156 0.000 2.720 497 R HA 0.420 4.763 4.340 0.006 0.000 0.272 497 R C -0.761 175.462 176.300 -0.128 0.000 0.991 497 R CA -0.200 55.809 56.100 -0.153 0.000 1.010 497 R CB 1.789 31.959 30.300 -0.218 0.000 1.141 497 R HN -0.086 nan 8.270 nan 0.000 0.494 498 T N 1.833 116.328 114.554 -0.100 0.000 2.921 498 T HA 0.279 4.633 4.350 0.006 0.000 0.297 498 T C -1.417 173.244 174.700 -0.065 0.000 1.013 498 T CA -0.688 61.371 62.100 -0.069 0.000 0.990 498 T CB 1.279 70.130 68.868 -0.029 0.000 1.023 498 T HN 0.543 nan 8.240 nan 0.000 0.447 499 N N 1.589 120.251 118.700 -0.063 0.000 2.399 499 N HA 0.515 5.259 4.740 0.006 0.000 0.280 499 N C -1.169 174.320 175.510 -0.035 0.000 1.008 499 N CA -0.431 52.587 53.050 -0.054 0.000 0.894 499 N CB 1.177 39.622 38.487 -0.069 0.000 1.273 499 N HN 0.492 nan 8.380 nan 0.000 0.486 500 T N 3.096 117.638 114.554 -0.020 0.000 2.779 500 T HA 0.543 4.897 4.350 0.006 0.000 0.280 500 T C -2.377 172.316 174.700 -0.011 0.000 0.987 500 T CA -1.230 60.866 62.100 -0.007 0.000 0.966 500 T CB 1.660 70.537 68.868 0.015 0.000 0.933 500 T HN 0.364 nan 8.240 nan 0.000 0.442 501 P HA 0.562 nan 4.420 nan 0.000 0.323 501 P C -0.464 176.832 177.300 -0.007 0.000 1.309 501 P CA -0.672 62.423 63.100 -0.009 0.000 0.739 501 P CB 0.471 32.167 31.700 -0.007 0.000 1.454 502 I N -2.341 118.225 120.570 -0.007 0.000 3.861 502 I HA 0.774 4.948 4.170 0.006 0.000 0.262 502 I C 0.952 177.062 176.117 -0.011 0.000 1.269 502 I CA -0.717 60.578 61.300 -0.010 0.000 1.140 502 I CB 0.278 38.272 38.000 -0.010 0.000 1.424 502 I HN 0.473 nan 8.210 nan 0.000 0.527 503 G N -0.625 108.165 108.800 -0.016 0.000 2.827 503 G HA2 0.731 4.695 3.960 0.006 0.000 0.296 503 G HA3 0.731 4.695 3.960 0.006 0.000 0.296 503 G C -1.258 173.625 174.900 -0.028 0.000 1.362 503 G CA -0.449 44.636 45.100 -0.025 0.000 0.809 503 G HN 0.606 nan 8.290 nan 0.000 0.522 504 R N -1.208 119.268 120.500 -0.041 0.000 3.315 504 R HA 0.488 4.832 4.340 0.006 0.000 0.239 504 R C -0.466 175.803 176.300 -0.051 0.000 1.532 504 R CA 0.368 56.443 56.100 -0.041 0.000 1.033 504 R CB 0.131 30.404 30.300 -0.045 0.000 1.586 504 R HN 0.601 nan 8.270 nan 0.000 0.512 505 D N -1.454 118.914 120.400 -0.054 0.000 2.433 505 D HA 0.245 4.889 4.640 0.006 0.000 0.211 505 D C 0.905 177.174 176.300 -0.052 0.000 1.114 505 D CA 0.136 54.111 54.000 -0.042 0.000 0.837 505 D CB 0.626 41.410 40.800 -0.027 0.000 0.984 505 D HN 0.576 nan 8.370 nan 0.000 0.505 506 G N 0.592 109.345 108.800 -0.078 0.000 2.600 506 G HA2 0.355 4.319 3.960 0.006 0.000 0.225 506 G HA3 0.355 4.319 3.960 0.006 0.000 0.225 506 G C -0.218 174.631 174.900 -0.084 0.000 1.623 506 G CA 0.136 45.182 45.100 -0.090 0.000 0.903 506 G HN 0.444 nan 8.290 nan 0.000 0.574 507 K N -1.862 118.474 120.400 -0.106 0.000 2.688 507 K HA 0.499 4.823 4.320 0.006 0.000 0.270 507 K C -0.939 175.602 176.600 -0.099 0.000 1.013 507 K CA -0.801 55.433 56.287 -0.088 0.000 0.924 507 K CB 0.361 32.824 32.500 -0.062 0.000 1.378 507 K HN 0.659 nan 8.250 nan 0.000 0.402 508 L N 0.350 121.518 121.223 -0.091 0.000 1.714 508 L HA 0.066 4.410 4.340 0.006 0.000 0.484 508 L C -1.352 175.453 176.870 -0.107 0.000 1.002 508 L CA 0.690 55.482 54.840 -0.080 0.000 1.207 508 L CB -0.500 41.523 42.059 -0.061 0.000 1.513 508 L HN 1.249 nan 8.230 nan 0.000 0.810 509 A N 3.614 126.380 122.820 -0.090 0.000 2.594 509 A HA 0.737 5.060 4.320 0.006 0.000 0.295 509 A C -1.104 176.456 177.584 -0.041 0.000 1.071 509 A CA -0.730 51.270 52.037 -0.061 0.000 0.685 509 A CB 1.950 20.910 19.000 -0.066 0.000 1.285 509 A HN 0.368 nan 8.150 nan 0.000 0.405 510 K N 2.289 122.675 120.400 -0.024 0.000 2.262 510 K HA 0.365 4.688 4.320 0.006 0.000 0.288 510 K C -1.852 174.748 176.600 -0.000 0.000 1.090 510 K CA -2.373 53.908 56.287 -0.011 0.000 0.918 510 K CB 0.626 33.125 32.500 -0.001 0.000 1.139 510 K HN 0.421 nan 8.250 nan 0.000 0.462 511 P HA 0.056 nan 4.420 nan 0.000 0.245 511 P C 0.279 177.593 177.300 0.024 0.000 1.203 511 P CA 0.468 63.577 63.100 0.015 0.000 0.792 511 P CB 0.465 32.169 31.700 0.007 0.000 0.997 512 R N -0.555 119.951 120.500 0.010 0.000 2.161 512 R HA 0.073 4.417 4.340 0.006 0.000 0.213 512 R C 1.122 177.426 176.300 0.007 0.000 1.055 512 R CA 0.230 56.330 56.100 0.001 0.000 0.996 512 R CB -0.559 29.736 30.300 -0.008 0.000 0.901 512 R HN 0.222 nan 8.270 nan 0.000 0.456 513 Q N 1.681 121.497 119.800 0.027 0.000 2.337 513 Q HA 0.075 4.419 4.340 0.006 0.000 0.270 513 Q C -0.784 175.268 176.000 0.088 0.000 1.002 513 Q CA -0.177 55.651 55.803 0.042 0.000 0.888 513 Q CB 0.847 29.615 28.738 0.050 0.000 1.222 513 Q HN 0.055 nan 8.270 nan 0.000 0.400 514 L N 4.458 125.727 121.223 0.077 0.000 2.500 514 L HA 0.158 4.502 4.340 0.006 0.000 0.272 514 L C -0.879 176.130 176.870 0.230 0.000 1.149 514 L CA 0.383 55.317 54.840 0.155 0.000 0.897 514 L CB -0.016 42.076 42.059 0.054 0.000 1.178 514 L HN 0.651 nan 8.230 nan 0.000 0.473 515 H N 3.797 122.991 119.070 0.207 0.000 2.496 515 H HA 0.381 4.940 4.556 0.006 0.000 0.342 515 H C 0.963 176.200 175.328 -0.152 0.000 1.170 515 H CA -0.074 55.920 56.048 -0.090 0.000 1.274 515 H CB 0.938 30.519 29.762 -0.302 0.000 1.538 515 H HN 0.734 nan 8.280 nan 0.000 0.542 516 N N 0.899 119.100 118.700 -0.831 0.000 2.036 516 N HA -0.201 4.543 4.740 0.006 0.000 0.195 516 N C 1.461 176.756 175.510 -0.357 0.000 1.037 516 N CA 2.238 54.980 53.050 -0.514 0.000 0.855 516 N CB -0.436 37.721 38.487 -0.550 0.000 1.033 516 N HN 0.794 nan 8.380 nan 0.000 0.423 517 T N -0.661 113.600 114.554 -0.488 0.000 2.969 517 T HA -0.156 4.198 4.350 0.006 0.000 0.271 517 T C 1.416 176.032 174.700 -0.140 0.000 1.127 517 T CA 1.065 63.026 62.100 -0.233 0.000 1.102 517 T CB -0.475 68.242 68.868 -0.251 0.000 0.855 517 T HN 0.290 nan 8.240 nan 0.000 0.536 518 H N -0.495 118.519 119.070 -0.092 0.000 2.457 518 H HA 0.033 4.592 4.556 0.006 0.000 0.294 518 H C 1.025 176.297 175.328 -0.093 0.000 1.064 518 H CA 0.279 56.196 56.048 -0.218 0.000 1.330 518 H CB -0.659 28.945 29.762 -0.264 0.000 1.395 518 H HN 0.578 nan 8.280 nan 0.000 0.541 519 W N 2.724 123.989 121.300 -0.059 0.000 2.595 519 W HA -0.079 4.585 4.660 0.006 0.000 0.362 519 W C 0.777 177.262 176.519 -0.058 0.000 1.109 519 W CA 1.768 59.074 57.345 -0.065 0.000 1.150 519 W CB -0.434 28.976 29.460 -0.085 0.000 1.185 519 W HN 0.537 nan 8.180 nan 0.000 0.587 520 G N 3.720 112.176 108.800 -0.572 0.000 2.199 520 G HA2 -0.332 3.632 3.960 0.006 0.000 0.254 520 G HA3 -0.332 3.632 3.960 0.006 0.000 0.254 520 G C 0.636 175.394 174.900 -0.236 0.000 0.982 520 G CA 0.484 45.295 45.100 -0.481 0.000 0.632 520 G HN 0.572 nan 8.290 nan 0.000 0.529 521 L N -1.039 120.096 121.223 -0.147 0.000 2.600 521 L HA 0.426 4.770 4.340 0.006 0.000 0.213 521 L C 0.621 177.417 176.870 -0.122 0.000 1.045 521 L CA 0.279 55.071 54.840 -0.081 0.000 0.863 521 L CB 0.488 42.593 42.059 0.078 0.000 1.189 521 L HN 0.079 nan 8.230 nan 0.000 0.484 522 V N 0.076 119.871 119.914 -0.198 0.000 2.540 522 V HA 0.214 4.338 4.120 0.006 0.000 0.302 522 V C -0.228 175.719 176.094 -0.245 0.000 1.035 522 V CA -1.077 61.063 62.300 -0.267 0.000 0.873 522 V CB 2.439 33.956 31.823 -0.510 0.000 0.992 522 V HN 0.255 nan 8.190 nan 0.000 0.428 523 C N 8.650 127.826 119.300 -0.207 0.000 2.538 523 C HA 0.140 4.603 4.460 0.006 0.000 0.408 523 C C 0.072 174.959 174.990 -0.171 0.000 1.421 523 C CA -0.450 58.463 59.018 -0.174 0.000 1.642 523 C CB 0.316 27.968 27.740 -0.146 0.000 2.553 523 C HN 0.851 nan 8.230 nan 0.000 0.604 524 P HA -0.004 nan 4.420 nan 0.000 0.220 524 P C 0.947 178.190 177.300 -0.096 0.000 1.152 524 P CA 2.001 65.045 63.100 -0.094 0.000 0.812 524 P CB 0.125 31.802 31.700 -0.039 0.000 0.792 525 A N 0.117 122.879 122.820 -0.097 0.000 1.920 525 A HA 0.028 4.351 4.320 0.006 0.000 0.209 525 A C 1.398 178.913 177.584 -0.115 0.000 1.229 525 A CA 0.084 52.062 52.037 -0.098 0.000 0.671 525 A CB -0.832 18.117 19.000 -0.085 0.000 0.886 525 A HN 0.125 nan 8.150 nan 0.000 0.461 526 E N 1.013 121.146 120.200 -0.112 0.000 2.220 526 E HA 0.337 4.690 4.350 0.006 0.000 0.272 526 E C -0.676 175.860 176.600 -0.108 0.000 1.099 526 E CA 0.191 56.529 56.400 -0.104 0.000 0.907 526 E CB 0.125 29.765 29.700 -0.100 0.000 1.022 526 E HN 0.296 nan 8.360 nan 0.000 0.428 527 T N 4.317 118.812 114.554 -0.098 0.000 2.893 527 T HA 0.347 4.700 4.350 0.006 0.000 0.337 527 T C -2.883 171.777 174.700 -0.066 0.000 1.587 527 T CA -1.428 60.618 62.100 -0.089 0.000 1.066 527 T CB 1.502 70.308 68.868 -0.103 0.000 1.414 527 T HN 0.253 nan 8.240 nan 0.000 0.488 528 P HA 0.449 nan 4.420 nan 0.000 0.278 528 P C -0.973 176.316 177.300 -0.019 0.000 1.238 528 P CA -0.286 62.800 63.100 -0.024 0.000 0.794 528 P CB 0.683 32.371 31.700 -0.019 0.000 0.955 529 E N 0.649 120.855 120.200 0.010 0.000 2.277 529 E HA 0.520 4.873 4.350 0.006 0.000 0.274 529 E C 1.130 177.742 176.600 0.021 0.000 1.022 529 E CA -0.231 56.186 56.400 0.028 0.000 0.853 529 E CB 0.313 30.076 29.700 0.106 0.000 1.086 529 E HN 0.757 nan 8.360 nan 0.000 0.397 530 G N 1.807 110.617 108.800 0.017 0.000 2.536 530 G HA2 -0.460 3.504 3.960 0.006 0.000 0.280 530 G HA3 -0.460 3.504 3.960 0.006 0.000 0.280 530 G C 0.967 175.866 174.900 -0.003 0.000 1.152 530 G CA 0.494 45.599 45.100 0.007 0.000 0.970 530 G HN 0.642 nan 8.290 nan 0.000 0.549 531 Q N -0.673 119.124 119.800 -0.006 0.000 2.114 531 Q HA -0.238 4.106 4.340 0.006 0.000 0.218 531 Q C 2.194 178.187 176.000 -0.011 0.000 1.064 531 Q CA 3.015 58.812 55.803 -0.009 0.000 0.926 531 Q CB -0.470 28.262 28.738 -0.010 0.000 1.067 531 Q HN 1.792 nan 8.270 nan 0.000 0.439 532 A N -0.308 122.503 122.820 -0.014 0.000 2.985 532 A HA 0.286 4.609 4.320 0.006 0.000 0.303 532 A C -0.557 177.012 177.584 -0.025 0.000 1.048 532 A CA -0.557 51.469 52.037 -0.018 0.000 1.016 532 A CB 0.295 19.284 19.000 -0.020 0.000 1.118 532 A HN 0.489 nan 8.150 nan 0.000 0.529 533 C N 0.543 119.830 119.300 -0.022 0.000 2.651 533 C HA 0.466 4.930 4.460 0.006 0.000 0.410 533 C C 1.890 176.858 174.990 -0.037 0.000 1.372 533 C CA 1.535 60.535 59.018 -0.030 0.000 1.707 533 C CB -1.534 26.193 27.740 -0.023 0.000 2.501 533 C HN 1.867 nan 8.230 nan 0.000 0.598 534 G N 4.929 113.696 108.800 -0.054 0.000 2.284 534 G HA2 -0.300 3.664 3.960 0.006 0.000 0.261 534 G HA3 -0.300 3.664 3.960 0.006 0.000 0.261 534 G C 0.701 175.567 174.900 -0.056 0.000 0.997 534 G CA 0.759 45.821 45.100 -0.065 0.000 0.621 534 G HN 0.743 nan 8.290 nan 0.000 0.534 535 L N 0.018 121.218 121.223 -0.039 0.000 2.109 535 L HA 0.200 4.543 4.340 0.006 0.000 0.207 535 L C 1.619 178.466 176.870 -0.039 0.000 1.086 535 L CA 0.695 55.517 54.840 -0.029 0.000 0.760 535 L CB -0.180 41.867 42.059 -0.021 0.000 0.910 535 L HN 0.197 nan 8.230 nan 0.000 0.437 536 V N 1.619 121.504 119.914 -0.049 0.000 2.546 536 V HA 0.211 4.334 4.120 0.006 0.000 0.284 536 V C -0.059 175.984 176.094 -0.084 0.000 1.050 536 V CA -0.384 61.881 62.300 -0.059 0.000 0.981 536 V CB 1.306 33.097 31.823 -0.052 0.000 0.990 536 V HN 0.230 nan 8.190 nan 0.000 0.474 537 K N 3.803 124.148 120.400 -0.093 0.000 2.508 537 K HA 0.560 4.883 4.320 0.006 0.000 0.260 537 K C -1.440 175.091 176.600 -0.114 0.000 0.949 537 K CA -0.902 55.309 56.287 -0.127 0.000 0.834 537 K CB 2.087 34.474 32.500 -0.188 0.000 1.365 537 K HN 0.423 nan 8.250 nan 0.000 0.437 538 N N 1.361 119.986 118.700 -0.126 0.000 2.384 538 N HA 0.476 5.220 4.740 0.006 0.000 0.301 538 N C -0.552 174.886 175.510 -0.120 0.000 1.133 538 N CA -0.697 52.286 53.050 -0.111 0.000 0.853 538 N CB 1.720 40.145 38.487 -0.103 0.000 1.241 538 N HN 0.525 nan 8.380 nan 0.000 0.502 539 L N -0.600 120.563 121.223 -0.099 0.000 2.295 539 L HA 0.576 4.920 4.340 0.006 0.000 0.285 539 L C 1.094 177.904 176.870 -0.100 0.000 1.035 539 L CA -0.993 53.788 54.840 -0.098 0.000 0.806 539 L CB 1.163 43.181 42.059 -0.069 0.000 1.214 539 L HN 0.471 nan 8.230 nan 0.000 0.426 540 S N 2.734 118.359 115.700 -0.125 0.000 2.586 540 S HA 0.065 4.539 4.470 0.006 0.000 0.256 540 S C 1.082 175.629 174.600 -0.089 0.000 1.392 540 S CA -0.183 57.941 58.200 -0.126 0.000 0.983 540 S CB 0.333 63.424 63.200 -0.181 0.000 0.897 540 S HN 0.734 nan 8.310 nan 0.000 0.566 541 L N -0.151 121.036 121.223 -0.059 0.000 2.201 541 L HA 0.059 4.403 4.340 0.006 0.000 0.212 541 L C 2.204 179.109 176.870 0.059 0.000 1.105 541 L CA 1.156 56.034 54.840 0.064 0.000 0.775 541 L CB -0.363 41.785 42.059 0.149 0.000 0.913 541 L HN 0.688 nan 8.230 nan 0.000 0.440 542 M N -0.890 118.590 119.600 -0.200 0.000 2.405 542 M HA 0.126 4.610 4.480 0.006 0.000 0.292 542 M C 0.439 176.492 176.300 -0.412 0.000 1.111 542 M CA -0.147 54.829 55.300 -0.540 0.000 0.979 542 M CB 0.621 32.730 32.600 -0.819 0.000 1.426 542 M HN 0.134 nan 8.290 nan 0.000 0.509 543 S N -0.206 115.358 115.700 -0.228 0.000 2.562 543 S HA 0.579 5.053 4.470 0.006 0.000 0.275 543 S C -0.193 174.273 174.600 -0.223 0.000 1.281 543 S CA -0.777 57.285 58.200 -0.231 0.000 1.045 543 S CB 1.324 64.421 63.200 -0.172 0.000 0.962 543 S HN 0.360 nan 8.310 nan 0.000 0.503 544 C N 1.795 120.831 119.300 -0.440 0.000 3.108 544 C HA 0.688 5.152 4.460 0.006 0.000 0.321 544 C C -0.320 174.217 174.990 -0.755 0.000 1.357 544 C CA -1.016 57.703 59.018 -0.497 0.000 1.562 544 C CB 0.590 28.119 27.740 -0.352 0.000 2.003 544 C HN 0.920 nan 8.230 nan 0.000 0.460 545 I N 1.838 122.157 120.570 -0.418 0.000 2.406 545 I HA 0.310 4.484 4.170 0.006 0.000 0.290 545 I C 0.599 176.725 176.117 0.015 0.000 0.999 545 I CA 0.235 61.381 61.300 -0.256 0.000 1.124 545 I CB 1.783 39.716 38.000 -0.111 0.000 1.289 545 I HN 0.847 nan 8.210 nan 0.000 0.441 546 S N 4.867 120.711 115.700 0.239 0.000 2.573 546 S HA -0.011 4.462 4.470 0.006 0.000 0.297 546 S C 0.642 175.333 174.600 0.152 0.000 1.280 546 S CA -0.313 58.100 58.200 0.355 0.000 1.061 546 S CB 1.183 64.533 63.200 0.250 0.000 0.812 546 S HN 0.563 nan 8.310 nan 0.000 0.500 547 V N 3.332 123.319 119.914 0.121 0.000 3.565 547 V HA 0.459 4.583 4.120 0.006 0.000 0.260 547 V C 1.063 177.162 176.094 0.009 0.000 1.231 547 V CA 1.078 63.408 62.300 0.051 0.000 1.100 547 V CB -0.742 31.102 31.823 0.036 0.000 0.807 547 V HN 1.811 nan 8.190 nan 0.000 0.454 548 G N 1.024 109.830 108.800 0.010 0.000 3.383 548 G HA2 -0.122 3.841 3.960 0.006 0.000 0.685 548 G HA3 -0.122 3.841 3.960 0.006 0.000 0.685 548 G C -0.336 174.533 174.900 -0.053 0.000 1.104 548 G CA -0.100 44.995 45.100 -0.008 0.000 0.957 548 G HN 0.466 nan 8.290 nan 0.000 0.461 549 T N 1.599 116.126 114.554 -0.045 0.000 2.948 549 T HA 0.587 4.940 4.350 0.006 0.000 0.285 549 T C 0.092 174.766 174.700 -0.043 0.000 1.019 549 T CA -0.292 61.767 62.100 -0.070 0.000 1.013 549 T CB 1.710 70.535 68.868 -0.071 0.000 1.117 549 T HN 0.705 nan 8.240 nan 0.000 0.533 550 D N 1.670 122.045 120.400 -0.043 0.000 2.348 550 D HA 0.228 4.872 4.640 0.006 0.000 0.253 550 D C -1.344 174.941 176.300 -0.025 0.000 1.161 550 D CA -1.967 52.021 54.000 -0.020 0.000 0.876 550 D CB 1.056 41.852 40.800 -0.007 0.000 1.160 550 D HN 0.118 nan 8.370 nan 0.000 0.459 551 P HA 0.090 nan 4.420 nan 0.000 0.261 551 P C 1.098 178.372 177.300 -0.044 0.000 1.268 551 P CA 0.258 63.342 63.100 -0.026 0.000 0.833 551 P CB 0.281 31.979 31.700 -0.002 0.000 1.231 552 M N 0.514 120.094 119.600 -0.032 0.000 2.388 552 M HA 0.078 4.561 4.480 0.006 0.000 0.265 552 M C -0.798 175.484 176.300 -0.031 0.000 1.088 552 M CA 1.161 56.440 55.300 -0.036 0.000 1.134 552 M CB -1.025 31.565 32.600 -0.017 0.000 1.384 552 M HN -0.087 nan 8.290 nan 0.000 0.447 553 P HA 0.031 nan 4.420 nan 0.000 0.253 553 P C 0.801 178.091 177.300 -0.016 0.000 1.260 553 P CA 0.843 63.936 63.100 -0.012 0.000 0.800 553 P CB -0.100 31.587 31.700 -0.022 0.000 1.162 554 I N -1.019 119.524 120.570 -0.045 0.000 3.081 554 I HA -0.029 4.144 4.170 0.006 0.000 0.274 554 I C 2.268 178.362 176.117 -0.039 0.000 1.178 554 I CA 0.363 61.632 61.300 -0.052 0.000 1.460 554 I CB -0.829 37.116 38.000 -0.091 0.000 1.137 554 I HN -0.127 nan 8.210 nan 0.000 0.443 555 I N 1.331 121.835 120.570 -0.109 0.000 2.179 555 I HA -0.202 3.971 4.170 0.006 0.000 0.242 555 I C 2.552 178.636 176.117 -0.056 0.000 1.088 555 I CA 1.459 62.651 61.300 -0.180 0.000 1.357 555 I CB -2.047 35.787 38.000 -0.277 0.000 1.051 555 I HN 0.153 nan 8.210 nan 0.000 0.409 556 T N 1.306 115.857 114.554 -0.004 0.000 2.759 556 T HA -0.222 4.132 4.350 0.006 0.000 0.269 556 T C 1.749 176.506 174.700 0.095 0.000 1.042 556 T CA 1.631 63.755 62.100 0.040 0.000 1.140 556 T CB -0.471 68.427 68.868 0.049 0.000 0.864 556 T HN 0.297 nan 8.240 nan 0.000 0.455 557 F N 1.039 120.974 119.950 -0.025 0.000 2.163 557 F HA 0.115 4.645 4.527 0.006 0.000 0.297 557 F C 1.875 177.700 175.800 0.042 0.000 1.094 557 F CA 0.849 58.846 58.000 -0.004 0.000 1.290 557 F CB -0.264 38.661 39.000 -0.125 0.000 1.017 557 F HN 0.038 nan 8.300 nan 0.000 0.483 558 L N -0.019 121.279 121.223 0.125 0.000 1.989 558 L HA -0.253 4.090 4.340 0.006 0.000 0.211 558 L C 2.742 179.635 176.870 0.038 0.000 1.071 558 L CA 1.744 56.616 54.840 0.054 0.000 0.749 558 L CB -1.152 40.915 42.059 0.013 0.000 0.890 558 L HN 0.305 nan 8.230 nan 0.000 0.431 559 S N -1.045 114.663 115.700 0.014 0.000 2.474 559 S HA -0.144 4.330 4.470 0.006 0.000 0.235 559 S C 1.430 176.033 174.600 0.005 0.000 0.997 559 S CA 0.798 59.005 58.200 0.011 0.000 0.949 559 S CB -0.277 62.918 63.200 -0.008 0.000 0.766 559 S HN 0.478 nan 8.310 nan 0.000 0.517 560 E N -0.830 119.372 120.200 0.003 0.000 2.419 560 E HA 0.144 4.498 4.350 0.006 0.000 0.190 560 E C -0.893 175.670 176.600 -0.062 0.000 1.040 560 E CA -0.232 56.151 56.400 -0.029 0.000 0.900 560 E CB 0.188 29.886 29.700 -0.003 0.000 1.054 560 E HN 0.709 nan 8.360 nan 0.000 0.462 561 W N -0.098 121.046 121.300 -0.260 0.000 1.398 561 W HA 0.275 4.939 4.660 0.006 0.000 0.268 561 W C 0.697 177.226 176.519 0.017 0.000 0.871 561 W CA -0.105 57.105 57.345 -0.224 0.000 2.015 561 W CB 1.127 30.313 29.460 -0.457 0.000 1.069 561 W HN 0.100 nan 8.180 nan 0.000 0.465 562 G N 1.113 110.003 108.800 0.150 0.000 2.138 562 G HA2 -0.251 3.713 3.960 0.006 0.000 0.193 562 G HA3 -0.251 3.713 3.960 0.006 0.000 0.193 562 G C 0.052 175.063 174.900 0.184 0.000 0.998 562 G CA -0.273 44.903 45.100 0.126 0.000 0.668 562 G HN 0.152 nan 8.290 nan 0.000 0.516 563 M N 1.847 121.584 119.600 0.229 0.000 2.094 563 M HA 0.385 4.868 4.480 0.006 0.000 0.348 563 M C 0.339 176.660 176.300 0.036 0.000 1.267 563 M CA -0.204 55.203 55.300 0.179 0.000 1.125 563 M CB 0.104 32.784 32.600 0.133 0.000 1.527 563 M HN 0.275 nan 8.290 nan 0.000 0.447 564 E N 6.305 126.499 120.200 -0.009 0.000 2.413 564 E HA 0.123 4.476 4.350 0.006 0.000 0.263 564 E C -2.199 174.354 176.600 -0.078 0.000 1.015 564 E CA -0.998 55.381 56.400 -0.036 0.000 0.916 564 E CB 0.408 30.095 29.700 -0.021 0.000 0.947 564 E HN 0.453 nan 8.360 nan 0.000 0.440 565 P HA -0.014 nan 4.420 nan 0.000 0.276 565 P C 0.222 177.383 177.300 -0.232 0.000 1.261 565 P CA -0.350 62.678 63.100 -0.121 0.000 0.800 565 P CB 0.810 32.474 31.700 -0.060 0.000 1.066 566 L N 0.768 121.776 121.223 -0.358 0.000 2.109 566 L HA -0.135 4.209 4.340 0.006 0.000 0.207 566 L C 2.378 178.945 176.870 -0.504 0.000 1.086 566 L CA 1.703 56.139 54.840 -0.673 0.000 0.760 566 L CB -1.145 40.416 42.059 -0.831 0.000 0.910 566 L HN 0.376 nan 8.230 nan 0.000 0.437 567 E N -1.161 118.910 120.200 -0.215 0.000 2.051 567 E HA -0.214 4.139 4.350 0.006 0.000 0.192 567 E C 0.247 176.854 176.600 0.010 0.000 0.991 567 E CA 1.226 57.596 56.400 -0.049 0.000 0.799 567 E CB -0.795 28.909 29.700 0.005 0.000 0.748 567 E HN 0.457 nan 8.360 nan 0.000 0.449 568 D N 0.421 120.815 120.400 -0.009 0.000 3.085 568 D HA 0.109 4.753 4.640 0.006 0.000 0.243 568 D C -1.053 175.294 176.300 0.079 0.000 1.232 568 D CA 0.081 54.099 54.000 0.030 0.000 0.913 568 D CB -0.757 40.048 40.800 0.009 0.000 1.108 568 D HN 0.172 nan 8.370 nan 0.000 0.468 569 Y N 0.270 120.528 120.300 -0.069 0.000 2.396 569 Y HA 0.361 4.915 4.550 0.006 0.000 0.332 569 Y C -1.279 174.687 175.900 0.111 0.000 1.034 569 Y CA -1.216 56.842 58.100 -0.069 0.000 1.057 569 Y CB 1.250 39.539 38.460 -0.285 0.000 1.220 569 Y HN -0.127 nan 8.280 nan 0.000 0.440 570 V N 5.713 125.320 119.914 -0.511 0.000 2.409 570 V HA 0.517 4.641 4.120 0.006 0.000 0.291 570 V C -2.502 173.161 176.094 -0.718 0.000 1.020 570 V CA -2.169 59.861 62.300 -0.450 0.000 0.848 570 V CB 1.617 33.285 31.823 -0.259 0.000 0.990 570 V HN 0.659 nan 8.190 nan 0.000 0.430 571 P HA -0.150 nan 4.420 nan 0.000 0.215 571 P C 1.548 178.843 177.300 -0.007 0.000 1.157 571 P CA 1.938 64.950 63.100 -0.148 0.000 0.863 571 P CB -0.089 31.763 31.700 0.253 0.000 0.787 572 H N -0.649 118.417 119.070 -0.008 0.000 2.462 572 H HA -0.013 4.546 4.556 0.006 0.000 0.292 572 H C 1.824 177.161 175.328 0.014 0.000 1.049 572 H CA 1.093 57.154 56.048 0.021 0.000 1.334 572 H CB -0.686 29.081 29.762 0.007 0.000 1.404 572 H HN 0.213 nan 8.280 nan 0.000 0.544 573 Q N 1.281 120.740 119.800 -0.568 0.000 2.212 573 Q HA 0.024 4.368 4.340 0.006 0.000 0.199 573 Q C 0.158 176.082 176.000 -0.126 0.000 0.950 573 Q CA 0.818 56.409 55.803 -0.353 0.000 0.863 573 Q CB 0.531 29.013 28.738 -0.427 0.000 0.944 573 Q HN 0.343 nan 8.270 nan 0.000 0.465 574 S N 1.563 117.212 115.700 -0.084 0.000 2.080 574 S HA 0.238 4.712 4.470 0.006 0.000 0.162 574 S C -2.247 172.427 174.600 0.123 0.000 1.618 574 S CA -0.984 57.242 58.200 0.044 0.000 1.200 574 S CB 1.395 64.670 63.200 0.125 0.000 1.135 574 S HN 0.298 nan 8.310 nan 0.000 0.455 575 P HA 0.159 nan 4.420 nan 0.000 0.234 575 P C 0.296 177.676 177.300 0.133 0.000 1.175 575 P CA 0.541 63.725 63.100 0.139 0.000 0.801 575 P CB 0.288 32.060 31.700 0.119 0.000 0.891 576 D N -0.121 120.341 120.400 0.103 0.000 2.350 576 D HA 0.133 4.777 4.640 0.006 0.000 0.213 576 D C 0.849 177.202 176.300 0.089 0.000 1.031 576 D CA 0.167 54.219 54.000 0.087 0.000 0.861 576 D CB 0.135 40.974 40.800 0.065 0.000 0.926 576 D HN 0.088 nan 8.370 nan 0.000 0.520 577 A N 0.625 123.507 122.820 0.104 0.000 2.440 577 A HA 0.310 4.634 4.320 0.006 0.000 0.251 577 A C 0.549 178.189 177.584 0.094 0.000 1.089 577 A CA 0.066 52.158 52.037 0.092 0.000 0.779 577 A CB 0.367 19.426 19.000 0.098 0.000 1.022 577 A HN -0.063 nan 8.150 nan 0.000 0.492 578 T N 2.887 117.497 114.554 0.094 0.000 2.869 578 T HA 0.407 4.761 4.350 0.006 0.000 0.295 578 T C 0.485 175.222 174.700 0.061 0.000 0.987 578 T CA -0.206 61.943 62.100 0.082 0.000 1.109 578 T CB 0.308 69.234 68.868 0.097 0.000 0.932 578 T HN 0.710 nan 8.240 nan 0.000 0.518 579 R N 1.410 121.917 120.500 0.011 0.000 2.404 579 R HA 0.668 5.011 4.340 0.006 0.000 0.291 579 R C -1.149 175.124 176.300 -0.045 0.000 1.025 579 R CA -0.847 55.228 56.100 -0.041 0.000 0.991 579 R CB 0.533 30.657 30.300 -0.294 0.000 1.053 579 R HN 0.271 nan 8.270 nan 0.000 0.479 580 V N 3.475 123.368 119.914 -0.035 0.000 2.459 580 V HA 0.407 4.531 4.120 0.006 0.000 0.295 580 V C -0.836 175.196 176.094 -0.104 0.000 1.029 580 V CA -0.595 61.706 62.300 0.002 0.000 0.874 580 V CB 1.009 32.852 31.823 0.034 0.000 0.985 580 V HN 0.565 nan 8.190 nan 0.000 0.438 581 F N 3.268 123.159 119.950 -0.099 0.000 2.467 581 F HA 0.671 5.202 4.527 0.006 0.000 0.336 581 F C -0.078 175.657 175.800 -0.108 0.000 1.123 581 F CA -0.711 57.224 58.000 -0.109 0.000 0.964 581 F CB 2.168 41.026 39.000 -0.237 0.000 1.136 581 F HN 0.166 nan 8.300 nan 0.000 0.447 582 V N 3.988 124.011 119.914 0.182 0.000 2.407 582 V HA 0.292 4.416 4.120 0.006 0.000 0.291 582 V C -0.336 175.787 176.094 0.049 0.000 1.018 582 V CA -1.165 61.179 62.300 0.074 0.000 0.842 582 V CB 1.373 33.259 31.823 0.104 0.000 0.996 582 V HN 0.829 nan 8.190 nan 0.000 0.426 583 N N 3.814 122.448 118.700 -0.110 0.000 2.721 583 N HA -0.202 4.542 4.740 0.006 0.000 0.249 583 N C 1.038 176.584 175.510 0.060 0.000 1.072 583 N CA 1.693 54.748 53.050 0.009 0.000 0.710 583 N CB -1.055 37.483 38.487 0.086 0.000 0.993 583 N HN 1.598 nan 8.380 nan 0.000 0.547 584 G N -2.617 106.208 108.800 0.042 0.000 2.149 584 G HA2 -0.232 3.731 3.960 0.006 0.000 0.235 584 G HA3 -0.232 3.731 3.960 0.006 0.000 0.235 584 G C -0.249 174.817 174.900 0.276 0.000 1.018 584 G CA 0.194 45.420 45.100 0.209 0.000 0.728 584 G HN 0.535 nan 8.290 nan 0.000 0.508 585 V N 0.541 120.556 119.914 0.169 0.000 2.444 585 V HA 0.557 4.680 4.120 0.006 0.000 0.294 585 V C -0.044 175.870 176.094 -0.299 0.000 1.022 585 V CA -1.165 61.060 62.300 -0.125 0.000 0.850 585 V CB 1.657 33.271 31.823 -0.349 0.000 0.992 585 V HN 0.352 nan 8.190 nan 0.000 0.426 586 W N 5.312 126.242 121.300 -0.617 0.000 2.546 586 W HA 0.323 4.987 4.660 0.006 0.000 0.323 586 W C 0.925 177.076 176.519 -0.614 0.000 1.272 586 W CA -0.196 56.635 57.345 -0.856 0.000 1.404 586 W CB 0.110 29.175 29.460 -0.658 0.000 1.411 586 W HN 0.715 nan 8.180 nan 0.000 0.480 587 H N 2.757 121.769 119.070 -0.097 0.000 2.516 587 H HA 0.256 4.816 4.556 0.006 0.000 0.284 587 H C 1.075 176.255 175.328 -0.246 0.000 0.999 587 H CA 1.301 57.245 56.048 -0.172 0.000 1.303 587 H CB 0.901 30.595 29.762 -0.113 0.000 1.452 587 H HN 0.441 nan 8.280 nan 0.000 0.530 588 G N -0.292 108.456 108.800 -0.087 0.000 2.489 588 G HA2 0.407 4.370 3.960 0.006 0.000 0.305 588 G HA3 0.407 4.370 3.960 0.006 0.000 0.305 588 G C -1.588 173.243 174.900 -0.115 0.000 1.311 588 G CA -0.363 44.602 45.100 -0.225 0.000 0.813 588 G HN 0.033 nan 8.290 nan 0.000 0.480 589 V N -0.550 119.238 119.914 -0.211 0.000 3.046 589 V HA 0.789 4.912 4.120 0.006 0.000 0.316 589 V C -0.819 175.284 176.094 0.015 0.000 1.104 589 V CA -0.774 61.445 62.300 -0.136 0.000 1.006 589 V CB 2.019 33.583 31.823 -0.431 0.000 1.058 589 V HN 1.047 nan 8.190 nan 0.000 0.440 590 H N 1.808 120.859 119.070 -0.031 0.000 2.934 590 H HA 0.555 5.114 4.556 0.006 0.000 0.340 590 H C -0.457 174.887 175.328 0.026 0.000 1.008 590 H CA -0.621 55.429 56.048 0.004 0.000 1.317 590 H CB 1.140 30.914 29.762 0.020 0.000 1.670 590 H HN 0.623 nan 8.280 nan 0.000 0.516 591 R N 3.556 123.834 120.500 -0.370 0.000 2.390 591 R HA 0.187 4.530 4.340 0.006 0.000 0.291 591 R C -0.302 175.871 176.300 -0.211 0.000 1.070 591 R CA -0.608 55.377 56.100 -0.191 0.000 1.014 591 R CB 0.358 30.568 30.300 -0.150 0.000 1.007 591 R HN 0.893 nan 8.270 nan 0.000 0.466 592 N N 2.008 120.717 118.700 0.014 0.000 2.525 592 N HA -0.098 4.646 4.740 0.006 0.000 0.283 592 N C -2.118 173.574 175.510 0.303 0.000 1.259 592 N CA 0.112 53.229 53.050 0.111 0.000 0.689 592 N CB 0.003 38.530 38.487 0.067 0.000 0.899 592 N HN 0.487 nan 8.380 nan 0.000 0.541 593 P HA 0.126 nan 4.420 nan 0.000 0.245 593 P C 1.215 178.582 177.300 0.111 0.000 1.203 593 P CA 0.906 64.130 63.100 0.207 0.000 0.792 593 P CB 0.027 31.814 31.700 0.143 0.000 0.997 594 A N 1.572 124.457 122.820 0.109 0.000 1.915 594 A HA -0.258 4.066 4.320 0.006 0.000 0.220 594 A C 2.379 180.013 177.584 0.083 0.000 1.198 594 A CA 1.944 54.031 52.037 0.082 0.000 0.647 594 A CB -1.191 17.855 19.000 0.076 0.000 0.825 594 A HN 0.143 nan 8.150 nan 0.000 0.456 595 R N -1.742 118.830 120.500 0.120 0.000 2.100 595 R HA 0.111 4.454 4.340 0.006 0.000 0.220 595 R C 2.145 178.526 176.300 0.135 0.000 1.091 595 R CA 0.900 57.083 56.100 0.139 0.000 0.986 595 R CB -0.409 30.001 30.300 0.182 0.000 0.888 595 R HN 0.496 nan 8.270 nan 0.000 0.444 596 L N 0.588 121.880 121.223 0.115 0.000 2.079 596 L HA -0.134 4.209 4.340 0.006 0.000 0.210 596 L C 2.172 179.018 176.870 -0.041 0.000 1.081 596 L CA 1.661 56.499 54.840 -0.004 0.000 0.752 596 L CB -0.166 41.691 42.059 -0.337 0.000 0.896 596 L HN 0.095 nan 8.230 nan 0.000 0.433 597 M N -0.701 118.887 119.600 -0.021 0.000 2.236 597 M HA -0.114 4.369 4.480 0.006 0.000 0.266 597 M C 2.151 178.438 176.300 -0.023 0.000 1.070 597 M CA 1.499 56.783 55.300 -0.026 0.000 1.137 597 M CB -0.361 32.237 32.600 -0.003 0.000 1.378 597 M HN 0.395 nan 8.290 nan 0.000 0.426 598 E N -1.352 118.850 120.200 0.003 0.000 2.150 598 E HA -0.154 4.199 4.350 0.006 0.000 0.193 598 E C 1.314 177.896 176.600 -0.029 0.000 0.985 598 E CA 1.615 58.015 56.400 0.000 0.000 0.814 598 E CB 0.106 29.822 29.700 0.028 0.000 0.752 598 E HN 0.524 nan 8.360 nan 0.000 0.466 599 T N 1.416 115.942 114.554 -0.047 0.000 2.812 599 T HA -0.066 4.288 4.350 0.006 0.000 0.264 599 T C 1.917 176.499 174.700 -0.198 0.000 1.042 599 T CA 0.603 62.628 62.100 -0.126 0.000 1.140 599 T CB -0.114 68.611 68.868 -0.239 0.000 0.870 599 T HN 0.157 nan 8.240 nan 0.000 0.445 600 L N 0.228 121.342 121.223 -0.182 0.000 2.131 600 L HA -0.089 4.254 4.340 0.006 0.000 0.210 600 L C 2.888 179.658 176.870 -0.167 0.000 1.092 600 L CA 1.235 55.946 54.840 -0.215 0.000 0.759 600 L CB -0.371 41.596 42.059 -0.154 0.000 0.903 600 L HN 0.123 nan 8.230 nan 0.000 0.435 601 R N -0.494 119.942 120.500 -0.107 0.000 2.073 601 R HA -0.073 4.271 4.340 0.006 0.000 0.229 601 R C 2.297 178.540 176.300 -0.095 0.000 1.120 601 R CA 1.495 57.548 56.100 -0.077 0.000 0.967 601 R CB -0.836 29.441 30.300 -0.038 0.000 0.862 601 R HN 0.180 nan 8.270 nan 0.000 0.436 602 T N 0.781 115.274 114.554 -0.101 0.000 2.915 602 T HA -0.019 4.334 4.350 0.006 0.000 0.269 602 T C 1.607 176.232 174.700 -0.124 0.000 1.071 602 T CA 0.899 62.944 62.100 -0.093 0.000 1.132 602 T CB -0.046 68.780 68.868 -0.070 0.000 0.878 602 T HN 0.097 nan 8.240 nan 0.000 0.479 603 L N 0.197 121.311 121.223 -0.182 0.000 2.127 603 L HA 0.096 4.440 4.340 0.006 0.000 0.203 603 L C 2.911 179.663 176.870 -0.197 0.000 1.080 603 L CA 0.844 55.550 54.840 -0.224 0.000 0.768 603 L CB -0.397 41.441 42.059 -0.368 0.000 0.924 603 L HN 0.101 nan 8.230 nan 0.000 0.444 604 R N 0.837 121.226 120.500 -0.186 0.000 2.066 604 R HA -0.142 4.202 4.340 0.006 0.000 0.232 604 R C 2.375 178.587 176.300 -0.147 0.000 1.131 604 R CA 1.433 57.432 56.100 -0.167 0.000 0.955 604 R CB -0.076 30.138 30.300 -0.144 0.000 0.851 604 R HN 0.272 nan 8.270 nan 0.000 0.432 605 R N 0.326 120.754 120.500 -0.120 0.000 2.115 605 R HA -0.098 4.246 4.340 0.006 0.000 0.230 605 R C 2.399 178.633 176.300 -0.110 0.000 1.111 605 R CA 1.435 57.471 56.100 -0.106 0.000 0.976 605 R CB -0.193 30.059 30.300 -0.079 0.000 0.870 605 R HN 0.187 nan 8.270 nan 0.000 0.445 606 K N -0.388 119.948 120.400 -0.107 0.000 2.211 606 K HA -0.107 4.217 4.320 0.006 0.000 0.203 606 K C 0.933 177.469 176.600 -0.108 0.000 1.050 606 K CA 1.390 57.620 56.287 -0.095 0.000 0.945 606 K CB 0.184 32.632 32.500 -0.087 0.000 0.732 606 K HN 0.353 nan 8.250 nan 0.000 0.451 607 G N 0.280 109.001 108.800 -0.131 0.000 2.179 607 G HA2 -0.211 3.753 3.960 0.006 0.000 0.220 607 G HA3 -0.211 3.753 3.960 0.006 0.000 0.220 607 G C 0.424 175.243 174.900 -0.134 0.000 0.990 607 G CA 0.328 45.345 45.100 -0.139 0.000 0.646 607 G HN 0.344 nan 8.290 nan 0.000 0.517 608 D N 0.247 120.564 120.400 -0.138 0.000 2.078 608 D HA -0.019 4.624 4.640 0.006 0.000 0.193 608 D C 1.441 177.636 176.300 -0.174 0.000 0.990 608 D CA 0.922 54.834 54.000 -0.146 0.000 0.827 608 D CB 0.090 40.795 40.800 -0.158 0.000 0.975 608 D HN 0.350 nan 8.370 nan 0.000 0.451 609 I N 1.682 122.123 120.570 -0.214 0.000 2.472 609 I HA 0.021 4.194 4.170 0.006 0.000 0.290 609 I C 0.873 176.882 176.117 -0.181 0.000 1.016 609 I CA -1.047 60.124 61.300 -0.215 0.000 1.348 609 I CB -0.022 37.820 38.000 -0.264 0.000 1.417 609 I HN -0.083 nan 8.210 nan 0.000 0.521 610 N N 7.424 126.027 118.700 -0.162 0.000 2.357 610 N HA -0.034 4.709 4.740 0.006 0.000 0.257 610 N C -1.794 173.596 175.510 -0.201 0.000 1.250 610 N CA -0.630 52.321 53.050 -0.164 0.000 0.862 610 N CB 1.097 39.502 38.487 -0.138 0.000 1.066 610 N HN 0.277 nan 8.380 nan 0.000 0.468 611 P HA -0.057 nan 4.420 nan 0.000 0.234 611 P C 0.748 177.811 177.300 -0.395 0.000 1.167 611 P CA 0.786 63.678 63.100 -0.347 0.000 0.763 611 P CB 0.211 31.619 31.700 -0.486 0.000 0.835 612 E N 0.043 120.049 120.200 -0.324 0.000 2.299 612 E HA -0.004 4.350 4.350 0.006 0.000 0.193 612 E C 0.077 176.574 176.600 -0.172 0.000 0.998 612 E CA 0.223 56.441 56.400 -0.303 0.000 0.851 612 E CB 0.096 29.692 29.700 -0.173 0.000 0.795 612 E HN -0.051 nan 8.360 nan 0.000 0.492 613 V N 2.509 122.351 119.914 -0.119 0.000 2.637 613 V HA 0.083 4.206 4.120 0.006 0.000 0.296 613 V C 0.323 176.400 176.094 -0.028 0.000 1.046 613 V CA 0.018 62.289 62.300 -0.049 0.000 1.066 613 V CB 1.063 32.846 31.823 -0.067 0.000 0.968 613 V HN 0.289 nan 8.190 nan 0.000 0.483 614 S N 5.541 121.270 115.700 0.048 0.000 2.501 614 S HA 0.846 5.320 4.470 0.006 0.000 0.301 614 S C -0.821 173.833 174.600 0.089 0.000 1.096 614 S CA -0.888 57.355 58.200 0.072 0.000 1.063 614 S CB 1.499 64.764 63.200 0.108 0.000 1.042 614 S HN 0.594 nan 8.310 nan 0.000 0.494 615 M N 3.162 122.796 119.600 0.056 0.000 2.090 615 M HA 0.402 4.886 4.480 0.006 0.000 0.277 615 M C -1.710 174.616 176.300 0.043 0.000 0.935 615 M CA -0.359 54.958 55.300 0.029 0.000 0.966 615 M CB 1.447 34.038 32.600 -0.014 0.000 1.635 615 M HN 0.540 nan 8.290 nan 0.000 0.446 616 I N 2.895 123.497 120.570 0.053 0.000 2.306 616 I HA 0.354 4.527 4.170 0.006 0.000 0.288 616 I C 0.198 176.332 176.117 0.027 0.000 1.036 616 I CA -0.364 60.968 61.300 0.054 0.000 1.221 616 I CB 0.696 38.743 38.000 0.079 0.000 1.385 616 I HN 0.516 nan 8.210 nan 0.000 0.472 617 R N 4.639 125.156 120.500 0.029 0.000 2.298 617 R HA 0.288 4.631 4.340 0.006 0.000 0.310 617 R C -0.796 175.520 176.300 0.027 0.000 1.068 617 R CA 0.055 56.169 56.100 0.024 0.000 0.957 617 R CB 0.468 30.784 30.300 0.027 0.000 1.003 617 R HN 0.472 nan 8.270 nan 0.000 0.454 618 D N 5.547 125.960 120.400 0.022 0.000 2.381 618 D HA 0.175 4.819 4.640 0.006 0.000 0.235 618 D C 0.956 177.273 176.300 0.028 0.000 1.068 618 D CA -0.422 53.591 54.000 0.021 0.000 0.832 618 D CB 0.958 41.763 40.800 0.008 0.000 1.101 618 D HN 0.478 nan 8.370 nan 0.000 0.515 619 I N 2.910 123.498 120.570 0.030 0.000 2.235 619 I HA -0.110 4.064 4.170 0.006 0.000 0.241 619 I C 1.945 178.083 176.117 0.034 0.000 1.085 619 I CA 0.688 62.008 61.300 0.034 0.000 1.378 619 I CB -0.303 37.715 38.000 0.032 0.000 1.076 619 I HN 0.262 nan 8.210 nan 0.000 0.415 620 R N 0.450 120.967 120.500 0.028 0.000 2.299 620 R HA -0.072 4.272 4.340 0.006 0.000 0.197 620 R C 1.453 177.771 176.300 0.030 0.000 0.971 620 R CA 0.391 56.508 56.100 0.028 0.000 1.030 620 R CB 0.041 30.354 30.300 0.021 0.000 0.932 620 R HN 0.198 nan 8.270 nan 0.000 0.477 621 E N 0.492 120.710 120.200 0.029 0.000 2.526 621 E HA 0.090 4.444 4.350 0.006 0.000 0.208 621 E C -0.523 176.104 176.600 0.046 0.000 0.997 621 E CA 0.009 56.428 56.400 0.031 0.000 0.961 621 E CB 0.338 30.047 29.700 0.014 0.000 1.030 621 E HN -0.040 nan 8.360 nan 0.000 0.483 622 K N 0.876 121.304 120.400 0.046 0.000 3.148 622 K HA -0.233 4.090 4.320 0.006 0.000 0.267 622 K C -0.653 175.973 176.600 0.044 0.000 0.996 622 K CA 0.833 57.152 56.287 0.054 0.000 0.737 622 K CB -1.188 31.354 32.500 0.071 0.000 1.308 622 K HN 0.232 nan 8.250 nan 0.000 0.470 623 E N -0.114 120.105 120.200 0.031 0.000 2.359 623 E HA 0.654 5.008 4.350 0.006 0.000 0.266 623 E C -1.263 175.352 176.600 0.025 0.000 0.920 623 E CA -1.149 55.266 56.400 0.025 0.000 0.788 623 E CB 1.739 31.430 29.700 -0.016 0.000 1.279 623 E HN 0.147 nan 8.360 nan 0.000 0.438 624 L N 1.668 122.917 121.223 0.043 0.000 2.568 624 L HA 0.390 4.733 4.340 0.006 0.000 0.262 624 L C -1.829 175.054 176.870 0.021 0.000 0.980 624 L CA -0.240 54.612 54.840 0.021 0.000 0.882 624 L CB 0.907 42.972 42.059 0.011 0.000 1.198 624 L HN 0.324 nan 8.230 nan 0.000 0.425 625 K N 5.502 125.877 120.400 -0.043 0.000 2.206 625 K HA 0.743 5.066 4.320 0.006 0.000 0.264 625 K C -1.224 175.266 176.600 -0.184 0.000 0.967 625 K CA -0.507 55.686 56.287 -0.157 0.000 0.844 625 K CB 2.053 34.398 32.500 -0.258 0.000 1.099 625 K HN 0.413 nan 8.250 nan 0.000 0.441 626 I N 3.140 123.541 120.570 -0.282 0.000 2.447 626 I HA 0.355 4.529 4.170 0.006 0.000 0.287 626 I C -1.032 174.905 176.117 -0.300 0.000 1.023 626 I CA -0.266 60.923 61.300 -0.185 0.000 1.083 626 I CB 0.953 38.889 38.000 -0.106 0.000 1.245 626 I HN 0.450 nan 8.210 nan 0.000 0.434 627 F N 3.489 123.442 119.950 0.005 0.000 2.495 627 F HA 0.487 5.018 4.527 0.006 0.000 0.327 627 F C 0.839 176.635 175.800 -0.007 0.000 1.103 627 F CA -0.342 57.661 58.000 0.005 0.000 0.949 627 F CB 2.339 41.339 39.000 0.000 0.000 1.142 627 F HN 0.441 nan 8.300 nan 0.000 0.457 628 T N -0.733 113.947 114.554 0.209 0.000 3.043 628 T HA 0.057 4.411 4.350 0.006 0.000 0.272 628 T C -0.203 174.555 174.700 0.098 0.000 0.990 628 T CA -0.378 61.784 62.100 0.104 0.000 0.897 628 T CB -0.245 68.649 68.868 0.044 0.000 1.111 628 T HN 0.377 nan 8.240 nan 0.000 0.529 629 D N 2.410 122.896 120.400 0.144 0.000 2.515 629 D HA 0.318 4.962 4.640 0.006 0.000 0.232 629 D C 0.221 176.548 176.300 0.044 0.000 1.157 629 D CA 0.330 54.380 54.000 0.083 0.000 0.871 629 D CB 0.493 41.334 40.800 0.068 0.000 1.200 629 D HN 0.396 nan 8.370 nan 0.000 0.466 630 A N 1.990 124.825 122.820 0.025 0.000 2.310 630 A HA 0.568 4.891 4.320 0.006 0.000 0.300 630 A C 1.039 178.621 177.584 -0.003 0.000 1.269 630 A CA 0.350 52.399 52.037 0.020 0.000 0.909 630 A CB 0.113 19.123 19.000 0.016 0.000 1.144 630 A HN 0.767 nan 8.150 nan 0.000 0.540 631 G N 2.347 111.144 108.800 -0.005 0.000 2.559 631 G HA2 -0.108 3.856 3.960 0.006 0.000 0.202 631 G HA3 -0.108 3.856 3.960 0.006 0.000 0.202 631 G C 0.191 175.041 174.900 -0.083 0.000 0.992 631 G CA -0.671 44.400 45.100 -0.048 0.000 0.764 631 G HN 0.735 nan 8.290 nan 0.000 0.525 632 R N 0.917 121.394 120.500 -0.039 0.000 2.370 632 R HA 0.464 4.807 4.340 0.006 0.000 0.309 632 R C 0.245 176.543 176.300 -0.004 0.000 1.059 632 R CA -0.172 55.905 56.100 -0.039 0.000 0.981 632 R CB 1.440 31.762 30.300 0.037 0.000 0.972 632 R HN 0.070 nan 8.270 nan 0.000 0.437 633 V N 5.444 125.307 119.914 -0.085 0.000 2.583 633 V HA 0.244 4.368 4.120 0.006 0.000 0.287 633 V C -0.323 175.759 176.094 -0.020 0.000 1.051 633 V CA -0.262 61.962 62.300 -0.127 0.000 1.010 633 V CB 0.152 31.979 31.823 0.007 0.000 0.988 633 V HN 0.672 nan 8.190 nan 0.000 0.478 634 Y N 3.087 123.395 120.300 0.014 0.000 2.677 634 Y HA 0.917 5.471 4.550 0.006 0.000 0.334 634 Y C -0.378 175.458 175.900 -0.106 0.000 1.154 634 Y CA -1.841 56.253 58.100 -0.010 0.000 1.070 634 Y CB 1.461 39.943 38.460 0.036 0.000 1.294 634 Y HN 0.670 nan 8.280 nan 0.000 0.475 635 R N -0.292 120.263 120.500 0.093 0.000 2.855 635 R HA 0.565 4.909 4.340 0.006 0.000 0.266 635 R C -2.691 173.503 176.300 -0.176 0.000 1.034 635 R CA -1.857 54.162 56.100 -0.135 0.000 0.944 635 R CB 1.591 31.789 30.300 -0.170 0.000 1.219 635 R HN 0.406 nan 8.270 nan 0.000 0.474 636 P HA -0.286 nan 4.420 nan 0.000 0.235 636 P C 0.554 177.858 177.300 0.007 0.000 0.775 636 P CA 1.705 64.701 63.100 -0.173 0.000 1.099 636 P CB -0.253 31.299 31.700 -0.247 0.000 0.733 637 L N -4.333 116.895 121.223 0.008 0.000 2.585 637 L HA 0.513 4.856 4.340 0.006 0.000 0.260 637 L C 0.779 177.680 176.870 0.051 0.000 1.085 637 L CA -1.622 53.178 54.840 -0.068 0.000 0.913 637 L CB -1.436 40.594 42.059 -0.048 0.000 1.638 637 L HN -0.128 nan 8.230 nan 0.000 0.531 638 F N -0.143 119.855 119.950 0.079 0.000 2.410 638 F HA 0.482 5.013 4.527 0.006 0.000 0.334 638 F C 0.331 176.172 175.800 0.068 0.000 1.134 638 F CA -0.259 57.767 58.000 0.044 0.000 1.227 638 F CB 0.996 40.001 39.000 0.007 0.000 1.194 638 F HN 0.210 nan 8.300 nan 0.000 0.571 639 I N 2.284 122.993 120.570 0.231 0.000 2.412 639 I HA 0.349 4.523 4.170 0.006 0.000 0.296 639 I C -1.023 175.072 176.117 -0.037 0.000 0.987 639 I CA -0.732 60.578 61.300 0.016 0.000 1.180 639 I CB 1.827 39.806 38.000 -0.035 0.000 1.340 639 I HN 0.113 nan 8.210 nan 0.000 0.455 640 V N 5.098 124.952 119.914 -0.100 0.000 2.444 640 V HA 0.453 4.577 4.120 0.006 0.000 0.294 640 V C -0.532 175.524 176.094 -0.063 0.000 1.022 640 V CA -0.536 61.736 62.300 -0.047 0.000 0.850 640 V CB 1.610 33.447 31.823 0.022 0.000 0.992 640 V HN 0.669 nan 8.190 nan 0.000 0.426 641 E N 2.318 122.494 120.200 -0.040 0.000 2.288 641 E HA 0.430 4.783 4.350 0.006 0.000 0.268 641 E C -0.096 176.497 176.600 -0.011 0.000 0.885 641 E CA -0.583 55.798 56.400 -0.033 0.000 0.767 641 E CB 1.691 31.366 29.700 -0.042 0.000 1.220 641 E HN 0.737 nan 8.360 nan 0.000 0.427 642 D N 1.904 122.303 120.400 -0.003 0.000 2.348 642 D HA -0.077 4.566 4.640 0.006 0.000 0.248 642 D C -0.330 175.955 176.300 -0.026 0.000 1.142 642 D CA 0.009 54.007 54.000 -0.003 0.000 0.904 642 D CB -0.076 40.729 40.800 0.009 0.000 0.901 642 D HN 0.299 nan 8.370 nan 0.000 0.523 643 D N 1.340 121.724 120.400 -0.028 0.000 2.778 643 D HA -0.068 4.576 4.640 0.006 0.000 0.248 643 D C -0.235 176.038 176.300 -0.045 0.000 1.302 643 D CA 0.716 54.698 54.000 -0.030 0.000 1.030 643 D CB -0.150 40.636 40.800 -0.024 0.000 1.151 643 D HN 0.376 nan 8.370 nan 0.000 0.450 644 E N -0.296 119.865 120.200 -0.065 0.000 2.182 644 E HA 0.093 4.447 4.350 0.006 0.000 0.258 644 E C 0.524 177.077 176.600 -0.079 0.000 0.879 644 E CA -0.263 56.079 56.400 -0.097 0.000 0.754 644 E CB 1.982 31.569 29.700 -0.187 0.000 1.162 644 E HN -0.129 nan 8.360 nan 0.000 0.419 645 S N 2.931 118.597 115.700 -0.058 0.000 2.368 645 S HA -0.074 4.399 4.470 0.006 0.000 0.225 645 S C 1.761 176.331 174.600 -0.050 0.000 1.030 645 S CA 0.994 59.169 58.200 -0.042 0.000 0.999 645 S CB 0.100 63.282 63.200 -0.030 0.000 0.844 645 S HN 0.505 nan 8.310 nan 0.000 0.459 646 L N 0.187 121.370 121.223 -0.067 0.000 2.141 646 L HA 0.186 4.530 4.340 0.006 0.000 0.209 646 L C 1.270 178.092 176.870 -0.079 0.000 1.094 646 L CA 0.612 55.414 54.840 -0.063 0.000 0.763 646 L CB -0.643 41.380 42.059 -0.059 0.000 0.908 646 L HN 0.513 nan 8.230 nan 0.000 0.437 647 G N -1.793 106.912 108.800 -0.158 0.000 2.352 647 G HA2 0.271 4.235 3.960 0.006 0.000 0.303 647 G HA3 0.271 4.235 3.960 0.006 0.000 0.303 647 G C -0.669 173.982 174.900 -0.414 0.000 1.593 647 G CA -0.395 44.616 45.100 -0.148 0.000 0.963 647 G HN 0.466 nan 8.290 nan 0.000 0.685 648 H N -1.381 117.693 119.070 0.007 0.000 1.848 648 H HA -0.171 4.389 4.556 0.006 0.000 0.165 648 H C -0.634 174.705 175.328 0.018 0.000 1.506 648 H CA 0.771 56.827 56.048 0.013 0.000 1.728 648 H CB -0.268 29.504 29.762 0.017 0.000 2.014 648 H HN 0.738 nan 8.280 nan 0.000 0.908 649 K N 1.309 121.862 120.400 0.255 0.000 2.262 649 K HA 0.254 4.578 4.320 0.006 0.000 0.282 649 K C -0.178 176.576 176.600 0.257 0.000 1.066 649 K CA -0.159 56.231 56.287 0.172 0.000 0.901 649 K CB 0.833 33.428 32.500 0.159 0.000 1.089 649 K HN 0.433 nan 8.250 nan 0.000 0.476 650 E N 3.245 123.509 120.200 0.107 0.000 2.320 650 E HA 0.335 4.688 4.350 0.006 0.000 0.264 650 E C -1.214 175.398 176.600 0.020 0.000 0.923 650 E CA -0.770 55.685 56.400 0.091 0.000 0.796 650 E CB 1.020 30.724 29.700 0.007 0.000 1.262 650 E HN 0.424 nan 8.360 nan 0.000 0.428 651 L N 3.543 124.756 121.223 -0.016 0.000 2.410 651 L HA 0.176 4.520 4.340 0.006 0.000 0.273 651 L C 1.602 178.421 176.870 -0.084 0.000 1.152 651 L CA 0.124 54.914 54.840 -0.084 0.000 0.855 651 L CB 0.517 42.470 42.059 -0.176 0.000 1.129 651 L HN 0.652 nan 8.230 nan 0.000 0.463 652 K N 1.946 122.296 120.400 -0.084 0.000 2.074 652 K HA -0.122 4.202 4.320 0.006 0.000 0.209 652 K C 0.364 176.917 176.600 -0.079 0.000 1.048 652 K CA 1.001 57.245 56.287 -0.071 0.000 0.926 652 K CB -0.008 32.448 32.500 -0.074 0.000 0.713 652 K HN 0.381 nan 8.250 nan 0.000 0.444 653 V N 2.657 122.480 119.914 -0.152 0.000 2.637 653 V HA 0.014 4.137 4.120 0.006 0.000 0.296 653 V C 0.615 176.726 176.094 0.028 0.000 1.046 653 V CA 0.105 62.326 62.300 -0.132 0.000 1.066 653 V CB 0.964 32.630 31.823 -0.261 0.000 0.968 653 V HN 0.239 nan 8.190 nan 0.000 0.483 654 R N 2.922 123.603 120.500 0.303 0.000 2.960 654 R HA 0.495 4.838 4.340 0.006 0.000 0.249 654 R C 0.954 177.307 176.300 0.087 0.000 1.192 654 R CA -0.985 55.194 56.100 0.132 0.000 1.035 654 R CB 0.716 31.063 30.300 0.078 0.000 1.234 654 R HN 0.483 nan 8.270 nan 0.000 0.493 655 K N 0.408 120.819 120.400 0.019 0.000 2.097 655 K HA -0.048 4.275 4.320 0.006 0.000 0.205 655 K C 1.859 178.451 176.600 -0.014 0.000 1.050 655 K CA 1.597 57.894 56.287 0.016 0.000 0.938 655 K CB -0.348 32.157 32.500 0.008 0.000 0.718 655 K HN 0.759 nan 8.250 nan 0.000 0.442 656 G N 1.288 110.034 108.800 -0.092 0.000 2.503 656 G HA2 -0.285 3.678 3.960 0.006 0.000 0.221 656 G HA3 -0.285 3.678 3.960 0.006 0.000 0.221 656 G C 1.205 175.975 174.900 -0.217 0.000 1.131 656 G CA 1.047 46.037 45.100 -0.183 0.000 0.756 656 G HN 0.346 nan 8.290 nan 0.000 0.572 657 H N -0.148 118.887 119.070 -0.059 0.000 2.357 657 H HA 0.033 4.593 4.556 0.006 0.000 0.301 657 H C 2.734 178.074 175.328 0.021 0.000 1.082 657 H CA 1.073 57.087 56.048 -0.056 0.000 1.342 657 H CB -0.157 29.628 29.762 0.037 0.000 1.389 657 H HN 0.312 nan 8.280 nan 0.000 0.511 658 I N 1.094 121.767 120.570 0.172 0.000 2.286 658 I HA -0.200 3.974 4.170 0.006 0.000 0.248 658 I C 2.655 178.845 176.117 0.121 0.000 1.115 658 I CA 1.069 62.469 61.300 0.167 0.000 1.392 658 I CB -0.323 37.764 38.000 0.145 0.000 1.065 658 I HN 0.164 nan 8.210 nan 0.000 0.418 659 A N -0.207 122.645 122.820 0.052 0.000 1.930 659 A HA -0.219 4.105 4.320 0.006 0.000 0.217 659 A C 2.298 179.896 177.584 0.022 0.000 1.175 659 A CA 1.560 53.613 52.037 0.027 0.000 0.627 659 A CB -0.455 18.537 19.000 -0.014 0.000 0.815 659 A HN 0.346 nan 8.150 nan 0.000 0.443 660 K N -0.527 119.850 120.400 -0.038 0.000 2.148 660 K HA 0.097 4.421 4.320 0.006 0.000 0.204 660 K C 1.709 178.379 176.600 0.117 0.000 1.050 660 K CA 0.857 57.101 56.287 -0.071 0.000 0.942 660 K CB -0.225 32.015 32.500 -0.433 0.000 0.724 660 K HN 0.437 nan 8.250 nan 0.000 0.446 661 L N 0.227 121.578 121.223 0.213 0.000 2.156 661 L HA -0.061 4.282 4.340 0.006 0.000 0.208 661 L C 2.114 179.134 176.870 0.250 0.000 1.095 661 L CA 0.993 56.031 54.840 0.330 0.000 0.770 661 L CB -0.052 42.216 42.059 0.348 0.000 0.914 661 L HN 0.248 nan 8.230 nan 0.000 0.439 662 M N -1.429 118.290 119.600 0.198 0.000 2.556 662 M HA 0.052 4.535 4.480 0.006 0.000 0.245 662 M C 2.025 178.440 176.300 0.192 0.000 1.128 662 M CA 0.459 55.872 55.300 0.187 0.000 1.069 662 M CB -0.072 32.620 32.600 0.154 0.000 1.469 662 M HN 0.181 nan 8.290 nan 0.000 0.494 663 A N 0.058 122.982 122.820 0.174 0.000 2.167 663 A HA -0.019 4.305 4.320 0.006 0.000 0.214 663 A C 1.980 179.683 177.584 0.199 0.000 1.151 663 A CA 1.220 53.373 52.037 0.193 0.000 0.735 663 A CB -0.591 18.488 19.000 0.132 0.000 0.802 663 A HN 0.374 nan 8.150 nan 0.000 0.467 664 T N -0.884 113.786 114.554 0.194 0.000 3.037 664 T HA 0.046 4.399 4.350 0.006 0.000 0.252 664 T C 1.601 176.393 174.700 0.154 0.000 1.073 664 T CA 0.808 63.009 62.100 0.169 0.000 1.091 664 T CB 0.144 69.126 68.868 0.191 0.000 0.935 664 T HN 0.585 nan 8.240 nan 0.000 0.488 665 E N 0.550 120.859 120.200 0.183 0.000 2.033 665 E HA -0.069 4.285 4.350 0.006 0.000 0.189 665 E C 1.845 178.544 176.600 0.165 0.000 0.979 665 E CA 0.789 57.291 56.400 0.171 0.000 0.802 665 E CB -0.211 29.605 29.700 0.192 0.000 0.763 665 E HN 0.472 nan 8.360 nan 0.000 0.449 666 Y N 1.897 122.244 120.300 0.078 0.000 2.193 666 Y HA -0.203 4.351 4.550 0.006 0.000 0.285 666 Y C 1.397 177.327 175.900 0.051 0.000 1.166 666 Y CA 1.434 59.570 58.100 0.060 0.000 1.181 666 Y CB 0.014 38.507 38.460 0.056 0.000 0.976 666 Y HN -0.078 nan 8.280 nan 0.000 0.520 667 Q N 2.234 121.967 119.800 -0.113 0.000 3.181 667 Q HA 0.122 4.466 4.340 0.006 0.000 0.293 667 Q C -1.228 174.722 176.000 -0.084 0.000 1.406 667 Q CA -0.218 55.472 55.803 -0.189 0.000 1.026 667 Q CB -0.281 28.410 28.738 -0.080 0.000 1.630 667 Q HN 0.430 nan 8.270 nan 0.000 0.553 677 E N 2.413 122.652 120.200 0.065 0.000 3.943 677 E HA -0.183 4.170 4.350 0.006 0.000 0.159 677 E C 0.483 177.158 176.600 0.126 0.000 1.001 677 E CA 1.989 58.440 56.400 0.086 0.000 2.707 677 E CB -1.452 28.301 29.700 0.087 0.000 1.555 677 E HN 2.371 nan 8.360 nan 0.000 0.602 678 E N 1.031 121.310 120.200 0.131 0.000 2.369 678 E HA -0.265 4.089 4.350 0.006 0.000 0.165 678 E C -1.300 175.423 176.600 0.205 0.000 1.622 678 E CA 1.200 57.684 56.400 0.140 0.000 0.660 678 E CB -2.416 27.339 29.700 0.091 0.000 1.085 678 E HN 0.470 nan 8.360 nan 0.000 0.346 679 Y N 2.019 122.364 120.300 0.076 0.000 2.345 679 Y HA 0.447 5.000 4.550 0.006 0.000 0.331 679 Y C 0.493 176.458 175.900 0.107 0.000 0.959 679 Y CA 0.382 58.534 58.100 0.085 0.000 1.204 679 Y CB 1.202 39.718 38.460 0.093 0.000 1.135 679 Y HN 0.433 nan 8.280 nan 0.000 0.477 680 T N 1.099 115.547 114.554 -0.177 0.000 2.883 680 T HA 0.091 4.445 4.350 0.006 0.000 0.284 680 T C 0.824 175.475 174.700 -0.082 0.000 1.041 680 T CA -0.751 61.327 62.100 -0.037 0.000 1.007 680 T CB 0.777 69.658 68.868 0.022 0.000 1.220 680 T HN 0.827 nan 8.240 nan 0.000 0.552 681 W N 0.853 122.104 121.300 -0.082 0.000 2.305 681 W HA -0.246 4.418 4.660 0.006 0.000 0.308 681 W C 1.912 178.380 176.519 -0.085 0.000 1.226 681 W CA 2.195 59.512 57.345 -0.046 0.000 1.253 681 W CB -0.774 28.683 29.460 -0.004 0.000 1.146 681 W HN 0.677 nan 8.180 nan 0.000 0.507 682 S N 0.409 116.095 115.700 -0.023 0.000 2.382 682 S HA -0.209 4.265 4.470 0.006 0.000 0.228 682 S C 1.965 176.409 174.600 -0.260 0.000 1.027 682 S CA 2.004 60.125 58.200 -0.131 0.000 0.991 682 S CB -0.515 62.664 63.200 -0.036 0.000 0.823 682 S HN 0.436 nan 8.310 nan 0.000 0.469 683 S N 1.555 117.051 115.700 -0.340 0.000 2.447 683 S HA 0.053 4.526 4.470 0.006 0.000 0.233 683 S C 1.697 176.019 174.600 -0.464 0.000 1.006 683 S CA 0.657 58.590 58.200 -0.445 0.000 0.957 683 S CB -0.528 62.244 63.200 -0.712 0.000 0.773 683 S HN 0.402 nan 8.310 nan 0.000 0.507 684 L N -0.021 120.898 121.223 -0.506 0.000 2.095 684 L HA 0.074 4.417 4.340 0.006 0.000 0.204 684 L C 2.540 179.185 176.870 -0.374 0.000 1.080 684 L CA 0.692 55.303 54.840 -0.381 0.000 0.759 684 L CB -0.515 41.273 42.059 -0.451 0.000 0.914 684 L HN 0.301 nan 8.230 nan 0.000 0.439 685 L N 0.143 121.078 121.223 -0.479 0.000 2.027 685 L HA -0.125 4.219 4.340 0.006 0.000 0.206 685 L C 2.263 178.980 176.870 -0.253 0.000 1.074 685 L CA 1.777 56.380 54.840 -0.395 0.000 0.745 685 L CB -0.917 40.879 42.059 -0.440 0.000 0.898 685 L HN 0.222 nan 8.230 nan 0.000 0.433 686 N N 0.096 118.664 118.700 -0.219 0.000 2.120 686 N HA -0.192 4.552 4.740 0.006 0.000 0.188 686 N C 1.708 177.150 175.510 -0.114 0.000 1.024 686 N CA 1.629 54.589 53.050 -0.151 0.000 0.852 686 N CB -0.239 38.174 38.487 -0.122 0.000 1.003 686 N HN 0.545 nan 8.380 nan 0.000 0.424 687 E N 0.220 120.359 120.200 -0.102 0.000 2.204 687 E HA -0.029 4.325 4.350 0.006 0.000 0.195 687 E C 0.289 176.844 176.600 -0.075 0.000 0.990 687 E CA 0.576 56.945 56.400 -0.053 0.000 0.821 687 E CB -0.070 29.633 29.700 0.005 0.000 0.750 687 E HN 0.435 nan 8.360 nan 0.000 0.477 688 G N 0.480 109.212 108.800 -0.113 0.000 2.894 688 G HA2 -0.177 3.786 3.960 0.006 0.000 0.263 688 G HA3 -0.177 3.786 3.960 0.006 0.000 0.263 688 G C 0.088 174.927 174.900 -0.101 0.000 1.013 688 G CA -0.215 44.825 45.100 -0.100 0.000 1.226 688 G HN 0.205 nan 8.290 nan 0.000 0.563 689 L N -0.590 120.564 121.223 -0.115 0.000 3.617 689 L HA 0.300 4.643 4.340 0.006 0.000 0.336 689 L C 0.363 177.226 176.870 -0.012 0.000 1.141 689 L CA 0.033 54.814 54.840 -0.098 0.000 1.225 689 L CB 0.958 42.907 42.059 -0.183 0.000 1.725 689 L HN 0.326 nan 8.230 nan 0.000 0.621 690 V N 0.117 119.990 119.914 -0.068 0.000 2.925 690 V HA 0.449 4.572 4.120 0.006 0.000 0.311 690 V C -1.200 174.911 176.094 0.029 0.000 1.104 690 V CA -0.511 61.767 62.300 -0.035 0.000 0.954 690 V CB 2.855 34.493 31.823 -0.307 0.000 1.022 690 V HN 0.098 nan 8.190 nan 0.000 0.427 691 E N 2.037 122.336 120.200 0.165 0.000 2.334 691 E HA 0.361 4.714 4.350 0.006 0.000 0.280 691 E C -1.595 175.193 176.600 0.313 0.000 0.899 691 E CA -0.542 55.976 56.400 0.196 0.000 0.813 691 E CB 1.372 31.181 29.700 0.182 0.000 1.318 691 E HN 0.727 nan 8.360 nan 0.000 0.399 692 Y N 4.439 124.721 120.300 -0.031 0.000 2.713 692 Y HA 0.046 4.599 4.550 0.006 0.000 0.341 692 Y C 0.436 176.292 175.900 -0.074 0.000 1.167 692 Y CA -0.585 57.470 58.100 -0.075 0.000 1.503 692 Y CB 0.319 38.565 38.460 -0.357 0.000 1.199 692 Y HN 0.290 nan 8.280 nan 0.000 0.525 693 I N 5.085 125.725 120.570 0.116 0.000 2.339 693 I HA 0.088 4.261 4.170 0.006 0.000 0.290 693 I C 0.203 176.401 176.117 0.135 0.000 0.994 693 I CA -1.015 60.321 61.300 0.061 0.000 1.191 693 I CB 0.975 38.947 38.000 -0.046 0.000 1.343 693 I HN 0.662 nan 8.210 nan 0.000 0.458 694 D N 5.460 125.946 120.400 0.143 0.000 2.466 694 D HA 0.330 4.974 4.640 0.006 0.000 0.262 694 D C 0.722 177.095 176.300 0.121 0.000 1.177 694 D CA -0.476 53.625 54.000 0.169 0.000 1.035 694 D CB 1.832 42.729 40.800 0.162 0.000 1.105 694 D HN 0.416 nan 8.370 nan 0.000 0.551 695 A N -0.120 122.778 122.820 0.129 0.000 1.969 695 A HA -0.152 4.172 4.320 0.006 0.000 0.218 695 A C 2.020 179.713 177.584 0.182 0.000 1.169 695 A CA 1.719 53.857 52.037 0.169 0.000 0.635 695 A CB -0.716 18.426 19.000 0.237 0.000 0.810 695 A HN 0.702 nan 8.150 nan 0.000 0.445 696 E N -0.073 120.190 120.200 0.104 0.000 2.107 696 E HA -0.152 4.202 4.350 0.006 0.000 0.191 696 E C 1.913 178.565 176.600 0.086 0.000 0.982 696 E CA 1.366 57.808 56.400 0.070 0.000 0.809 696 E CB -0.126 29.561 29.700 -0.023 0.000 0.756 696 E HN 0.705 nan 8.360 nan 0.000 0.459 697 E N 0.018 120.268 120.200 0.084 0.000 2.358 697 E HA -0.147 4.207 4.350 0.006 0.000 0.195 697 E C 1.558 178.185 176.600 0.045 0.000 1.010 697 E CA 0.355 56.796 56.400 0.068 0.000 0.856 697 E CB 0.060 29.796 29.700 0.060 0.000 0.795 697 E HN 0.280 nan 8.360 nan 0.000 0.504 698 E N 0.420 120.654 120.200 0.057 0.000 2.333 698 E HA -0.168 4.186 4.350 0.006 0.000 0.198 698 E C 1.375 178.007 176.600 0.054 0.000 1.007 698 E CA 0.518 56.944 56.400 0.043 0.000 0.845 698 E CB 0.216 29.960 29.700 0.073 0.000 0.766 698 E HN 0.224 nan 8.360 nan 0.000 0.507 699 E N -0.483 119.764 120.200 0.078 0.000 2.427 699 E HA -0.070 4.284 4.350 0.006 0.000 0.196 699 E C 1.552 178.184 176.600 0.053 0.000 1.028 699 E CA 0.830 57.277 56.400 0.078 0.000 0.864 699 E CB 0.434 30.189 29.700 0.092 0.000 0.813 699 E HN 0.222 nan 8.360 nan 0.000 0.514 700 S N -0.236 115.495 115.700 0.051 0.000 2.578 700 S HA 0.110 4.584 4.470 0.006 0.000 0.228 700 S C 0.779 175.418 174.600 0.065 0.000 1.022 700 S CA -0.616 57.615 58.200 0.052 0.000 0.967 700 S CB 0.191 63.423 63.200 0.053 0.000 0.914 700 S HN 0.144 nan 8.310 nan 0.000 0.515 701 I N -0.023 120.589 120.570 0.070 0.000 2.750 701 I HA 0.738 4.912 4.170 0.006 0.000 0.308 701 I C -1.141 175.044 176.117 0.112 0.000 1.016 701 I CA -1.555 59.817 61.300 0.120 0.000 1.098 701 I CB 1.584 39.675 38.000 0.151 0.000 1.279 701 I HN 0.220 nan 8.210 nan 0.000 0.454 702 L N 5.405 126.728 121.223 0.166 0.000 2.319 702 L HA 0.591 4.935 4.340 0.006 0.000 0.281 702 L C -0.976 176.081 176.870 0.312 0.000 1.005 702 L CA -0.216 54.724 54.840 0.167 0.000 0.828 702 L CB 1.103 43.217 42.059 0.091 0.000 1.227 702 L HN 0.594 nan 8.230 nan 0.000 0.415 703 I N 4.490 125.210 120.570 0.250 0.000 2.428 703 I HA 0.624 4.798 4.170 0.006 0.000 0.296 703 I C 0.230 176.429 176.117 0.137 0.000 0.985 703 I CA -0.369 61.053 61.300 0.204 0.000 1.260 703 I CB 1.834 39.896 38.000 0.103 0.000 1.389 703 I HN 0.752 nan 8.210 nan 0.000 0.484 704 A N 5.250 127.969 122.820 -0.168 0.000 2.305 704 A HA 0.479 4.803 4.320 0.006 0.000 0.322 704 A C 0.501 177.941 177.584 -0.240 0.000 1.187 704 A CA -0.575 51.144 52.037 -0.531 0.000 0.825 704 A CB 1.190 19.410 19.000 -1.299 0.000 1.164 704 A HN 0.828 nan 8.150 nan 0.000 0.498 705 M N 0.772 120.257 119.600 -0.191 0.000 2.077 705 M HA -0.050 4.434 4.480 0.006 0.000 0.261 705 M C 0.769 176.986 176.300 -0.139 0.000 1.070 705 M CA 1.944 57.172 55.300 -0.120 0.000 1.125 705 M CB -0.127 32.399 32.600 -0.123 0.000 1.339 705 M HN 0.759 nan 8.290 nan 0.000 0.409 706 Q N -0.870 118.827 119.800 -0.171 0.000 2.342 706 Q HA 0.273 4.616 4.340 0.006 0.000 0.267 706 Q C -2.053 173.859 176.000 -0.147 0.000 1.038 706 Q CA -2.039 53.677 55.803 -0.145 0.000 0.832 706 Q CB 1.395 30.056 28.738 -0.128 0.000 1.323 706 Q HN 0.021 nan 8.270 nan 0.000 0.448 707 P HA -0.260 nan 4.420 nan 0.000 0.213 707 P C 0.905 178.151 177.300 -0.091 0.000 1.170 707 P CA 1.516 64.557 63.100 -0.099 0.000 0.893 707 P CB 0.204 31.860 31.700 -0.073 0.000 0.784 708 E N -0.478 119.687 120.200 -0.058 0.000 2.046 708 E HA -0.149 4.204 4.350 0.006 0.000 0.190 708 E C 1.037 177.612 176.600 -0.041 0.000 0.982 708 E CA 1.169 57.550 56.400 -0.032 0.000 0.800 708 E CB -0.922 28.776 29.700 -0.004 0.000 0.756 708 E HN 0.163 nan 8.360 nan 0.000 0.449 709 D N 0.100 120.457 120.400 -0.071 0.000 2.339 709 D HA 0.085 4.728 4.640 0.006 0.000 0.217 709 D C 1.344 177.506 176.300 -0.230 0.000 1.050 709 D CA 0.194 54.131 54.000 -0.104 0.000 0.856 709 D CB 0.615 41.362 40.800 -0.089 0.000 0.922 709 D HN 0.184 nan 8.370 nan 0.000 0.518 710 L N 0.457 121.557 121.223 -0.204 0.000 2.664 710 L HA 0.163 4.507 4.340 0.006 0.000 0.233 710 L C 0.298 177.152 176.870 -0.027 0.000 1.113 710 L CA 0.623 55.312 54.840 -0.251 0.000 0.896 710 L CB 0.286 42.154 42.059 -0.317 0.000 1.163 710 L HN 0.089 nan 8.230 nan 0.000 0.497 711 E N -0.927 119.286 120.200 0.021 0.000 3.844 711 E HA 0.215 4.569 4.350 0.006 0.000 0.260 711 E C -2.538 174.071 176.600 0.015 0.000 1.163 711 E CA -0.795 55.677 56.400 0.120 0.000 1.261 711 E CB 0.564 30.326 29.700 0.104 0.000 1.261 711 E HN 0.071 nan 8.360 nan 0.000 0.399 712 P HA 0.439 nan 4.420 nan 0.000 0.186 712 P C -0.001 177.197 177.300 -0.170 0.000 1.117 712 P CA 0.648 63.709 63.100 -0.064 0.000 0.832 712 P CB 0.441 32.148 31.700 0.012 0.000 0.713 713 A N -1.446 121.320 122.820 -0.089 0.000 2.583 713 A HA 0.618 4.941 4.320 0.006 0.000 0.289 713 A C -0.590 176.912 177.584 -0.138 0.000 1.151 713 A CA -0.496 51.461 52.037 -0.134 0.000 0.695 713 A CB 0.831 19.771 19.000 -0.099 0.000 1.290 713 A HN 0.048 nan 8.150 nan 0.000 0.419 723 V N 2.458 122.389 119.914 0.028 0.000 2.521 723 V HA 0.287 4.411 4.120 0.006 0.000 0.286 723 V C -0.005 176.108 176.094 0.032 0.000 1.034 723 V CA -0.057 62.261 62.300 0.031 0.000 1.045 723 V CB 0.609 32.451 31.823 0.031 0.000 0.974 723 V HN 0.354 nan 8.190 nan 0.000 0.480 724 D N 6.620 127.041 120.400 0.035 0.000 2.358 724 D HA 0.197 4.840 4.640 0.006 0.000 0.258 724 D C -1.400 174.922 176.300 0.038 0.000 1.223 724 D CA -1.532 52.490 54.000 0.037 0.000 0.886 724 D CB 1.582 42.407 40.800 0.042 0.000 1.120 724 D HN 0.269 nan 8.370 nan 0.000 0.482 725 P HA -0.094 nan 4.420 nan 0.000 0.221 725 P C 0.784 178.106 177.300 0.037 0.000 1.145 725 P CA 0.936 64.056 63.100 0.033 0.000 0.795 725 P CB 0.213 31.930 31.700 0.030 0.000 0.775 726 A N -0.507 122.338 122.820 0.042 0.000 1.897 726 A HA -0.089 4.234 4.320 0.006 0.000 0.215 726 A C 1.231 178.849 177.584 0.057 0.000 1.181 726 A CA 0.843 52.909 52.037 0.048 0.000 0.620 726 A CB -0.711 18.318 19.000 0.049 0.000 0.821 726 A HN 0.124 nan 8.150 nan 0.000 0.443 727 K N 1.120 121.554 120.400 0.058 0.000 2.414 727 K HA 0.120 4.444 4.320 0.006 0.000 0.272 727 K C 0.345 176.978 176.600 0.054 0.000 0.993 727 K CA -0.256 56.071 56.287 0.066 0.000 0.964 727 K CB 0.466 33.003 32.500 0.063 0.000 0.925 727 K HN 0.616 nan 8.250 nan 0.000 0.487 728 R N 1.882 122.415 120.500 0.056 0.000 2.863 728 R HA 0.098 4.442 4.340 0.006 0.000 0.273 728 R C 0.010 176.329 176.300 0.031 0.000 1.057 728 R CA -0.315 55.806 56.100 0.035 0.000 1.191 728 R CB 0.118 30.433 30.300 0.025 0.000 1.104 728 R HN 0.344 nan 8.270 nan 0.000 0.519 729 I N 1.445 122.028 120.570 0.021 0.000 2.301 729 I HA 0.290 4.463 4.170 0.006 0.000 0.292 729 I C 0.501 176.627 176.117 0.015 0.000 1.046 729 I CA -0.328 60.984 61.300 0.020 0.000 1.282 729 I CB 0.529 38.540 38.000 0.018 0.000 1.409 729 I HN 0.653 nan 8.210 nan 0.000 0.484 730 R N 4.467 124.976 120.500 0.016 0.000 2.604 730 R HA 0.582 4.926 4.340 0.006 0.000 0.287 730 R C 0.352 176.661 176.300 0.015 0.000 0.970 730 R CA -0.577 55.526 56.100 0.005 0.000 0.946 730 R CB 1.989 32.287 30.300 -0.003 0.000 1.127 730 R HN 0.420 nan 8.270 nan 0.000 0.473 731 V N 1.080 121.003 119.914 0.014 0.000 2.233 731 V HA 0.033 4.156 4.120 0.006 0.000 0.174 731 V C 0.654 176.801 176.094 0.089 0.000 0.888 731 V CA 0.679 63.010 62.300 0.052 0.000 1.161 731 V CB -0.354 31.498 31.823 0.049 0.000 0.717 731 V HN 0.834 nan 8.190 nan 0.000 0.460 732 S N -2.895 112.882 115.700 0.127 0.000 3.211 732 S HA 0.397 4.870 4.470 0.006 0.000 0.320 732 S C 0.519 175.132 174.600 0.022 0.000 1.225 732 S CA -0.224 58.040 58.200 0.106 0.000 1.044 732 S CB 0.715 64.014 63.200 0.166 0.000 1.410 732 S HN 0.672 nan 8.310 nan 0.000 0.640 733 H N 0.798 119.850 119.070 -0.031 0.000 2.268 733 H HA 0.333 4.892 4.556 0.006 0.000 0.313 733 H C 0.327 175.701 175.328 0.076 0.000 1.056 733 H CA 1.553 57.625 56.048 0.039 0.000 1.369 733 H CB -0.351 29.398 29.762 -0.022 0.000 1.422 733 H HN 0.620 nan 8.280 nan 0.000 0.520 734 H N -0.651 118.521 119.070 0.170 0.000 2.932 734 H HA -0.107 4.453 4.556 0.006 0.000 0.290 734 H C -0.339 174.972 175.328 -0.028 0.000 1.108 734 H CA 0.841 56.917 56.048 0.047 0.000 1.172 734 H CB -1.562 28.219 29.762 0.032 0.000 1.325 734 H HN 0.483 nan 8.280 nan 0.000 0.354 735 A N -0.738 122.070 122.820 -0.020 0.000 2.486 735 A HA 0.570 4.893 4.320 0.006 0.000 0.300 735 A C 0.908 178.237 177.584 -0.425 0.000 1.048 735 A CA 0.070 51.941 52.037 -0.276 0.000 0.696 735 A CB 1.487 20.208 19.000 -0.466 0.000 1.278 735 A HN 0.073 nan 8.150 nan 0.000 0.405 736 T N 0.266 114.601 114.554 -0.366 0.000 3.056 736 T HA 0.087 4.441 4.350 0.006 0.000 0.241 736 T C 0.906 175.442 174.700 -0.273 0.000 1.006 736 T CA 1.570 63.526 62.100 -0.239 0.000 1.115 736 T CB 0.036 68.830 68.868 -0.123 0.000 0.939 736 T HN 0.898 nan 8.240 nan 0.000 0.462 737 T N 1.481 115.844 114.554 -0.319 0.000 3.326 737 T HA 0.497 4.851 4.350 0.006 0.000 0.274 737 T C -0.231 174.393 174.700 -0.126 0.000 1.608 737 T CA -0.578 61.426 62.100 -0.159 0.000 1.433 737 T CB -1.313 67.502 68.868 -0.087 0.000 1.034 737 T HN 0.129 nan 8.240 nan 0.000 0.694 738 F N 2.656 122.629 119.950 0.037 0.000 2.533 738 F HA 0.191 4.722 4.527 0.006 0.000 0.378 738 F C 2.099 177.916 175.800 0.027 0.000 1.070 738 F CA -0.496 57.530 58.000 0.044 0.000 1.172 738 F CB 0.854 39.880 39.000 0.044 0.000 1.085 738 F HN 0.478 nan 8.300 nan 0.000 0.552 739 T N -1.030 113.669 114.554 0.241 0.000 3.044 739 T HA 0.140 4.493 4.350 0.006 0.000 0.255 739 T C 0.166 174.743 174.700 -0.204 0.000 1.073 739 T CA 0.481 62.608 62.100 0.045 0.000 1.125 739 T CB -0.114 68.835 68.868 0.135 0.000 0.908 739 T HN 0.522 nan 8.240 nan 0.000 0.480 740 H N -1.126 118.031 119.070 0.145 0.000 2.985 740 H HA 0.733 5.293 4.556 0.006 0.000 0.360 740 H C -1.070 174.310 175.328 0.086 0.000 1.221 740 H CA -0.891 55.226 56.048 0.115 0.000 1.121 740 H CB 1.743 31.569 29.762 0.106 0.000 1.854 740 H HN 0.328 nan 8.280 nan 0.000 0.551 741 C N 0.709 120.147 119.300 0.230 0.000 3.044 741 C HA 0.616 5.079 4.460 0.006 0.000 0.315 741 C C -0.611 174.485 174.990 0.177 0.000 1.320 741 C CA -0.374 58.722 59.018 0.130 0.000 1.582 741 C CB 1.469 29.248 27.740 0.065 0.000 2.039 741 C HN 0.923 nan 8.230 nan 0.000 0.466 742 E N 1.283 121.543 120.200 0.100 0.000 2.249 742 E HA 0.379 4.733 4.350 0.006 0.000 0.280 742 E C 0.971 177.570 176.600 -0.001 0.000 1.016 742 E CA -0.348 56.074 56.400 0.035 0.000 0.830 742 E CB 0.671 30.386 29.700 0.025 0.000 1.081 742 E HN 0.485 nan 8.360 nan 0.000 0.395 743 I N 2.235 122.658 120.570 -0.245 0.000 2.315 743 I HA -0.067 4.107 4.170 0.006 0.000 0.248 743 I C 0.487 176.502 176.117 -0.170 0.000 1.117 743 I CA 1.331 62.378 61.300 -0.421 0.000 1.404 743 I CB -0.987 36.652 38.000 -0.601 0.000 1.071 743 I HN 0.616 nan 8.210 nan 0.000 0.419 744 H N -1.415 117.488 119.070 -0.277 0.000 3.027 744 H HA 0.127 4.687 4.556 0.006 0.000 0.290 744 H C -2.321 172.925 175.328 -0.136 0.000 1.190 744 H CA -0.735 55.165 56.048 -0.248 0.000 1.637 744 H CB 1.309 30.736 29.762 -0.558 0.000 2.214 744 H HN -0.302 nan 8.280 nan 0.000 0.451 745 P HA -0.191 nan 4.420 nan 0.000 0.216 745 P C 1.205 178.683 177.300 0.297 0.000 1.150 745 P CA 2.079 65.209 63.100 0.050 0.000 0.843 745 P CB 0.178 31.773 31.700 -0.174 0.000 0.787 746 S N -2.085 114.028 115.700 0.687 0.000 2.547 746 S HA -0.036 4.438 4.470 0.006 0.000 0.235 746 S C 1.477 176.191 174.600 0.189 0.000 0.980 746 S CA 0.733 59.239 58.200 0.510 0.000 0.941 746 S CB -0.933 62.524 63.200 0.428 0.000 0.763 746 S HN 0.004 nan 8.310 nan 0.000 0.532 747 M N 1.862 121.502 119.600 0.066 0.000 2.639 747 M HA 0.288 4.772 4.480 0.006 0.000 0.220 747 M C 1.327 177.513 176.300 -0.190 0.000 1.155 747 M CA 0.172 55.427 55.300 -0.076 0.000 1.003 747 M CB -1.215 31.282 32.600 -0.172 0.000 1.725 747 M HN 0.608 nan 8.290 nan 0.000 0.489 748 I N -3.070 117.365 120.570 -0.225 0.000 3.728 748 I HA 0.145 4.318 4.170 0.006 0.000 0.307 748 I C 0.544 176.515 176.117 -0.243 0.000 1.276 748 I CA 0.063 61.127 61.300 -0.393 0.000 1.285 748 I CB 0.100 37.681 38.000 -0.699 0.000 1.038 748 I HN -0.027 nan 8.210 nan 0.000 0.445 749 L N 1.626 122.766 121.223 -0.138 0.000 2.399 749 L HA 0.601 4.945 4.340 0.006 0.000 0.265 749 L C 1.064 177.873 176.870 -0.103 0.000 1.089 749 L CA -0.548 54.229 54.840 -0.105 0.000 0.802 749 L CB 1.175 43.191 42.059 -0.071 0.000 1.180 749 L HN 0.173 nan 8.230 nan 0.000 0.454 750 G N 0.273 109.010 108.800 -0.105 0.000 2.535 750 G HA2 0.339 4.302 3.960 0.006 0.000 0.282 750 G HA3 0.339 4.302 3.960 0.006 0.000 0.282 750 G C 0.997 175.840 174.900 -0.095 0.000 1.350 750 G CA -0.510 44.531 45.100 -0.098 0.000 1.039 750 G HN 0.396 nan 8.290 nan 0.000 0.509 751 V N 0.808 120.664 119.914 -0.096 0.000 2.295 751 V HA -0.178 3.945 4.120 0.006 0.000 0.246 751 V C 3.290 179.305 176.094 -0.132 0.000 1.049 751 V CA 2.598 64.830 62.300 -0.113 0.000 1.024 751 V CB -1.136 30.617 31.823 -0.116 0.000 0.648 751 V HN 0.777 nan 8.190 nan 0.000 0.447 752 A N -0.099 122.650 122.820 -0.119 0.000 1.930 752 A HA 0.031 4.355 4.320 0.006 0.000 0.217 752 A C 2.278 179.771 177.584 -0.152 0.000 1.175 752 A CA 1.712 53.672 52.037 -0.127 0.000 0.627 752 A CB -0.652 18.294 19.000 -0.090 0.000 0.815 752 A HN 0.588 nan 8.150 nan 0.000 0.443 753 A N -0.859 121.880 122.820 -0.135 0.000 2.206 753 A HA 0.145 4.469 4.320 0.006 0.000 0.211 753 A C 2.025 179.510 177.584 -0.166 0.000 1.158 753 A CA 1.230 53.185 52.037 -0.137 0.000 0.761 753 A CB -0.502 18.433 19.000 -0.109 0.000 0.801 753 A HN 0.356 nan 8.150 nan 0.000 0.473 754 S N -0.009 115.584 115.700 -0.178 0.000 2.555 754 S HA 0.048 4.521 4.470 0.006 0.000 0.230 754 S C 1.168 175.601 174.600 -0.280 0.000 0.978 754 S CA 0.625 58.713 58.200 -0.187 0.000 0.934 754 S CB -0.190 62.920 63.200 -0.149 0.000 0.766 754 S HN 0.597 nan 8.310 nan 0.000 0.533 755 I N 0.166 120.529 120.570 -0.345 0.000 4.082 755 I HA 0.311 4.484 4.170 0.006 0.000 0.337 755 I C 0.189 176.049 176.117 -0.428 0.000 1.352 755 I CA 0.244 61.241 61.300 -0.504 0.000 1.097 755 I CB -0.468 37.110 38.000 -0.703 0.000 1.048 755 I HN 0.146 nan 8.210 nan 0.000 0.393 756 I N 5.621 125.994 120.570 -0.328 0.000 2.371 756 I HA 0.195 4.369 4.170 0.006 0.000 0.290 756 I C -2.159 173.780 176.117 -0.297 0.000 1.028 756 I CA -1.472 59.641 61.300 -0.311 0.000 1.345 756 I CB 1.288 39.161 38.000 -0.211 0.000 1.407 756 I HN -0.170 nan 8.210 nan 0.000 0.501 757 P HA 0.241 nan 4.420 nan 0.000 0.292 757 P C -0.523 176.655 177.300 -0.203 0.000 1.287 757 P CA -0.385 62.475 63.100 -0.401 0.000 0.800 757 P CB 0.570 32.059 31.700 -0.352 0.000 0.945 758 F N 1.893 121.836 119.950 -0.011 0.000 2.969 758 F HA -0.177 4.354 4.527 0.006 0.000 0.273 758 F C -1.007 174.853 175.800 0.101 0.000 0.986 758 F CA -0.374 57.657 58.000 0.053 0.000 0.926 758 F CB -2.018 36.979 39.000 -0.005 0.000 0.887 758 F HN 0.328 nan 8.300 nan 0.000 0.816 759 P HA -0.205 nan 4.420 nan 0.000 0.216 759 P C 1.448 178.831 177.300 0.138 0.000 1.150 759 P CA 2.140 65.297 63.100 0.096 0.000 0.837 759 P CB 0.059 31.750 31.700 -0.016 0.000 0.786 760 D N -0.800 119.674 120.400 0.124 0.000 2.178 760 D HA -0.214 4.430 4.640 0.006 0.000 0.201 760 D C 1.296 177.670 176.300 0.122 0.000 0.980 760 D CA 1.192 55.285 54.000 0.154 0.000 0.842 760 D CB -1.691 39.216 40.800 0.178 0.000 0.948 760 D HN 0.334 nan 8.370 nan 0.000 0.472 761 H N -0.027 119.131 119.070 0.146 0.000 2.669 761 H HA 0.297 4.856 4.556 0.006 0.000 0.297 761 H C -0.258 175.119 175.328 0.083 0.000 1.071 761 H CA -0.034 56.073 56.048 0.097 0.000 1.182 761 H CB -0.346 29.451 29.762 0.058 0.000 1.343 761 H HN 0.183 nan 8.280 nan 0.000 0.582 762 N N 0.610 119.420 118.700 0.184 0.000 2.371 762 N HA -0.005 4.739 4.740 0.006 0.000 0.280 762 N C -1.096 174.482 175.510 0.114 0.000 1.084 762 N CA -0.557 52.586 53.050 0.155 0.000 0.892 762 N CB 1.946 40.562 38.487 0.214 0.000 1.653 762 N HN 0.104 nan 8.380 nan 0.000 0.480 763 Q N 1.952 121.807 119.800 0.092 0.000 2.330 763 Q HA 0.086 4.429 4.340 0.006 0.000 0.279 763 Q C 0.316 176.352 176.000 0.061 0.000 1.024 763 Q CA 0.369 56.214 55.803 0.070 0.000 0.900 763 Q CB 0.745 29.522 28.738 0.066 0.000 1.221 763 Q HN 0.760 nan 8.270 nan 0.000 0.396 764 S N 4.653 120.376 115.700 0.038 0.000 2.359 764 S HA -0.122 4.352 4.470 0.006 0.000 0.222 764 S C -1.069 173.504 174.600 -0.045 0.000 1.038 764 S CA 1.775 59.980 58.200 0.008 0.000 1.051 764 S CB -0.680 62.522 63.200 0.003 0.000 0.944 764 S HN 0.743 nan 8.310 nan 0.000 0.433 765 P HA -0.071 nan 4.420 nan 0.000 0.222 765 P C 1.015 178.107 177.300 -0.348 0.000 1.147 765 P CA 0.907 63.880 63.100 -0.212 0.000 0.790 765 P CB -0.033 31.600 31.700 -0.111 0.000 0.780 766 R N -0.150 120.334 120.500 -0.027 0.000 2.115 766 R HA 0.014 4.358 4.340 0.006 0.000 0.226 766 R C 1.786 178.128 176.300 0.070 0.000 1.100 766 R CA 0.715 56.915 56.100 0.167 0.000 0.980 766 R CB -1.244 29.174 30.300 0.197 0.000 0.875 766 R HN 0.226 nan 8.270 nan 0.000 0.445 767 N N -0.266 118.430 118.700 -0.006 0.000 2.354 767 N HA -0.050 4.693 4.740 0.006 0.000 0.179 767 N C 1.375 176.837 175.510 -0.080 0.000 1.021 767 N CA 1.030 54.070 53.050 -0.017 0.000 0.887 767 N CB -0.135 38.346 38.487 -0.010 0.000 0.974 767 N HN 0.104 nan 8.380 nan 0.000 0.437 768 T N 0.160 114.608 114.554 -0.177 0.000 2.708 768 T HA -0.105 4.249 4.350 0.006 0.000 0.266 768 T C 1.528 176.113 174.700 -0.190 0.000 1.037 768 T CA 1.142 63.096 62.100 -0.243 0.000 1.146 768 T CB -0.464 68.165 68.868 -0.399 0.000 0.865 768 T HN 0.316 nan 8.240 nan 0.000 0.435 769 Y N 1.346 121.641 120.300 -0.009 0.000 2.128 769 Y HA -0.221 4.332 4.550 0.006 0.000 0.284 769 Y C 2.950 178.841 175.900 -0.016 0.000 1.154 769 Y CA 1.105 59.201 58.100 -0.007 0.000 1.149 769 Y CB -0.396 38.067 38.460 0.006 0.000 0.976 769 Y HN 0.140 nan 8.280 nan 0.000 0.505 770 Q N 0.549 120.411 119.800 0.102 0.000 2.181 770 Q HA -0.156 4.187 4.340 0.006 0.000 0.205 770 Q C 1.957 177.951 176.000 -0.010 0.000 0.980 770 Q CA 2.108 57.925 55.803 0.023 0.000 0.862 770 Q CB -0.413 28.300 28.738 -0.041 0.000 0.905 770 Q HN 0.314 nan 8.270 nan 0.000 0.429 771 S N -0.475 115.211 115.700 -0.024 0.000 2.489 771 S HA 0.119 4.593 4.470 0.006 0.000 0.228 771 S C 1.654 176.244 174.600 -0.017 0.000 0.995 771 S CA 0.501 58.675 58.200 -0.043 0.000 0.934 771 S CB -0.123 63.035 63.200 -0.068 0.000 0.771 771 S HN 0.566 nan 8.310 nan 0.000 0.522 772 A N 1.742 124.571 122.820 0.015 0.000 1.843 772 A HA 0.121 4.444 4.320 0.006 0.000 0.213 772 A C 2.085 179.691 177.584 0.038 0.000 1.202 772 A CA 0.923 52.979 52.037 0.033 0.000 0.607 772 A CB -0.594 18.448 19.000 0.070 0.000 0.847 772 A HN 0.395 nan 8.150 nan 0.000 0.445 773 M N -0.229 119.402 119.600 0.051 0.000 2.080 773 M HA -0.107 4.377 4.480 0.006 0.000 0.260 773 M C 2.297 178.620 176.300 0.039 0.000 1.068 773 M CA 1.448 56.775 55.300 0.045 0.000 1.109 773 M CB -0.746 31.881 32.600 0.045 0.000 1.342 773 M HN 0.544 nan 8.290 nan 0.000 0.405 774 G N 1.021 109.836 108.800 0.025 0.000 2.679 774 G HA2 -0.330 3.633 3.960 0.006 0.000 0.222 774 G HA3 -0.330 3.633 3.960 0.006 0.000 0.222 774 G C 1.453 176.392 174.900 0.065 0.000 1.164 774 G CA 1.745 46.864 45.100 0.032 0.000 0.769 774 G HN 0.466 nan 8.290 nan 0.000 0.610 775 K N -0.106 120.322 120.400 0.047 0.000 2.360 775 K HA -0.037 4.286 4.320 0.006 0.000 0.201 775 K C 2.377 179.042 176.600 0.109 0.000 1.046 775 K CA 1.145 57.469 56.287 0.061 0.000 0.945 775 K CB -0.006 32.508 32.500 0.025 0.000 0.750 775 K HN 0.408 nan 8.250 nan 0.000 0.464 776 Q N -0.304 119.554 119.800 0.096 0.000 2.247 776 Q HA 0.218 4.562 4.340 0.006 0.000 0.211 776 Q C -0.232 175.887 176.000 0.199 0.000 0.861 776 Q CA -0.421 55.442 55.803 0.099 0.000 0.949 776 Q CB 1.109 29.832 28.738 -0.025 0.000 1.115 776 Q HN 0.204 nan 8.270 nan 0.000 0.507 777 A N 1.146 124.054 122.820 0.147 0.000 2.351 777 A HA 0.433 4.757 4.320 0.006 0.000 0.257 777 A C -0.363 177.244 177.584 0.039 0.000 1.087 777 A CA -0.146 51.945 52.037 0.089 0.000 0.798 777 A CB 0.376 19.440 19.000 0.108 0.000 1.033 777 A HN 0.345 nan 8.150 nan 0.000 0.488 778 M N 2.383 121.959 119.600 -0.040 0.000 2.190 778 M HA 0.588 5.072 4.480 0.006 0.000 0.312 778 M C -0.097 176.138 176.300 -0.107 0.000 0.990 778 M CA 0.149 55.325 55.300 -0.206 0.000 0.927 778 M CB 1.328 33.796 32.600 -0.220 0.000 1.571 778 M HN 0.958 nan 8.290 nan 0.000 0.427 779 G N 2.408 111.127 108.800 -0.136 0.000 2.588 779 G HA2 0.381 4.345 3.960 0.006 0.000 0.281 779 G HA3 0.381 4.345 3.960 0.006 0.000 0.281 779 G C -1.476 173.351 174.900 -0.121 0.000 1.223 779 G CA -0.626 44.410 45.100 -0.106 0.000 0.871 779 G HN 0.449 nan 8.290 nan 0.000 0.492 780 V N 2.441 122.256 119.914 -0.166 0.000 2.416 780 V HA 0.138 4.261 4.120 0.006 0.000 0.260 780 V C 1.152 177.110 176.094 -0.226 0.000 1.018 780 V CA 0.784 62.931 62.300 -0.255 0.000 1.120 780 V CB -1.045 30.629 31.823 -0.249 0.000 1.081 780 V HN 0.596 nan 8.190 nan 0.000 0.474 781 F N 4.047 123.910 119.950 -0.145 0.000 2.743 781 F HA 0.623 5.153 4.527 0.005 0.000 0.297 781 F C 0.225 175.995 175.800 -0.049 0.000 1.131 781 F CA -0.260 57.703 58.000 -0.062 0.000 1.426 781 F CB 0.019 38.988 39.000 -0.052 0.000 1.116 781 F HN 0.271 nan 8.300 nan 0.000 0.583 782 L N -0.419 120.428 121.223 -0.627 0.000 2.765 782 L HA 0.145 4.489 4.340 0.006 0.000 0.254 782 L C 0.530 177.203 176.870 -0.328 0.000 0.939 782 L CA -0.354 54.265 54.840 -0.367 0.000 0.949 782 L CB 1.991 43.951 42.059 -0.165 0.000 1.521 782 L HN -0.188 nan 8.230 nan 0.000 0.434 783 T N -0.833 113.642 114.554 -0.132 0.000 3.118 783 T HA -0.010 4.344 4.350 0.006 0.000 0.260 783 T C 0.888 175.506 174.700 -0.137 0.000 1.139 783 T CA 0.932 62.990 62.100 -0.071 0.000 1.085 783 T CB -0.432 68.500 68.868 0.106 0.000 0.934 783 T HN 0.577 nan 8.240 nan 0.000 0.518 784 N N 0.893 119.508 118.700 -0.141 0.000 2.458 784 N HA 0.029 4.773 4.740 0.006 0.000 0.274 784 N C 0.838 176.212 175.510 -0.225 0.000 1.242 784 N CA -0.608 52.343 53.050 -0.165 0.000 0.904 784 N CB -0.616 37.842 38.487 -0.048 0.000 1.206 784 N HN 0.503 nan 8.380 nan 0.000 0.510 785 Y N -0.648 119.463 120.300 -0.315 0.000 2.439 785 Y HA 0.163 4.717 4.550 0.005 0.000 0.292 785 Y C 1.706 177.406 175.900 -0.335 0.000 1.130 785 Y CA 0.490 58.357 58.100 -0.388 0.000 1.254 785 Y CB -0.733 37.347 38.460 -0.633 0.000 1.000 785 Y HN 0.031 nan 8.280 nan 0.000 0.554 786 N N 0.745 119.023 118.700 -0.703 0.000 2.309 786 N HA -0.116 4.627 4.740 0.006 0.000 0.182 786 N C 1.416 176.792 175.510 -0.223 0.000 1.018 786 N CA 1.370 54.140 53.050 -0.467 0.000 0.876 786 N CB -0.171 38.018 38.487 -0.496 0.000 0.972 786 N HN 0.350 nan 8.380 nan 0.000 0.434 787 V N 0.203 120.010 119.914 -0.179 0.000 3.125 787 V HA 0.135 4.259 4.120 0.006 0.000 0.249 787 V C 0.791 176.863 176.094 -0.038 0.000 1.113 787 V CA 0.456 62.700 62.300 -0.093 0.000 1.106 787 V CB -0.075 31.697 31.823 -0.085 0.000 0.768 787 V HN 0.203 nan 8.190 nan 0.000 0.468 788 R N 0.249 120.736 120.500 -0.020 0.000 2.637 788 R HA 0.421 4.764 4.340 0.006 0.000 0.269 788 R C -0.266 176.048 176.300 0.024 0.000 1.089 788 R CA -0.030 56.088 56.100 0.029 0.000 1.177 788 R CB 0.346 30.694 30.300 0.080 0.000 1.091 788 R HN 0.094 nan 8.270 nan 0.000 0.540 789 M N 2.601 122.226 119.600 0.043 0.000 2.065 789 M HA 0.240 4.723 4.480 0.006 0.000 0.308 789 M C -1.425 174.900 176.300 0.041 0.000 0.939 789 M CA -0.350 54.974 55.300 0.040 0.000 0.890 789 M CB 1.119 33.747 32.600 0.047 0.000 1.383 789 M HN 0.568 nan 8.290 nan 0.000 0.381 790 D N 2.127 122.543 120.400 0.027 0.000 2.185 790 D HA 0.289 4.932 4.640 0.006 0.000 0.247 790 D C 0.003 176.290 176.300 -0.022 0.000 1.027 790 D CA -0.251 53.749 54.000 0.002 0.000 0.861 790 D CB 1.629 42.414 40.800 -0.024 0.000 1.202 790 D HN 0.369 nan 8.370 nan 0.000 0.453 791 T N 1.265 115.798 114.554 -0.035 0.000 2.736 791 T HA 0.153 4.506 4.350 0.006 0.000 0.275 791 T C 0.821 175.482 174.700 -0.065 0.000 0.962 791 T CA -0.252 61.808 62.100 -0.067 0.000 1.214 791 T CB -0.686 68.144 68.868 -0.063 0.000 0.904 791 T HN 0.418 nan 8.240 nan 0.000 0.529 792 M N 0.267 119.812 119.600 -0.093 0.000 4.047 792 M HA -0.106 4.377 4.480 0.006 0.000 0.157 792 M C -0.362 175.921 176.300 -0.028 0.000 1.532 792 M CA 0.277 55.541 55.300 -0.060 0.000 1.097 792 M CB -1.603 31.067 32.600 0.117 0.000 1.346 792 M HN 0.936 nan 8.290 nan 0.000 0.190 793 A N 4.451 127.266 122.820 -0.008 0.000 2.459 793 A HA 0.757 5.081 4.320 0.006 0.000 0.296 793 A C -0.823 176.863 177.584 0.169 0.000 1.039 793 A CA -0.809 51.268 52.037 0.067 0.000 0.698 793 A CB 1.509 20.580 19.000 0.119 0.000 1.261 793 A HN 0.791 nan 8.150 nan 0.000 0.405 794 N N 1.428 120.196 118.700 0.114 0.000 2.408 794 N HA 0.580 5.323 4.740 0.006 0.000 0.280 794 N C -1.561 173.926 175.510 -0.038 0.000 1.002 794 N CA -0.215 52.890 53.050 0.092 0.000 0.907 794 N CB 1.721 40.194 38.487 -0.023 0.000 1.161 794 N HN 0.478 nan 8.380 nan 0.000 0.488 795 I N 2.437 122.994 120.570 -0.021 0.000 2.447 795 I HA 0.247 4.421 4.170 0.006 0.000 0.287 795 I C -0.264 175.816 176.117 -0.062 0.000 1.023 795 I CA -0.520 60.676 61.300 -0.174 0.000 1.083 795 I CB 2.000 39.676 38.000 -0.541 0.000 1.245 795 I HN 0.347 nan 8.210 nan 0.000 0.434 796 L N 6.285 127.471 121.223 -0.063 0.000 2.410 796 L HA 0.147 4.491 4.340 0.006 0.000 0.273 796 L C 0.671 177.560 176.870 0.032 0.000 1.152 796 L CA 0.369 55.220 54.840 0.018 0.000 0.855 796 L CB 0.316 42.380 42.059 0.008 0.000 1.129 796 L HN 0.524 nan 8.230 nan 0.000 0.463 797 Y N 4.358 124.540 120.300 -0.197 0.000 2.151 797 Y HA -0.206 4.348 4.550 0.005 0.000 0.284 797 Y C 0.311 175.888 175.900 -0.538 0.000 1.166 797 Y CA 1.536 59.381 58.100 -0.424 0.000 1.163 797 Y CB -0.285 37.809 38.460 -0.610 0.000 0.974 797 Y HN 0.513 nan 8.280 nan 0.000 0.511 798 Y N -1.013 119.347 120.300 0.100 0.000 2.513 798 Y HA 0.314 4.868 4.550 0.006 0.000 0.341 798 Y C -2.334 173.533 175.900 -0.055 0.000 1.075 798 Y CA -2.776 55.323 58.100 -0.000 0.000 1.190 798 Y CB 0.705 39.159 38.460 -0.010 0.000 1.111 798 Y HN -0.138 nan 8.280 nan 0.000 0.644 799 P HA -0.057 nan 4.420 nan 0.000 0.266 799 P C -0.686 176.620 177.300 0.010 0.000 1.180 799 P CA 0.709 63.812 63.100 0.005 0.000 0.765 799 P CB 0.550 32.222 31.700 -0.046 0.000 0.806 800 Q N 1.242 121.060 119.800 0.030 0.000 2.263 800 Q HA 0.169 4.513 4.340 0.006 0.000 0.266 800 Q C -0.532 175.550 176.000 0.137 0.000 1.002 800 Q CA -0.994 54.849 55.803 0.066 0.000 0.790 800 Q CB 1.943 30.717 28.738 0.060 0.000 1.272 800 Q HN 0.349 nan 8.270 nan 0.000 0.435 801 K N 2.947 123.357 120.400 0.016 0.000 2.412 801 K HA 0.247 4.571 4.320 0.006 0.000 0.284 801 K C -2.306 174.301 176.600 0.011 0.000 1.046 801 K CA -1.160 55.105 56.287 -0.036 0.000 0.999 801 K CB 0.241 32.698 32.500 -0.070 0.000 0.941 801 K HN 0.170 nan 8.250 nan 0.000 0.474 802 P HA -0.071 nan 4.420 nan 0.000 0.268 802 P C 0.578 177.837 177.300 -0.068 0.000 1.208 802 P CA -0.096 62.917 63.100 -0.146 0.000 0.777 802 P CB 0.682 31.908 31.700 -0.790 0.000 0.875 803 L N 0.463 121.684 121.223 -0.004 0.000 2.291 803 L HA 0.044 4.388 4.340 0.006 0.000 0.214 803 L C 1.552 178.386 176.870 -0.060 0.000 1.120 803 L CA 1.092 55.916 54.840 -0.026 0.000 0.799 803 L CB -0.656 41.397 42.059 -0.011 0.000 0.925 803 L HN 0.495 nan 8.230 nan 0.000 0.446 804 G N -0.021 108.726 108.800 -0.088 0.000 2.384 804 G HA2 0.508 4.471 3.960 0.006 0.000 0.316 804 G HA3 0.508 4.471 3.960 0.006 0.000 0.316 804 G C -0.404 174.364 174.900 -0.221 0.000 1.160 804 G CA -0.150 44.868 45.100 -0.136 0.000 0.936 804 G HN 0.029 nan 8.290 nan 0.000 0.455 805 T N -0.726 113.690 114.554 -0.230 0.000 2.930 805 T HA 0.775 5.128 4.350 0.006 0.000 0.290 805 T C -0.091 174.425 174.700 -0.307 0.000 1.052 805 T CA -0.736 61.209 62.100 -0.258 0.000 1.017 805 T CB 2.125 70.871 68.868 -0.203 0.000 1.137 805 T HN 0.302 nan 8.240 nan 0.000 0.511 806 T N 0.631 114.994 114.554 -0.318 0.000 2.918 806 T HA 0.417 4.771 4.350 0.006 0.000 0.286 806 T C 1.329 175.817 174.700 -0.354 0.000 1.026 806 T CA -0.954 60.950 62.100 -0.327 0.000 1.031 806 T CB 2.008 70.692 68.868 -0.306 0.000 1.046 806 T HN 0.559 nan 8.240 nan 0.000 0.479 807 R N 1.187 121.411 120.500 -0.460 0.000 2.096 807 R HA -0.088 4.255 4.340 0.006 0.000 0.235 807 R C 2.612 178.588 176.300 -0.539 0.000 1.127 807 R CA 1.263 56.933 56.100 -0.716 0.000 0.968 807 R CB -0.603 28.830 30.300 -1.445 0.000 0.861 807 R HN 0.769 nan 8.270 nan 0.000 0.440 808 A N 1.330 123.986 122.820 -0.273 0.000 1.971 808 A HA -0.262 4.062 4.320 0.006 0.000 0.222 808 A C 2.120 179.646 177.584 -0.097 0.000 1.182 808 A CA 1.914 53.951 52.037 -0.001 0.000 0.649 808 A CB -0.587 18.420 19.000 0.011 0.000 0.818 808 A HN 0.275 nan 8.150 nan 0.000 0.458 809 M N -1.373 118.108 119.600 -0.198 0.000 2.446 809 M HA -0.146 4.338 4.480 0.006 0.000 0.263 809 M C 1.958 178.161 176.300 -0.161 0.000 1.066 809 M CA 1.510 56.724 55.300 -0.144 0.000 1.087 809 M CB -0.252 32.274 32.600 -0.122 0.000 1.406 809 M HN 0.553 nan 8.290 nan 0.000 0.459 810 E N 0.964 120.951 120.200 -0.356 0.000 2.021 810 E HA -0.216 4.138 4.350 0.006 0.000 0.200 810 E C 1.411 177.737 176.600 -0.457 0.000 1.015 810 E CA 2.228 58.312 56.400 -0.527 0.000 0.824 810 E CB -0.463 28.698 29.700 -0.898 0.000 0.762 810 E HN 0.650 nan 8.360 nan 0.000 0.454 811 Y N -0.902 119.344 120.300 -0.090 0.000 2.516 811 Y HA 0.067 4.621 4.550 0.006 0.000 0.291 811 Y C 1.651 177.443 175.900 -0.180 0.000 1.131 811 Y CA -0.141 57.848 58.100 -0.185 0.000 1.281 811 Y CB 0.070 38.256 38.460 -0.457 0.000 1.013 811 Y HN 0.059 nan 8.280 nan 0.000 0.554 812 L N 1.057 122.265 121.223 -0.026 0.000 2.650 812 L HA 0.000 4.344 4.340 0.006 0.000 0.235 812 L C 0.952 177.925 176.870 0.172 0.000 1.149 812 L CA 0.572 55.412 54.840 0.001 0.000 0.887 812 L CB -1.270 40.763 42.059 -0.045 0.000 1.021 812 L HN 0.256 nan 8.230 nan 0.000 0.441 813 K N -2.085 118.434 120.400 0.199 0.000 2.927 813 K HA -0.324 4.000 4.320 0.006 0.000 0.265 813 K C 1.442 178.155 176.600 0.189 0.000 1.037 813 K CA 1.114 57.557 56.287 0.260 0.000 0.783 813 K CB -2.073 30.682 32.500 0.425 0.000 1.211 813 K HN 0.245 nan 8.250 nan 0.000 0.470 814 F N 1.861 121.829 119.950 0.029 0.000 2.134 814 F HA -0.162 4.368 4.527 0.006 0.000 0.299 814 F C 2.297 178.052 175.800 -0.074 0.000 1.097 814 F CA 1.358 59.346 58.000 -0.020 0.000 1.264 814 F CB 0.050 39.003 39.000 -0.077 0.000 1.001 814 F HN 0.012 nan 8.300 nan 0.000 0.479 815 R N 0.276 120.785 120.500 0.016 0.000 2.154 815 R HA -0.198 4.146 4.340 0.006 0.000 0.248 815 R C 1.505 177.716 176.300 -0.149 0.000 1.155 815 R CA 1.752 57.805 56.100 -0.079 0.000 0.979 815 R CB -0.695 29.576 30.300 -0.047 0.000 0.869 815 R HN 0.363 nan 8.270 nan 0.000 0.452 816 E N -0.716 119.388 120.200 -0.160 0.000 2.460 816 E HA 0.218 4.572 4.350 0.006 0.000 0.200 816 E C 0.172 176.550 176.600 -0.371 0.000 1.011 816 E CA 0.229 56.519 56.400 -0.182 0.000 0.912 816 E CB 0.642 30.313 29.700 -0.050 0.000 0.953 816 E HN 0.095 nan 8.360 nan 0.000 0.494 817 L N 1.490 122.448 121.223 -0.442 0.000 2.551 817 L HA 0.373 4.717 4.340 0.006 0.000 0.248 817 L C -2.542 174.026 176.870 -0.504 0.000 1.509 817 L CA -1.702 52.844 54.840 -0.490 0.000 0.842 817 L CB 1.286 42.941 42.059 -0.674 0.000 1.087 817 L HN -0.136 nan 8.230 nan 0.000 0.512 818 P HA 0.145 nan 4.420 nan 0.000 0.271 818 P C -0.452 176.658 177.300 -0.317 0.000 1.233 818 P CA -0.137 62.566 63.100 -0.662 0.000 0.789 818 P CB 0.935 32.451 31.700 -0.308 0.000 0.951 819 A N 1.340 124.087 122.820 -0.121 0.000 2.855 819 A HA 0.676 5.000 4.320 0.006 0.000 0.313 819 A C -0.242 177.473 177.584 0.218 0.000 1.173 819 A CA 0.082 52.165 52.037 0.077 0.000 0.753 819 A CB -0.109 18.956 19.000 0.108 0.000 1.200 819 A HN 0.721 nan 8.150 nan 0.000 0.442 820 G N 0.747 109.606 108.800 0.100 0.000 2.282 820 G HA2 0.387 4.351 3.960 0.006 0.000 0.274 820 G HA3 0.387 4.351 3.960 0.006 0.000 0.274 820 G C -1.072 173.604 174.900 -0.373 0.000 1.718 820 G CA -0.808 44.178 45.100 -0.189 0.000 0.927 820 G HN 0.650 nan 8.290 nan 0.000 0.733 821 Q N -0.073 119.553 119.800 -0.291 0.000 2.185 821 Q HA 0.476 4.820 4.340 0.006 0.000 0.225 821 Q C 0.128 175.955 176.000 -0.289 0.000 0.983 821 Q CA -0.836 54.752 55.803 -0.358 0.000 0.950 821 Q CB 0.989 29.297 28.738 -0.716 0.000 1.176 821 Q HN 0.404 nan 8.270 nan 0.000 0.510 822 N N 0.518 119.148 118.700 -0.117 0.000 3.112 822 N HA 0.281 5.025 4.740 0.006 0.000 0.270 822 N C -1.406 174.106 175.510 0.004 0.000 1.385 822 N CA -0.076 52.997 53.050 0.037 0.000 0.986 822 N CB 0.509 39.057 38.487 0.101 0.000 1.261 822 N HN 0.627 nan 8.380 nan 0.000 0.495 823 A N 2.233 125.084 122.820 0.052 0.000 2.547 823 A HA 0.100 4.424 4.320 0.006 0.000 0.233 823 A C 0.545 178.094 177.584 -0.059 0.000 1.067 823 A CA 0.166 52.209 52.037 0.010 0.000 0.763 823 A CB 0.272 19.306 19.000 0.057 0.000 1.007 823 A HN 0.480 nan 8.150 nan 0.000 0.506 824 I N 2.210 122.707 120.570 -0.123 0.000 2.325 824 I HA 0.249 4.422 4.170 0.006 0.000 0.291 824 I C -0.335 175.641 176.117 -0.235 0.000 1.019 824 I CA 0.121 61.270 61.300 -0.252 0.000 1.302 824 I CB 0.707 38.521 38.000 -0.311 0.000 1.401 824 I HN 0.240 nan 8.210 nan 0.000 0.485 825 V N 6.256 126.019 119.914 -0.252 0.000 2.407 825 V HA 0.530 4.654 4.120 0.006 0.000 0.291 825 V C 0.425 176.545 176.094 0.043 0.000 1.018 825 V CA -0.806 61.444 62.300 -0.083 0.000 0.842 825 V CB 1.596 33.417 31.823 -0.003 0.000 0.996 825 V HN 0.838 nan 8.190 nan 0.000 0.426 826 A N 6.614 129.559 122.820 0.209 0.000 2.301 826 A HA 0.792 5.116 4.320 0.006 0.000 0.298 826 A C -0.203 177.491 177.584 0.183 0.000 1.185 826 A CA -0.412 51.820 52.037 0.324 0.000 0.830 826 A CB 0.167 19.365 19.000 0.330 0.000 1.112 826 A HN 0.825 nan 8.150 nan 0.000 0.508 827 I N 1.832 122.520 120.570 0.197 0.000 2.297 827 I HA 0.609 4.783 4.170 0.006 0.000 0.291 827 I C 0.315 176.480 176.117 0.080 0.000 1.033 827 I CA -0.012 61.354 61.300 0.109 0.000 1.253 827 I CB 0.869 38.905 38.000 0.060 0.000 1.396 827 I HN 0.673 nan 8.210 nan 0.000 0.476 828 A N 4.528 127.387 122.820 0.064 0.000 2.582 828 A HA 0.429 4.753 4.320 0.006 0.000 0.297 828 A C -0.893 176.743 177.584 0.088 0.000 1.059 828 A CA -0.565 51.513 52.037 0.069 0.000 0.705 828 A CB 0.987 20.038 19.000 0.086 0.000 1.279 828 A HN 0.723 nan 8.150 nan 0.000 0.404 829 C N 3.120 122.463 119.300 0.071 0.000 2.551 829 C HA 0.271 4.735 4.460 0.006 0.000 0.378 829 C C 1.216 176.291 174.990 0.142 0.000 1.101 829 C CA 0.162 59.234 59.018 0.089 0.000 1.360 829 C CB -2.604 25.165 27.740 0.048 0.000 1.895 829 C HN 0.811 nan 8.230 nan 0.000 0.540 830 Y N 2.977 123.295 120.300 0.029 0.000 2.256 830 Y HA -0.027 4.527 4.550 0.006 0.000 0.267 830 Y C 2.437 178.338 175.900 0.001 0.000 1.069 830 Y CA 2.233 60.334 58.100 0.002 0.000 1.070 830 Y CB -0.216 38.256 38.460 0.019 0.000 1.020 830 Y HN 0.537 nan 8.280 nan 0.000 0.476 831 S N -1.395 114.403 115.700 0.163 0.000 2.511 831 S HA 0.316 4.790 4.470 0.006 0.000 0.214 831 S C 1.586 176.238 174.600 0.087 0.000 0.997 831 S CA 0.292 58.541 58.200 0.080 0.000 0.908 831 S CB 0.506 63.972 63.200 0.443 0.000 0.803 831 S HN 0.902 nan 8.310 nan 0.000 0.504 832 G N 0.694 109.555 108.800 0.101 0.000 2.199 832 G HA2 -0.370 3.593 3.960 0.006 0.000 0.254 832 G HA3 -0.370 3.593 3.960 0.006 0.000 0.254 832 G C 0.515 175.364 174.900 -0.086 0.000 0.982 832 G CA 0.410 45.508 45.100 -0.004 0.000 0.632 832 G HN 0.548 nan 8.290 nan 0.000 0.529 833 Y N 1.673 122.046 120.300 0.122 0.000 2.403 833 Y HA -0.087 4.467 4.550 0.007 0.000 0.291 833 Y C 2.467 178.409 175.900 0.071 0.000 1.143 833 Y CA 1.681 59.834 58.100 0.088 0.000 1.257 833 Y CB 0.050 38.556 38.460 0.077 0.000 0.984 833 Y HN 0.574 nan 8.280 nan 0.000 0.550 834 N N 0.028 118.852 118.700 0.207 0.000 2.268 834 N HA -0.022 4.721 4.740 0.006 0.000 0.204 834 N C -0.212 175.359 175.510 0.101 0.000 1.124 834 N CA 0.030 53.166 53.050 0.143 0.000 0.838 834 N CB -0.209 38.366 38.487 0.146 0.000 0.994 834 N HN 0.357 nan 8.380 nan 0.000 0.489 835 Q N 0.656 120.502 119.800 0.077 0.000 2.443 835 Q HA 0.091 4.435 4.340 0.006 0.000 0.232 835 Q C -0.309 175.716 176.000 0.042 0.000 1.026 835 Q CA -0.124 55.716 55.803 0.061 0.000 0.924 835 Q CB 0.490 29.242 28.738 0.024 0.000 1.256 835 Q HN 0.185 nan 8.270 nan 0.000 0.519 836 E N 2.359 122.580 120.200 0.036 0.000 2.252 836 E HA -0.215 4.138 4.350 0.006 0.000 0.199 836 E C -0.753 175.863 176.600 0.027 0.000 1.352 836 E CA 1.118 57.528 56.400 0.017 0.000 0.682 836 E CB -1.756 27.941 29.700 -0.004 0.000 1.142 836 E HN 0.911 nan 8.360 nan 0.000 0.367 837 D N -2.337 118.088 120.400 0.041 0.000 2.782 837 D HA -0.263 4.380 4.640 0.006 0.000 0.231 837 D C 0.127 176.458 176.300 0.052 0.000 1.163 837 D CA 1.532 55.557 54.000 0.043 0.000 0.680 837 D CB -1.671 39.145 40.800 0.027 0.000 1.062 837 D HN 0.467 nan 8.370 nan 0.000 0.425 838 S N -1.310 114.423 115.700 0.055 0.000 2.590 838 S HA 0.832 5.306 4.470 0.006 0.000 0.282 838 S C 0.600 175.237 174.600 0.061 0.000 1.136 838 S CA -0.369 57.868 58.200 0.061 0.000 1.030 838 S CB 1.532 64.768 63.200 0.061 0.000 1.195 838 S HN 0.963 nan 8.310 nan 0.000 0.506 839 M N -0.946 118.682 119.600 0.046 0.000 2.569 839 M HA 0.506 4.990 4.480 0.006 0.000 0.287 839 M C -2.413 173.881 176.300 -0.011 0.000 1.130 839 M CA -0.612 54.700 55.300 0.021 0.000 0.885 839 M CB 0.931 33.520 32.600 -0.017 0.000 1.759 839 M HN 0.556 nan 8.290 nan 0.000 0.515 840 I N 2.900 123.476 120.570 0.010 0.000 2.321 840 I HA 0.485 4.659 4.170 0.006 0.000 0.291 840 I C -0.529 175.561 176.117 -0.045 0.000 0.998 840 I CA -0.410 60.895 61.300 0.009 0.000 1.227 840 I CB 1.891 39.986 38.000 0.159 0.000 1.368 840 I HN 0.763 nan 8.210 nan 0.000 0.466 841 M N 5.993 125.532 119.600 -0.101 0.000 2.300 841 M HA 0.341 4.825 4.480 0.006 0.000 0.348 841 M C -0.172 176.096 176.300 -0.053 0.000 1.151 841 M CA -0.637 54.591 55.300 -0.119 0.000 1.046 841 M CB 1.172 33.650 32.600 -0.203 0.000 1.647 841 M HN 0.482 nan 8.290 nan 0.000 0.451 842 N N 2.723 121.410 118.700 -0.022 0.000 2.434 842 N HA -0.062 4.682 4.740 0.006 0.000 0.268 842 N C 0.388 175.897 175.510 -0.002 0.000 1.256 842 N CA 0.422 53.480 53.050 0.014 0.000 0.914 842 N CB 0.961 39.460 38.487 0.021 0.000 1.088 842 N HN 0.690 nan 8.380 nan 0.000 0.478 843 Q N 2.363 122.166 119.800 0.006 0.000 2.230 843 Q HA -0.005 4.339 4.340 0.006 0.000 0.202 843 Q C 1.249 177.247 176.000 -0.002 0.000 0.963 843 Q CA 1.418 57.215 55.803 -0.010 0.000 0.866 843 Q CB -0.047 28.685 28.738 -0.011 0.000 0.931 843 Q HN 0.684 nan 8.270 nan 0.000 0.452 844 S N -0.569 115.136 115.700 0.008 0.000 2.402 844 S HA -0.101 4.372 4.470 0.006 0.000 0.229 844 S C 1.934 176.535 174.600 0.001 0.000 1.021 844 S CA 1.030 59.233 58.200 0.005 0.000 0.974 844 S CB -0.279 62.926 63.200 0.009 0.000 0.800 844 S HN 0.415 nan 8.310 nan 0.000 0.484 845 S N 1.364 117.064 115.700 0.001 0.000 2.368 845 S HA -0.000 4.474 4.470 0.006 0.000 0.225 845 S C 1.748 176.347 174.600 -0.003 0.000 1.030 845 S CA 1.029 59.226 58.200 -0.005 0.000 0.999 845 S CB -0.340 62.856 63.200 -0.006 0.000 0.844 845 S HN 0.454 nan 8.310 nan 0.000 0.459 846 I N 1.657 122.227 120.570 -0.000 0.000 2.202 846 I HA -0.180 3.994 4.170 0.006 0.000 0.242 846 I C 2.012 178.124 176.117 -0.008 0.000 1.091 846 I CA 1.090 62.390 61.300 0.001 0.000 1.368 846 I CB -0.622 37.375 38.000 -0.005 0.000 1.058 846 I HN 0.163 nan 8.210 nan 0.000 0.410 847 D N 1.224 121.620 120.400 -0.007 0.000 2.133 847 D HA -0.210 4.433 4.640 0.006 0.000 0.195 847 D C 2.250 178.557 176.300 0.011 0.000 0.997 847 D CA 1.407 55.405 54.000 -0.003 0.000 0.840 847 D CB -0.407 40.392 40.800 -0.001 0.000 0.947 847 D HN 0.325 nan 8.370 nan 0.000 0.452 848 R N -0.562 119.946 120.500 0.014 0.000 2.237 848 R HA 0.024 4.368 4.340 0.006 0.000 0.219 848 R C 1.358 177.704 176.300 0.077 0.000 1.080 848 R CA 0.954 57.073 56.100 0.031 0.000 0.995 848 R CB 0.185 30.490 30.300 0.009 0.000 0.875 848 R HN 0.327 nan 8.270 nan 0.000 0.462 849 G N 0.014 108.850 108.800 0.060 0.000 2.273 849 G HA2 -0.179 3.785 3.960 0.006 0.000 0.162 849 G HA3 -0.179 3.785 3.960 0.006 0.000 0.162 849 G C -0.190 174.743 174.900 0.055 0.000 1.006 849 G CA -0.524 44.635 45.100 0.100 0.000 0.704 849 G HN 0.202 nan 8.290 nan 0.000 0.487 850 L N 0.939 122.165 121.223 0.005 0.000 2.455 850 L HA 0.607 4.951 4.340 0.006 0.000 0.272 850 L C 1.163 178.035 176.870 0.003 0.000 1.174 850 L CA 0.348 55.138 54.840 -0.083 0.000 0.869 850 L CB -0.285 41.715 42.059 -0.099 0.000 1.130 850 L HN 0.506 nan 8.230 nan 0.000 0.474 851 F N 2.305 122.289 119.950 0.057 0.000 3.093 851 F HA -0.278 4.252 4.527 0.005 0.000 0.287 851 F C 0.862 176.659 175.800 -0.004 0.000 0.882 851 F CA 0.553 58.605 58.000 0.087 0.000 1.063 851 F CB -1.223 37.939 39.000 0.271 0.000 1.097 851 F HN 0.597 nan 8.300 nan 0.000 0.604 852 R N 0.697 121.168 120.500 -0.047 0.000 2.539 852 R HA 0.554 4.898 4.340 0.006 0.000 0.275 852 R C 0.311 176.501 176.300 -0.183 0.000 1.077 852 R CA 0.422 56.331 56.100 -0.318 0.000 1.097 852 R CB 1.185 30.907 30.300 -0.964 0.000 1.018 852 R HN 0.230 nan 8.270 nan 0.000 0.483 853 S N 2.056 117.680 115.700 -0.126 0.000 2.548 853 S HA 0.469 4.942 4.470 0.006 0.000 0.286 853 S C -0.465 174.237 174.600 0.169 0.000 1.098 853 S CA -1.038 57.214 58.200 0.088 0.000 0.930 853 S CB 1.389 64.635 63.200 0.076 0.000 1.070 853 S HN 0.346 nan 8.310 nan 0.000 0.480 854 L N 2.428 123.804 121.223 0.255 0.000 2.326 854 L HA 0.580 4.924 4.340 0.006 0.000 0.278 854 L C -0.926 176.027 176.870 0.138 0.000 1.092 854 L CA -0.609 54.310 54.840 0.132 0.000 0.810 854 L CB 0.878 43.020 42.059 0.138 0.000 1.153 854 L HN 0.800 nan 8.230 nan 0.000 0.439 855 F N 4.023 123.875 119.950 -0.164 0.000 2.553 855 F HA 0.531 5.060 4.527 0.005 0.000 0.335 855 F C -1.309 174.406 175.800 -0.143 0.000 1.148 855 F CA -0.723 57.255 58.000 -0.036 0.000 0.963 855 F CB 0.764 39.758 39.000 -0.010 0.000 1.217 855 F HN 0.081 nan 8.300 nan 0.000 0.441 856 F N 5.506 125.049 119.950 -0.678 0.000 2.422 856 F HA 0.650 5.182 4.527 0.008 0.000 0.333 856 F C 0.119 175.419 175.800 -0.832 0.000 1.095 856 F CA -0.680 57.006 58.000 -0.524 0.000 1.038 856 F CB 1.594 40.469 39.000 -0.208 0.000 1.156 856 F HN 0.458 nan 8.300 nan 0.000 0.483 857 R N 1.080 121.354 120.500 -0.377 0.000 2.621 857 R HA 0.632 4.976 4.340 0.006 0.000 0.284 857 R C -1.558 174.717 176.300 -0.043 0.000 0.998 857 R CA -0.499 55.438 56.100 -0.273 0.000 0.895 857 R CB 1.919 32.084 30.300 -0.226 0.000 1.195 857 R HN 0.759 nan 8.270 nan 0.000 0.450 858 S N 2.697 118.356 115.700 -0.070 0.000 2.472 858 S HA 0.516 4.990 4.470 0.006 0.000 0.303 858 S C -1.465 173.116 174.600 -0.031 0.000 1.099 858 S CA -0.530 57.692 58.200 0.035 0.000 1.077 858 S CB 1.002 64.219 63.200 0.028 0.000 1.031 858 S HN 0.396 nan 8.310 nan 0.000 0.487 859 Y N 1.642 121.942 120.300 0.001 0.000 2.364 859 Y HA 0.545 5.100 4.550 0.008 0.000 0.340 859 Y C 0.203 176.104 175.900 0.003 0.000 0.975 859 Y CA -0.980 57.127 58.100 0.010 0.000 1.089 859 Y CB 1.174 39.636 38.460 0.005 0.000 1.192 859 Y HN 0.420 nan 8.280 nan 0.000 0.454 860 M N 3.070 122.773 119.600 0.172 0.000 2.478 860 M HA 0.441 4.924 4.480 0.006 0.000 0.327 860 M C -1.488 174.915 176.300 0.171 0.000 1.187 860 M CA -0.026 55.361 55.300 0.144 0.000 1.022 860 M CB 1.679 34.391 32.600 0.186 0.000 1.629 860 M HN 0.833 nan 8.290 nan 0.000 0.461 861 D N 1.379 121.888 120.400 0.182 0.000 2.623 861 D HA 0.472 5.115 4.640 0.006 0.000 0.241 861 D C -1.602 174.941 176.300 0.405 0.000 1.241 861 D CA -0.081 54.085 54.000 0.277 0.000 0.788 861 D CB 2.039 43.022 40.800 0.304 0.000 1.413 861 D HN 0.658 nan 8.370 nan 0.000 0.429 862 Q N 0.215 120.225 119.800 0.349 0.000 2.693 862 Q HA 0.417 4.760 4.340 0.006 0.000 0.306 862 Q C -1.106 174.916 176.000 0.036 0.000 0.969 862 Q CA -0.732 55.242 55.803 0.286 0.000 0.757 862 Q CB 2.347 31.231 28.738 0.244 0.000 1.494 862 Q HN 0.256 nan 8.270 nan 0.000 0.459 863 E N 1.956 122.142 120.200 -0.023 0.000 2.346 863 E HA 0.229 4.583 4.350 0.006 0.000 0.239 863 E C -1.295 175.275 176.600 -0.051 0.000 0.943 863 E CA -0.373 55.947 56.400 -0.133 0.000 0.751 863 E CB 1.107 30.679 29.700 -0.213 0.000 1.241 863 E HN 0.579 nan 8.360 nan 0.000 0.423 864 K N 1.180 121.565 120.400 -0.026 0.000 1.226 864 K HA -0.319 4.005 4.320 0.006 0.000 0.750 864 K C -0.286 176.330 176.600 0.026 0.000 1.872 864 K CA 1.204 57.494 56.287 0.005 0.000 1.268 864 K CB -0.249 32.249 32.500 -0.003 0.000 2.312 864 K HN 0.399 nan 8.250 nan 0.000 0.456 865 K N -1.561 118.872 120.400 0.055 0.000 2.494 865 K HA 0.168 4.491 4.320 0.006 0.000 0.201 865 K C -0.333 176.324 176.600 0.095 0.000 1.338 865 K CA 0.066 56.408 56.287 0.092 0.000 0.935 865 K CB 0.631 33.223 32.500 0.153 0.000 1.514 865 K HN 0.439 nan 8.250 nan 0.000 0.490 866 Y N -0.890 119.414 120.300 0.005 0.000 2.644 866 Y HA 0.454 5.008 4.550 0.006 0.000 0.338 866 Y C -0.733 175.168 175.900 0.002 0.000 1.119 866 Y CA -0.041 58.062 58.100 0.004 0.000 1.060 866 Y CB 2.781 41.244 38.460 0.005 0.000 1.294 866 Y HN 0.330 nan 8.280 nan 0.000 0.472 867 G N 2.443 111.351 108.800 0.181 0.000 3.017 867 G HA2 -0.128 3.836 3.960 0.006 0.000 0.680 867 G HA3 -0.128 3.836 3.960 0.006 0.000 0.680 867 G C -1.035 173.889 174.900 0.040 0.000 1.179 867 G CA -0.918 44.242 45.100 0.100 0.000 1.142 867 G HN 0.480 nan 8.290 nan 0.000 0.489 868 M N 2.199 121.820 119.600 0.035 0.000 2.252 868 M HA 0.327 4.810 4.480 0.006 0.000 0.348 868 M C 1.706 178.012 176.300 0.009 0.000 1.334 868 M CA 1.390 56.697 55.300 0.011 0.000 1.071 868 M CB 0.631 33.239 32.600 0.015 0.000 1.763 868 M HN 1.938 nan 8.290 nan 0.000 0.452 869 S N 1.619 117.319 115.700 -0.000 0.000 3.473 869 S HA -0.188 4.285 4.470 0.006 0.000 0.339 869 S C -0.146 174.455 174.600 0.001 0.000 1.148 869 S CA 0.836 59.035 58.200 -0.001 0.000 0.969 869 S CB -2.430 60.771 63.200 0.002 0.000 0.936 869 S HN 0.733 nan 8.310 nan 0.000 0.530 870 I N 1.429 122.000 120.570 0.002 0.000 2.750 870 I HA 0.344 4.518 4.170 0.006 0.000 0.279 870 I C -0.067 176.047 176.117 -0.005 0.000 1.206 870 I CA -0.043 61.259 61.300 0.003 0.000 1.101 870 I CB 1.327 39.336 38.000 0.015 0.000 1.431 870 I HN 0.212 nan 8.210 nan 0.000 0.551 871 T N 2.204 116.748 114.554 -0.017 0.000 2.861 871 T HA 0.411 4.765 4.350 0.006 0.000 0.287 871 T C -0.156 174.515 174.700 -0.049 0.000 1.003 871 T CA -0.766 61.314 62.100 -0.033 0.000 0.977 871 T CB 1.961 70.809 68.868 -0.034 0.000 0.996 871 T HN 0.270 nan 8.240 nan 0.000 0.448 872 E N 1.248 121.401 120.200 -0.079 0.000 2.371 872 E HA 0.503 4.856 4.350 0.006 0.000 0.257 872 E C -0.376 176.127 176.600 -0.162 0.000 1.134 872 E CA -0.518 55.813 56.400 -0.116 0.000 0.919 872 E CB 0.738 30.349 29.700 -0.147 0.000 1.025 872 E HN 0.469 nan 8.360 nan 0.000 0.438 873 T N 1.343 115.801 114.554 -0.161 0.000 2.886 873 T HA 0.355 4.708 4.350 0.006 0.000 0.292 873 T C -0.711 173.912 174.700 -0.130 0.000 1.012 873 T CA -0.668 61.354 62.100 -0.131 0.000 0.982 873 T CB 0.487 69.335 68.868 -0.034 0.000 1.018 873 T HN 0.230 nan 8.240 nan 0.000 0.451 874 F N 2.944 122.910 119.950 0.026 0.000 2.410 874 F HA 0.497 5.028 4.527 0.006 0.000 0.348 874 F C 1.065 176.878 175.800 0.021 0.000 1.106 874 F CA -0.262 57.752 58.000 0.024 0.000 1.163 874 F CB 0.762 39.773 39.000 0.018 0.000 1.129 874 F HN 0.651 nan 8.300 nan 0.000 0.516 875 E N 1.413 121.749 120.200 0.227 0.000 2.393 875 E HA 0.123 4.477 4.350 0.006 0.000 0.282 875 E C -1.732 174.936 176.600 0.113 0.000 1.096 875 E CA -1.278 55.198 56.400 0.127 0.000 0.866 875 E CB 0.999 30.749 29.700 0.083 0.000 1.232 875 E HN 0.443 nan 8.360 nan 0.000 0.431 876 K N 2.587 123.037 120.400 0.084 0.000 2.315 876 K HA 0.253 4.577 4.320 0.006 0.000 0.291 876 K C -2.180 174.442 176.600 0.037 0.000 1.074 876 K CA -1.274 55.066 56.287 0.088 0.000 0.936 876 K CB 0.176 32.722 32.500 0.077 0.000 1.049 876 K HN 0.285 nan 8.250 nan 0.000 0.471 877 P HA 0.262 nan 4.420 nan 0.000 0.281 877 P C -1.807 175.379 177.300 -0.190 0.000 1.281 877 P CA -0.522 62.529 63.100 -0.081 0.000 0.811 877 P CB 0.988 32.638 31.700 -0.083 0.000 1.154 878 Q N -1.729 117.971 119.800 -0.167 0.000 2.646 878 Q HA 0.489 4.833 4.340 0.006 0.000 0.260 878 Q C -0.275 175.657 176.000 -0.114 0.000 0.975 878 Q CA -0.985 54.710 55.803 -0.181 0.000 0.936 878 Q CB 0.613 29.273 28.738 -0.130 0.000 1.591 878 Q HN 0.083 nan 8.270 nan 0.000 0.412 879 R N 0.717 121.153 120.500 -0.107 0.000 3.488 879 R HA -0.238 4.105 4.340 0.006 0.000 0.590 879 R C -0.318 175.949 176.300 -0.054 0.000 0.241 879 R CA 2.459 58.519 56.100 -0.067 0.000 1.822 879 R CB -2.232 28.041 30.300 -0.046 0.000 0.845 879 R HN 1.621 nan 8.270 nan 0.000 0.628 880 T N -0.499 114.032 114.554 -0.037 0.000 3.860 880 T HA -0.166 4.187 4.350 0.006 0.000 0.378 880 T C 0.233 174.919 174.700 -0.023 0.000 0.761 880 T CA 0.938 63.022 62.100 -0.027 0.000 2.004 880 T CB -1.460 67.392 68.868 -0.027 0.000 1.778 880 T HN 0.635 nan 8.240 nan 0.000 0.801 881 N N -2.097 116.592 118.700 -0.019 0.000 2.946 881 N HA -0.244 4.500 4.740 0.006 0.000 0.223 881 N C 1.388 176.889 175.510 -0.015 0.000 0.850 881 N CA 2.221 55.262 53.050 -0.014 0.000 1.057 881 N CB -1.677 36.805 38.487 -0.009 0.000 1.020 881 N HN 0.790 nan 8.380 nan 0.000 0.616 882 T N 0.954 115.495 114.554 -0.021 0.000 2.777 882 T HA -0.020 4.334 4.350 0.006 0.000 0.266 882 T C 1.854 176.543 174.700 -0.019 0.000 1.040 882 T CA 2.239 64.327 62.100 -0.021 0.000 1.141 882 T CB -0.220 68.630 68.868 -0.030 0.000 0.868 882 T HN 0.488 nan 8.240 nan 0.000 0.444 883 L N -1.709 119.499 121.223 -0.025 0.000 4.708 883 L HA -0.228 4.116 4.340 0.006 0.000 0.447 883 L C 0.913 177.772 176.870 -0.018 0.000 1.091 883 L CA 1.396 56.224 54.840 -0.020 0.000 0.937 883 L CB -1.966 40.088 42.059 -0.007 0.000 1.771 883 L HN 0.202 nan 8.230 nan 0.000 1.002 884 R N 0.763 121.251 120.500 -0.021 0.000 4.017 884 R HA 0.489 4.832 4.340 0.006 0.000 0.272 884 R C 0.034 176.321 176.300 -0.021 0.000 1.516 884 R CA -0.243 55.847 56.100 -0.017 0.000 1.519 884 R CB 0.320 30.616 30.300 -0.007 0.000 1.422 884 R HN 0.287 nan 8.270 nan 0.000 0.719 885 M N 0.582 120.164 119.600 -0.032 0.000 2.573 885 M HA 0.343 4.826 4.480 0.006 0.000 0.309 885 M C 0.189 176.498 176.300 0.015 0.000 1.202 885 M CA -0.878 54.420 55.300 -0.004 0.000 0.975 885 M CB 1.463 34.001 32.600 -0.102 0.000 1.600 885 M HN -0.134 nan 8.290 nan 0.000 0.479 886 K N 0.539 121.033 120.400 0.157 0.000 2.138 886 K HA 0.136 4.460 4.320 0.006 0.000 0.251 886 K C 1.257 177.849 176.600 -0.013 0.000 1.015 886 K CA -0.096 56.167 56.287 -0.040 0.000 0.917 886 K CB 0.361 32.854 32.500 -0.012 0.000 1.021 886 K HN 0.456 nan 8.250 nan 0.000 0.485 887 H N -0.031 119.100 119.070 0.101 0.000 2.423 887 H HA -0.027 4.531 4.556 0.004 0.000 0.297 887 H C 1.061 176.432 175.328 0.071 0.000 1.075 887 H CA 1.033 57.129 56.048 0.079 0.000 1.342 887 H CB -0.358 29.433 29.762 0.047 0.000 1.395 887 H HN 0.661 nan 8.280 nan 0.000 0.530 888 G N 0.724 109.585 108.800 0.102 0.000 2.683 888 G HA2 0.111 4.075 3.960 0.006 0.000 0.260 888 G HA3 0.111 4.075 3.960 0.006 0.000 0.260 888 G C -0.245 174.658 174.900 0.005 0.000 1.238 888 G CA -0.315 44.790 45.100 0.008 0.000 0.934 888 G HN 0.201 nan 8.290 nan 0.000 0.534 889 T N 0.318 114.853 114.554 -0.031 0.000 2.761 889 T HA 0.173 4.526 4.350 0.006 0.000 0.296 889 T C 0.311 174.978 174.700 -0.054 0.000 0.934 889 T CA -0.052 62.064 62.100 0.026 0.000 1.091 889 T CB 0.805 69.680 68.868 0.012 0.000 0.896 889 T HN 0.383 nan 8.240 nan 0.000 0.515 890 Y N 0.678 120.977 120.300 -0.001 0.000 2.544 890 Y HA 0.025 4.576 4.550 0.002 0.000 0.286 890 Y C 2.032 177.928 175.900 -0.008 0.000 1.141 890 Y CA -0.024 58.073 58.100 -0.006 0.000 1.299 890 Y CB -0.116 38.343 38.460 -0.002 0.000 1.030 890 Y HN 0.583 nan 8.280 nan 0.000 0.543 891 D N 0.192 120.661 120.400 0.115 0.000 2.384 891 D HA -0.109 4.535 4.640 0.006 0.000 0.222 891 D C 1.292 177.612 176.300 0.034 0.000 0.976 891 D CA 0.977 55.019 54.000 0.070 0.000 0.915 891 D CB 0.065 40.897 40.800 0.052 0.000 0.896 891 D HN 0.418 nan 8.370 nan 0.000 0.523 892 K N -0.391 120.016 120.400 0.011 0.000 2.361 892 K HA 0.145 4.469 4.320 0.006 0.000 0.194 892 K C 0.618 177.210 176.600 -0.014 0.000 1.032 892 K CA -0.140 56.140 56.287 -0.011 0.000 1.048 892 K CB 0.768 33.248 32.500 -0.034 0.000 0.842 892 K HN 0.037 nan 8.250 nan 0.000 0.526 893 L N 2.038 123.263 121.223 0.003 0.000 2.426 893 L HA 0.041 4.384 4.340 0.006 0.000 0.271 893 L C 0.510 177.389 176.870 0.015 0.000 1.169 893 L CA 0.012 54.856 54.840 0.007 0.000 0.836 893 L CB 0.406 42.494 42.059 0.049 0.000 1.112 893 L HN 0.055 nan 8.230 nan 0.000 0.465 894 D N 0.952 121.352 120.400 0.000 0.000 2.451 894 D HA 0.018 4.662 4.640 0.006 0.000 0.259 894 D C 0.560 176.869 176.300 0.015 0.000 1.201 894 D CA -0.431 53.571 54.000 0.003 0.000 1.028 894 D CB 0.828 41.622 40.800 -0.010 0.000 1.095 894 D HN 0.512 nan 8.370 nan 0.000 0.539 895 D N 0.143 120.552 120.400 0.015 0.000 2.182 895 D HA -0.159 4.485 4.640 0.006 0.000 0.201 895 D C 1.262 177.582 176.300 0.032 0.000 0.986 895 D CA 1.027 55.041 54.000 0.023 0.000 0.847 895 D CB 0.025 40.836 40.800 0.018 0.000 0.942 895 D HN 0.463 nan 8.370 nan 0.000 0.467 896 D N -0.725 119.689 120.400 0.024 0.000 2.347 896 D HA -0.004 4.640 4.640 0.006 0.000 0.215 896 D C 1.494 177.819 176.300 0.042 0.000 0.976 896 D CA 1.075 55.095 54.000 0.034 0.000 0.884 896 D CB -0.122 40.681 40.800 0.006 0.000 0.915 896 D HN 0.253 nan 8.370 nan 0.000 0.526 897 G N -0.200 108.616 108.800 0.028 0.000 2.144 897 G HA2 -0.173 3.790 3.960 0.006 0.000 0.218 897 G HA3 -0.173 3.790 3.960 0.006 0.000 0.218 897 G C -0.160 174.721 174.900 -0.031 0.000 0.988 897 G CA 0.114 45.241 45.100 0.046 0.000 0.659 897 G HN 0.376 nan 8.290 nan 0.000 0.522 898 L N 0.829 122.005 121.223 -0.079 0.000 2.385 898 L HA 0.571 4.915 4.340 0.006 0.000 0.273 898 L C 0.931 177.747 176.870 -0.090 0.000 0.990 898 L CA -1.245 53.517 54.840 -0.130 0.000 0.821 898 L CB 1.896 43.840 42.059 -0.192 0.000 1.279 898 L HN 0.001 nan 8.230 nan 0.000 0.412 899 I N 2.132 122.646 120.570 -0.095 0.000 2.872 899 I HA 0.014 4.187 4.170 0.006 0.000 0.291 899 I C 0.838 176.915 176.117 -0.067 0.000 1.216 899 I CA 0.240 61.495 61.300 -0.076 0.000 1.424 899 I CB 1.093 39.040 38.000 -0.088 0.000 1.351 899 I HN 0.700 nan 8.210 nan 0.000 0.592 900 A N 8.200 130.991 122.820 -0.049 0.000 2.309 900 A HA 0.497 4.820 4.320 0.006 0.000 0.298 900 A C -2.291 175.271 177.584 -0.036 0.000 1.165 900 A CA -1.603 50.410 52.037 -0.041 0.000 0.821 900 A CB 0.069 19.051 19.000 -0.030 0.000 1.102 900 A HN 0.425 nan 8.150 nan 0.000 0.500 901 P HA 0.172 nan 4.420 nan 0.000 0.250 901 P C 1.036 178.326 177.300 -0.017 0.000 1.161 901 P CA 1.990 65.077 63.100 -0.021 0.000 0.863 901 P CB 0.227 31.917 31.700 -0.016 0.000 0.827 902 G N 1.775 110.565 108.800 -0.017 0.000 3.638 902 G HA2 -0.180 3.784 3.960 0.006 0.000 0.196 902 G HA3 -0.180 3.784 3.960 0.006 0.000 0.196 902 G C -0.061 174.828 174.900 -0.018 0.000 1.315 902 G CA -0.408 44.683 45.100 -0.015 0.000 0.944 902 G HN 0.413 nan 8.290 nan 0.000 0.434 903 V N 2.899 122.800 119.914 -0.022 0.000 2.644 903 V HA 0.217 4.340 4.120 0.006 0.000 0.305 903 V C 1.234 177.313 176.094 -0.025 0.000 1.053 903 V CA 0.555 62.841 62.300 -0.024 0.000 1.186 903 V CB 0.770 32.574 31.823 -0.030 0.000 0.895 903 V HN 0.521 nan 8.190 nan 0.000 0.490 904 R N 3.334 123.822 120.500 -0.021 0.000 2.390 904 R HA 0.533 4.876 4.340 0.006 0.000 0.291 904 R C -0.717 175.568 176.300 -0.024 0.000 1.070 904 R CA -0.324 55.765 56.100 -0.018 0.000 1.014 904 R CB 1.108 31.401 30.300 -0.012 0.000 1.007 904 R HN 0.719 nan 8.270 nan 0.000 0.466 905 V N 0.657 120.557 119.914 -0.024 0.000 2.577 905 V HA 0.723 4.846 4.120 0.006 0.000 0.303 905 V C -0.733 175.352 176.094 -0.015 0.000 1.042 905 V CA -0.798 61.483 62.300 -0.032 0.000 0.872 905 V CB 1.776 33.566 31.823 -0.054 0.000 0.998 905 V HN 0.843 nan 8.190 nan 0.000 0.423 906 S N 1.923 117.614 115.700 -0.015 0.000 2.588 906 S HA 0.995 5.468 4.470 0.006 0.000 0.275 906 S C 0.369 174.967 174.600 -0.003 0.000 1.130 906 S CA -0.132 58.067 58.200 -0.001 0.000 0.855 906 S CB 1.325 64.526 63.200 0.003 0.000 1.116 906 S HN 2.528 nan 8.310 nan 0.000 0.472 907 G N 1.639 110.444 108.800 0.009 0.000 2.564 907 G HA2 -0.249 3.715 3.960 0.006 0.000 0.273 907 G HA3 -0.249 3.715 3.960 0.006 0.000 0.273 907 G C -0.333 174.570 174.900 0.006 0.000 1.242 907 G CA 0.245 45.352 45.100 0.012 0.000 0.951 907 G HN 0.914 nan 8.290 nan 0.000 0.564 908 E N 1.780 121.983 120.200 0.006 0.000 2.354 908 E HA 0.200 4.554 4.350 0.006 0.000 0.260 908 E C -0.100 176.468 176.600 -0.054 0.000 1.405 908 E CA -0.270 56.128 56.400 -0.004 0.000 1.728 908 E CB -0.104 29.615 29.700 0.031 0.000 1.471 908 E HN 0.384 nan 8.360 nan 0.000 0.441 909 D N 0.694 121.048 120.400 -0.077 0.000 2.354 909 D HA 0.026 4.670 4.640 0.006 0.000 0.238 909 D C 0.125 176.301 176.300 -0.207 0.000 1.250 909 D CA 0.245 54.167 54.000 -0.130 0.000 0.911 909 D CB 1.397 42.131 40.800 -0.110 0.000 1.163 909 D HN -0.080 nan 8.370 nan 0.000 0.456 910 V N 1.672 121.407 119.914 -0.299 0.000 2.398 910 V HA 0.181 4.304 4.120 0.006 0.000 0.286 910 V C 1.105 177.049 176.094 -0.250 0.000 1.026 910 V CA -0.366 61.721 62.300 -0.355 0.000 0.868 910 V CB 1.446 32.852 31.823 -0.695 0.000 0.982 910 V HN 0.402 nan 8.190 nan 0.000 0.443 911 I N 4.174 124.604 120.570 -0.233 0.000 3.039 911 I HA 0.281 4.455 4.170 0.006 0.000 0.270 911 I C 0.342 176.365 176.117 -0.157 0.000 1.150 911 I CA 0.845 62.018 61.300 -0.212 0.000 1.448 911 I CB 0.345 38.160 38.000 -0.307 0.000 1.197 911 I HN 0.371 nan 8.210 nan 0.000 0.450 912 I N 1.306 121.802 120.570 -0.123 0.000 2.418 912 I HA 0.445 4.618 4.170 0.006 0.000 0.287 912 I C -0.143 176.009 176.117 0.057 0.000 1.008 912 I CA -0.526 60.740 61.300 -0.056 0.000 1.104 912 I CB 1.744 39.720 38.000 -0.040 0.000 1.264 912 I HN -0.008 nan 8.210 nan 0.000 0.438 913 G N 5.899 114.774 108.800 0.126 0.000 2.370 913 G HA2 0.658 4.622 3.960 0.006 0.000 0.317 913 G HA3 0.658 4.622 3.960 0.006 0.000 0.317 913 G C -0.886 174.190 174.900 0.293 0.000 1.162 913 G CA -0.469 44.758 45.100 0.211 0.000 0.922 913 G HN 0.678 nan 8.290 nan 0.000 0.454 914 K N 0.179 120.721 120.400 0.237 0.000 2.477 914 K HA 0.828 5.152 4.320 0.006 0.000 0.255 914 K C -0.896 175.743 176.600 0.064 0.000 0.952 914 K CA -0.862 55.514 56.287 0.147 0.000 0.826 914 K CB 2.232 34.753 32.500 0.035 0.000 1.331 914 K HN 0.435 nan 8.250 nan 0.000 0.437 915 T N -1.540 113.021 114.554 0.012 0.000 2.881 915 T HA 0.277 4.630 4.350 0.006 0.000 0.290 915 T C -0.642 174.046 174.700 -0.019 0.000 1.000 915 T CA -0.779 61.324 62.100 0.005 0.000 0.978 915 T CB 1.563 70.434 68.868 0.006 0.000 0.997 915 T HN 0.600 nan 8.240 nan 0.000 0.443 916 T N 4.363 118.911 114.554 -0.011 0.000 2.832 916 T HA 0.441 4.795 4.350 0.006 0.000 0.313 916 T C -2.590 172.105 174.700 -0.009 0.000 1.035 916 T CA -2.019 60.072 62.100 -0.014 0.000 0.950 916 T CB 0.069 68.933 68.868 -0.006 0.000 0.984 916 T HN 0.489 nan 8.240 nan 0.000 0.486 917 P HA 0.322 nan 4.420 nan 0.000 0.276 917 P C -0.919 176.379 177.300 -0.003 0.000 1.264 917 P CA -0.383 62.712 63.100 -0.007 0.000 0.769 917 P CB 0.361 32.056 31.700 -0.008 0.000 0.840 918 I N 2.477 123.047 120.570 -0.001 0.000 2.571 918 I HA 0.208 4.382 4.170 0.006 0.000 0.289 918 I C 0.603 176.722 176.117 0.003 0.000 1.115 918 I CA -0.512 60.789 61.300 0.003 0.000 1.045 918 I CB 2.043 40.046 38.000 0.005 0.000 1.238 918 I HN 0.362 nan 8.210 nan 0.000 0.424 934 K N 0.260 120.653 120.400 -0.010 0.000 2.286 934 K HA 0.446 4.770 4.320 0.006 0.000 0.256 934 K C 0.106 176.699 176.600 -0.011 0.000 0.999 934 K CA -0.105 56.175 56.287 -0.011 0.000 0.908 934 K CB 0.314 32.805 32.500 -0.015 0.000 0.981 934 K HN 0.576 nan 8.250 nan 0.000 0.500 935 R N 1.335 121.831 120.500 -0.007 0.000 2.621 935 R HA 0.100 4.444 4.340 0.006 0.000 0.284 935 R C -1.385 174.917 176.300 0.005 0.000 0.998 935 R CA -0.669 55.430 56.100 -0.003 0.000 0.895 935 R CB 1.320 31.622 30.300 0.002 0.000 1.195 935 R HN 0.781 nan 8.270 nan 0.000 0.450 936 D N 2.685 123.089 120.400 0.008 0.000 2.304 936 D HA 0.278 4.921 4.640 0.006 0.000 0.247 936 D C -1.009 175.321 176.300 0.050 0.000 1.089 936 D CA 0.058 54.078 54.000 0.033 0.000 0.910 936 D CB 1.664 42.487 40.800 0.038 0.000 1.199 936 D HN 0.629 nan 8.370 nan 0.000 0.426 937 A N 2.505 125.368 122.820 0.072 0.000 3.292 937 A HA 0.309 4.632 4.320 0.006 0.000 0.231 937 A C -0.619 177.023 177.584 0.097 0.000 0.952 937 A CA -0.598 51.481 52.037 0.071 0.000 1.044 937 A CB 0.144 19.175 19.000 0.052 0.000 1.236 937 A HN 0.301 nan 8.150 nan 0.000 0.525 938 S N 0.713 116.480 115.700 0.112 0.000 2.508 938 S HA 0.475 4.949 4.470 0.006 0.000 0.284 938 S C 0.323 174.952 174.600 0.049 0.000 1.192 938 S CA -0.136 58.129 58.200 0.107 0.000 1.070 938 S CB 1.142 64.434 63.200 0.153 0.000 1.004 938 S HN 0.468 nan 8.310 nan 0.000 0.493 939 T N 6.300 120.876 114.554 0.036 0.000 2.738 939 T HA 0.303 4.657 4.350 0.006 0.000 0.294 939 T C -2.203 172.455 174.700 -0.070 0.000 0.914 939 T CA -0.945 61.168 62.100 0.020 0.000 1.052 939 T CB 0.210 69.109 68.868 0.052 0.000 0.897 939 T HN 0.388 nan 8.240 nan 0.000 0.522 940 P HA 0.241 nan 4.420 nan 0.000 0.279 940 P C -0.241 177.009 177.300 -0.084 0.000 1.252 940 P CA -0.918 62.125 63.100 -0.096 0.000 0.811 940 P CB 0.841 32.514 31.700 -0.045 0.000 1.035 941 L N 2.283 123.423 121.223 -0.138 0.000 2.453 941 L HA 0.147 4.490 4.340 0.006 0.000 0.272 941 L C 0.750 177.673 176.870 0.088 0.000 1.182 941 L CA -0.188 54.596 54.840 -0.093 0.000 0.858 941 L CB -0.060 41.937 42.059 -0.103 0.000 1.120 941 L HN 0.461 nan 8.230 nan 0.000 0.474 942 R N 2.703 123.350 120.500 0.246 0.000 2.549 942 R HA -0.093 4.251 4.340 0.006 0.000 0.336 942 R C 1.635 178.002 176.300 0.111 0.000 0.891 942 R CA 1.015 57.227 56.100 0.187 0.000 1.102 942 R CB 0.147 30.573 30.300 0.209 0.000 0.899 942 R HN 0.845 nan 8.270 nan 0.000 0.407 943 S N 1.840 117.589 115.700 0.081 0.000 2.380 943 S HA -0.282 4.191 4.470 0.006 0.000 0.229 943 S C 1.591 176.222 174.600 0.052 0.000 1.050 943 S CA 1.929 60.165 58.200 0.060 0.000 1.100 943 S CB -0.886 62.349 63.200 0.059 0.000 0.984 943 S HN 0.749 nan 8.310 nan 0.000 0.434 944 T N -1.075 113.508 114.554 0.050 0.000 3.118 944 T HA 0.254 4.608 4.350 0.006 0.000 0.260 944 T C 0.549 175.263 174.700 0.024 0.000 1.139 944 T CA 0.429 62.550 62.100 0.035 0.000 1.085 944 T CB -0.297 68.590 68.868 0.031 0.000 0.934 944 T HN 0.625 nan 8.240 nan 0.000 0.518 945 E N 1.969 122.197 120.200 0.047 0.000 2.267 945 E HA 0.532 4.886 4.350 0.006 0.000 0.258 945 E C -0.235 176.406 176.600 0.068 0.000 1.074 945 E CA -0.812 55.625 56.400 0.062 0.000 0.915 945 E CB 0.662 30.436 29.700 0.123 0.000 1.186 945 E HN 0.521 nan 8.360 nan 0.000 0.439 946 N N -0.103 118.645 118.700 0.080 0.000 4.046 946 N HA 0.363 5.107 4.740 0.006 0.000 0.217 946 N C -0.621 174.927 175.510 0.063 0.000 1.317 946 N CA -0.058 53.026 53.050 0.056 0.000 0.871 946 N CB 0.755 39.259 38.487 0.029 0.000 1.461 946 N HN 0.701 nan 8.380 nan 0.000 0.489 947 G N -0.105 108.718 108.800 0.039 0.000 2.534 947 G HA2 0.315 4.279 3.960 0.006 0.000 0.142 947 G HA3 0.315 4.279 3.960 0.006 0.000 0.142 947 G C -1.897 173.007 174.900 0.006 0.000 1.178 947 G CA -0.260 44.858 45.100 0.029 0.000 1.037 947 G HN 0.707 nan 8.290 nan 0.000 0.474 948 I N 0.405 120.972 120.570 -0.005 0.000 2.686 948 I HA 0.495 4.669 4.170 0.006 0.000 0.295 948 I C -0.122 175.984 176.117 -0.019 0.000 1.114 948 I CA -1.213 60.077 61.300 -0.016 0.000 1.038 948 I CB 2.439 40.426 38.000 -0.021 0.000 1.238 948 I HN 0.307 nan 8.210 nan 0.000 0.420 949 V N 4.093 123.993 119.914 -0.023 0.000 2.555 949 V HA 0.024 4.147 4.120 0.006 0.000 0.286 949 V C 0.607 176.697 176.094 -0.007 0.000 1.044 949 V CA 0.296 62.584 62.300 -0.021 0.000 1.026 949 V CB 1.068 32.867 31.823 -0.040 0.000 0.981 949 V HN 0.886 nan 8.190 nan 0.000 0.480 950 D N 2.802 123.210 120.400 0.014 0.000 2.725 950 D HA 0.073 4.717 4.640 0.006 0.000 0.269 950 D C 0.490 176.815 176.300 0.042 0.000 1.018 950 D CA 0.462 54.487 54.000 0.041 0.000 0.956 950 D CB 1.019 41.877 40.800 0.097 0.000 1.141 950 D HN 0.613 nan 8.370 nan 0.000 0.478 951 Q N 0.315 120.139 119.800 0.040 0.000 2.377 951 Q HA 0.448 4.792 4.340 0.006 0.000 0.279 951 Q C -1.935 174.059 176.000 -0.010 0.000 1.049 951 Q CA -0.667 55.145 55.803 0.016 0.000 0.825 951 Q CB 3.018 31.773 28.738 0.028 0.000 1.401 951 Q HN -0.101 nan 8.270 nan 0.000 0.404 952 V N 3.923 123.817 119.914 -0.035 0.000 2.443 952 V HA 0.426 4.549 4.120 0.006 0.000 0.293 952 V C -0.584 175.464 176.094 -0.078 0.000 1.021 952 V CA -0.692 61.568 62.300 -0.067 0.000 0.848 952 V CB 1.558 33.327 31.823 -0.089 0.000 0.998 952 V HN 0.714 nan 8.190 nan 0.000 0.424 953 L N 6.120 127.285 121.223 -0.096 0.000 2.275 953 L HA 0.721 5.064 4.340 0.006 0.000 0.288 953 L C -0.771 175.998 176.870 -0.168 0.000 1.046 953 L CA -0.247 54.532 54.840 -0.101 0.000 0.805 953 L CB 1.462 43.473 42.059 -0.079 0.000 1.193 953 L HN 0.496 nan 8.230 nan 0.000 0.426 954 V N 4.584 124.428 119.914 -0.117 0.000 2.325 954 V HA 0.579 4.702 4.120 0.006 0.000 0.280 954 V C -0.114 175.970 176.094 -0.016 0.000 1.016 954 V CA -0.260 61.973 62.300 -0.112 0.000 0.818 954 V CB 1.029 32.801 31.823 -0.085 0.000 1.019 954 V HN 0.957 nan 8.190 nan 0.000 0.434 955 T N 1.811 116.386 114.554 0.035 0.000 2.618 955 T HA 0.596 4.950 4.350 0.006 0.000 0.286 955 T C -0.546 174.352 174.700 0.330 0.000 1.027 955 T CA -0.530 61.678 62.100 0.179 0.000 1.063 955 T CB 2.260 71.269 68.868 0.235 0.000 1.440 955 T HN 0.551 nan 8.240 nan 0.000 0.505 956 T N 0.560 115.303 114.554 0.315 0.000 2.901 956 T HA 0.573 4.926 4.350 0.006 0.000 0.293 956 T C -0.911 173.855 174.700 0.109 0.000 1.084 956 T CA -0.606 61.645 62.100 0.250 0.000 1.008 956 T CB 1.577 70.533 68.868 0.146 0.000 1.170 956 T HN 0.484 nan 8.240 nan 0.000 0.509 957 N N 0.894 119.607 118.700 0.022 0.000 2.434 957 N HA 0.279 5.022 4.740 0.006 0.000 0.266 957 N C 1.132 176.616 175.510 -0.044 0.000 1.223 957 N CA -0.043 52.949 53.050 -0.097 0.000 0.972 957 N CB 1.002 39.419 38.487 -0.116 0.000 1.207 957 N HN 0.659 nan 8.380 nan 0.000 0.525 958 Q N -0.425 119.342 119.800 -0.056 0.000 2.248 958 Q HA -0.122 4.221 4.340 0.006 0.000 0.208 958 Q C 0.028 176.018 176.000 -0.017 0.000 0.984 958 Q CA 1.332 57.122 55.803 -0.022 0.000 0.875 958 Q CB 0.151 28.880 28.738 -0.015 0.000 0.910 958 Q HN 0.571 nan 8.270 nan 0.000 0.433 959 D N -1.593 118.789 120.400 -0.030 0.000 2.350 959 D HA 0.072 4.716 4.640 0.006 0.000 0.213 959 D C 0.319 176.601 176.300 -0.029 0.000 1.031 959 D CA 0.829 54.806 54.000 -0.039 0.000 0.861 959 D CB 0.604 41.366 40.800 -0.063 0.000 0.926 959 D HN 0.361 nan 8.370 nan 0.000 0.520 960 G N 1.447 110.243 108.800 -0.007 0.000 2.341 960 G HA2 -0.242 3.722 3.960 0.006 0.000 0.278 960 G HA3 -0.242 3.722 3.960 0.006 0.000 0.278 960 G C -0.163 174.750 174.900 0.022 0.000 1.111 960 G CA -0.237 44.871 45.100 0.014 0.000 0.982 960 G HN 0.259 nan 8.290 nan 0.000 0.502 961 L N 0.015 121.261 121.223 0.039 0.000 2.305 961 L HA 0.462 4.805 4.340 0.006 0.000 0.284 961 L C 0.863 177.828 176.870 0.159 0.000 1.013 961 L CA -1.024 53.855 54.840 0.065 0.000 0.819 961 L CB 1.795 43.881 42.059 0.044 0.000 1.227 961 L HN 0.215 nan 8.230 nan 0.000 0.417 962 K N 3.778 124.277 120.400 0.165 0.000 2.453 962 K HA 0.131 4.455 4.320 0.006 0.000 0.280 962 K C -1.045 175.804 176.600 0.416 0.000 1.045 962 K CA 0.316 56.763 56.287 0.266 0.000 1.059 962 K CB 0.269 32.912 32.500 0.238 0.000 0.901 962 K HN 0.456 nan 8.250 nan 0.000 0.475 963 F N 3.540 123.636 119.950 0.242 0.000 2.591 963 F HA 0.539 5.071 4.527 0.007 0.000 0.309 963 F C -1.934 173.969 175.800 0.172 0.000 1.098 963 F CA -0.895 57.248 58.000 0.238 0.000 0.937 963 F CB 1.436 40.519 39.000 0.139 0.000 1.250 963 F HN 0.130 nan 8.300 nan 0.000 0.447 964 V N 5.169 124.774 119.914 -0.516 0.000 2.638 964 V HA 0.483 4.607 4.120 0.006 0.000 0.306 964 V C -0.916 174.850 176.094 -0.547 0.000 1.052 964 V CA -0.800 61.164 62.300 -0.561 0.000 0.885 964 V CB 2.321 33.818 31.823 -0.543 0.000 0.999 964 V HN 0.836 nan 8.190 nan 0.000 0.424 965 K N 3.242 123.364 120.400 -0.463 0.000 2.203 965 K HA 0.830 5.154 4.320 0.006 0.000 0.251 965 K C -1.492 175.033 176.600 -0.124 0.000 0.944 965 K CA -0.700 55.455 56.287 -0.219 0.000 0.829 965 K CB 2.475 34.884 32.500 -0.151 0.000 1.125 965 K HN 0.406 nan 8.250 nan 0.000 0.430 966 V N 2.649 122.549 119.914 -0.024 0.000 2.483 966 V HA 0.361 4.485 4.120 0.006 0.000 0.297 966 V C -0.623 175.526 176.094 0.092 0.000 1.027 966 V CA -0.879 61.418 62.300 -0.005 0.000 0.855 966 V CB 1.504 33.298 31.823 -0.048 0.000 0.995 966 V HN 0.662 nan 8.190 nan 0.000 0.424 967 R N 3.934 124.476 120.500 0.070 0.000 2.229 967 R HA 0.705 5.048 4.340 0.006 0.000 0.328 967 R C -1.288 175.074 176.300 0.104 0.000 1.009 967 R CA -0.232 55.937 56.100 0.114 0.000 0.864 967 R CB 1.411 31.781 30.300 0.116 0.000 1.085 967 R HN 0.537 nan 8.270 nan 0.000 0.453 968 V N 5.101 125.091 119.914 0.126 0.000 2.513 968 V HA 0.555 4.678 4.120 0.006 0.000 0.299 968 V C 0.035 176.113 176.094 -0.027 0.000 1.035 968 V CA -0.823 61.519 62.300 0.070 0.000 0.889 968 V CB 1.396 33.300 31.823 0.135 0.000 0.988 968 V HN 0.724 nan 8.190 nan 0.000 0.440 969 R N 2.390 122.830 120.500 -0.101 0.000 2.854 969 R HA 0.840 5.183 4.340 0.006 0.000 0.271 969 R C -1.357 174.852 176.300 -0.151 0.000 0.996 969 R CA -0.227 55.688 56.100 -0.308 0.000 0.961 969 R CB 2.449 32.427 30.300 -0.538 0.000 1.182 969 R HN 0.858 nan 8.270 nan 0.000 0.479 970 T N 0.828 115.302 114.554 -0.133 0.000 2.957 970 T HA 0.242 4.595 4.350 0.006 0.000 0.336 970 T C -1.097 173.618 174.700 0.025 0.000 1.462 970 T CA -0.580 61.530 62.100 0.016 0.000 1.073 970 T CB 1.801 70.765 68.868 0.161 0.000 1.319 970 T HN 0.456 nan 8.240 nan 0.000 0.485 971 T N 2.651 117.220 114.554 0.026 0.000 2.829 971 T HA 0.499 4.853 4.350 0.006 0.000 0.282 971 T C -0.355 174.346 174.700 0.001 0.000 0.990 971 T CA -0.671 61.451 62.100 0.038 0.000 1.028 971 T CB 0.778 69.682 68.868 0.061 0.000 0.951 971 T HN 0.358 nan 8.240 nan 0.000 0.460 972 K N 3.362 123.753 120.400 -0.016 0.000 2.367 972 K HA 0.469 4.793 4.320 0.006 0.000 0.263 972 K C -0.507 176.052 176.600 -0.069 0.000 1.000 972 K CA -0.421 55.841 56.287 -0.042 0.000 0.891 972 K CB 0.926 33.398 32.500 -0.046 0.000 1.117 972 K HN 0.532 nan 8.250 nan 0.000 0.443 973 I N 3.971 124.502 120.570 -0.064 0.000 2.365 973 I HA 0.217 4.391 4.170 0.006 0.000 0.291 973 I C -2.018 174.097 176.117 -0.003 0.000 1.004 973 I CA -2.594 58.670 61.300 -0.060 0.000 1.311 973 I CB 0.676 38.637 38.000 -0.064 0.000 1.401 973 I HN 0.273 nan 8.210 nan 0.000 0.491 974 P HA -0.041 nan 4.420 nan 0.000 0.252 974 P C -0.327 177.004 177.300 0.051 0.000 1.183 974 P CA 0.442 63.618 63.100 0.127 0.000 0.973 974 P CB 0.278 32.085 31.700 0.178 0.000 0.990 975 Q N 2.990 122.818 119.800 0.046 0.000 3.060 975 Q HA 0.207 4.551 4.340 0.006 0.000 0.211 975 Q C 0.961 176.962 176.000 0.002 0.000 1.164 975 Q CA -0.428 55.379 55.803 0.006 0.000 0.373 975 Q CB 0.106 28.843 28.738 -0.002 0.000 5.666 975 Q HN 0.210 nan 8.270 nan 0.000 0.318 976 I N -0.462 120.105 120.570 -0.004 0.000 2.490 976 I HA 0.128 4.302 4.170 0.006 0.000 0.234 976 I C 1.505 177.630 176.117 0.013 0.000 1.066 976 I CA 1.716 63.005 61.300 -0.018 0.000 1.405 976 I CB -0.402 37.581 38.000 -0.028 0.000 1.191 976 I HN 0.621 nan 8.210 nan 0.000 0.433 977 G N 1.216 110.034 108.800 0.031 0.000 3.383 977 G HA2 0.054 4.017 3.960 0.006 0.000 0.251 977 G HA3 0.054 4.017 3.960 0.006 0.000 0.251 977 G C -0.317 174.637 174.900 0.091 0.000 1.203 977 G CA -0.274 44.858 45.100 0.054 0.000 0.852 977 G HN 0.356 nan 8.290 nan 0.000 0.531 978 D N 0.973 121.456 120.400 0.138 0.000 2.458 978 D HA 0.059 4.703 4.640 0.006 0.000 0.243 978 D C 0.431 176.873 176.300 0.237 0.000 1.146 978 D CA 0.406 54.506 54.000 0.166 0.000 0.877 978 D CB 1.503 42.457 40.800 0.256 0.000 1.176 978 D HN 0.100 nan 8.370 nan 0.000 0.461 979 K N 1.864 122.305 120.400 0.070 0.000 2.412 979 K HA 0.145 4.469 4.320 0.006 0.000 0.281 979 K C -0.634 175.906 176.600 -0.100 0.000 1.027 979 K CA 0.125 56.458 56.287 0.077 0.000 0.989 979 K CB 0.341 32.889 32.500 0.081 0.000 0.935 979 K HN 0.182 nan 8.250 nan 0.000 0.475 980 F N 1.328 121.266 119.950 -0.020 0.000 2.790 980 F HA 0.765 5.295 4.527 0.005 0.000 0.386 980 F C -0.258 175.569 175.800 0.045 0.000 1.206 980 F CA -0.664 57.316 58.000 -0.034 0.000 1.109 980 F CB 1.738 40.685 39.000 -0.089 0.000 1.469 980 F HN 0.528 nan 8.300 nan 0.000 0.513 981 A N 0.086 123.082 122.820 0.293 0.000 2.581 981 A HA 0.510 4.834 4.320 0.006 0.000 0.309 981 A C -0.668 176.678 177.584 -0.396 0.000 1.022 981 A CA -0.459 51.595 52.037 0.028 0.000 0.833 981 A CB 0.022 19.028 19.000 0.011 0.000 1.208 981 A HN 0.846 nan 8.150 nan 0.000 0.388 982 S N 1.425 116.723 115.700 -0.670 0.000 2.596 982 S HA 0.565 5.039 4.470 0.006 0.000 0.262 982 S C 0.715 175.160 174.600 -0.258 0.000 1.218 982 S CA -0.068 57.650 58.200 -0.805 0.000 0.998 982 S CB 0.501 63.432 63.200 -0.448 0.000 1.060 982 S HN 0.842 nan 8.310 nan 0.000 0.552 983 R N -0.409 119.968 120.500 -0.205 0.000 2.702 983 R HA 0.295 4.639 4.340 0.006 0.000 0.314 983 R C -0.426 175.542 176.300 -0.553 0.000 1.152 983 R CA 0.020 55.945 56.100 -0.292 0.000 1.097 983 R CB -0.491 29.648 30.300 -0.269 0.000 1.343 983 R HN 0.782 nan 8.270 nan 0.000 0.575 984 H N -2.287 116.796 119.070 0.023 0.000 2.985 984 H HA 0.206 4.766 4.556 0.006 0.000 0.246 984 H C 0.919 176.308 175.328 0.101 0.000 1.181 984 H CA 0.316 56.413 56.048 0.081 0.000 0.972 984 H CB 1.725 31.585 29.762 0.164 0.000 2.016 984 H HN 0.367 nan 8.280 nan 0.000 0.672 985 G N 0.858 109.747 108.800 0.148 0.000 2.189 985 G HA2 -0.361 3.603 3.960 0.006 0.000 0.267 985 G HA3 -0.361 3.603 3.960 0.006 0.000 0.267 985 G C 0.658 175.622 174.900 0.107 0.000 0.975 985 G CA 0.263 45.464 45.100 0.169 0.000 0.644 985 G HN 0.336 nan 8.290 nan 0.000 0.537 986 Q N 1.193 121.068 119.800 0.125 0.000 2.431 986 Q HA 0.364 4.708 4.340 0.006 0.000 0.234 986 Q C 0.691 176.738 176.000 0.078 0.000 1.203 986 Q CA 0.279 56.134 55.803 0.086 0.000 0.902 986 Q CB -0.036 28.754 28.738 0.086 0.000 1.455 986 Q HN 0.785 nan 8.270 nan 0.000 0.515 987 K N 0.815 121.243 120.400 0.047 0.000 2.123 987 K HA 0.885 5.209 4.320 0.006 0.000 0.259 987 K C -0.173 176.475 176.600 0.080 0.000 0.960 987 K CA -0.881 55.443 56.287 0.062 0.000 0.872 987 K CB 1.640 34.152 32.500 0.019 0.000 1.079 987 K HN 0.369 nan 8.250 nan 0.000 0.440 988 G N 0.553 109.428 108.800 0.125 0.000 2.556 988 G HA2 0.346 4.309 3.960 0.006 0.000 0.294 988 G HA3 0.346 4.309 3.960 0.006 0.000 0.294 988 G C -1.070 173.923 174.900 0.155 0.000 1.516 988 G CA -0.564 44.607 45.100 0.118 0.000 0.824 988 G HN 0.811 nan 8.290 nan 0.000 0.535 989 T N -1.360 113.264 114.554 0.117 0.000 2.897 989 T HA 0.731 5.085 4.350 0.006 0.000 0.278 989 T C 0.343 175.085 174.700 0.069 0.000 0.981 989 T CA -0.715 61.464 62.100 0.131 0.000 0.973 989 T CB 1.076 70.003 68.868 0.099 0.000 1.092 989 T HN 0.493 nan 8.240 nan 0.000 0.543 990 I N 1.799 122.391 120.570 0.037 0.000 2.396 990 I HA 0.344 4.518 4.170 0.006 0.000 0.289 990 I C 1.589 177.702 176.117 -0.008 0.000 1.056 990 I CA -0.325 60.950 61.300 -0.041 0.000 1.365 990 I CB 1.090 39.025 38.000 -0.110 0.000 1.407 990 I HN 0.998 nan 8.210 nan 0.000 0.509 991 G N 6.482 115.286 108.800 0.006 0.000 2.408 991 G HA2 0.151 4.114 3.960 0.006 0.000 0.213 991 G HA3 0.151 4.114 3.960 0.006 0.000 0.213 991 G C 0.273 175.156 174.900 -0.029 0.000 1.177 991 G CA 0.590 45.721 45.100 0.051 0.000 0.802 991 G HN 0.451 nan 8.290 nan 0.000 0.533 992 I N -1.746 118.745 120.570 -0.131 0.000 3.102 992 I HA 0.489 4.663 4.170 0.006 0.000 0.310 992 I C -1.197 174.721 176.117 -0.332 0.000 1.246 992 I CA -0.627 60.469 61.300 -0.339 0.000 0.979 992 I CB 2.795 40.375 38.000 -0.700 0.000 1.267 992 I HN -0.102 nan 8.210 nan 0.000 0.451 993 T N 3.611 117.938 114.554 -0.379 0.000 2.977 993 T HA 0.533 4.887 4.350 0.006 0.000 0.346 993 T C -1.076 173.461 174.700 -0.272 0.000 1.140 993 T CA -0.126 61.815 62.100 -0.265 0.000 1.040 993 T CB -0.267 68.503 68.868 -0.162 0.000 1.046 993 T HN 0.312 nan 8.240 nan 0.000 0.494 994 Y N 2.546 122.837 120.300 -0.016 0.000 2.300 994 Y HA 0.487 5.041 4.550 0.006 0.000 0.328 994 Y C 1.267 177.171 175.900 0.007 0.000 1.270 994 Y CA -0.994 57.116 58.100 0.018 0.000 1.352 994 Y CB 0.850 39.359 38.460 0.082 0.000 1.286 994 Y HN 0.465 nan 8.280 nan 0.000 0.536 995 R N 0.540 121.164 120.500 0.206 0.000 2.553 995 R HA 0.250 4.594 4.340 0.006 0.000 0.263 995 R C 1.457 177.812 176.300 0.091 0.000 1.066 995 R CA -0.562 55.599 56.100 0.101 0.000 1.135 995 R CB 0.768 31.108 30.300 0.067 0.000 1.148 995 R HN 0.770 nan 8.270 nan 0.000 0.558 996 R N 0.798 121.327 120.500 0.049 0.000 2.133 996 R HA -0.244 4.100 4.340 0.006 0.000 0.247 996 R C 1.079 177.400 176.300 0.035 0.000 1.151 996 R CA 2.455 58.576 56.100 0.035 0.000 0.971 996 R CB 0.020 30.323 30.300 0.006 0.000 0.866 996 R HN 0.649 nan 8.270 nan 0.000 0.447 997 E N 0.581 120.798 120.200 0.029 0.000 2.017 997 E HA -0.172 4.182 4.350 0.006 0.000 0.193 997 E C 1.562 178.220 176.600 0.097 0.000 0.997 997 E CA 1.658 58.075 56.400 0.027 0.000 0.804 997 E CB -0.287 29.416 29.700 0.004 0.000 0.757 997 E HN 0.419 nan 8.360 nan 0.000 0.448 998 D N 0.144 120.605 120.400 0.103 0.000 2.351 998 D HA -0.092 4.552 4.640 0.006 0.000 0.216 998 D C 0.474 176.907 176.300 0.223 0.000 0.968 998 D CA 0.511 54.615 54.000 0.172 0.000 0.899 998 D CB -0.119 40.735 40.800 0.090 0.000 0.907 998 D HN 0.183 nan 8.370 nan 0.000 0.514 999 M N 2.070 121.742 119.600 0.119 0.000 2.185 999 M HA 0.186 4.669 4.480 0.006 0.000 0.357 999 M C -2.354 173.966 176.300 0.033 0.000 1.260 999 M CA -1.738 53.550 55.300 -0.021 0.000 1.124 999 M CB 1.341 33.954 32.600 0.022 0.000 1.600 999 M HN -0.300 nan 8.290 nan 0.000 0.467 1000 P HA 0.119 nan 4.420 nan 0.000 0.269 1000 P C -1.442 175.868 177.300 0.016 0.000 1.217 1000 P CA 0.262 63.285 63.100 -0.128 0.000 0.783 1000 P CB 0.011 31.485 31.700 -0.376 0.000 0.898 1001 F N -2.678 117.230 119.950 -0.070 0.000 2.635 1001 F HA 0.496 5.026 4.527 0.006 0.000 0.314 1001 F C -0.462 175.311 175.800 -0.047 0.000 1.119 1001 F CA -1.080 56.871 58.000 -0.081 0.000 1.000 1001 F CB 0.755 39.732 39.000 -0.039 0.000 1.278 1001 F HN 0.231 nan 8.300 nan 0.000 0.446 1002 T N 1.280 115.855 114.554 0.035 0.000 2.828 1002 T HA 0.513 4.867 4.350 0.006 0.000 0.290 1002 T C 1.315 176.122 174.700 0.179 0.000 1.019 1002 T CA 0.244 62.374 62.100 0.050 0.000 1.031 1002 T CB 1.215 70.076 68.868 -0.012 0.000 1.001 1002 T HN 1.091 nan 8.240 nan 0.000 0.531 1003 A N 2.073 124.979 122.820 0.143 0.000 1.940 1003 A HA -0.074 4.249 4.320 0.006 0.000 0.219 1003 A C 2.142 179.760 177.584 0.058 0.000 1.176 1003 A CA 2.149 54.213 52.037 0.044 0.000 0.631 1003 A CB -0.910 18.154 19.000 0.107 0.000 0.814 1003 A HN 0.994 nan 8.150 nan 0.000 0.446 1004 E N -1.912 118.347 120.200 0.099 0.000 2.160 1004 E HA 0.024 4.378 4.350 0.006 0.000 0.195 1004 E C 1.221 177.866 176.600 0.076 0.000 0.991 1004 E CA 0.846 57.299 56.400 0.089 0.000 0.810 1004 E CB -0.176 29.610 29.700 0.143 0.000 0.742 1004 E HN 0.829 nan 8.360 nan 0.000 0.466 1005 G N -0.001 108.864 108.800 0.108 0.000 2.148 1005 G HA2 -0.153 3.811 3.960 0.006 0.000 0.157 1005 G HA3 -0.153 3.811 3.960 0.006 0.000 0.157 1005 G C 0.009 174.969 174.900 0.099 0.000 1.012 1005 G CA -0.248 44.894 45.100 0.070 0.000 0.677 1005 G HN 0.038 nan 8.290 nan 0.000 0.506 1006 I N 0.912 121.587 120.570 0.175 0.000 2.575 1006 I HA 0.482 4.655 4.170 0.006 0.000 0.285 1006 I C 1.016 177.286 176.117 0.256 0.000 1.085 1006 I CA -0.826 60.614 61.300 0.235 0.000 1.403 1006 I CB 0.968 39.211 38.000 0.404 0.000 1.409 1006 I HN -0.088 nan 8.210 nan 0.000 0.557 1007 V N 7.420 127.472 119.914 0.231 0.000 2.850 1007 V HA 0.489 4.613 4.120 0.006 0.000 0.315 1007 V C -2.049 174.252 176.094 0.345 0.000 1.064 1007 V CA -1.843 60.590 62.300 0.222 0.000 0.979 1007 V CB 2.373 34.264 31.823 0.115 0.000 1.039 1007 V HN 0.679 nan 8.190 nan 0.000 0.452 1008 P HA 0.242 nan 4.420 nan 0.000 0.279 1008 P C -0.442 176.912 177.300 0.090 0.000 1.239 1008 P CA -0.140 63.130 63.100 0.283 0.000 0.789 1008 P CB 0.916 32.795 31.700 0.300 0.000 0.933 1009 D N 1.011 121.420 120.400 0.014 0.000 2.323 1009 D HA 0.052 4.695 4.640 0.006 0.000 0.209 1009 D C 0.286 176.561 176.300 -0.043 0.000 0.973 1009 D CA 1.173 55.165 54.000 -0.014 0.000 0.874 1009 D CB 0.310 41.092 40.800 -0.030 0.000 0.930 1009 D HN 0.166 nan 8.370 nan 0.000 0.521 1010 L N 0.655 121.845 121.223 -0.054 0.000 2.543 1010 L HA 0.361 4.705 4.340 0.006 0.000 0.265 1010 L C -1.640 175.194 176.870 -0.059 0.000 0.945 1010 L CA -0.393 54.377 54.840 -0.117 0.000 0.869 1010 L CB 2.266 44.166 42.059 -0.264 0.000 1.294 1010 L HN -0.235 nan 8.230 nan 0.000 0.405 1011 I N 6.028 126.575 120.570 -0.038 0.000 2.411 1011 I HA 0.488 4.661 4.170 0.006 0.000 0.284 1011 I C 0.005 176.133 176.117 0.019 0.000 1.012 1011 I CA -0.573 60.735 61.300 0.014 0.000 1.119 1011 I CB 1.315 39.337 38.000 0.036 0.000 1.261 1011 I HN 0.509 nan 8.210 nan 0.000 0.448 1012 I N 1.973 122.561 120.570 0.030 0.000 2.793 1012 I HA 0.580 4.754 4.170 0.006 0.000 0.313 1012 I C -0.270 175.874 176.117 0.046 0.000 0.998 1012 I CA -0.671 60.655 61.300 0.044 0.000 1.140 1012 I CB 1.461 39.503 38.000 0.069 0.000 1.327 1012 I HN 0.399 nan 8.210 nan 0.000 0.491 1013 N N 3.781 122.507 118.700 0.043 0.000 2.530 1013 N HA 0.345 5.088 4.740 0.006 0.000 0.277 1013 N C -1.677 173.812 175.510 -0.035 0.000 1.168 1013 N CA -2.095 50.974 53.050 0.031 0.000 0.979 1013 N CB 1.054 39.588 38.487 0.078 0.000 1.141 1013 N HN 0.450 nan 8.380 nan 0.000 0.459 1014 P HA -0.114 nan 4.420 nan 0.000 0.223 1014 P C 0.376 177.546 177.300 -0.217 0.000 1.151 1014 P CA 1.252 64.234 63.100 -0.197 0.000 0.787 1014 P CB 0.139 31.678 31.700 -0.267 0.000 0.788 1015 H N 0.560 119.622 119.070 -0.014 0.000 2.543 1015 H HA 0.097 4.656 4.556 0.006 0.000 0.286 1015 H C 1.449 176.761 175.328 -0.025 0.000 1.037 1015 H CA 1.085 57.123 56.048 -0.017 0.000 1.250 1015 H CB -0.441 29.315 29.762 -0.010 0.000 1.373 1015 H HN 0.162 nan 8.280 nan 0.000 0.580 1016 A N 0.706 123.553 122.820 0.046 0.000 2.412 1016 A HA 0.166 4.489 4.320 0.006 0.000 0.253 1016 A C 1.528 179.088 177.584 -0.040 0.000 1.334 1016 A CA 0.049 52.091 52.037 0.008 0.000 0.929 1016 A CB -0.377 18.624 19.000 0.002 0.000 0.983 1016 A HN 0.166 nan 8.150 nan 0.000 0.508 1017 I N -0.447 120.096 120.570 -0.044 0.000 3.623 1017 I HA 0.084 4.257 4.170 0.006 0.000 0.253 1017 I C -0.803 175.285 176.117 -0.049 0.000 1.144 1017 I CA 0.285 61.534 61.300 -0.084 0.000 1.461 1017 I CB -1.428 36.494 38.000 -0.130 0.000 1.575 1017 I HN 0.092 nan 8.210 nan 0.000 0.445 1018 P HA -0.069 nan 4.420 nan 0.000 0.218 1018 P C 1.798 179.102 177.300 0.006 0.000 1.152 1018 P CA 1.412 64.505 63.100 -0.010 0.000 0.826 1018 P CB 0.253 31.953 31.700 0.002 0.000 0.790 1019 S N 0.096 115.805 115.700 0.015 0.000 2.382 1019 S HA -0.091 4.382 4.470 0.006 0.000 0.228 1019 S C 1.834 176.447 174.600 0.020 0.000 1.027 1019 S CA 0.900 59.111 58.200 0.018 0.000 0.991 1019 S CB -0.482 62.730 63.200 0.020 0.000 0.823 1019 S HN 0.151 nan 8.310 nan 0.000 0.469 1020 R N 0.107 120.617 120.500 0.017 0.000 2.334 1020 R HA 0.333 4.676 4.340 0.006 0.000 0.216 1020 R C 0.498 176.820 176.300 0.037 0.000 0.905 1020 R CA 0.123 56.242 56.100 0.033 0.000 1.064 1020 R CB -0.279 30.038 30.300 0.029 0.000 1.046 1020 R HN 0.391 nan 8.270 nan 0.000 0.508 1021 M N 1.234 120.845 119.600 0.019 0.000 2.199 1021 M HA -0.198 4.286 4.480 0.006 0.000 0.197 1021 M C 0.284 176.599 176.300 0.025 0.000 0.295 1021 M CA 1.127 56.437 55.300 0.017 0.000 0.384 1021 M CB -1.627 30.988 32.600 0.026 0.000 1.159 1021 M HN 0.067 nan 8.290 nan 0.000 0.932 1022 T N -0.269 114.295 114.554 0.016 0.000 3.781 1022 T HA 0.378 4.732 4.350 0.006 0.000 0.286 1022 T C 1.094 175.776 174.700 -0.030 0.000 1.277 1022 T CA -0.307 61.808 62.100 0.024 0.000 1.136 1022 T CB 0.039 68.933 68.868 0.044 0.000 1.202 1022 T HN 0.275 nan 8.240 nan 0.000 0.884 1023 V N 4.256 124.166 119.914 -0.007 0.000 2.358 1023 V HA -0.070 4.054 4.120 0.006 0.000 0.246 1023 V C 3.015 179.067 176.094 -0.070 0.000 1.047 1023 V CA 1.845 64.127 62.300 -0.030 0.000 1.035 1023 V CB -1.294 30.538 31.823 0.016 0.000 0.658 1023 V HN 0.898 nan 8.190 nan 0.000 0.452 1024 A N -0.638 122.159 122.820 -0.038 0.000 2.104 1024 A HA -0.352 3.971 4.320 0.006 0.000 0.223 1024 A C 2.187 179.567 177.584 -0.341 0.000 1.164 1024 A CA 2.259 54.263 52.037 -0.056 0.000 0.659 1024 A CB -0.942 18.188 19.000 0.216 0.000 0.808 1024 A HN 0.737 nan 8.150 nan 0.000 0.465 1025 H N 0.377 119.030 119.070 -0.694 0.000 2.321 1025 H HA -0.087 4.473 4.556 0.006 0.000 0.300 1025 H C 1.847 177.064 175.328 -0.185 0.000 1.087 1025 H CA 2.021 57.677 56.048 -0.653 0.000 1.319 1025 H CB -0.232 29.307 29.762 -0.371 0.000 1.379 1025 H HN 0.489 nan 8.280 nan 0.000 0.501 1026 L N 0.348 121.584 121.223 0.022 0.000 1.976 1026 L HA -0.191 4.153 4.340 0.006 0.000 0.209 1026 L C 2.951 179.869 176.870 0.080 0.000 1.071 1026 L CA 1.334 56.172 54.840 -0.004 0.000 0.746 1026 L CB -0.792 41.132 42.059 -0.226 0.000 0.890 1026 L HN 0.182 nan 8.230 nan 0.000 0.432 1027 I N 0.429 120.967 120.570 -0.054 0.000 2.091 1027 I HA -0.412 3.762 4.170 0.006 0.000 0.240 1027 I C 2.706 178.842 176.117 0.030 0.000 1.046 1027 I CA 2.255 63.468 61.300 -0.145 0.000 1.306 1027 I CB -0.755 36.965 38.000 -0.467 0.000 1.018 1027 I HN 0.451 nan 8.210 nan 0.000 0.404 1028 E N 0.693 121.000 120.200 0.178 0.000 2.086 1028 E HA -0.337 4.016 4.350 0.006 0.000 0.200 1028 E C 2.366 179.043 176.600 0.129 0.000 1.012 1028 E CA 2.348 58.897 56.400 0.249 0.000 0.812 1028 E CB -0.283 29.557 29.700 0.234 0.000 0.743 1028 E HN 0.612 nan 8.360 nan 0.000 0.453 1029 C N -0.139 119.228 119.300 0.113 0.000 2.440 1029 C HA -0.048 4.416 4.460 0.006 0.000 0.278 1029 C C 2.616 177.623 174.990 0.030 0.000 1.295 1029 C CA 0.720 59.800 59.018 0.103 0.000 1.738 1029 C CB -1.112 26.796 27.740 0.280 0.000 1.987 1029 C HN 0.618 nan 8.230 nan 0.000 0.492 1030 L N 0.185 121.458 121.223 0.084 0.000 2.072 1030 L HA 0.027 4.371 4.340 0.006 0.000 0.205 1030 L C 2.199 179.056 176.870 -0.021 0.000 1.079 1030 L CA 1.453 56.294 54.840 0.002 0.000 0.752 1030 L CB -0.800 41.296 42.059 0.062 0.000 0.906 1030 L HN 0.279 nan 8.230 nan 0.000 0.436 1031 L N -1.066 120.174 121.223 0.029 0.000 1.970 1031 L HA -0.203 4.141 4.340 0.006 0.000 0.212 1031 L C 2.582 179.447 176.870 -0.007 0.000 1.071 1031 L CA 2.038 56.905 54.840 0.045 0.000 0.751 1031 L CB -1.164 40.991 42.059 0.161 0.000 0.889 1031 L HN 0.258 nan 8.230 nan 0.000 0.432 1032 S N -0.556 115.143 115.700 -0.002 0.000 2.374 1032 S HA -0.277 4.197 4.470 0.006 0.000 0.227 1032 S C 1.959 176.501 174.600 -0.097 0.000 1.037 1032 S CA 1.725 59.905 58.200 -0.033 0.000 1.024 1032 S CB -0.315 62.883 63.200 -0.003 0.000 0.861 1032 S HN 0.425 nan 8.310 nan 0.000 0.456 1033 K N 0.878 121.191 120.400 -0.145 0.000 1.991 1033 K HA -0.101 4.223 4.320 0.006 0.000 0.212 1033 K C 1.865 178.336 176.600 -0.215 0.000 1.049 1033 K CA 1.574 57.724 56.287 -0.228 0.000 0.932 1033 K CB -0.322 31.995 32.500 -0.305 0.000 0.717 1033 K HN 0.168 nan 8.250 nan 0.000 0.441 1034 V N 1.019 120.827 119.914 -0.178 0.000 2.720 1034 V HA -0.193 3.930 4.120 0.006 0.000 0.256 1034 V C 2.180 178.153 176.094 -0.201 0.000 1.082 1034 V CA 1.793 63.965 62.300 -0.214 0.000 1.101 1034 V CB -0.381 31.356 31.823 -0.142 0.000 0.693 1034 V HN 0.492 nan 8.190 nan 0.000 0.479 1035 A N -0.379 122.365 122.820 -0.127 0.000 2.072 1035 A HA 0.212 4.535 4.320 0.006 0.000 0.216 1035 A C 2.326 179.855 177.584 -0.092 0.000 1.156 1035 A CA 1.247 53.229 52.037 -0.092 0.000 0.701 1035 A CB -0.332 18.632 19.000 -0.059 0.000 0.816 1035 A HN 0.509 nan 8.150 nan 0.000 0.458 1036 A N -0.423 122.331 122.820 -0.111 0.000 2.014 1036 A HA 0.175 4.499 4.320 0.006 0.000 0.218 1036 A C 2.032 179.568 177.584 -0.080 0.000 1.163 1036 A CA 1.158 53.140 52.037 -0.092 0.000 0.652 1036 A CB -0.326 18.607 19.000 -0.112 0.000 0.808 1036 A HN 0.440 nan 8.150 nan 0.000 0.449 1037 L N -0.408 120.739 121.223 -0.126 0.000 2.121 1037 L HA -0.057 4.287 4.340 0.006 0.000 0.200 1037 L C 2.942 179.782 176.870 -0.051 0.000 1.077 1037 L CA 1.276 56.062 54.840 -0.089 0.000 0.766 1037 L CB -0.451 41.493 42.059 -0.192 0.000 0.931 1037 L HN 0.481 nan 8.230 nan 0.000 0.452 1038 S N 0.076 115.671 115.700 -0.175 0.000 2.419 1038 S HA -0.048 4.426 4.470 0.006 0.000 0.233 1038 S C 1.596 176.222 174.600 0.043 0.000 1.016 1038 S CA 0.665 58.864 58.200 -0.000 0.000 0.974 1038 S CB -0.527 62.640 63.200 -0.054 0.000 0.786 1038 S HN 0.586 nan 8.310 nan 0.000 0.492 1039 G N 1.362 110.161 108.800 -0.002 0.000 2.182 1039 G HA2 -0.200 3.763 3.960 0.006 0.000 0.248 1039 G HA3 -0.200 3.763 3.960 0.006 0.000 0.248 1039 G C -0.214 174.685 174.900 -0.001 0.000 1.042 1039 G CA 0.140 45.242 45.100 0.003 0.000 0.775 1039 G HN 0.573 nan 8.290 nan 0.000 0.501 1040 N N -0.482 118.210 118.700 -0.013 0.000 2.545 1040 N HA 0.530 5.274 4.740 0.006 0.000 0.289 1040 N C -0.405 175.089 175.510 -0.028 0.000 1.279 1040 N CA -0.706 52.336 53.050 -0.013 0.000 0.824 1040 N CB 1.292 39.779 38.487 -0.001 0.000 1.395 1040 N HN 0.387 nan 8.380 nan 0.000 0.526 1041 E N -0.703 119.478 120.200 -0.032 0.000 2.242 1041 E HA 0.522 4.875 4.350 0.006 0.000 0.275 1041 E C -0.296 176.277 176.600 -0.045 0.000 1.002 1041 E CA -0.808 55.564 56.400 -0.047 0.000 0.841 1041 E CB 0.969 30.631 29.700 -0.063 0.000 1.109 1041 E HN 0.614 nan 8.360 nan 0.000 0.394 1042 G N 2.443 111.211 108.800 -0.053 0.000 2.320 1042 G HA2 0.118 4.082 3.960 0.006 0.000 0.300 1042 G HA3 0.118 4.082 3.960 0.006 0.000 0.300 1042 G C -0.790 174.064 174.900 -0.077 0.000 1.126 1042 G CA -0.417 44.660 45.100 -0.038 0.000 0.896 1042 G HN 0.497 nan 8.290 nan 0.000 0.436 1043 D N 1.733 122.103 120.400 -0.051 0.000 2.380 1043 D HA 0.441 5.085 4.640 0.006 0.000 0.230 1043 D C 0.750 176.960 176.300 -0.150 0.000 1.154 1043 D CA -0.425 53.517 54.000 -0.097 0.000 0.859 1043 D CB 1.177 41.952 40.800 -0.042 0.000 1.045 1043 D HN 0.304 nan 8.370 nan 0.000 0.495 1044 A N 3.036 125.631 122.820 -0.374 0.000 2.535 1044 A HA 0.249 4.572 4.320 0.006 0.000 0.273 1044 A C 0.641 177.823 177.584 -0.670 0.000 1.267 1044 A CA -0.467 51.032 52.037 -0.897 0.000 0.940 1044 A CB -0.057 18.273 19.000 -1.116 0.000 1.101 1044 A HN 0.425 nan 8.150 nan 0.000 0.521 1045 S N 2.423 117.923 115.700 -0.333 0.000 2.558 1045 S HA 0.110 4.584 4.470 0.006 0.000 0.293 1045 S C -1.457 173.059 174.600 -0.140 0.000 1.292 1045 S CA -0.390 57.689 58.200 -0.201 0.000 1.063 1045 S CB 0.603 63.753 63.200 -0.083 0.000 0.831 1045 S HN 0.300 nan 8.310 nan 0.000 0.499 1046 P HA -0.118 nan 4.420 nan 0.000 0.202 1046 P C -0.018 177.160 177.300 -0.204 0.000 1.121 1046 P CA 1.168 64.005 63.100 -0.438 0.000 0.939 1046 P CB 0.012 31.013 31.700 -1.165 0.000 0.761 1047 F N 0.202 120.309 119.950 0.262 0.000 2.423 1047 F HA 0.329 4.860 4.527 0.006 0.000 0.356 1047 F C 0.893 176.834 175.800 0.236 0.000 1.170 1047 F CA -0.355 57.778 58.000 0.221 0.000 1.163 1047 F CB -0.665 38.432 39.000 0.161 0.000 1.318 1047 F HN -0.021 nan 8.300 nan 0.000 0.569 1048 T N -2.334 112.428 114.554 0.347 0.000 2.762 1048 T HA 0.255 4.608 4.350 0.006 0.000 0.301 1048 T C -0.388 174.454 174.700 0.236 0.000 1.299 1048 T CA -1.033 61.235 62.100 0.280 0.000 1.005 1048 T CB 1.858 70.879 68.868 0.256 0.000 1.377 1048 T HN 0.171 nan 8.240 nan 0.000 0.504 1049 D N 0.637 121.150 120.400 0.188 0.000 2.538 1049 D HA 0.314 4.957 4.640 0.006 0.000 0.234 1049 D C -0.110 176.275 176.300 0.142 0.000 1.191 1049 D CA -0.018 54.073 54.000 0.152 0.000 0.828 1049 D CB -0.223 40.648 40.800 0.119 0.000 0.981 1049 D HN 0.461 nan 8.370 nan 0.000 0.490 1050 I N 0.742 121.415 120.570 0.172 0.000 2.371 1050 I HA 0.094 4.268 4.170 0.006 0.000 0.290 1050 I C 0.265 176.432 176.117 0.084 0.000 1.028 1050 I CA 0.400 61.784 61.300 0.140 0.000 1.345 1050 I CB 1.075 39.195 38.000 0.200 0.000 1.407 1050 I HN -0.256 nan 8.210 nan 0.000 0.501 1051 T N 4.931 119.506 114.554 0.034 0.000 2.916 1051 T HA 0.146 4.499 4.350 0.006 0.000 0.298 1051 T C 1.020 175.703 174.700 -0.029 0.000 1.031 1051 T CA -0.568 61.540 62.100 0.013 0.000 0.993 1051 T CB 2.268 71.170 68.868 0.056 0.000 1.045 1051 T HN 0.226 nan 8.240 nan 0.000 0.454 1052 V N 2.034 121.908 119.914 -0.066 0.000 2.428 1052 V HA -0.198 3.925 4.120 0.006 0.000 0.255 1052 V C 2.500 178.597 176.094 0.004 0.000 1.080 1052 V CA 1.843 64.111 62.300 -0.053 0.000 1.083 1052 V CB -0.396 31.404 31.823 -0.039 0.000 0.665 1052 V HN 0.784 nan 8.190 nan 0.000 0.461 1053 E N 0.354 120.567 120.200 0.022 0.000 2.031 1053 E HA -0.146 4.207 4.350 0.006 0.000 0.193 1053 E C 2.377 179.002 176.600 0.041 0.000 0.994 1053 E CA 1.566 57.988 56.400 0.038 0.000 0.800 1053 E CB -0.825 28.900 29.700 0.041 0.000 0.752 1053 E HN 0.609 nan 8.360 nan 0.000 0.447 1054 G N 1.035 109.859 108.800 0.040 0.000 2.471 1054 G HA2 -0.170 3.794 3.960 0.006 0.000 0.219 1054 G HA3 -0.170 3.794 3.960 0.006 0.000 0.219 1054 G C 1.521 176.448 174.900 0.046 0.000 1.125 1054 G CA 0.204 45.332 45.100 0.046 0.000 0.775 1054 G HN 0.112 nan 8.290 nan 0.000 0.548 1055 I N 1.672 122.261 120.570 0.032 0.000 2.233 1055 I HA -0.076 4.097 4.170 0.006 0.000 0.243 1055 I C 2.861 179.004 176.117 0.043 0.000 1.093 1055 I CA 0.982 62.300 61.300 0.029 0.000 1.380 1055 I CB -1.121 36.880 38.000 0.002 0.000 1.067 1055 I HN 0.094 nan 8.210 nan 0.000 0.413 1056 S N 0.794 116.523 115.700 0.050 0.000 2.370 1056 S HA -0.206 4.268 4.470 0.006 0.000 0.226 1056 S C 1.943 176.589 174.600 0.077 0.000 1.033 1056 S CA 1.261 59.502 58.200 0.069 0.000 1.011 1056 S CB -0.228 63.017 63.200 0.075 0.000 0.852 1056 S HN 0.390 nan 8.310 nan 0.000 0.457 1057 K N 1.062 121.503 120.400 0.068 0.000 2.020 1057 K HA -0.066 4.257 4.320 0.006 0.000 0.212 1057 K C 2.013 178.667 176.600 0.090 0.000 1.050 1057 K CA 1.289 57.618 56.287 0.070 0.000 0.929 1057 K CB -0.453 32.083 32.500 0.060 0.000 0.714 1057 K HN 0.246 nan 8.250 nan 0.000 0.443 1058 L N 0.462 121.742 121.223 0.096 0.000 2.079 1058 L HA -0.211 4.132 4.340 0.006 0.000 0.210 1058 L C 2.340 179.333 176.870 0.206 0.000 1.081 1058 L CA 0.575 55.498 54.840 0.139 0.000 0.752 1058 L CB -0.338 41.785 42.059 0.106 0.000 0.896 1058 L HN 0.204 nan 8.230 nan 0.000 0.433 1059 L N -0.024 121.285 121.223 0.143 0.000 2.044 1059 L HA -0.161 4.183 4.340 0.006 0.000 0.205 1059 L C 2.636 179.636 176.870 0.215 0.000 1.075 1059 L CA 1.624 56.564 54.840 0.168 0.000 0.747 1059 L CB -0.536 41.581 42.059 0.096 0.000 0.903 1059 L HN 0.082 nan 8.230 nan 0.000 0.435 1060 R N 0.161 120.752 120.500 0.152 0.000 2.189 1060 R HA -0.120 4.223 4.340 0.006 0.000 0.223 1060 R C 2.002 178.364 176.300 0.104 0.000 1.092 1060 R CA 1.440 57.615 56.100 0.126 0.000 0.989 1060 R CB -0.349 30.006 30.300 0.092 0.000 0.876 1060 R HN 0.563 nan 8.270 nan 0.000 0.457 1061 E N -1.020 119.244 120.200 0.106 0.000 2.077 1061 E HA -0.170 4.184 4.350 0.006 0.000 0.193 1061 E C 1.494 178.099 176.600 0.008 0.000 0.989 1061 E CA 1.106 57.530 56.400 0.041 0.000 0.800 1061 E CB -0.157 29.557 29.700 0.024 0.000 0.746 1061 E HN 0.547 nan 8.360 nan 0.000 0.452 1062 H N -1.344 117.774 119.070 0.080 0.000 2.555 1062 H HA 0.028 4.588 4.556 0.006 0.000 0.269 1062 H C 1.456 176.844 175.328 0.099 0.000 0.988 1062 H CA 1.038 57.150 56.048 0.108 0.000 1.178 1062 H CB 0.950 30.806 29.762 0.157 0.000 1.373 1062 H HN 0.409 nan 8.280 nan 0.000 0.588 1063 G N -0.112 108.777 108.800 0.147 0.000 2.561 1063 G HA2 -0.230 3.734 3.960 0.006 0.000 0.203 1063 G HA3 -0.230 3.734 3.960 0.006 0.000 0.203 1063 G C -0.268 174.592 174.900 -0.066 0.000 1.101 1063 G CA -0.230 44.856 45.100 -0.022 0.000 0.711 1063 G HN 0.273 nan 8.290 nan 0.000 0.511 1064 Y N 2.310 122.661 120.300 0.085 0.000 2.330 1064 Y HA 0.479 5.032 4.550 0.006 0.000 0.341 1064 Y C 1.043 176.986 175.900 0.073 0.000 1.278 1064 Y CA 0.237 58.381 58.100 0.074 0.000 1.453 1064 Y CB 0.360 38.858 38.460 0.064 0.000 1.342 1064 Y HN 0.524 nan 8.280 nan 0.000 0.590 1065 Q N 0.278 120.222 119.800 0.240 0.000 2.304 1065 Q HA 0.179 4.522 4.340 0.006 0.000 0.260 1065 Q C 0.942 177.052 176.000 0.184 0.000 0.965 1065 Q CA 0.226 56.135 55.803 0.177 0.000 0.898 1065 Q CB 1.389 30.218 28.738 0.153 0.000 1.196 1065 Q HN 0.738 nan 8.270 nan 0.000 0.402 1066 S N 3.596 119.386 115.700 0.149 0.000 2.409 1066 S HA -0.273 4.201 4.470 0.006 0.000 0.237 1066 S C 1.109 175.806 174.600 0.161 0.000 1.060 1066 S CA 1.421 59.702 58.200 0.136 0.000 1.052 1066 S CB -0.318 62.948 63.200 0.110 0.000 0.871 1066 S HN 0.735 nan 8.310 nan 0.000 0.465 1067 R N 1.309 121.959 120.500 0.250 0.000 2.426 1067 R HA 0.377 4.720 4.340 0.006 0.000 0.263 1067 R C 1.635 178.139 176.300 0.340 0.000 0.961 1067 R CA 0.403 56.714 56.100 0.351 0.000 1.086 1067 R CB -0.779 29.797 30.300 0.459 0.000 1.186 1067 R HN 0.707 nan 8.270 nan 0.000 0.537 1068 G N 0.424 109.257 108.800 0.056 0.000 2.217 1068 G HA2 -0.282 3.682 3.960 0.006 0.000 0.246 1068 G HA3 -0.282 3.682 3.960 0.006 0.000 0.246 1068 G C 0.053 174.719 174.900 -0.391 0.000 0.990 1068 G CA -0.350 44.461 45.100 -0.482 0.000 0.627 1068 G HN 0.253 nan 8.290 nan 0.000 0.522 1069 F N 0.985 120.937 119.950 0.004 0.000 2.410 1069 F HA 0.680 5.211 4.527 0.006 0.000 0.334 1069 F C 0.837 176.676 175.800 0.064 0.000 1.134 1069 F CA 0.056 58.092 58.000 0.061 0.000 1.227 1069 F CB 1.115 40.172 39.000 0.094 0.000 1.194 1069 F HN 0.104 nan 8.300 nan 0.000 0.571 1070 E N 0.554 120.900 120.200 0.244 0.000 2.343 1070 E HA 0.313 4.666 4.350 0.006 0.000 0.288 1070 E C -1.700 174.946 176.600 0.077 0.000 0.907 1070 E CA -0.532 55.966 56.400 0.163 0.000 0.792 1070 E CB 1.771 31.563 29.700 0.152 0.000 1.275 1070 E HN 0.326 nan 8.360 nan 0.000 0.402 1071 V N 5.418 125.368 119.914 0.060 0.000 2.458 1071 V HA 0.076 4.200 4.120 0.006 0.000 0.287 1071 V C 0.479 176.535 176.094 -0.063 0.000 1.009 1071 V CA 0.897 63.181 62.300 -0.027 0.000 1.091 1071 V CB 0.146 31.944 31.823 -0.043 0.000 0.960 1071 V HN 0.715 nan 8.190 nan 0.000 0.476 1072 M N 4.612 124.112 119.600 -0.165 0.000 2.705 1072 M HA 0.573 5.057 4.480 0.006 0.000 0.311 1072 M C -1.284 174.797 176.300 -0.366 0.000 1.214 1072 M CA -0.631 54.560 55.300 -0.181 0.000 0.920 1072 M CB 2.313 34.766 32.600 -0.244 0.000 1.687 1072 M HN 0.495 nan 8.290 nan 0.000 0.481 1073 Y N 0.196 120.124 120.300 -0.620 0.000 2.387 1073 Y HA 0.327 4.881 4.550 0.006 0.000 0.336 1073 Y C 0.273 175.820 175.900 -0.588 0.000 1.067 1073 Y CA -1.393 56.281 58.100 -0.710 0.000 1.114 1073 Y CB 0.584 38.390 38.460 -1.090 0.000 1.208 1073 Y HN 0.512 nan 8.280 nan 0.000 0.458 1074 N N 1.265 119.896 118.700 -0.115 0.000 2.442 1074 N HA 0.027 4.770 4.740 0.006 0.000 0.265 1074 N C 1.019 176.652 175.510 0.205 0.000 1.138 1074 N CA 0.545 53.632 53.050 0.062 0.000 0.956 1074 N CB 1.546 40.042 38.487 0.014 0.000 1.067 1074 N HN 1.025 nan 8.380 nan 0.000 0.474 1075 G N 3.068 112.086 108.800 0.364 0.000 2.422 1075 G HA2 -0.240 3.724 3.960 0.006 0.000 0.218 1075 G HA3 -0.240 3.724 3.960 0.006 0.000 0.218 1075 G C 1.092 176.241 174.900 0.415 0.000 1.146 1075 G CA 0.747 46.144 45.100 0.496 0.000 0.769 1075 G HN 0.690 nan 8.290 nan 0.000 0.547 1076 H N -0.217 118.943 119.070 0.149 0.000 2.251 1076 H HA -0.051 4.508 4.556 0.006 0.000 0.294 1076 H C 2.674 178.049 175.328 0.079 0.000 1.078 1076 H CA 1.906 57.998 56.048 0.073 0.000 1.246 1076 H CB -0.675 29.091 29.762 0.007 0.000 1.358 1076 H HN 0.331 nan 8.280 nan 0.000 0.488 1077 T N -2.154 112.535 114.554 0.224 0.000 3.015 1077 T HA 0.272 4.625 4.350 0.006 0.000 0.250 1077 T C 1.573 176.361 174.700 0.146 0.000 1.057 1077 T CA 1.004 63.189 62.100 0.141 0.000 1.066 1077 T CB -0.233 68.688 68.868 0.089 0.000 0.959 1077 T HN 0.688 nan 8.240 nan 0.000 0.488 1078 G N 1.547 110.467 108.800 0.200 0.000 2.268 1078 G HA2 -0.239 3.725 3.960 0.006 0.000 0.240 1078 G HA3 -0.239 3.725 3.960 0.006 0.000 0.240 1078 G C 0.202 175.216 174.900 0.190 0.000 1.010 1078 G CA 0.395 45.640 45.100 0.241 0.000 0.618 1078 G HN 0.648 nan 8.290 nan 0.000 0.516 1079 K N 1.646 122.103 120.400 0.095 0.000 2.412 1079 K HA 0.348 4.672 4.320 0.006 0.000 0.281 1079 K C 0.541 177.100 176.600 -0.069 0.000 1.027 1079 K CA -0.285 56.019 56.287 0.028 0.000 0.989 1079 K CB 0.208 32.707 32.500 -0.003 0.000 0.935 1079 K HN 0.277 nan 8.250 nan 0.000 0.475 1080 K N 3.881 124.165 120.400 -0.193 0.000 2.491 1080 K HA -0.049 4.274 4.320 0.006 0.000 0.279 1080 K C -0.123 176.305 176.600 -0.286 0.000 1.026 1080 K CA 0.065 56.064 56.287 -0.481 0.000 1.070 1080 K CB 0.190 32.366 32.500 -0.541 0.000 0.887 1080 K HN 0.464 nan 8.250 nan 0.000 0.481 1081 L N 4.023 125.077 121.223 -0.281 0.000 2.578 1081 L HA -0.129 4.214 4.340 0.006 0.000 0.279 1081 L C 1.786 178.567 176.870 -0.149 0.000 1.227 1081 L CA -0.198 54.540 54.840 -0.169 0.000 0.900 1081 L CB 0.221 42.202 42.059 -0.130 0.000 1.144 1081 L HN 0.714 nan 8.230 nan 0.000 0.496 1082 M N 2.896 122.435 119.600 -0.101 0.000 2.117 1082 M HA -0.040 4.444 4.480 0.006 0.000 0.262 1082 M C 0.833 177.094 176.300 -0.065 0.000 1.065 1082 M CA 1.247 56.498 55.300 -0.081 0.000 1.114 1082 M CB -0.753 31.811 32.600 -0.060 0.000 1.361 1082 M HN 0.669 nan 8.290 nan 0.000 0.408 1083 A N 0.642 123.436 122.820 -0.043 0.000 2.301 1083 A HA 0.506 4.830 4.320 0.006 0.000 0.312 1083 A C -0.291 177.300 177.584 0.013 0.000 1.182 1083 A CA -0.630 51.401 52.037 -0.010 0.000 0.826 1083 A CB 0.402 19.411 19.000 0.016 0.000 1.134 1083 A HN 0.445 nan 8.150 nan 0.000 0.501 1084 Q N 0.434 120.267 119.800 0.054 0.000 2.312 1084 Q HA 0.651 4.995 4.340 0.006 0.000 0.236 1084 Q C -0.720 175.457 176.000 0.295 0.000 0.965 1084 Q CA 0.238 56.120 55.803 0.130 0.000 0.894 1084 Q CB 1.026 29.852 28.738 0.146 0.000 1.225 1084 Q HN 0.650 nan 8.270 nan 0.000 0.478 1085 I N 0.692 121.401 120.570 0.233 0.000 2.562 1085 I HA 0.349 4.523 4.170 0.006 0.000 0.301 1085 I C -0.904 175.250 176.117 0.061 0.000 1.003 1085 I CA -0.920 60.468 61.300 0.147 0.000 1.127 1085 I CB 1.187 39.203 38.000 0.026 0.000 1.304 1085 I HN 0.498 nan 8.210 nan 0.000 0.446 1086 F N 6.190 125.998 119.950 -0.237 0.000 2.411 1086 F HA 0.530 5.060 4.527 0.006 0.000 0.350 1086 F C -0.952 174.853 175.800 0.008 0.000 1.114 1086 F CA -0.069 57.720 58.000 -0.351 0.000 1.135 1086 F CB 0.595 39.286 39.000 -0.515 0.000 1.120 1086 F HN 0.248 nan 8.300 nan 0.000 0.495 1087 F N 3.775 123.464 119.950 -0.435 0.000 2.643 1087 F HA 0.824 5.355 4.527 0.006 0.000 0.314 1087 F C -0.335 175.251 175.800 -0.357 0.000 1.096 1087 F CA -0.529 57.331 58.000 -0.232 0.000 0.953 1087 F CB 2.069 40.978 39.000 -0.152 0.000 1.345 1087 F HN 0.736 nan 8.300 nan 0.000 0.468 1088 G N 2.367 110.758 108.800 -0.681 0.000 2.316 1088 G HA2 0.248 4.212 3.960 0.006 0.000 0.468 1088 G HA3 0.248 4.212 3.960 0.006 0.000 0.468 1088 G C -3.445 171.244 174.900 -0.352 0.000 1.523 1088 G CA -1.169 43.623 45.100 -0.513 0.000 0.972 1088 G HN 0.423 nan 8.290 nan 0.000 0.667 1089 P HA 0.396 nan 4.420 nan 0.000 0.265 1089 P C -0.240 177.049 177.300 -0.019 0.000 1.193 1089 P CA 0.447 63.467 63.100 -0.133 0.000 0.765 1089 P CB 0.859 32.495 31.700 -0.105 0.000 0.823 1090 T N 2.256 116.856 114.554 0.076 0.000 3.109 1090 T HA 0.169 4.522 4.350 0.006 0.000 0.311 1090 T C -1.076 173.826 174.700 0.337 0.000 1.011 1090 T CA -0.428 61.785 62.100 0.188 0.000 1.026 1090 T CB 0.275 69.279 68.868 0.226 0.000 1.047 1090 T HN 0.158 nan 8.240 nan 0.000 0.448 1091 Y N 3.437 123.827 120.300 0.150 0.000 2.745 1091 Y HA 0.273 4.827 4.550 0.006 0.000 0.335 1091 Y C -0.732 175.306 175.900 0.231 0.000 1.212 1091 Y CA 0.321 58.528 58.100 0.178 0.000 1.535 1091 Y CB -0.029 38.484 38.460 0.088 0.000 1.220 1091 Y HN 0.598 nan 8.280 nan 0.000 0.531 1092 Y N 3.554 123.827 120.300 -0.045 0.000 2.567 1092 Y HA 0.450 5.004 4.550 0.006 0.000 0.333 1092 Y C -0.326 175.569 175.900 -0.007 0.000 1.106 1092 Y CA -0.940 57.207 58.100 0.078 0.000 1.157 1092 Y CB 1.698 40.280 38.460 0.203 0.000 1.277 1092 Y HN 0.442 nan 8.280 nan 0.000 0.490 1093 Q N 1.677 121.539 119.800 0.104 0.000 2.365 1093 Q HA 0.463 4.807 4.340 0.006 0.000 0.269 1093 Q C -1.172 174.744 176.000 -0.140 0.000 1.061 1093 Q CA -1.201 54.623 55.803 0.035 0.000 0.816 1093 Q CB 2.874 31.624 28.738 0.020 0.000 1.325 1093 Q HN 0.478 nan 8.270 nan 0.000 0.446 1094 R N 2.716 123.066 120.500 -0.251 0.000 2.265 1094 R HA 0.445 4.788 4.340 0.006 0.000 0.319 1094 R C -0.947 175.090 176.300 -0.438 0.000 1.006 1094 R CA -0.191 55.465 56.100 -0.739 0.000 0.880 1094 R CB 0.448 30.417 30.300 -0.552 0.000 1.077 1094 R HN 0.529 nan 8.270 nan 0.000 0.454 1095 L N 3.873 124.801 121.223 -0.491 0.000 2.358 1095 L HA 0.577 4.920 4.340 0.006 0.000 0.268 1095 L C 0.859 177.539 176.870 -0.316 0.000 1.032 1095 L CA -1.381 53.295 54.840 -0.274 0.000 0.805 1095 L CB 1.077 42.998 42.059 -0.229 0.000 1.253 1095 L HN 0.718 nan 8.230 nan 0.000 0.452 1096 R N -0.201 120.100 120.500 -0.331 0.000 3.255 1096 R HA 0.065 4.409 4.340 0.006 0.000 0.268 1096 R C -0.408 175.418 176.300 -0.789 0.000 1.121 1096 R CA -0.163 55.665 56.100 -0.453 0.000 1.133 1096 R CB -0.350 29.597 30.300 -0.588 0.000 1.038 1096 R HN 0.874 nan 8.270 nan 0.000 0.523 1097 H N -1.898 117.106 119.070 -0.111 0.000 2.861 1097 H HA -0.155 4.405 4.556 0.006 0.000 0.319 1097 H C -1.136 174.140 175.328 -0.087 0.000 0.994 1097 H CA 0.853 56.842 56.048 -0.099 0.000 1.032 1097 H CB -1.765 27.944 29.762 -0.089 0.000 1.615 1097 H HN 0.487 nan 8.280 nan 0.000 0.357 1098 M N 1.600 121.181 119.600 -0.032 0.000 2.654 1098 M HA 0.305 4.789 4.480 0.006 0.000 0.310 1098 M C 1.906 178.199 176.300 -0.011 0.000 1.211 1098 M CA -0.977 54.307 55.300 -0.026 0.000 0.947 1098 M CB 1.732 34.294 32.600 -0.062 0.000 1.647 1098 M HN 0.093 nan 8.290 nan 0.000 0.481 1099 V N -0.253 119.663 119.914 0.003 0.000 2.332 1099 V HA -0.244 3.880 4.120 0.006 0.000 0.248 1099 V C 1.278 177.369 176.094 -0.006 0.000 1.055 1099 V CA 1.900 64.204 62.300 0.006 0.000 1.038 1099 V CB -0.768 31.062 31.823 0.011 0.000 0.651 1099 V HN 0.847 nan 8.190 nan 0.000 0.450 1100 D N -0.100 120.286 120.400 -0.024 0.000 2.310 1100 D HA -0.103 4.541 4.640 0.006 0.000 0.212 1100 D C 1.836 178.109 176.300 -0.044 0.000 0.965 1100 D CA 0.855 54.836 54.000 -0.032 0.000 0.879 1100 D CB -0.234 40.538 40.800 -0.046 0.000 0.921 1100 D HN 0.460 nan 8.370 nan 0.000 0.510 1101 D N -0.240 120.124 120.400 -0.060 0.000 2.234 1101 D HA -0.048 4.596 4.640 0.006 0.000 0.205 1101 D C 1.879 178.162 176.300 -0.028 0.000 0.962 1101 D CA 0.566 54.526 54.000 -0.066 0.000 0.855 1101 D CB 0.372 41.113 40.800 -0.100 0.000 0.951 1101 D HN 0.113 nan 8.370 nan 0.000 0.500 1102 K N 0.497 120.892 120.400 -0.008 0.000 2.128 1102 K HA 0.136 4.459 4.320 0.006 0.000 0.202 1102 K C 1.219 177.840 176.600 0.034 0.000 1.050 1102 K CA -0.098 56.193 56.287 0.007 0.000 0.966 1102 K CB 0.254 32.759 32.500 0.009 0.000 0.759 1102 K HN 0.169 nan 8.250 nan 0.000 0.454 1103 I N 2.400 122.993 120.570 0.038 0.000 2.845 1103 I HA -0.176 3.998 4.170 0.006 0.000 0.296 1103 I C 0.138 176.332 176.117 0.129 0.000 1.216 1103 I CA 0.691 62.027 61.300 0.060 0.000 1.438 1103 I CB -0.070 37.952 38.000 0.036 0.000 1.342 1103 I HN 0.224 nan 8.210 nan 0.000 0.577 1104 H N 5.200 124.270 119.070 -0.000 0.000 3.038 1104 H HA 0.754 5.314 4.556 0.005 0.000 0.362 1104 H C -1.584 173.748 175.328 0.008 0.000 1.167 1104 H CA -0.559 55.490 56.048 0.003 0.000 1.197 1104 H CB 1.644 31.408 29.762 0.003 0.000 1.840 1104 H HN 0.657 nan 8.280 nan 0.000 0.540 1105 A N 4.198 126.682 122.820 -0.559 0.000 2.515 1105 A HA 0.763 5.087 4.320 0.006 0.000 0.298 1105 A C -1.222 176.064 177.584 -0.496 0.000 1.059 1105 A CA -0.765 50.984 52.037 -0.479 0.000 0.698 1105 A CB 1.741 20.628 19.000 -0.188 0.000 1.289 1105 A HN 0.828 nan 8.150 nan 0.000 0.404 1106 R N 0.610 120.919 120.500 -0.318 0.000 2.673 1106 R HA 0.769 5.112 4.340 0.006 0.000 0.281 1106 R C -1.371 174.881 176.300 -0.080 0.000 0.991 1106 R CA 0.110 56.113 56.100 -0.162 0.000 0.896 1106 R CB 2.050 32.292 30.300 -0.098 0.000 1.201 1106 R HN 1.596 nan 8.270 nan 0.000 0.457 1107 A N 4.113 126.905 122.820 -0.047 0.000 2.768 1107 A HA 0.460 4.783 4.320 0.006 0.000 0.298 1107 A C -0.861 176.710 177.584 -0.021 0.000 1.159 1107 A CA -0.416 51.602 52.037 -0.032 0.000 0.783 1107 A CB 0.498 19.479 19.000 -0.032 0.000 1.333 1107 A HN 0.967 nan 8.150 nan 0.000 0.412 1108 R N 0.592 121.083 120.500 -0.015 0.000 2.022 1108 R HA -0.107 4.237 4.340 0.006 0.000 0.372 1108 R C 0.160 176.459 176.300 -0.002 0.000 1.161 1108 R CA 1.002 57.096 56.100 -0.009 0.000 0.928 1108 R CB -1.143 29.150 30.300 -0.011 0.000 2.817 1108 R HN 1.817 nan 8.270 nan 0.000 0.489 1109 G N 3.681 112.486 108.800 0.008 0.000 3.247 1109 G HA2 0.713 4.676 3.960 0.006 0.000 0.199 1109 G HA3 0.713 4.676 3.960 0.006 0.000 0.199 1109 G C -2.638 172.273 174.900 0.019 0.000 1.172 1109 G CA -0.572 44.538 45.100 0.018 0.000 0.844 1109 G HN 0.444 nan 8.290 nan 0.000 0.619 1110 P HA 0.346 nan 4.420 nan 0.000 0.281 1110 P C -0.539 176.770 177.300 0.014 0.000 1.252 1110 P CA -0.132 62.983 63.100 0.024 0.000 0.778 1110 P CB 1.189 32.910 31.700 0.036 0.000 0.895 1111 M N 1.573 121.172 119.600 -0.001 0.000 2.283 1111 M HA 0.276 4.760 4.480 0.006 0.000 0.314 1111 M C 0.927 177.217 176.300 -0.016 0.000 1.153 1111 M CA -0.630 54.660 55.300 -0.016 0.000 1.084 1111 M CB -0.019 32.553 32.600 -0.045 0.000 1.468 1111 M HN 0.406 nan 8.290 nan 0.000 0.474 1112 Q N -0.190 119.598 119.800 -0.020 0.000 2.396 1112 Q HA 0.241 4.585 4.340 0.006 0.000 0.221 1112 Q C 1.001 176.976 176.000 -0.042 0.000 1.025 1112 Q CA -0.468 55.325 55.803 -0.017 0.000 0.946 1112 Q CB 1.017 29.752 28.738 -0.004 0.000 1.224 1112 Q HN 0.532 nan 8.270 nan 0.000 0.539 1113 V N 0.365 120.261 119.914 -0.029 0.000 2.492 1113 V HA -0.123 4.001 4.120 0.006 0.000 0.241 1113 V C 1.697 177.765 176.094 -0.043 0.000 1.041 1113 V CA 0.845 63.118 62.300 -0.044 0.000 1.057 1113 V CB -0.503 31.308 31.823 -0.019 0.000 0.711 1113 V HN 0.653 nan 8.190 nan 0.000 0.468 1114 L N 1.014 122.239 121.223 0.004 0.000 2.179 1114 L HA -0.002 4.342 4.340 0.006 0.000 0.208 1114 L C 2.050 178.997 176.870 0.128 0.000 1.096 1114 L CA 2.485 57.359 54.840 0.056 0.000 0.779 1114 L CB -0.664 41.422 42.059 0.045 0.000 0.922 1114 L HN 0.432 nan 8.230 nan 0.000 0.443 1115 T N -2.338 112.262 114.554 0.077 0.000 3.000 1115 T HA 0.202 4.555 4.350 0.006 0.000 0.248 1115 T C 0.666 175.423 174.700 0.095 0.000 1.034 1115 T CA -0.081 62.099 62.100 0.134 0.000 1.060 1115 T CB 0.040 68.947 68.868 0.065 0.000 0.983 1115 T HN 0.275 nan 8.240 nan 0.000 0.482 1116 R N 1.375 121.814 120.500 -0.102 0.000 3.531 1116 R HA -0.132 4.211 4.340 0.006 0.000 0.280 1116 R C -0.636 175.624 176.300 -0.068 0.000 1.130 1116 R CA 0.444 56.424 56.100 -0.200 0.000 0.757 1116 R CB -2.100 27.889 30.300 -0.519 0.000 1.218 1116 R HN 0.577 nan 8.270 nan 0.000 0.454 1117 Q N 0.002 119.790 119.800 -0.020 0.000 2.297 1117 Q HA 0.451 4.795 4.340 0.006 0.000 0.268 1117 Q C -2.353 173.649 176.000 0.003 0.000 1.045 1117 Q CA -2.300 53.505 55.803 0.003 0.000 0.861 1117 Q CB 1.477 30.229 28.738 0.023 0.000 1.344 1117 Q HN -0.145 nan 8.270 nan 0.000 0.452 1118 P HA -0.126 nan 4.420 nan 0.000 0.268 1118 P C -0.879 176.438 177.300 0.028 0.000 1.189 1118 P CA 0.207 63.322 63.100 0.025 0.000 0.771 1118 P CB 0.283 32.005 31.700 0.037 0.000 0.822 1119 V N -0.701 119.233 119.914 0.033 0.000 2.427 1119 V HA 0.396 4.520 4.120 0.006 0.000 0.286 1119 V C 0.210 176.317 176.094 0.021 0.000 1.034 1119 V CA -0.970 61.345 62.300 0.025 0.000 0.893 1119 V CB 1.156 32.992 31.823 0.021 0.000 0.982 1119 V HN 0.452 nan 8.190 nan 0.000 0.452 1120 E N 2.854 123.061 120.200 0.011 0.000 2.413 1120 E HA 0.462 4.816 4.350 0.006 0.000 0.263 1120 E C 0.463 177.048 176.600 -0.026 0.000 1.015 1120 E CA 0.991 57.389 56.400 -0.002 0.000 0.916 1120 E CB 0.559 30.258 29.700 -0.002 0.000 0.947 1120 E HN 1.753 nan 8.360 nan 0.000 0.440 1121 G N 2.762 111.527 108.800 -0.060 0.000 2.895 1121 G HA2 -0.220 3.743 3.960 0.006 0.000 0.686 1121 G HA3 -0.220 3.743 3.960 0.006 0.000 0.686 1121 G C 0.173 174.952 174.900 -0.203 0.000 1.108 1121 G CA -0.008 45.028 45.100 -0.107 0.000 0.761 1121 G HN 0.738 nan 8.290 nan 0.000 0.611 1122 R N 0.294 120.592 120.500 -0.336 0.000 2.297 1122 R HA 0.172 4.515 4.340 0.006 0.000 0.197 1122 R C 2.366 178.531 176.300 -0.224 0.000 0.943 1122 R CA 1.577 57.323 56.100 -0.589 0.000 1.038 1122 R CB -0.153 29.704 30.300 -0.739 0.000 0.957 1122 R HN 0.844 nan 8.270 nan 0.000 0.484 1123 S N 1.407 117.033 115.700 -0.124 0.000 2.383 1123 S HA -0.124 4.349 4.470 0.006 0.000 0.227 1123 S C 0.756 175.351 174.600 -0.008 0.000 1.026 1123 S CA 0.534 58.708 58.200 -0.044 0.000 0.981 1123 S CB -0.135 63.048 63.200 -0.029 0.000 0.818 1123 S HN 0.488 nan 8.310 nan 0.000 0.472 1124 R N 1.237 121.730 120.500 -0.012 0.000 2.868 1124 R HA 0.519 4.862 4.340 0.006 0.000 0.289 1124 R C -0.918 175.404 176.300 0.036 0.000 1.443 1124 R CA -0.387 55.726 56.100 0.023 0.000 1.651 1124 R CB -1.392 28.926 30.300 0.030 0.000 1.242 1124 R HN 0.073 nan 8.270 nan 0.000 0.621 1125 D N 0.715 121.153 120.400 0.062 0.000 2.886 1125 D HA -0.174 4.470 4.640 0.006 0.000 0.221 1125 D C 0.391 176.792 176.300 0.169 0.000 1.227 1125 D CA 1.544 55.646 54.000 0.169 0.000 0.746 1125 D CB -0.531 40.342 40.800 0.121 0.000 0.935 1125 D HN 0.702 nan 8.370 nan 0.000 0.399 1126 G N 0.202 109.086 108.800 0.141 0.000 2.531 1126 G HA2 0.724 4.688 3.960 0.006 0.000 0.253 1126 G HA3 0.724 4.688 3.960 0.006 0.000 0.253 1126 G C 0.344 175.397 174.900 0.255 0.000 1.439 1126 G CA -0.158 45.017 45.100 0.125 0.000 1.056 1126 G HN 0.655 nan 8.290 nan 0.000 0.555 1127 G N -1.411 107.493 108.800 0.174 0.000 2.719 1127 G HA2 0.515 4.479 3.960 0.006 0.000 0.298 1127 G HA3 0.515 4.479 3.960 0.006 0.000 0.298 1127 G C -0.877 174.098 174.900 0.125 0.000 1.411 1127 G CA -0.765 44.427 45.100 0.153 0.000 0.991 1127 G HN 0.536 nan 8.290 nan 0.000 0.509 1128 L N 1.005 122.304 121.223 0.127 0.000 2.397 1128 L HA 0.430 4.774 4.340 0.006 0.000 0.271 1128 L C 1.102 178.036 176.870 0.106 0.000 1.148 1128 L CA -0.686 54.221 54.840 0.111 0.000 0.825 1128 L CB 0.992 43.117 42.059 0.110 0.000 1.117 1128 L HN 0.497 nan 8.230 nan 0.000 0.456 1129 R N 2.286 122.836 120.500 0.084 0.000 2.248 1129 R HA 0.123 4.467 4.340 0.006 0.000 0.328 1129 R C -0.721 175.644 176.300 0.108 0.000 1.067 1129 R CA -0.260 55.894 56.100 0.089 0.000 0.924 1129 R CB 0.270 30.600 30.300 0.050 0.000 1.013 1129 R HN 0.431 nan 8.270 nan 0.000 0.454 1130 F N 5.568 125.530 119.950 0.020 0.000 2.499 1130 F HA 0.350 4.881 4.527 0.006 0.000 0.353 1130 F C 0.639 176.453 175.800 0.023 0.000 1.196 1130 F CA -0.119 57.898 58.000 0.027 0.000 1.244 1130 F CB 0.221 39.233 39.000 0.019 0.000 1.577 1130 F HN 0.672 nan 8.300 nan 0.000 0.614 1131 G N 3.102 111.878 108.800 -0.040 0.000 2.553 1131 G HA2 0.077 4.041 3.960 0.006 0.000 0.278 1131 G HA3 0.077 4.041 3.960 0.006 0.000 0.278 1131 G C 0.594 175.486 174.900 -0.013 0.000 1.349 1131 G CA -0.360 44.739 45.100 -0.002 0.000 1.037 1131 G HN 0.662 nan 8.290 nan 0.000 0.508 1132 E N -0.861 119.344 120.200 0.007 0.000 2.152 1132 E HA -0.083 4.271 4.350 0.006 0.000 0.192 1132 E C 2.296 178.890 176.600 -0.011 0.000 0.983 1132 E CA 0.610 57.025 56.400 0.026 0.000 0.818 1132 E CB -0.051 29.662 29.700 0.021 0.000 0.758 1132 E HN 0.444 nan 8.360 nan 0.000 0.467 1133 M N 0.748 120.316 119.600 -0.053 0.000 2.175 1133 M HA -0.144 4.339 4.480 0.006 0.000 0.264 1133 M C 1.328 177.557 176.300 -0.117 0.000 1.063 1133 M CA 1.385 56.643 55.300 -0.071 0.000 1.119 1133 M CB 0.280 32.838 32.600 -0.069 0.000 1.377 1133 M HN -0.080 nan 8.290 nan 0.000 0.415 1134 E N -0.430 119.625 120.200 -0.241 0.000 2.152 1134 E HA -0.138 4.216 4.350 0.006 0.000 0.192 1134 E C 1.839 178.284 176.600 -0.259 0.000 0.983 1134 E CA 0.807 56.946 56.400 -0.434 0.000 0.818 1134 E CB -0.448 28.654 29.700 -0.998 0.000 0.758 1134 E HN 0.427 nan 8.360 nan 0.000 0.467 1135 R N 1.045 121.531 120.500 -0.023 0.000 2.075 1135 R HA -0.137 4.207 4.340 0.006 0.000 0.232 1135 R C 0.833 177.237 176.300 0.174 0.000 1.126 1135 R CA 1.510 57.796 56.100 0.309 0.000 0.963 1135 R CB -0.117 30.346 30.300 0.270 0.000 0.858 1135 R HN 0.061 nan 8.270 nan 0.000 0.435 1136 D N 0.149 120.592 120.400 0.071 0.000 2.311 1136 D HA -0.129 4.515 4.640 0.006 0.000 0.212 1136 D C 1.658 177.974 176.300 0.026 0.000 0.972 1136 D CA 0.974 54.998 54.000 0.040 0.000 0.887 1136 D CB -0.093 40.709 40.800 0.005 0.000 0.915 1136 D HN 0.372 nan 8.370 nan 0.000 0.497 1137 C N 0.073 119.395 119.300 0.038 0.000 2.504 1137 C HA 0.101 4.565 4.460 0.006 0.000 0.279 1137 C C 2.445 177.494 174.990 0.098 0.000 1.358 1137 C CA -0.175 58.846 59.018 0.005 0.000 1.747 1137 C CB -0.371 27.373 27.740 0.007 0.000 2.037 1137 C HN 0.283 nan 8.230 nan 0.000 0.503 1138 M N 0.847 120.585 119.600 0.231 0.000 2.394 1138 M HA 0.060 4.544 4.480 0.006 0.000 0.264 1138 M C 1.803 178.221 176.300 0.196 0.000 1.073 1138 M CA 1.160 56.632 55.300 0.287 0.000 1.111 1138 M CB -1.185 31.660 32.600 0.408 0.000 1.401 1138 M HN 0.357 nan 8.290 nan 0.000 0.448 1139 I N 0.299 120.951 120.570 0.137 0.000 2.202 1139 I HA -0.210 3.964 4.170 0.006 0.000 0.242 1139 I C 2.544 178.689 176.117 0.047 0.000 1.091 1139 I CA 1.239 62.591 61.300 0.087 0.000 1.368 1139 I CB -0.524 37.516 38.000 0.066 0.000 1.058 1139 I HN 0.215 nan 8.210 nan 0.000 0.410 1140 A N -0.249 122.566 122.820 -0.008 0.000 1.972 1140 A HA -0.232 4.092 4.320 0.006 0.000 0.219 1140 A C 2.168 179.707 177.584 -0.075 0.000 1.169 1140 A CA 1.517 53.513 52.037 -0.069 0.000 0.635 1140 A CB -0.839 18.077 19.000 -0.140 0.000 0.810 1140 A HN 0.430 nan 8.150 nan 0.000 0.446 1141 H N -0.973 118.103 119.070 0.009 0.000 2.423 1141 H HA 0.061 4.621 4.556 0.006 0.000 0.297 1141 H C 1.827 177.156 175.328 0.001 0.000 1.075 1141 H CA 0.979 57.024 56.048 -0.004 0.000 1.342 1141 H CB -0.268 29.482 29.762 -0.022 0.000 1.395 1141 H HN 0.644 nan 8.280 nan 0.000 0.530 1142 G N 0.069 108.952 108.800 0.139 0.000 2.160 1142 G HA2 -0.218 3.746 3.960 0.006 0.000 0.244 1142 G HA3 -0.218 3.746 3.960 0.006 0.000 0.244 1142 G C 0.277 175.229 174.900 0.085 0.000 1.022 1142 G CA 0.358 45.512 45.100 0.091 0.000 0.741 1142 G HN 0.690 nan 8.290 nan 0.000 0.508 1143 A N -0.195 122.689 122.820 0.107 0.000 2.506 1143 A HA 0.856 5.179 4.320 0.006 0.000 0.320 1143 A C 1.368 179.031 177.584 0.133 0.000 1.424 1143 A CA 0.904 52.994 52.037 0.088 0.000 1.044 1143 A CB 0.419 19.436 19.000 0.027 0.000 1.140 1143 A HN 1.675 nan 8.150 nan 0.000 0.538 1144 A N 2.033 124.912 122.820 0.098 0.000 1.874 1144 A HA 0.014 4.338 4.320 0.006 0.000 0.214 1144 A C 2.405 180.041 177.584 0.087 0.000 1.189 1144 A CA 1.804 53.893 52.037 0.087 0.000 0.615 1144 A CB -0.747 18.287 19.000 0.057 0.000 0.830 1144 A HN 0.894 nan 8.150 nan 0.000 0.443 1145 S N -1.314 114.436 115.700 0.083 0.000 2.368 1145 S HA -0.169 4.305 4.470 0.006 0.000 0.225 1145 S C 1.786 176.426 174.600 0.066 0.000 1.030 1145 S CA 1.614 59.849 58.200 0.058 0.000 0.999 1145 S CB -0.553 62.677 63.200 0.049 0.000 0.844 1145 S HN 0.544 nan 8.310 nan 0.000 0.459 1146 F N 1.715 121.643 119.950 -0.037 0.000 2.216 1146 F HA 0.018 4.548 4.527 0.006 0.000 0.300 1146 F C 1.959 177.698 175.800 -0.102 0.000 1.085 1146 F CA 1.157 59.120 58.000 -0.061 0.000 1.326 1146 F CB -0.192 38.785 39.000 -0.037 0.000 1.027 1146 F HN 0.226 nan 8.300 nan 0.000 0.497 1147 L N 0.787 122.076 121.223 0.110 0.000 2.141 1147 L HA -0.197 4.146 4.340 0.006 0.000 0.209 1147 L C 2.269 179.054 176.870 -0.141 0.000 1.094 1147 L CA 1.815 56.647 54.840 -0.014 0.000 0.763 1147 L CB -0.887 41.231 42.059 0.098 0.000 0.908 1147 L HN 0.290 nan 8.230 nan 0.000 0.437 1148 K N 0.058 120.398 120.400 -0.100 0.000 2.005 1148 K HA -0.221 4.102 4.320 0.006 0.000 0.206 1148 K C 1.909 178.397 176.600 -0.187 0.000 1.044 1148 K CA 1.215 57.438 56.287 -0.107 0.000 0.942 1148 K CB -0.195 32.271 32.500 -0.056 0.000 0.727 1148 K HN 0.228 nan 8.250 nan 0.000 0.439 1149 E N 0.380 120.448 120.200 -0.220 0.000 2.187 1149 E HA -0.227 4.126 4.350 0.006 0.000 0.199 1149 E C 1.808 178.201 176.600 -0.345 0.000 1.004 1149 E CA 1.111 57.359 56.400 -0.254 0.000 0.813 1149 E CB 0.184 29.737 29.700 -0.245 0.000 0.736 1149 E HN 0.186 nan 8.360 nan 0.000 0.468 1150 R N -0.470 119.713 120.500 -0.527 0.000 2.275 1150 R HA 0.000 4.344 4.340 0.006 0.000 0.199 1150 R C 1.097 177.178 176.300 -0.365 0.000 0.989 1150 R CA 0.343 56.104 56.100 -0.565 0.000 1.016 1150 R CB 0.168 29.872 30.300 -0.993 0.000 0.918 1150 R HN 0.159 nan 8.270 nan 0.000 0.473 1151 L N -0.577 120.485 121.223 -0.269 0.000 3.014 1151 L HA 0.250 4.593 4.340 0.006 0.000 0.263 1151 L C 1.075 177.894 176.870 -0.086 0.000 1.207 1151 L CA 0.338 55.086 54.840 -0.153 0.000 1.017 1151 L CB 0.537 42.522 42.059 -0.123 0.000 1.360 1151 L HN -0.035 nan 8.230 nan 0.000 0.560 1152 M N -2.393 117.149 119.600 -0.098 0.000 1.808 1152 M HA 0.162 4.645 4.480 0.006 0.000 0.178 1152 M C 1.357 177.626 176.300 -0.052 0.000 1.561 1152 M CA 0.453 55.724 55.300 -0.048 0.000 0.862 1152 M CB 0.110 32.682 32.600 -0.048 0.000 1.567 1152 M HN -0.116 nan 8.290 nan 0.000 0.599 1153 E N 1.646 121.793 120.200 -0.088 0.000 2.274 1153 E HA 0.221 4.574 4.350 0.006 0.000 0.194 1153 E C 0.593 177.148 176.600 -0.075 0.000 0.996 1153 E CA 0.669 57.021 56.400 -0.079 0.000 0.840 1153 E CB 0.150 29.793 29.700 -0.095 0.000 0.772 1153 E HN 0.440 nan 8.360 nan 0.000 0.491 1154 A N -1.074 121.686 122.820 -0.101 0.000 2.282 1154 A HA 0.689 5.013 4.320 0.006 0.000 0.324 1154 A C 0.729 178.276 177.584 -0.061 0.000 1.119 1154 A CA 0.147 52.136 52.037 -0.081 0.000 0.880 1154 A CB 1.203 20.137 19.000 -0.109 0.000 1.294 1154 A HN 0.040 nan 8.150 nan 0.000 0.493 1155 S N -1.014 114.664 115.700 -0.036 0.000 4.116 1155 S HA -0.208 4.266 4.470 0.006 0.000 0.623 1155 S C 0.915 175.519 174.600 0.007 0.000 1.933 1155 S CA 1.381 59.573 58.200 -0.014 0.000 4.224 1155 S CB -2.043 61.143 63.200 -0.022 0.000 0.208 1155 S HN 0.904 nan 8.310 nan 0.000 0.527 1156 D N 1.028 121.443 120.400 0.025 0.000 1.794 1156 D HA 0.430 5.073 4.640 0.006 0.000 0.292 1156 D C 0.703 177.065 176.300 0.102 0.000 1.061 1156 D CA 1.362 55.406 54.000 0.074 0.000 0.940 1156 D CB -0.678 40.180 40.800 0.097 0.000 1.238 1156 D HN 1.764 nan 8.370 nan 0.000 0.432 1157 A N -0.335 122.578 122.820 0.156 0.000 2.244 1157 A HA -0.065 4.258 4.320 0.006 0.000 0.605 1157 A C -0.808 176.964 177.584 0.313 0.000 0.381 1157 A CA 0.047 52.198 52.037 0.189 0.000 0.288 1157 A CB -1.817 17.245 19.000 0.104 0.000 3.501 1157 A HN 0.313 nan 8.150 nan 0.000 0.485 1158 F N 3.141 123.188 119.950 0.162 0.000 2.620 1158 F HA 0.856 5.386 4.527 0.006 0.000 0.320 1158 F C 0.054 175.923 175.800 0.116 0.000 1.069 1158 F CA -1.181 56.923 58.000 0.173 0.000 0.953 1158 F CB 1.460 40.625 39.000 0.275 0.000 1.322 1158 F HN 0.736 nan 8.300 nan 0.000 0.479 1159 R N 3.950 123.966 120.500 -0.807 0.000 2.360 1159 R HA 0.646 4.989 4.340 0.006 0.000 0.318 1159 R C -2.010 173.753 176.300 -0.894 0.000 0.950 1159 R CA -0.339 55.323 56.100 -0.731 0.000 0.837 1159 R CB 1.100 31.076 30.300 -0.540 0.000 1.165 1159 R HN 0.569 nan 8.270 nan 0.000 0.458 1160 V N 3.272 122.840 119.914 -0.577 0.000 2.994 1160 V HA 0.507 4.630 4.120 0.006 0.000 0.318 1160 V C 0.002 175.863 176.094 -0.388 0.000 1.085 1160 V CA -0.925 61.180 62.300 -0.325 0.000 0.998 1160 V CB 2.159 33.946 31.823 -0.061 0.000 1.063 1160 V HN 0.674 nan 8.190 nan 0.000 0.447 1161 H N 2.275 121.284 119.070 -0.101 0.000 2.466 1161 H HA 0.537 5.096 4.556 0.006 0.000 0.338 1161 H C -1.199 174.087 175.328 -0.070 0.000 1.091 1161 H CA -0.571 55.417 56.048 -0.099 0.000 1.207 1161 H CB 2.200 31.909 29.762 -0.089 0.000 1.466 1161 H HN 0.276 nan 8.280 nan 0.000 0.493 1162 I N 2.244 122.822 120.570 0.014 0.000 2.441 1162 I HA 0.045 4.218 4.170 0.006 0.000 0.295 1162 I C 0.669 176.792 176.117 0.010 0.000 0.994 1162 I CA -0.604 60.691 61.300 -0.009 0.000 1.144 1162 I CB 1.528 39.499 38.000 -0.049 0.000 1.314 1162 I HN 0.603 nan 8.210 nan 0.000 0.445 1163 C N 4.972 124.257 119.300 -0.025 0.000 2.539 1163 C HA 0.511 4.974 4.460 0.006 0.000 0.392 1163 C C 1.868 176.842 174.990 -0.027 0.000 1.269 1163 C CA 0.047 59.048 59.018 -0.029 0.000 2.250 1163 C CB 0.440 28.157 27.740 -0.040 0.000 2.584 1163 C HN 1.021 nan 8.230 nan 0.000 0.589 1164 G N 4.272 113.083 108.800 0.019 0.000 2.394 1164 G HA2 -0.019 3.945 3.960 0.006 0.000 0.215 1164 G HA3 -0.019 3.945 3.960 0.006 0.000 0.215 1164 G C 1.164 176.032 174.900 -0.055 0.000 1.165 1164 G CA 1.122 46.265 45.100 0.072 0.000 0.784 1164 G HN 0.760 nan 8.290 nan 0.000 0.535 1165 I N 1.718 122.260 120.570 -0.048 0.000 2.265 1165 I HA 0.016 4.190 4.170 0.006 0.000 0.225 1165 I C 1.621 177.667 176.117 -0.119 0.000 1.061 1165 I CA 0.149 61.423 61.300 -0.043 0.000 1.357 1165 I CB -1.840 36.158 38.000 -0.005 0.000 1.150 1165 I HN 0.198 nan 8.210 nan 0.000 0.402 1166 c N 2.014 120.562 118.600 -0.087 0.000 2.632 1166 c HA 0.525 5.098 4.570 0.006 0.000 0.415 1166 c C 1.499 175.478 174.090 -0.186 0.000 1.332 1166 c CA -0.815 55.454 56.329 -0.099 0.000 1.874 1166 c CB -0.418 42.065 42.510 -0.045 0.000 2.596 1166 c HN 0.685 nan 8.230 nan 0.000 0.590 1167 G N 2.828 111.486 108.800 -0.236 0.000 3.374 1167 G HA2 0.375 4.339 3.960 0.006 0.000 0.252 1167 G HA3 0.375 4.339 3.960 0.006 0.000 0.252 1167 G C 0.120 174.909 174.900 -0.185 0.000 1.326 1167 G CA -0.232 44.691 45.100 -0.296 0.000 1.133 1167 G HN 0.763 nan 8.290 nan 0.000 0.528 1168 L N -0.983 120.165 121.223 -0.125 0.000 2.332 1168 L HA 0.455 4.798 4.340 0.006 0.000 0.269 1168 L C 1.138 177.973 176.870 -0.058 0.000 1.016 1168 L CA -0.940 53.845 54.840 -0.091 0.000 0.809 1168 L CB 1.671 43.698 42.059 -0.054 0.000 1.280 1168 L HN 0.005 nan 8.230 nan 0.000 0.447 1169 M N 0.479 120.061 119.600 -0.031 0.000 2.866 1169 M HA 0.037 4.521 4.480 0.006 0.000 0.231 1169 M C 0.949 177.269 176.300 0.034 0.000 1.302 1169 M CA -0.001 55.308 55.300 0.015 0.000 1.083 1169 M CB -0.407 32.222 32.600 0.047 0.000 1.499 1169 M HN 0.736 nan 8.290 nan 0.000 0.451 1170 T N -0.147 114.417 114.554 0.017 0.000 2.674 1170 T HA -0.059 4.295 4.350 0.006 0.000 0.265 1170 T C 0.944 175.667 174.700 0.037 0.000 1.039 1170 T CA 0.617 62.731 62.100 0.023 0.000 1.150 1170 T CB -0.216 68.658 68.868 0.010 0.000 0.864 1170 T HN 0.262 nan 8.240 nan 0.000 0.427 1171 V N 3.154 123.091 119.914 0.038 0.000 2.800 1171 V HA -0.128 3.995 4.120 0.006 0.000 0.299 1171 V C 0.466 176.591 176.094 0.051 0.000 1.151 1171 V CA 0.508 62.836 62.300 0.047 0.000 1.297 1171 V CB -0.974 30.881 31.823 0.054 0.000 0.835 1171 V HN 0.390 nan 8.190 nan 0.000 0.484 1172 I N 4.884 125.480 120.570 0.042 0.000 2.241 1172 I HA 0.344 4.517 4.170 0.006 0.000 0.294 1172 I C 0.979 177.108 176.117 0.020 0.000 1.145 1172 I CA 0.042 61.360 61.300 0.030 0.000 1.261 1172 I CB 0.333 38.344 38.000 0.018 0.000 1.475 1172 I HN 0.689 nan 8.210 nan 0.000 0.533 1173 A N 6.176 128.991 122.820 -0.009 0.000 2.545 1173 A HA 0.186 4.509 4.320 0.006 0.000 0.297 1173 A C 0.460 178.002 177.584 -0.070 0.000 1.340 1173 A CA -0.266 51.737 52.037 -0.057 0.000 1.016 1173 A CB -0.364 18.375 19.000 -0.434 0.000 1.122 1173 A HN 0.633 nan 8.150 nan 0.000 0.537 1174 K N 3.374 123.707 120.400 -0.111 0.000 2.187 1174 K HA 0.301 4.624 4.320 0.006 0.000 0.242 1174 K C -0.324 176.191 176.600 -0.141 0.000 1.179 1174 K CA 0.040 56.263 56.287 -0.107 0.000 1.097 1174 K CB -0.036 32.393 32.500 -0.119 0.000 1.634 1174 K HN 0.699 nan 8.250 nan 0.000 0.335 1175 L N 1.347 122.523 121.223 -0.080 0.000 2.472 1175 L HA -0.014 4.329 4.340 0.006 0.000 0.260 1175 L C 1.410 178.255 176.870 -0.042 0.000 1.209 1175 L CA 0.156 54.956 54.840 -0.066 0.000 0.817 1175 L CB 0.194 42.258 42.059 0.008 0.000 1.106 1175 L HN 0.720 nan 8.230 nan 0.000 0.479 1176 N N -0.981 117.669 118.700 -0.084 0.000 2.366 1176 N HA -0.259 4.485 4.740 0.006 0.000 0.211 1176 N C 1.008 176.348 175.510 -0.283 0.000 1.174 1176 N CA 1.969 54.916 53.050 -0.172 0.000 2.731 1176 N CB -0.917 37.451 38.487 -0.197 0.000 0.831 1176 N HN 0.778 nan 8.380 nan 0.000 0.452 1177 H N 0.679 119.680 119.070 -0.116 0.000 2.553 1177 H HA 0.285 4.844 4.556 0.006 0.000 0.265 1177 H C 0.248 175.465 175.328 -0.186 0.000 0.964 1177 H CA 0.732 56.704 56.048 -0.126 0.000 1.156 1177 H CB 0.028 29.721 29.762 -0.116 0.000 1.411 1177 H HN 0.384 nan 8.280 nan 0.000 0.558 1178 N N 1.469 120.059 118.700 -0.184 0.000 2.776 1178 N HA -0.174 4.570 4.740 0.006 0.000 0.249 1178 N C -0.637 174.511 175.510 -0.604 0.000 1.111 1178 N CA 0.397 53.228 53.050 -0.364 0.000 0.711 1178 N CB -0.761 37.619 38.487 -0.179 0.000 1.065 1178 N HN 0.550 nan 8.380 nan 0.000 0.556 1179 Q N -0.981 118.452 119.800 -0.612 0.000 2.266 1179 Q HA 0.539 4.883 4.340 0.006 0.000 0.261 1179 Q C 0.242 175.801 176.000 -0.735 0.000 0.985 1179 Q CA -0.444 55.035 55.803 -0.539 0.000 0.873 1179 Q CB 1.011 29.603 28.738 -0.243 0.000 1.306 1179 Q HN 0.186 nan 8.270 nan 0.000 0.447 1180 F N -0.175 119.736 119.950 -0.065 0.000 2.347 1180 F HA 0.064 4.595 4.527 0.006 0.000 0.266 1180 F C -0.075 175.685 175.800 -0.066 0.000 0.884 1180 F CA -0.499 57.448 58.000 -0.090 0.000 1.123 1180 F CB 0.467 39.411 39.000 -0.093 0.000 1.098 1180 F HN 0.565 nan 8.300 nan 0.000 0.803 1181 E N 1.525 121.813 120.200 0.146 0.000 2.280 1181 E HA -0.322 4.032 4.350 0.006 0.000 0.315 1181 E C -0.734 175.896 176.600 0.050 0.000 1.847 1181 E CA 0.033 56.472 56.400 0.065 0.000 1.170 1181 E CB -1.557 28.155 29.700 0.020 0.000 0.678 1181 E HN 0.316 nan 8.360 nan 0.000 0.344 1182 C N 5.765 125.089 119.300 0.039 0.000 2.289 1182 C HA 0.267 4.731 4.460 0.006 0.000 0.340 1182 C C 0.740 175.738 174.990 0.014 0.000 1.152 1182 C CA -0.313 58.718 59.018 0.023 0.000 1.650 1182 C CB -0.809 26.938 27.740 0.012 0.000 2.203 1182 C HN 0.682 nan 8.230 nan 0.000 0.511 1183 K N 5.167 125.574 120.400 0.012 0.000 2.185 1183 K HA 0.592 4.915 4.320 0.006 0.000 0.271 1183 K C 1.128 177.731 176.600 0.006 0.000 1.013 1183 K CA 0.358 56.649 56.287 0.007 0.000 0.943 1183 K CB 0.749 33.252 32.500 0.005 0.000 0.998 1183 K HN 1.066 nan 8.250 nan 0.000 0.468 1184 G N 1.234 110.037 108.800 0.005 0.000 3.329 1184 G HA2 -0.406 3.558 3.960 0.006 0.000 0.220 1184 G HA3 -0.406 3.558 3.960 0.006 0.000 0.220 1184 G C 1.302 176.204 174.900 0.004 0.000 1.358 1184 G CA 0.276 45.379 45.100 0.005 0.000 0.856 1184 G HN 0.763 nan 8.290 nan 0.000 0.551 1185 c N 1.091 119.693 118.600 0.003 0.000 2.446 1185 c HA 0.337 4.910 4.570 0.006 0.000 0.279 1185 c C 0.812 174.904 174.090 0.003 0.000 1.366 1185 c CA 1.343 57.672 56.329 0.001 0.000 1.763 1185 c CB -1.338 41.170 42.510 -0.004 0.000 1.929 1185 c HN 0.770 nan 8.230 nan 0.000 0.509 1186 D N 1.632 122.035 120.400 0.004 0.000 3.293 1186 D HA -0.098 4.545 4.640 0.006 0.000 0.252 1186 D C -0.759 175.544 176.300 0.005 0.000 1.073 1186 D CA 0.843 54.846 54.000 0.005 0.000 0.957 1186 D CB -1.403 39.400 40.800 0.005 0.000 0.987 1186 D HN 0.670 nan 8.370 nan 0.000 0.422 1187 N N 0.499 119.203 118.700 0.007 0.000 2.331 1187 N HA 0.360 5.104 4.740 0.006 0.000 0.280 1187 N C 0.221 175.741 175.510 0.018 0.000 1.155 1187 N CA -0.461 52.593 53.050 0.006 0.000 0.822 1187 N CB 1.689 40.174 38.487 -0.003 0.000 1.619 1187 N HN 0.049 nan 8.380 nan 0.000 0.476 1188 K N 1.436 121.848 120.400 0.020 0.000 2.585 1188 K HA 0.307 4.630 4.320 0.006 0.000 0.210 1188 K C 0.799 177.436 176.600 0.061 0.000 1.504 1188 K CA 0.218 56.533 56.287 0.046 0.000 1.029 1188 K CB 0.932 33.450 32.500 0.030 0.000 1.332 1188 K HN 0.335 nan 8.250 nan 0.000 0.569 1189 I N 0.495 121.073 120.570 0.015 0.000 3.565 1189 I HA 0.017 4.191 4.170 0.006 0.000 0.287 1189 I C 0.334 176.396 176.117 -0.090 0.000 1.193 1189 I CA 0.206 61.500 61.300 -0.009 0.000 1.402 1189 I CB 0.429 38.423 38.000 -0.010 0.000 1.284 1189 I HN -0.066 nan 8.210 nan 0.000 0.454 1190 D N 2.305 122.650 120.400 -0.093 0.000 2.402 1190 D HA 0.433 5.077 4.640 0.006 0.000 0.235 1190 D C -0.670 175.506 176.300 -0.206 0.000 1.226 1190 D CA 0.431 54.339 54.000 -0.154 0.000 0.918 1190 D CB 0.151 40.918 40.800 -0.055 0.000 1.043 1190 D HN 0.083 nan 8.370 nan 0.000 0.506 1191 I N 3.130 123.444 120.570 -0.428 0.000 2.787 1191 I HA 0.301 4.475 4.170 0.006 0.000 0.294 1191 I C -1.540 174.211 176.117 -0.610 0.000 1.365 1191 I CA -0.717 60.350 61.300 -0.387 0.000 1.029 1191 I CB 1.516 39.306 38.000 -0.349 0.000 1.313 1191 I HN 0.175 nan 8.210 nan 0.000 0.431 1192 Y N 3.656 123.846 120.300 -0.184 0.000 2.570 1192 Y HA 0.550 5.103 4.550 0.006 0.000 0.345 1192 Y C -0.494 175.276 175.900 -0.216 0.000 1.014 1192 Y CA -0.631 57.364 58.100 -0.176 0.000 1.063 1192 Y CB 1.815 40.192 38.460 -0.139 0.000 1.272 1192 Y HN 0.357 nan 8.280 nan 0.000 0.477 1193 Q N 4.058 123.811 119.800 -0.079 0.000 2.327 1193 Q HA 0.537 4.880 4.340 0.006 0.000 0.270 1193 Q C -1.615 174.244 176.000 -0.235 0.000 1.022 1193 Q CA -0.815 54.801 55.803 -0.311 0.000 0.773 1193 Q CB 1.424 29.941 28.738 -0.369 0.000 1.251 1193 Q HN 0.719 nan 8.270 nan 0.000 0.457 1194 I N 1.224 121.627 120.570 -0.278 0.000 2.646 1194 I HA 0.496 4.669 4.170 0.006 0.000 0.299 1194 I C -1.362 174.603 176.117 -0.254 0.000 1.036 1194 I CA -0.647 60.542 61.300 -0.185 0.000 1.074 1194 I CB 1.916 39.868 38.000 -0.080 0.000 1.258 1194 I HN 0.715 nan 8.210 nan 0.000 0.430 1195 H N 6.821 125.859 119.070 -0.054 0.000 2.556 1195 H HA 0.573 5.133 4.556 0.006 0.000 0.310 1195 H C -0.169 175.168 175.328 0.013 0.000 1.057 1195 H CA -0.271 55.757 56.048 -0.034 0.000 1.264 1195 H CB 1.780 31.524 29.762 -0.029 0.000 1.404 1195 H HN 0.646 nan 8.280 nan 0.000 0.462 1196 I N 0.642 121.297 120.570 0.142 0.000 2.969 1196 I HA 0.508 4.681 4.170 0.006 0.000 0.307 1196 I C -3.164 173.059 176.117 0.177 0.000 1.149 1196 I CA -2.948 58.439 61.300 0.145 0.000 1.008 1196 I CB 2.343 40.435 38.000 0.153 0.000 1.232 1196 I HN 0.130 nan 8.210 nan 0.000 0.435 1197 P HA 0.009 nan 4.420 nan 0.000 0.265 1197 P C 0.059 177.459 177.300 0.166 0.000 1.187 1197 P CA 0.405 63.584 63.100 0.131 0.000 0.766 1197 P CB 0.308 32.039 31.700 0.052 0.000 0.820 1198 Y N 4.117 124.464 120.300 0.078 0.000 2.165 1198 Y HA -0.272 4.282 4.550 0.007 0.000 0.286 1198 Y C 2.271 178.143 175.900 -0.048 0.000 1.155 1198 Y CA 2.246 60.343 58.100 -0.006 0.000 1.164 1198 Y CB -0.878 37.510 38.460 -0.120 0.000 0.978 1198 Y HN 0.443 nan 8.280 nan 0.000 0.513 1199 A N 0.687 123.531 122.820 0.039 0.000 1.869 1199 A HA -0.304 4.019 4.320 0.006 0.000 0.218 1199 A C 2.495 179.957 177.584 -0.203 0.000 1.203 1199 A CA 2.747 54.743 52.037 -0.068 0.000 0.638 1199 A CB -1.738 17.250 19.000 -0.019 0.000 0.831 1199 A HN 0.644 nan 8.150 nan 0.000 0.450 1200 A N -0.247 122.453 122.820 -0.201 0.000 1.873 1200 A HA -0.269 4.055 4.320 0.006 0.000 0.218 1200 A C 2.194 179.523 177.584 -0.425 0.000 1.193 1200 A CA 2.514 54.316 52.037 -0.393 0.000 0.629 1200 A CB -0.596 18.243 19.000 -0.267 0.000 0.826 1200 A HN 0.517 nan 8.150 nan 0.000 0.447 1201 K N -0.374 119.925 120.400 -0.168 0.000 2.074 1201 K HA -0.172 4.152 4.320 0.006 0.000 0.209 1201 K C 1.928 178.413 176.600 -0.191 0.000 1.048 1201 K CA 1.641 57.892 56.287 -0.061 0.000 0.926 1201 K CB -0.557 31.903 32.500 -0.067 0.000 0.713 1201 K HN 0.383 nan 8.250 nan 0.000 0.444 1202 L N 1.592 122.579 121.223 -0.393 0.000 1.955 1202 L HA -0.207 4.137 4.340 0.006 0.000 0.213 1202 L C 2.713 179.491 176.870 -0.153 0.000 1.072 1202 L CA 1.599 56.269 54.840 -0.283 0.000 0.755 1202 L CB -1.295 40.608 42.059 -0.259 0.000 0.888 1202 L HN 0.326 nan 8.230 nan 0.000 0.432 1203 L N -0.368 120.733 121.223 -0.203 0.000 2.064 1203 L HA -0.309 4.035 4.340 0.006 0.000 0.216 1203 L C 2.356 179.174 176.870 -0.087 0.000 1.077 1203 L CA 2.105 56.825 54.840 -0.200 0.000 0.766 1203 L CB -0.736 41.109 42.059 -0.357 0.000 0.890 1203 L HN 0.180 nan 8.230 nan 0.000 0.435 1204 F N -1.121 118.802 119.950 -0.045 0.000 2.163 1204 F HA -0.165 4.365 4.527 0.006 0.000 0.297 1204 F C 2.613 178.396 175.800 -0.028 0.000 1.094 1204 F CA 0.894 58.877 58.000 -0.029 0.000 1.290 1204 F CB -0.203 38.783 39.000 -0.024 0.000 1.017 1204 F HN 0.155 nan 8.300 nan 0.000 0.483 1205 Q N 0.444 120.332 119.800 0.146 0.000 2.050 1205 Q HA -0.232 4.112 4.340 0.006 0.000 0.202 1205 Q C 1.988 178.018 176.000 0.050 0.000 0.980 1205 Q CA 1.716 57.560 55.803 0.069 0.000 0.840 1205 Q CB -0.213 28.534 28.738 0.016 0.000 0.898 1205 Q HN 0.484 nan 8.270 nan 0.000 0.424 1206 E N 0.457 120.676 120.200 0.030 0.000 2.058 1206 E HA -0.195 4.159 4.350 0.006 0.000 0.194 1206 E C 2.058 178.682 176.600 0.039 0.000 0.997 1206 E CA 0.932 57.345 56.400 0.022 0.000 0.801 1206 E CB -0.079 29.622 29.700 0.000 0.000 0.746 1206 E HN 0.291 nan 8.360 nan 0.000 0.450 1207 L N 0.131 121.394 121.223 0.067 0.000 2.012 1207 L HA -0.245 4.099 4.340 0.006 0.000 0.210 1207 L C 2.606 179.513 176.870 0.062 0.000 1.073 1207 L CA 1.133 56.018 54.840 0.076 0.000 0.748 1207 L CB -0.341 41.795 42.059 0.128 0.000 0.891 1207 L HN 0.274 nan 8.230 nan 0.000 0.431 1208 M N -0.552 119.089 119.600 0.067 0.000 2.082 1208 M HA -0.244 4.240 4.480 0.006 0.000 0.258 1208 M C 2.286 178.606 176.300 0.033 0.000 1.071 1208 M CA 2.202 57.528 55.300 0.044 0.000 1.103 1208 M CB -0.457 32.168 32.600 0.042 0.000 1.307 1208 M HN 0.311 nan 8.290 nan 0.000 0.409 1209 A N -0.904 121.936 122.820 0.032 0.000 2.259 1209 A HA -0.117 4.207 4.320 0.006 0.000 0.212 1209 A C 1.845 179.442 177.584 0.022 0.000 1.178 1209 A CA 1.040 53.092 52.037 0.025 0.000 0.734 1209 A CB -0.718 18.296 19.000 0.023 0.000 0.774 1209 A HN 0.609 nan 8.150 nan 0.000 0.481 1210 M N -0.408 119.207 119.600 0.025 0.000 2.560 1210 M HA 0.184 4.667 4.480 0.006 0.000 0.297 1210 M C 0.126 176.440 176.300 0.022 0.000 1.201 1210 M CA -0.092 55.221 55.300 0.022 0.000 0.973 1210 M CB -0.011 32.603 32.600 0.023 0.000 1.401 1210 M HN 0.461 nan 8.290 nan 0.000 0.497 1211 N N 1.992 120.706 118.700 0.022 0.000 2.726 1211 N HA -0.163 4.581 4.740 0.006 0.000 0.253 1211 N C -1.571 173.952 175.510 0.022 0.000 1.059 1211 N CA 0.728 53.790 53.050 0.020 0.000 0.701 1211 N CB -0.778 37.719 38.487 0.016 0.000 0.899 1211 N HN 0.496 nan 8.380 nan 0.000 0.548 1212 I N 0.900 121.486 120.570 0.027 0.000 2.656 1212 I HA 0.153 4.327 4.170 0.006 0.000 0.292 1212 I C 0.200 176.333 176.117 0.026 0.000 1.144 1212 I CA -0.667 60.651 61.300 0.029 0.000 1.038 1212 I CB 2.205 40.228 38.000 0.038 0.000 1.244 1212 I HN 0.152 nan 8.210 nan 0.000 0.420 1213 T N 2.220 116.785 114.554 0.017 0.000 3.029 1213 T HA 0.469 4.822 4.350 0.006 0.000 0.346 1213 T C -2.498 172.193 174.700 -0.014 0.000 1.211 1213 T CA -1.783 60.317 62.100 0.001 0.000 1.009 1213 T CB 0.400 69.271 68.868 0.004 0.000 1.084 1213 T HN 0.248 nan 8.240 nan 0.000 0.536 1214 P HA 0.342 nan 4.420 nan 0.000 0.226 1214 P C -0.105 177.063 177.300 -0.219 0.000 1.832 1214 P CA -0.638 62.398 63.100 -0.107 0.000 1.092 1214 P CB 0.150 31.791 31.700 -0.097 0.000 1.873 1215 R N 1.960 122.405 120.500 -0.091 0.000 2.489 1215 R HA 0.311 4.655 4.340 0.006 0.000 0.287 1215 R C -0.055 176.210 176.300 -0.059 0.000 1.053 1215 R CA -0.364 55.698 56.100 -0.062 0.000 1.036 1215 R CB 0.304 30.663 30.300 0.099 0.000 0.966 1215 R HN 0.355 nan 8.270 nan 0.000 0.432 1216 L N 4.334 125.462 121.223 -0.157 0.000 2.276 1216 L HA 0.348 4.691 4.340 0.006 0.000 0.286 1216 L C -0.755 176.031 176.870 -0.139 0.000 1.024 1216 L CA -0.421 54.337 54.840 -0.136 0.000 0.826 1216 L CB 0.419 42.347 42.059 -0.219 0.000 1.211 1216 L HN 0.463 nan 8.230 nan 0.000 0.422 1217 Y N 0.848 121.072 120.300 -0.127 0.000 2.534 1217 Y HA 0.375 4.929 4.550 0.006 0.000 0.329 1217 Y C 1.342 177.133 175.900 -0.182 0.000 1.154 1217 Y CA -0.458 57.558 58.100 -0.140 0.000 1.192 1217 Y CB 1.980 40.380 38.460 -0.100 0.000 1.275 1217 Y HN 0.545 nan 8.280 nan 0.000 0.491 1218 T N -1.472 113.015 114.554 -0.112 0.000 3.038 1218 T HA 0.044 4.397 4.350 0.006 0.000 0.244 1218 T C -0.555 174.065 174.700 -0.133 0.000 1.016 1218 T CA 0.156 62.108 62.100 -0.247 0.000 1.098 1218 T CB -0.114 68.353 68.868 -0.668 0.000 0.954 1218 T HN 0.606 nan 8.240 nan 0.000 0.469 1219 D N 1.085 121.445 120.400 -0.067 0.000 2.198 1219 D HA 0.355 4.999 4.640 0.006 0.000 0.245 1219 D C 1.044 177.337 176.300 -0.012 0.000 1.079 1219 D CA -0.851 53.131 54.000 -0.030 0.000 0.854 1219 D CB 1.145 41.940 40.800 -0.009 0.000 1.148 1219 D HN -0.317 nan 8.370 nan 0.000 0.456 1220 R N 1.372 121.864 120.500 -0.013 0.000 2.113 1220 R HA -0.087 4.256 4.340 0.006 0.000 0.244 1220 R C 0.313 176.603 176.300 -0.016 0.000 1.142 1220 R CA 0.814 56.906 56.100 -0.013 0.000 0.953 1220 R CB -0.548 29.748 30.300 -0.007 0.000 0.860 1220 R HN 0.516 nan 8.270 nan 0.000 0.438 1221 S N 0.087 115.782 115.700 -0.008 0.000 2.573 1221 S HA 0.069 4.543 4.470 0.006 0.000 0.277 1221 S C 1.145 175.731 174.600 -0.023 0.000 1.346 1221 S CA -0.176 58.022 58.200 -0.004 0.000 1.034 1221 S CB 1.161 64.368 63.200 0.012 0.000 0.879 1221 S HN 0.201 nan 8.310 nan 0.000 0.528 1222 R N 1.247 121.737 120.500 -0.017 0.000 1.583 1222 R HA 0.222 4.565 4.340 0.006 0.000 0.123 1222 R C 0.183 176.475 176.300 -0.015 0.000 1.213 1222 R CA 0.201 56.277 56.100 -0.040 0.000 1.768 1222 R CB 0.005 30.293 30.300 -0.020 0.000 0.787 1222 R HN 0.534 nan 8.270 nan 0.000 0.619 1223 D N -1.918 118.503 120.400 0.035 0.000 2.412 1223 D HA 0.100 4.744 4.640 0.006 0.000 0.326 1223 D C -0.489 175.856 176.300 0.075 0.000 1.209 1223 D CA -0.158 53.867 54.000 0.041 0.000 0.876 1223 D CB 0.421 41.233 40.800 0.019 0.000 1.344 1223 D HN -0.032 nan 8.370 nan 0.000 0.503 1224 F N 0.000 119.934 119.950 -0.026 0.000 2.286 1224 F HA 0.000 4.531 4.527 0.006 0.000 0.279 1224 F CA 0.000 57.989 58.000 -0.019 0.000 1.383 1224 F CB 0.000 38.988 39.000 -0.021 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574